A0A087XWW6_POEFO Loading...

Complex I assembly factor ACAD9, mitochondrial

As part of the MCIA complex, primarily participates in the assembly of the mitochondrial complex I and therefore plays a role in oxidative phosphorylation. This moonlighting protein also has a dehydrogenase activity toward a broad range of substrates with greater specificity for long-chain unsaturated acyl-CoAs. However, in vivo, it does not seem to play a primary role in fatty acid oxidation. In addition, the function in complex I assembly is independent of the dehydrogenase activity of the protein.

AlphaFold DB , UniProt , Accession A0A087XWW6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	28.3	Very low	247 Å²	247	162.6 Å²	162.6	100%	1.217	87%	0.865	S	S	*	*				0	138.2	0	-95.4	169.7	158.7	0	0	108.4
2	N	26.1	Very low	28.1	Very low	175 Å²	175	156.3 Å²	156.3	94%	0.936	85%	0.852	S	S	*	*			trans	-63.9	140.7	-158.4	-100.9	-26.4	0	0	0	115.8
3	V	29.2	Very low	28.1	Very low	130 Å²	130	160 Å²	160	79%	0.788	86%	0.856	S	S	*	*			trans	-89.4	111.1	167.5	178.5	0	0	0	0	107.4
4	N	32.3	Very low	28.4	Very low	156 Å²	156	156.7 Å²	156.7	83%	0.834	85%	0.847	S	S	*	*			trans	175.4	100	155	-94.7	-16.5	0	0	0	110.8
5	S	31.2	Very low	29.2	Very low	101 Å²	101	163.2 Å²	163.2	71%	0.706	86%	0.855	S	S	*	*			trans	-177.7	109.9	152	47.9	0	0	0	0	108.9
6	F	26.9	Very low	29.3	Very low	198 Å²	198	157.9 Å²	157.9	87%	0.868	85%	0.852	S	S	*	*				163.2	97.8	118.2	-96.5	-81.3	0	0	0	110.8
7	L	27.5	Very low	29.6	Very low	178 Å²	178	160.4 Å²	160.4	93%	0.932	85%	0.853	S	S	*	*			trans	-143.3	108	154.8	-107.9	164.7	0	0	0	106.5
8	A	25.9	Very low	29.9	Very low	86 Å²	86	160.8 Å²	160.8	71%	0.711	86%	0.856	S	S	*	*			trans	154.3	112.4	142.2	0	0	0	0	0	110.3
9	L	26.1	Very low	29.8	Very low	181 Å²	181	164.6 Å²	164.6	95%	0.948	86%	0.857	S	S	*	*				-167.4	131.3	125.3	-101.8	156.5	0	0	0	109.7
10	S	25.4	Very low	29.9	Very low	93 Å²	93	164.5 Å²	164.5	65%	0.65	86%	0.857	S	S	*	*			trans	-106.6	149.6	-170.5	61.8	0	0	0	0	111.8
11	R	26.9	Very low	30	Very low	244 Å²	244	162.3 Å²	162.3	92%	0.921	85%	0.85	S	S	*	*			trans	76.9	119.6	149	-67.4	169.5	179.6	-163.9	1.1	118.9
12	A	25.7	Very low	29.9	Very low	87 Å²	87	155.4 Å²	155.4	72%	0.719	83%	0.825	S	S	*	*				-179.5	155.5	95.3	0	0	0	0	0	113.2
13	F	28	Very low	30	Very low	204 Å²	204	153.4 Å²	153.4	90%	0.895	81%	0.81	S	S	*	*			trans	91.7	146.5	164.3	-77.3	-75.4	0	0	0	120.3
14	P	33	Very low	30.2	Very low	114 Å²	114	150.8 Å²	150.8	74%	0.74	80%	0.802	S	S	*	*				-122.7	171	-106	40.5	-25.7	0	0	0	115.6
15	R	39.4	Very low	30.3	Very low	254 Å²	254	152.9 Å²	152.9	96%	0.958	80%	0.798	S	S	*	*			trans	-23.4	121.3	170.3	-74.4	173.5	170.6	168.5	-3.4	116.6
16	G	31.3	Very low	30.3	Very low	79 Å²	79	154 Å²	154	81%	0.814	79%	0.792	S	S	*	*			trans	-168	61.7	164	0	0	0	0	0	112
17	K	34.4	Very low	30.7	Very low	200 Å²	200	150.3 Å²	150.3	87%	0.87	78%	0.781	S	S	*	*			trans	-127.5	97.8	171.8	-82.7	-173.1	175.9	-176.4	0	109.1
18	N	34.4	Very low	30.9	Very low	168 Å²	168	144.5 Å²	144.5	90%	0.898	76%	0.764	S	S	*	*	S	Bend	trans	-166.9	36.4	158.7	-105.1	3.4	0	0	0	113.1
19	R	28.9	Very low	31.3	Very low	233 Å²	233	146.6 Å²	146.6	88%	0.879	76%	0.757	S	S	*	*	S	Bend	trans	-137	-1.1	177.1	-94.4	-172.4	176	-175	-1.6	116.9
20	L	30.7	Very low	31.4	Very low	162 Å²	162	146.2 Å²	146.2	85%	0.848	75%	0.75	S	S	*	*	S	Bend	trans	-98.5	-12.8	-176.4	-84.8	153.5	0	0	0	114.9
21	V	33.8	Very low	31.7	Very low	118 Å²	118	145.6 Å²	145.6	72%	0.715	75%	0.75	S	S	*	*	S	Bend	trans	-87.2	-24.4	-179.9	-172.4	0	0	0	0	112.4	H23	V21-H23 VanDerWaalsContact C-N 3.28Å; V21-H23 PolarHBondContact O-N 3.11Å
22	C	30.1	Very low	32.3	Very low	102 Å²	102	140 Å²	140	69%	0.689	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-12.5	176.9	-90.9	0	0	0	0	114.9
23	H	27.8	Very low	32.5	Very low	133 Å²	133	147.3 Å²	147.3	62%	0.616	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-22.8	-178.6	-103.7	30	0	0	0	114.2	V21 W25 H26 L27	V21-H23 VanDerWaalsContact C-N 3.28Å; V21-H23 PolarHBondContact O-N 3.11Å; H23-W25 VanDerWaalsContact C-N 3.29Å; H23-W25 PolarHBondContact O-N 2.83Å; H23-H26 PolarHBondContact O-N 3.21Å; H23-L27 PolarHBondContact O-N 2.87Å
24	A	33.5	Very low	32.7	Very low	76 Å²	76	143.2 Å²	143.2	63%	0.628	74%	0.739	S	S	*	*	H	α-helix	trans	-67.1	-33.9	172.8	0	0	0	0	0	111.7	H26	A24-H26 VanDerWaalsContact C-N 3.3Å; A24-H26 PolarHBondContact O-N 3.5Å
25	W	36.1	Very low	32.6	Very low	200 Å²	200	146.6 Å²	146.6	76%	0.758	74%	0.744	S	S	*	*	H	α-helix	trans	-72.7	-16.8	-179.7	-124.4	65.8	0	0	0	114.5	H23	H23-W25 VanDerWaalsContact C-N 3.29Å; H23-W25 PolarHBondContact O-N 2.83Å
26	H	31.3	Very low	32.2	Very low	125 Å²	125	142.8 Å²	142.8	58%	0.579	74%	0.738	S	S	*	*	H	α-helix	trans	-99.9	-24.7	177.5	-86.1	-6.6	0	0	0	114	H23 A24 K29	H23-H26 PolarHBondContact O-N 3.21Å; A24-H26 VanDerWaalsContact C-N 3.3Å; A24-H26 PolarHBondContact O-N 3.5Å; H26-K29 PolarHBondContact O-N 3.43Å
27	L	33.5	Very low	32.4	Very low	119 Å²	119	149.1 Å²	149.1	62%	0.623	74%	0.737	S	S	*	*	H	α-helix	trans	-72.7	-30	175.4	-73.7	164.1	0	0	0	112.4	H23 K29 Q30	H23-L27 PolarHBondContact O-N 2.87Å; L27-K29 PolarHBondContact O-N 3.37Å; L27-Q30 PolarHBondContact O-N 2.8Å
28	G	32.7	Very low	32.5	Very low	56 Å²	56	148.3 Å²	148.3	58%	0.577	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.8	173.3	0	0	0	0	0	114.8
29	K	33.1	Very low	32.3	Very low	131 Å²	131	145.3 Å²	145.3	57%	0.57	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-11.8	177.3	-79.9	-171.9	175.8	-176.9	0	114.1	H26 L27 L32	H26-K29 PolarHBondContact O-N 3.43Å; L27-K29 PolarHBondContact O-N 3.37Å; K29-L32 HydrophobicContact CB-CD1 4.26Å; K29-L32 HydrophobicContact CG-CD1 4.25Å; K29-L32 WeakPolarHBondContact O-CD1 3.37Å
30	Q	29.2	Very low	32.5	Very low	173 Å²	173	141.8 Å²	141.8	81%	0.808	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-7.7	179.6	-89.5	-176.9	-13.6	0	0	114.5	L27 L32	L27-Q30 PolarHBondContact O-N 2.8Å; Q30-L32 PolarHBondContact O-N 3.19Å
31	A	31.8	Very low	32.7	Very low	79 Å²	79	143.3 Å²	143.3	65%	0.653	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	3.3	168	0	0	0	0	0	113.5	R33	A31-R33 PolarHBondContact O-N 2.94Å
32	L	39.1	Very low	33	Very low	126 Å²	126	143.2 Å²	143.2	66%	0.66	71%	0.708	S	S	*	*			trans	-77.9	76.8	-179.9	-76.7	165.6	0	0	0	111.8	K29 Q30	K29-L32 HydrophobicContact CB-CD1 4.26Å; K29-L32 HydrophobicContact CG-CD1 4.25Å; K29-L32 WeakPolarHBondContact O-CD1 3.37Å; Q30-L32 PolarHBondContact O-N 3.19Å
33	R	30.9	Very low	33.2	Very low	242 Å²	242	146.9 Å²	146.9	91%	0.913	71%	0.714	S	S	*	*			trans	-172.3	56.3	154.2	-109.5	175.5	-166	-153.2	4.9	113.4	A31	A31-R33 PolarHBondContact O-N 2.94Å
34	V	31.8	Very low	33.9	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.715	70%	0.704	S	S	*	*			trans	-129.9	80.6	156.8	-173.7	0	0	0	0	108.4	Q36	V34-Q36 PolarHBondContact O-N 3.02Å; V34-Q36 VanDerWaalsContact O-N 3.15Å
35	Q	31.5	Very low	34.7	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	71%	0.708	S	S	*	*			trans	-78.3	92.2	171.8	-120.3	179.1	0.7	0	0	108.5
36	Q	30.6	Very low	35.7	Very low	175 Å²	175	143.9 Å²	143.9	82%	0.818	71%	0.706	S	S	*	*			trans	-107.3	101	152.3	-95.5	-172.1	3.2	0	0	108.4	V34 R38	V34-Q36 PolarHBondContact O-N 3.02Å; V34-Q36 VanDerWaalsContact O-N 3.15Å; Q36-R38 PolarHBondContact O-N 3.29Å
37	R	34.9	Very low	37.4	Very low	212 Å²	212	138.2 Å²	138.2	80%	0.8	68%	0.679	S	S	*	*			trans	-50.8	113.2	163.4	-74.2	177.4	172.5	-180	-3.1	107.5	T39	R37-T39 VanDerWaalsContact C-N 3.25Å; R37-T39 PolarHBondContact O-N 3.32Å
38	R	37.6	Very low	39.4	Very low	183 Å²	183	133.1 Å²	133.1	69%	0.691	65%	0.654	S	S	*	*			trans	-58.7	95.2	165.1	-72.7	-177.7	176.6	168.7	-0.4	106.6	Q36 I40	Q36-R38 PolarHBondContact O-N 3.29Å; R38-I40 PolarHBondContact O-N 3.48Å
39	T	29.1	Very low	42.2	Very low	105 Å²	105	130.4 Å²	130.4	64%	0.644	63%	0.627	S	S	*	*			trans	-71.9	121.1	-178.5	34	0	0	0	0	108	R37 R41	R37-T39 VanDerWaalsContact C-N 3.25Å; R37-T39 PolarHBondContact O-N 3.32Å; T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.99Å
40	I	34.4	Very low	45.2	Very low	158 Å²	158	124.2 Å²	124.2	81%	0.81	60%	0.6	S	S	*	*			trans	-64.9	92.9	171.1	-60.2	172.3	0	0	0	106.8	R38	R38-I40 PolarHBondContact O-N 3.48Å
41	R	34.3	Very low	48.3	Very low	195 Å²	195	117.7 Å²	117.7	74%	0.736	57%	0.569	S	S	*	*			trans	-68.6	131.2	168.2	-75.8	-174.3	175.5	-175.9	-0.3	108.3	T39 H43	T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.99Å; R41-H43 PolarHBondContact O-N 2.85Å
42	T	39.9	Very low	51.4	Low	116 Å²	116	114.8 Å²	114.8	71%	0.712	54%	0.542	S	S	*	.	S	Bend	trans	-87.6	14.1	-159.6	42.1	0	0	0	0	116.4
43	H	33.7	Very low	54.1	Low	178 Å²	178	108.8 Å²	108.8	82%	0.824	51%	0.511	S	S	*	.			trans	-139.7	107.3	171.6	-65.8	-61.1	0	0	0	111.8	R41	R41-H43 PolarHBondContact O-N 2.85Å
44	S	42.1	Very low	57.3	Low	58 Å²	58	97.3 Å²	97.3	41%	0.406	47%	0.468	S	S	.	.			trans	-74	126.5	169.8	-171.5	0	0	0	0	109.2	S46	S44-S46 PolarHBondContact O-N 3.45Å
45	R	51.5	Low	60.3	Low	187 Å²	187	93 Å²	93	71%	0.706	44%	0.44	S	S	*	.			trans	-61.2	135.1	155.6	-73.5	-177.2	178.4	176.3	0.8	107	L47	R45-L47 PolarHBondContact O-N 2.86Å
46	S	57.2	Low	63.3	Low	102 Å²	102	84.4 Å²	84.4	71%	0.713	40%	0.401	S	S	*	.			trans	-71.5	100.3	170.8	176.5	0	0	0	0	107.4	S44 A48	S44-S46 PolarHBondContact O-N 3.45Å; S46-A48 PolarHBondContact O-N 2.88Å
47	L	66.6	Low	66.3	Low	6 Å²	6	80 Å²	80	3%	0.031	38%	0.38	C	S	.	.			trans	-61	126.5	170.6	-60.1	-166.7	0	0	0	108.4	R45 E62 M375 P382	R45-L47 PolarHBondContact O-N 2.86Å; L47-E62 VanDerWaalsContact CD2-CD 3.46Å; L47-E62 HydrophobicContact CD2-CG 4.25Å; L47-E62 WeakPolarHBondContact CD2-OE2 3.34Å; L47-M375 HydrophobicContact CD1-CB 4.05Å; L47-M375 HydrophobicContact CD1-CE 4.23Å; L47-P382 HydrophobicContact CD1-CB 3.32Å; L47-P382 HydrophobicContact CG-CB 3.9Å
48	A	74.6	Confident	69.2	Low	11 Å²	11	70.8 Å²	70.8	9%	0.091	35%	0.347	C	S	.	.			trans	-142.2	24.3	-176	0	0	0	0	0	111.5	S46 A50 K51 D52	S46-A48 PolarHBondContact O-N 2.88Å; A48-A50 PolarHBondContact O-N 3.11Å; A48-K51 HydrophobicContact CB-CB 4.27Å; A48-K51 CarbonylContact O-C 3.46Å; A48-K51 WeakPolarHBondContact O-CA 3.43Å; A48-K51 WeakPolarHBondContact O-CB 3.37Å; A48-K51 PolarHBondContact O-N 2.97Å; A48-D52 PolarHBondContact O-N 2.83Å
49	Y	93.1	Very high	71.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-54.4	-56.2	-170.1	-179.9	-97	0	0	0	112.4	K51 D52 L53 I58 N59 V63 Y550 T553	Y49-K51 PolarHBondContact O-N 2.79Å; Y49-D52 PolarHBondContact O-N 2.83Å; Y49-L53 HydrophobicContact CE1-CD1 3.93Å; Y49-L53 HydrophobicContact CE1-CD2 4.36Å; Y49-L53 HydrophobicContact CE1-CG 4.26Å; Y49-L53 PolarHBondContact O-N 3.03Å; Y49-I58 HydrophobicContact CE2-CG2 4.16Å; Y49-N59 HydrophobicContact CD2-CB 4.38Å; Y49-V63 HydrophobicContact CD1-CG1 3.86Å; Y49-V63 HydrophobicContact CD2-CB 4.44Å; Y49-V63 HydrophobicContact CD2-CG1 3.67Å; Y49-V63 HydrophobicContact CD2-CG2 3.82Å; Y49-V63 HydrophobicContact CE1-CG1 4.13Å; Y49-V63 HydrophobicContact CE2-CB 4.35Å; Y49-V63 HydrophobicContact CE2-CG1 3.95Å; Y49-V63 HydrophobicContact CE2-CG2 3.41Å; Y49-V63 VanDerWaalsContact CE2-CG2 3.41Å; Y49-V63 HydrophobicContact CG-CG1 3.64Å; Y49-Y550 AromaticContact CD1-CD2 3.98Å; Y49-Y550 HydrophobicContact CD1-CD2 3.98Å; Y49-Y550 HydrophobicContact CD1-CE2 4.14Å; Y49-Y550 AromaticContact CE1-CD2 3.88Å; Y49-Y550 HydrophobicContact CE1-CD2 3.88Å; Y49-Y550 HydrophobicContact CE1-CE2 4.34Å; Y49-T553 HydrophobicContact CE1-CG2 3.92Å; Y49-T553 HydrophobicContact CE2-CG2 4.42Å; Y49-T553 WeakPolarHBondContact OH-CB 3.37Å; Y49-T553 WeakPolarHBondContact OH-CG2 3.32Å; Y49-T553 PolarHBondContact OH-OG1 2.8Å
50	A	95.6	Very high	74.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-31.6	178	0	0	0	0	0	112.8	A48 F54 L386 E387 M390	A48-A50 PolarHBondContact O-N 3.11Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-L386 HydrophobicContact CB-CB 3.82Å; A50-L386 HydrophobicContact CB-CD1 4.15Å; A50-E387 HydrophobicContact CB-CG 4.26Å; A50-E387 VanDerWaalsContact CB-OE1 3.24Å; A50-E387 WeakPolarHBondContact CB-OE1 3.44Å; A50-E387 PolarHBondContact N-OE1 3.1Å; A50-M390 HydrophobicContact CB-CE 3.63Å
51	K	94.9	Very high	77.5	Confident	37 Å²	37	57.9 Å²	57.9	16%	0.161	30%	0.295	C	S	.	.	H	α-helix	trans	-72.3	-37	178.1	-67.6	178.4	177.6	170.8	0	112.1	A48 Y49 L53 F54 D383 L386 Y452	A48-K51 HydrophobicContact CB-CB 4.27Å; A48-K51 CarbonylContact O-C 3.46Å; A48-K51 WeakPolarHBondContact O-CA 3.43Å; A48-K51 WeakPolarHBondContact O-CB 3.37Å; A48-K51 PolarHBondContact O-N 2.97Å; Y49-K51 PolarHBondContact O-N 2.79Å; K51-L53 VanDerWaalsContact C-N 3.26Å; K51-L53 PolarHBondContact O-N 3.24Å; K51-F54 WeakPolarHBondContact O-CB 3.32Å; K51-F54 PolarHBondContact O-N 3.38Å; K51-D383 IonicContact NZ-OD2 2.72Å; K51-D383 PolarHBondContact NZ-OD2 2.87Å; K51-L386 HydrophobicContact CG-CD1 3.64Å; K51-Y452 HydrophobicContact CB-CD1 3.62Å; K51-Y452 HydrophobicContact CB-CD2 4.25Å; K51-Y452 HydrophobicContact CB-CE1 3.77Å; K51-Y452 HydrophobicContact CB-CE2 4.38Å; K51-Y452 HydrophobicContact CB-CG 3.87Å; K51-Y452 HydrophobicContact CD-CD2 3.87Å; K51-Y452 HydrophobicContact CD-CE2 4.3Å; K51-Y452 HydrophobicContact CD-CG 4.06Å; K51-Y452 HydrophobicContact CG-CD1 4.42Å; K51-Y452 HydrophobicContact CG-CD2 4.48Å; K51-Y452 HydrophobicContact CG-CG 4.21Å
52	D	94.8	Very high	80.2	Confident	18 Å²	18	49.2 Å²	49.2	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-30	177.6	-70.2	-22.2	0	0	0	111.7	A48 Y49 F54 L55 G56 Q57 N59 Y452	A48-D52 PolarHBondContact O-N 2.83Å; Y49-D52 PolarHBondContact O-N 2.83Å; D52-F54 VanDerWaalsContact C-N 3.28Å; D52-F54 PolarHBondContact O-N 2.53Å; D52-L55 WeakPolarHBondContact O-CA 3.43Å; D52-L55 WeakPolarHBondContact O-CB 3.47Å; D52-L55 PolarHBondContact O-N 2.96Å; D52-G56 PolarHBondContact O-N 2.87Å; D52-Q57 CarbonylContact C-O 3.53Å; D52-Q57 HydrophobicContact CB-CB 4.36Å; D52-Q57 PolarHBondContact O-N 3.43Å; D52-Q57 VanDerWaalsContact O-N 3.11Å; D52-N59 WeakPolarHBondContact OD2-CB 3.26Å; D52-Y452 PolarHBondContact OD1-OH 3.07Å
53	L	97.2	Very high	82.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-35.5	174	-62.3	-177.7	0	0	0	112.4	Y49 K51 L55 G56 I58 V514 F517 L546 L549	Y49-L53 HydrophobicContact CE1-CD1 3.93Å; Y49-L53 HydrophobicContact CE1-CD2 4.36Å; Y49-L53 HydrophobicContact CE1-CG 4.26Å; Y49-L53 PolarHBondContact O-N 3.03Å; K51-L53 VanDerWaalsContact C-N 3.26Å; K51-L53 PolarHBondContact O-N 3.24Å; L53-L55 PolarHBondContact O-N 2.79Å; L53-G56 PolarHBondContact O-N 2.99Å; L53-I58 HydrophobicContact CD2-CG1 4.29Å; L53-V514 HydrophobicContact CD2-CG1 3.99Å; L53-V514 HydrophobicContact CD2-CG2 3.82Å; L53-F517 WeakPolarHBondContact O-CD1 3.12Å; L53-L546 HydrophobicContact CB-CD1 3.73Å; L53-L546 HydrophobicContact CD1-CD1 3.87Å; L53-L546 HydrophobicContact CG-CD1 4.44Å; L53-L549 HydrophobicContact CD1-CB 4.01Å
54	F	97.1	Very high	85.8	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.6	174	-76.7	-99.9	0	0	0	113	A50 K51 D52 G56 G449 M450 A453 F517 V521 V542 L546	A50-F54 WeakPolarHBondContact O-CD2 3.43Å; K51-F54 WeakPolarHBondContact O-CB 3.32Å; K51-F54 PolarHBondContact O-N 3.38Å; D52-F54 VanDerWaalsContact C-N 3.28Å; D52-F54 PolarHBondContact O-N 2.53Å; F54-G56 VanDerWaalsContact C-N 3.32Å; F54-G449 VanDerWaalsContact CE2-CA 3.45Å; F54-M450 HydrophobicContact CD1-CG 4.44Å; F54-M450 HydrophobicContact CD1-SD 3.88Å; F54-M450 HydrophobicContact CE1-CG 4.06Å; F54-M450 HydrophobicContact CE1-SD 3.92Å; F54-A453 HydrophobicContact CB-CB 4Å; F54-F517 HydrophobicContact CD1-CE1 4.05Å; F54-F517 HydrophobicContact CD1-CZ 4.05Å; F54-F517 HydrophobicContact CD2-CE1 4.27Å; F54-F517 HydrophobicContact CE1-CE1 4.31Å; F54-F517 AromaticContact CE1-CZ 3.91Å; F54-F517 HydrophobicContact CE1-CZ 3.91Å; F54-F517 HydrophobicContact CG-CE1 4.02Å; F54-F517 HydrophobicContact CG-CZ 4.44Å; F54-F517 HydrophobicContact CZ-CZ 4.18Å; F54-V521 HydrophobicContact CB-CG1 4.38Å; F54-V521 HydrophobicContact CD1-CG1 4.14Å; F54-V521 HydrophobicContact CD1-CG2 3.67Å; F54-V521 HydrophobicContact CE1-CG2 4.33Å; F54-V521 HydrophobicContact CG-CG2 4.47Å; F54-V521 WeakPolarHBondContact O-CG1 3.41Å; F54-V542 HydrophobicContact CE1-CG1 3.78Å; F54-V542 HydrophobicContact CZ-CG1 4.32Å; F54-L546 HydrophobicContact CD2-CD1 4Å; F54-L546 HydrophobicContact CD2-CD2 4.39Å; F54-L546 HydrophobicContact CE2-CD1 3.67Å; F54-L546 HydrophobicContact CE2-CD2 3.35Å; F54-L546 HydrophobicContact CE2-CG 4.06Å; F54-L546 HydrophobicContact CZ-CD1 4.36Å; F54-L546 HydrophobicContact CZ-CD2 3.8Å
55	L	94.8	Very high	88.3	Confident	26 Å²	26	38 Å²	38	14%	0.136	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.4	174.4	-56.2	-179.6	0	0	0	112.6	D52 L53 Q57 Y452 A453 V456	D52-L55 WeakPolarHBondContact O-CA 3.43Å; D52-L55 WeakPolarHBondContact O-CB 3.47Å; D52-L55 PolarHBondContact O-N 2.96Å; L53-L55 PolarHBondContact O-N 2.79Å; L55-Q57 HydrophobicContact CB-CG 4.15Å; L55-Y452 HydrophobicContact CD1-CE1 3.64Å; L55-Y452 HydrophobicContact CG-CE1 4Å; L55-A453 HydrophobicContact CD2-CB 3.98Å; L55-V456 HydrophobicContact CD1-CG1 4.15Å; L55-V456 HydrophobicContact CD1-CG2 4.29Å; L55-V456 HydrophobicContact CD2-CB 4.05Å; L55-V456 HydrophobicContact CD2-CG1 4Å; L55-V456 HydrophobicContact CD2-CG2 4.45Å
56	G	95.3	Very high	90.5	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	37.3	-172.9	0	0	0	0	0	112.7	D52 L53 F54 V514	D52-G56 PolarHBondContact O-N 2.87Å; L53-G56 PolarHBondContact O-N 2.99Å; F54-G56 VanDerWaalsContact C-N 3.32Å; G56-V514 WeakPolarHBondContact CA-O 3.45Å
57	Q	93.9	Very high	92.3	Very high	82 Å²	82	26.9 Å²	26.9	38%	0.383	15%	0.152	S	C	.	.			trans	-124.5	145.9	-178.3	-61.3	179.2	28.3	0	0	110.9	D52 L55	D52-Q57 CarbonylContact C-O 3.53Å; D52-Q57 HydrophobicContact CB-CB 4.36Å; D52-Q57 PolarHBondContact O-N 3.43Å; D52-Q57 VanDerWaalsContact O-N 3.11Å; L55-Q57 HydrophobicContact CB-CG 4.15Å
58	I	94.5	Very high	93.5	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.097	18%	0.176	C	C	.	.			trans	-115	108.4	174.2	-60.8	-178.7	0	0	0	108.5	Y49 L53 K60 L490 L492 L510 E511 V514	Y49-I58 HydrophobicContact CE2-CG2 4.16Å; L53-I58 HydrophobicContact CD2-CG1 4.29Å; I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 HydrophobicContact CG2-CB 4.39Å; I58-K60 PolarHBondContact O-N 2.79Å; I58-L490 HydrophobicContact CD1-CB 4.24Å; I58-L490 HydrophobicContact CD1-CD1 3.77Å; I58-L490 HydrophobicContact CG1-CB 4.45Å; I58-L490 HydrophobicContact CG1-CD1 3.82Å; I58-L492 HydrophobicContact CD1-CD1 3.79Å; I58-L492 HydrophobicContact CD1-CG 4.18Å; I58-L492 HydrophobicContact CG2-CD2 3.97Å; I58-L492 HydrophobicContact CG2-CG 4.48Å; I58-L510 HydrophobicContact CD1-CD2 4.4Å; I58-L510 HydrophobicContact CD1-CG 4.19Å; I58-E511 HydrophobicContact CD1-CG 4.23Å; I58-V514 HydrophobicContact CD1-CB 4.28Å; I58-V514 HydrophobicContact CD1-CG1 4.43Å; I58-V514 HydrophobicContact CD1-CG2 3.97Å; I58-V514 HydrophobicContact CG1-CB 4.26Å; I58-V514 HydrophobicContact CG1-CG1 3.88Å; I58-V514 HydrophobicContact CG1-CG2 4.08Å
59	N	92.8	Very high	94.2	Very high	54 Å²	54	34 Å²	34	29%	0.289	18%	0.184	S	C	.	.			trans	-82.5	78.5	171.6	-170.4	-9.9	0	0	0	110	Y49 D52 A61 E62	Y49-N59 HydrophobicContact CD2-CB 4.38Å; D52-N59 WeakPolarHBondContact OD2-CB 3.26Å; N59-A61 PolarHBondContact O-N 3.19Å; N59-E62 HydrophobicContact CB-CG 4.38Å; N59-E62 WeakPolarHBondContact ND2-CG 3.28Å; N59-E62 PolarHBondContact O-N 3.46Å; N59-E62 VanDerWaalsContact O-N 3.09Å
60	K	92.9	Very high	94.1	Very high	61 Å²	61	36 Å²	36	27%	0.265	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-59.1	-28.7	-173.2	63.8	-179.1	-179.3	173.5	0	113.9	I58 E62 V63 F64 G491 L492 D496 V498	I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 HydrophobicContact CG2-CB 4.39Å; I58-K60 PolarHBondContact O-N 2.79Å; K60-E62 PolarHBondContact O-N 3.06Å; K60-V63 PolarHBondContact O-N 2.9Å; K60-F64 HydrophobicContact CB-CD2 4.07Å; K60-F64 WeakPolarHBondContact O-CB 3.4Å; K60-F64 PolarHBondContact O-N 3.27Å; K60-G491 WeakPolarHBondContact CD-O 3.32Å; K60-G491 PolarHBondContact NZ-O 3.39Å; K60-L492 HydrophobicContact CB-CD2 4.18Å; K60-D496 PolarHBondContact NZ-O 2.6Å; K60-V498 HydrophobicContact CB-CG2 4.07Å; K60-V498 HydrophobicContact CD-CG1 3.83Å; K60-V498 HydrophobicContact CD-CG2 3.94Å; K60-V498 HydrophobicContact CG-CG1 4.48Å
61	A	90.9	Very high	93.8	Very high	60 Å²	60	40.2 Å²	40.2	50%	0.496	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65	-20.9	178.8	0	0	0	0	0	113.4	N59	N59-A61 PolarHBondContact O-N 3.19Å
62	E	90.7	Very high	93.6	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-86.8	-15.3	179.7	-60.2	-54.4	157.4	0	0	113.4	L47 N59 K60 R378	L47-E62 VanDerWaalsContact CD2-CD 3.46Å; L47-E62 HydrophobicContact CD2-CG 4.25Å; L47-E62 WeakPolarHBondContact CD2-OE2 3.34Å; N59-E62 HydrophobicContact CB-CG 4.38Å; N59-E62 WeakPolarHBondContact ND2-CG 3.28Å; N59-E62 PolarHBondContact O-N 3.46Å; N59-E62 VanDerWaalsContact O-N 3.09Å; K60-E62 PolarHBondContact O-N 3.06Å; E62-R378 VanDerWaalsContact O-CZ 3.3Å; E62-R378 PolarHBondContact O-NH1 2.86Å; E62-R378 PolarHBondContact O-NH2 2.98Å; E62-R378 IonicContact OE2-CZ 3.78Å; E62-R378 IonicContact OE2-NH1 3.35Å; E62-R378 PolarHBondContact OE2-NH1 2.76Å
63	V	94.8	Very high	93.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-8.9	-171.8	-66.5	0	0	0	0	114	Y49 K60 L371 M375 T553 S557	Y49-V63 HydrophobicContact CD1-CG1 3.86Å; Y49-V63 HydrophobicContact CD2-CB 4.44Å; Y49-V63 HydrophobicContact CD2-CG1 3.67Å; Y49-V63 HydrophobicContact CD2-CG2 3.82Å; Y49-V63 HydrophobicContact CE1-CG1 4.13Å; Y49-V63 HydrophobicContact CE2-CB 4.35Å; Y49-V63 HydrophobicContact CE2-CG1 3.95Å; Y49-V63 HydrophobicContact CE2-CG2 3.41Å; Y49-V63 VanDerWaalsContact CE2-CG2 3.41Å; Y49-V63 HydrophobicContact CG-CG1 3.64Å; K60-V63 PolarHBondContact O-N 2.9Å; V63-L371 HydrophobicContact CB-CD1 4.24Å; V63-L371 HydrophobicContact CB-CD2 4.3Å; V63-L371 HydrophobicContact CG1-CD1 4.27Å; V63-L371 HydrophobicContact CG1-CD2 4.09Å; V63-M375 HydrophobicContact CG1-SD 4.3Å; V63-T553 HydrophobicContact CB-CG2 3.88Å; V63-T553 HydrophobicContact CG1-CG2 4.23Å; V63-T553 HydrophobicContact CG2-CG2 3.63Å; V63-S557 WeakPolarHBondContact O-CB 3.17Å; V63-S557 PolarHBondContact O-OG 3.22Å
64	F	95.6	Very high	93	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.057	28%	0.279	C	S	.	.	S	Bend	trans	-127.5	139.7	173.3	-63.4	-93.4	0	0	0	111.2	K60 L492 V498 V499 T553 L556	K60-F64 HydrophobicContact CB-CD2 4.07Å; K60-F64 WeakPolarHBondContact O-CB 3.4Å; K60-F64 PolarHBondContact O-N 3.27Å; F64-L492 HydrophobicContact CD2-CD2 4.32Å; F64-L492 HydrophobicContact CE2-CD2 3.8Å; F64-L492 HydrophobicContact CZ-CD2 4.25Å; F64-V498 HydrophobicContact CB-CB 3.82Å; F64-V498 HydrophobicContact CB-CG1 4.36Å; F64-V498 HydrophobicContact CB-CG2 3.75Å; F64-V498 HydrophobicContact CD1-CB 4.24Å; F64-V498 HydrophobicContact CD1-CG2 3.82Å; F64-V498 HydrophobicContact CD2-CG2 3.71Å; F64-V498 HydrophobicContact CE1-CG2 4.33Å; F64-V498 HydrophobicContact CE2-CG2 4.29Å; F64-V498 HydrophobicContact CG-CB 4.03Å; F64-V498 HydrophobicContact CG-CG2 3.49Å; F64-V498 VanDerWaalsContact CG-CG2 3.49Å; F64-V499 HydrophobicContact CE1-CG2 3.67Å; F64-V499 HydrophobicContact CZ-CG2 3.88Å; F64-T553 HydrophobicContact CE2-CG2 4.24Å; F64-L556 HydrophobicContact CE1-CB 4.48Å; F64-L556 HydrophobicContact CZ-CB 4.29Å
65	P	95.6	Very high	92.8	Very high	104 Å²	104	53.1 Å²	53.1	68%	0.675	30%	0.3	S	S	*	.	S	Bend	cis	-62.5	165.5	-10.8	30.3	-36.1	0	0	0	111.4
66	Y	97.7	Very high	92.6	Very high	22 Å²	22	54.8 Å²	54.8	9%	0.086	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-56.6	135.8	175.3	-164.6	-94.2	0	0	0	109.8	E68 S367 Y370 L371 S557 R558	Y66-E68 PolarHBondContact O-N 3.24Å; Y66-S367 WeakPolarHBondContact OH-CA 3.36Å; Y66-S367 PolarHBondContact OH-O 2.89Å; Y66-Y370 WeakPolarHBondContact OH-CB 3.34Å; Y66-L371 HydrophobicContact CD2-CD1 4.47Å; Y66-L371 HydrophobicContact CE2-CB 3.85Å; Y66-L371 PolarHBondContact OH-N 3.29Å; Y66-S557 WeakPolarHBondContact CA-OG 2.86Å; Y66-S557 WeakPolarHBondContact CB-OG 3.4Å; Y66-S557 PolarHBondContact N-OG 3.02Å; Y66-S557 VanDerWaalsContact N-OG 3.14Å; Y66-R558 HydrophobicContact CD2-CB 3.68Å; Y66-R558 VanDerWaalsContact CD2-N 3.34Å; Y66-R558 HydrophobicContact CE2-CB 3.69Å; Y66-R558 HydrophobicContact CE2-CG 4.4Å; Y66-R558 HydrophobicContact CG-CB 4.16Å
67	P	94.2	Very high	92.3	Very high	33 Å²	33	55.3 Å²	55.3	21%	0.214	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-57.3	140	-175.2	-25.2	33.4	0	0	0	112.9	L371	P67-L371 VanDerWaalsContact CD-CD1 3.48Å; P67-L371 HydrophobicContact CG-CD1 3.79Å
68	E	91.4	Very high	92.2	Very high	116 Å²	116	56.3 Å²	56.3	54%	0.542	31%	0.313	S	S	.	.			trans	-127.6	144	176.4	-61	-170.4	-156.1	0	0	110	Y66 R561	Y66-E68 PolarHBondContact O-N 3.24Å; E68-R561 VanDerWaalsContact CD-NE 3.31Å; E68-R561 WeakPolarHBondContact OE1-CG 3.33Å; E68-R561 IonicContact OE1-CZ 2.75Å; E68-R561 IonicContact OE1-NE 3.9Å; E68-R561 PolarHBondContact OE1-NE 3.42Å; E68-R561 IonicContact OE1-NH2 2.7Å; E68-R561 PolarHBondContact OE1-NH2 3.38Å; E68-R561 IonicContact OE2-CZ 3.12Å; E68-R561 IonicContact OE2-NE 3.49Å; E68-R561 IonicContact OE2-NH2 2.71Å; E68-R561 PolarHBondContact OE2-NH2 2.97Å
69	I	90.8	Very high	92	Very high	49 Å²	49	61.8 Å²	61.8	25%	0.251	34%	0.338	S	S	.	.			trans	-88.7	156.9	169.3	58.6	173.5	0	0	0	110	E73 L74 V77 T133	I69-E73 HydrophobicContact CB-CB 4.18Å; I69-E73 HydrophobicContact CB-CG 4.09Å; I69-E73 WeakPolarHBondContact CB-OE2 3.19Å; I69-E73 HydrophobicContact CD1-CB 4.43Å; I69-E73 HydrophobicContact CD1-CG 4.15Å; I69-E73 HydrophobicContact CG2-CG 4.35Å; I69-E73 WeakPolarHBondContact CG2-OE2 3.4Å; I69-L74 HydrophobicContact CD1-CB 4.05Å; I69-L74 HydrophobicContact CD1-CD1 4.21Å; I69-L74 HydrophobicContact CG1-CB 4.29Å; I69-V77 HydrophobicContact CD1-CG2 4.08Å; I69-T133 HydrophobicContact CG2-CG2 3.7Å
70	G	90.1	Very high	92	Very high	44 Å²	44	61.8 Å²	61.8	45%	0.454	34%	0.336	S	S	.	.			trans	-66.1	162.7	176.8	0	0	0	0	0	112.6	D72 E73 L74	G70-D72 VanDerWaalsContact C-N 3.26Å; G70-D72 PolarHBondContact O-N 2.91Å; G70-E73 PolarHBondContact O-N 3.32Å; G70-L74 WeakPolarHBondContact O-CB 3.34Å; G70-L74 PolarHBondContact O-N 2.83Å
71	S	90.8	Very high	92.1	Very high	87 Å²	87	59.5 Å²	59.5	61%	0.608	33%	0.327	S	S	*	.	H	α-helix	trans	-55.8	-41.6	177.2	50.8	0	0	0	0	112.7	L74 E75	S71-L74 WeakPolarHBondContact O-CB 3.46Å; S71-L74 PolarHBondContact O-N 3.08Å; S71-E75 PolarHBondContact O-N 3.47Å
72	D	89.8	Confident	92.3	Very high	114 Å²	114	59.4 Å²	59.4	61%	0.61	33%	0.326	S	S	*	.	H	α-helix	trans	-68.7	-43.6	-176.5	-59	-7.5	0	0	0	110.5	G70 L74 E75 E76	G70-D72 VanDerWaalsContact C-N 3.26Å; G70-D72 PolarHBondContact O-N 2.91Å; D72-L74 VanDerWaalsContact C-N 3.3Å; D72-L74 PolarHBondContact O-N 3.25Å; D72-E75 PolarHBondContact O-N 2.89Å; D72-E76 WeakPolarHBondContact O-CB 3.28Å; D72-E76 PolarHBondContact O-N 2.69Å
73	E	89.3	Confident	92.6	Very high	40 Å²	40	61.7 Å²	61.7	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-35.6	174.7	-170.3	175.6	-172	0	0	111.1	I69 G70 E76 V77 S131 M134	I69-E73 HydrophobicContact CB-CB 4.18Å; I69-E73 HydrophobicContact CB-CG 4.09Å; I69-E73 WeakPolarHBondContact CB-OE2 3.19Å; I69-E73 HydrophobicContact CD1-CB 4.43Å; I69-E73 HydrophobicContact CD1-CG 4.15Å; I69-E73 HydrophobicContact CG2-CG 4.35Å; I69-E73 WeakPolarHBondContact CG2-OE2 3.4Å; G70-E73 PolarHBondContact O-N 3.32Å; E73-E76 WeakPolarHBondContact O-CB 3.49Å; E73-E76 PolarHBondContact O-N 2.81Å; E73-V77 VanDerWaalsContact O-CG2 3.32Å; E73-V77 WeakPolarHBondContact O-CG2 3.36Å; E73-V77 PolarHBondContact O-N 3.37Å; E73-S131 VanDerWaalsContact OE1-CB 3.31Å; E73-S131 WeakPolarHBondContact OE1-CB 3.27Å; E73-S131 PolarHBondContact OE1-OG 3.11Å; E73-M134 HydrophobicContact CG-CE 4.2Å; E73-M134 HydrophobicContact CG-CG 4.08Å; E73-M134 HydrophobicContact CG-SD 3.7Å
74	L	91	Very high	92.7	Very high	77 Å²	77	61.9 Å²	61.9	40%	0.403	34%	0.343	S	S	.	.	H	α-helix	trans	-66.1	-42.5	175.4	179.1	62.8	0	0	0	112.4	I69 G70 S71 D72 E76 V77 K78	I69-L74 HydrophobicContact CD1-CB 4.05Å; I69-L74 HydrophobicContact CD1-CD1 4.21Å; I69-L74 HydrophobicContact CG1-CB 4.29Å; G70-L74 WeakPolarHBondContact O-CB 3.34Å; G70-L74 PolarHBondContact O-N 2.83Å; S71-L74 WeakPolarHBondContact O-CB 3.46Å; S71-L74 PolarHBondContact O-N 3.08Å; D72-L74 VanDerWaalsContact C-N 3.3Å; D72-L74 PolarHBondContact O-N 3.25Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-V77 PolarHBondContact O-N 3.48Å; L74-K78 WeakPolarHBondContact O-CG 3.48Å; L74-K78 PolarHBondContact O-N 3.26Å
75	E	91.4	Very high	92.8	Very high	96 Å²	96	64.4 Å²	64.4	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-38.7	174.7	-69.4	-52.5	129.6	0	0	111.6	S71 D72 K78 Q79	S71-E75 PolarHBondContact O-N 3.47Å; D72-E75 PolarHBondContact O-N 2.89Å; E75-K78 WeakPolarHBondContact O-CB 3.36Å; E75-K78 PolarHBondContact O-N 3.18Å; E75-K78 IonicContact OE1-NZ 3.89Å; E75-K78 PolarHBondContact OE1-NZ 3.04Å; E75-K78 IonicContact OE2-NZ 2.59Å; E75-Q79 WeakPolarHBondContact O-CG 3.49Å; E75-Q79 PolarHBondContact O-N 2.89Å; E75-Q79 VanDerWaalsContact O-N 3.13Å
76	E	90.4	Very high	92.9	Very high	61 Å²	61	64.9 Å²	64.9	29%	0.285	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-46.8	173.6	-173	-179.8	-171.3	0	0	111.8	D72 E73 L74 K78 Q79 F80 M134	D72-E76 WeakPolarHBondContact O-CB 3.28Å; D72-E76 PolarHBondContact O-N 2.69Å; E73-E76 WeakPolarHBondContact O-CB 3.49Å; E73-E76 PolarHBondContact O-N 2.81Å; L74-E76 VanDerWaalsContact C-N 3.33Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 3.25Å; E76-Q79 WeakPolarHBondContact O-CB 3.46Å; E76-Q79 PolarHBondContact O-N 3.45Å; E76-Q79 VanDerWaalsContact O-N 3.12Å; E76-F80 HydrophobicContact CG-CD2 4.02Å; E76-F80 HydrophobicContact CG-CE2 3.67Å; E76-F80 VanDerWaalsContact O-CD2 3.27Å; E76-F80 WeakPolarHBondContact O-CD2 3.39Å; E76-F80 PolarHBondContact O-N 3.1Å; E76-M134 HydrophobicContact CB-CE 3.98Å; E76-M134 HydrophobicContact CG-CE 3.62Å
77	V	90.4	Very high	92.9	Very high	15 Å²	15	64.4 Å²	64.4	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-54	-46.7	173.7	168.5	0	0	0	0	111.4	I69 E73 L74 Q79 F80 V81 M134 R137	I69-V77 HydrophobicContact CD1-CG2 4.08Å; E73-V77 VanDerWaalsContact O-CG2 3.32Å; E73-V77 WeakPolarHBondContact O-CG2 3.36Å; E73-V77 PolarHBondContact O-N 3.37Å; L74-V77 PolarHBondContact O-N 3.48Å; V77-Q79 VanDerWaalsContact C-N 3.26Å; V77-Q79 PolarHBondContact O-N 3Å; V77-F80 PolarHBondContact O-N 3.4Å; V77-V81 HydrophobicContact CG1-CG2 3.8Å; V77-V81 WeakPolarHBondContact O-CB 3.27Å; V77-V81 WeakPolarHBondContact O-CG2 3.44Å; V77-V81 PolarHBondContact O-N 3.03Å; V77-M134 HydrophobicContact CG2-CB 4.1Å; V77-M134 HydrophobicContact CG2-CE 3.69Å; V77-M134 HydrophobicContact CG2-CG 3.48Å; V77-M134 VanDerWaalsContact CG2-CG 3.48Å; V77-M134 HydrophobicContact CG2-SD 4.4Å; V77-R137 HydrophobicContact CG1-CB 4.34Å; V77-R137 HydrophobicContact CG1-CG 3.74Å
78	K	90.5	Very high	93.1	Very high	104 Å²	104	63.6 Å²	63.6	45%	0.452	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-37.4	-179.3	-69.8	171.6	-172.8	169.1	0	112	L74 E75 E76 V81 A82	L74-K78 WeakPolarHBondContact O-CG 3.48Å; L74-K78 PolarHBondContact O-N 3.26Å; E75-K78 WeakPolarHBondContact O-CB 3.36Å; E75-K78 PolarHBondContact O-N 3.18Å; E75-K78 IonicContact OE1-NZ 3.89Å; E75-K78 PolarHBondContact OE1-NZ 3.04Å; E75-K78 IonicContact OE2-NZ 2.59Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 3.25Å; K78-V81 PolarHBondContact O-N 3.34Å; K78-A82 PolarHBondContact O-N 3.2Å
79	Q	91.6	Very high	93.3	Very high	134 Å²	134	63 Å²	63	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-66.8	-35.2	178.2	-68.7	176.2	14.2	0	0	112.5	E75 E76 V77 P83	E75-Q79 WeakPolarHBondContact O-CG 3.49Å; E75-Q79 PolarHBondContact O-N 2.89Å; E75-Q79 VanDerWaalsContact O-N 3.13Å; E76-Q79 WeakPolarHBondContact O-CB 3.46Å; E76-Q79 PolarHBondContact O-N 3.45Å; E76-Q79 VanDerWaalsContact O-N 3.12Å; V77-Q79 VanDerWaalsContact C-N 3.26Å; V77-Q79 PolarHBondContact O-N 3Å; Q79-P83 WeakPolarHBondContact O-CD 3.02Å; Q79-P83 WeakPolarHBondContact O-CG 3.44Å
80	F	92	Very high	93.6	Very high	54 Å²	54	67.2 Å²	67.2	24%	0.237	36%	0.358	C	S	.	.	H	α-helix	trans	-78.9	-37.1	174.7	-74.1	-67.2	0	0	0	113.3	E76 V77 P83 V84 L128 L130 L138	E76-F80 HydrophobicContact CG-CD2 4.02Å; E76-F80 HydrophobicContact CG-CE2 3.67Å; E76-F80 VanDerWaalsContact O-CD2 3.27Å; E76-F80 WeakPolarHBondContact O-CD2 3.39Å; E76-F80 PolarHBondContact O-N 3.1Å; V77-F80 PolarHBondContact O-N 3.4Å; F80-P83 WeakPolarHBondContact O-CD 3.45Å; F80-V84 VanDerWaalsContact O-CG2 3.22Å; F80-V84 WeakPolarHBondContact O-CG2 3.31Å; F80-V84 PolarHBondContact O-N 2.82Å; F80-L128 HydrophobicContact CD1-CD1 4.21Å; F80-L128 HydrophobicContact CE1-CD1 3.89Å; F80-L128 HydrophobicContact CE1-CD2 3.82Å; F80-L128 HydrophobicContact CE1-CG 4.35Å; F80-L128 HydrophobicContact CZ-CD1 4.48Å; F80-L128 HydrophobicContact CZ-CD2 4.16Å; F80-L130 HydrophobicContact CD2-CD1 4.25Å; F80-L130 HydrophobicContact CD2-CD2 4.01Å; F80-L130 HydrophobicContact CE2-CD2 3.6Å; F80-L130 HydrophobicContact CG-CD1 4.48Å; F80-L130 HydrophobicContact CZ-CD2 4.15Å; F80-L138 HydrophobicContact CB-CD2 4.23Å
81	V	95.2	Very high	93.9	Very high	12 Å²	12	71 Å²	71	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-49.9	-175.9	159.9	0	0	0	0	111.9	V77 K78 V84 E85 R137 L138 I141	V77-V81 HydrophobicContact CG1-CG2 3.8Å; V77-V81 WeakPolarHBondContact O-CB 3.27Å; V77-V81 WeakPolarHBondContact O-CG2 3.44Å; V77-V81 PolarHBondContact O-N 3.03Å; K78-V81 PolarHBondContact O-N 3.34Å; V81-V84 PolarHBondContact O-N 3.49Å; V81-E85 HydrophobicContact CG1-CG 4.02Å; V81-E85 WeakPolarHBondContact CG1-OE1 3.31Å; V81-E85 WeakPolarHBondContact O-CB 3.49Å; V81-E85 WeakPolarHBondContact O-CG 3.35Å; V81-E85 PolarHBondContact O-N 2.77Å; V81-R137 VanDerWaalsContact CG1-NH2 3.33Å; V81-R137 HydrophobicContact CG2-CG 3.66Å; V81-L138 HydrophobicContact CG2-CD2 4.21Å; V81-I141 HydrophobicContact CG1-CD1 4.18Å; V81-I141 HydrophobicContact CG2-CD1 4.34Å
82	A	95.1	Very high	94.3	Very high	59 Å²	59	67.8 Å²	67.8	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-44.8	-171	0	0	0	0	0	113.9	K78 V84 K86	K78-A82 PolarHBondContact O-N 3.2Å; A82-V84 PolarHBondContact O-N 3.1Å; A82-K86 WeakPolarHBondContact O-CB 3.44Å; A82-K86 PolarHBondContact O-N 2.84Å
83	P	96.8	Very high	94.7	Very high	61 Å²	61	66.2 Å²	66.2	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-39	174.2	-23.9	34.7	0	0	0	113.4	Q79 F80 K86 F87 L114	Q79-P83 WeakPolarHBondContact O-CD 3.02Å; Q79-P83 WeakPolarHBondContact O-CG 3.44Å; F80-P83 WeakPolarHBondContact O-CD 3.45Å; P83-K86 PolarHBondContact O-N 3.44Å; P83-F87 WeakPolarHBondContact O-CB 3.29Å; P83-F87 PolarHBondContact O-N 2.74Å; P83-L114 HydrophobicContact CB-CD2 3.94Å
84	V	97.9	Very high	95.1	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-69.2	-45.9	179.6	178.3	0	0	0	0	110.5	F80 V81 A82 K86 F87 F88 L114 L116 L138 I141	F80-V84 VanDerWaalsContact O-CG2 3.22Å; F80-V84 WeakPolarHBondContact O-CG2 3.31Å; F80-V84 PolarHBondContact O-N 2.82Å; V81-V84 PolarHBondContact O-N 3.49Å; A82-V84 PolarHBondContact O-N 3.1Å; V84-K86 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 3.3Å; V84-F87 PolarHBondContact O-N 3.04Å; V84-F88 HydrophobicContact CG1-CD2 3.87Å; V84-F88 HydrophobicContact CG1-CE2 3.96Å; V84-F88 WeakPolarHBondContact O-CD2 3.4Å; V84-F88 PolarHBondContact O-N 2.85Å; V84-L114 HydrophobicContact CG2-CD1 4.47Å; V84-L116 HydrophobicContact CG1-CD1 4.24Å; V84-L116 HydrophobicContact CG2-CD1 4.39Å; V84-L116 HydrophobicContact CG2-CD2 3.93Å; V84-L138 HydrophobicContact CG2-CD2 4.3Å; V84-I141 HydrophobicContact CG1-CB 4.29Å; V84-I141 HydrophobicContact CG1-CD1 4.32Å; V84-I141 HydrophobicContact CG1-CG2 3.94Å
85	E	97.2	Very high	95.3	Very high	67 Å²	67	64 Å²	64	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-44.4	173.9	-75.5	179.8	167.3	0	0	111.5	V81 F88 N89 R137 I141	V81-E85 HydrophobicContact CG1-CG 4.02Å; V81-E85 WeakPolarHBondContact CG1-OE1 3.31Å; V81-E85 WeakPolarHBondContact O-CB 3.49Å; V81-E85 WeakPolarHBondContact O-CG 3.35Å; V81-E85 PolarHBondContact O-N 2.77Å; E85-F88 PolarHBondContact O-N 3.28Å; E85-N89 VanDerWaalsContact O-CB 3.31Å; E85-N89 WeakPolarHBondContact O-CB 3.28Å; E85-N89 VanDerWaalsContact O-CG 3.23Å; E85-N89 PolarHBondContact O-N 3.12Å; E85-N89 PolarHBondContact O-ND2 2.95Å; E85-R137 IonicContact OE1-CZ 2.68Å; E85-R137 IonicContact OE1-NH1 3.32Å; E85-R137 IonicContact OE1-NH2 3.88Å; E85-R137 PolarHBondContact OE1-NH2 3.32Å; E85-I141 HydrophobicContact CG-CD1 3.46Å; E85-I141 VanDerWaalsContact CG-CD1 3.46Å; E85-I141 HydrophobicContact CG-CG1 3.67Å; E85-I141 HydrophobicContact CG-CG2 4.01Å
86	K	97.6	Very high	95.6	Very high	114 Å²	114	61.8 Å²	61.8	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-49	176.8	-174.3	179.4	179.1	-176.8	0	111.7	A82 P83 V84 F88 N89 E90	A82-K86 WeakPolarHBondContact O-CB 3.44Å; A82-K86 PolarHBondContact O-N 2.84Å; P83-K86 PolarHBondContact O-N 3.44Å; V84-K86 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 3.3Å; K86-F88 PolarHBondContact O-N 3.41Å; K86-N89 PolarHBondContact O-N 2.81Å; K86-E90 VanDerWaalsContact CE-CD 3.46Å; K86-E90 WeakPolarHBondContact CE-OE1 3.35Å; K86-E90 WeakPolarHBondContact CE-OE2 3.41Å; K86-E90 HydrophobicContact CG-CG 4.28Å; K86-E90 IonicContact NZ-OE2 2.72Å; K86-E90 WeakPolarHBondContact O-CB 3.42Å; K86-E90 PolarHBondContact O-N 2.99Å
87	F	98.4	Very high	96	Very high	12 Å²	12	59 Å²	59	5%	0.053	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-46	179.7	-179.3	-101.9	0	0	0	112.2	P83 V84 N89 E91 V92 T107 L111 L114	P83-F87 WeakPolarHBondContact O-CB 3.29Å; P83-F87 PolarHBondContact O-N 2.74Å; V84-F87 PolarHBondContact O-N 3.04Å; F87-N89 VanDerWaalsContact C-N 3.32Å; F87-N89 PolarHBondContact O-N 3.05Å; F87-E91 HydrophobicContact CD2-CB 3.73Å; F87-E91 HydrophobicContact CD2-CG 4.11Å; F87-E91 WeakPolarHBondContact CD2-OE2 3.5Å; F87-E91 HydrophobicContact CE2-CB 3.81Å; F87-E91 HydrophobicContact CE2-CG 4.46Å; F87-E91 WeakPolarHBondContact CE2-OE2 3.46Å; F87-E91 HydrophobicContact CG-CB 4.44Å; F87-E91 WeakPolarHBondContact O-CA 3.45Å; F87-E91 WeakPolarHBondContact O-CB 3.41Å; F87-E91 PolarHBondContact O-N 2.82Å; F87-V92 HydrophobicContact CD1-CG2 3.77Å; F87-V92 HydrophobicContact CE1-CG2 3.52Å; F87-V92 HydrophobicContact CZ-CG2 4.24Å; F87-V92 PolarHBondContact O-N 2.74Å; F87-V92 VanDerWaalsContact O-N 3.14Å; F87-T107 HydrophobicContact CE1-CG2 4.28Å; F87-T107 HydrophobicContact CZ-CG2 4.16Å; F87-L111 HydrophobicContact CD1-CD2 4.22Å; F87-L111 HydrophobicContact CE1-CD2 3.66Å; F87-L111 HydrophobicContact CE1-CG 4.03Å; F87-L114 HydrophobicContact CB-CD1 3.7Å; F87-L114 HydrophobicContact CD1-CD1 3.82Å; F87-L114 HydrophobicContact CD2-CD1 4.24Å; F87-L114 HydrophobicContact CG-CD1 3.65Å
88	F	97.8	Very high	96.4	Very high	15 Å²	15	59.2 Å²	59.2	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-29.7	178.6	-86.4	-98.2	0	0	0	113.4	V84 E85 K86 V92 L111 L116 I141 I142 L144 D145 I148	V84-F88 HydrophobicContact CG1-CD2 3.87Å; V84-F88 HydrophobicContact CG1-CE2 3.96Å; V84-F88 WeakPolarHBondContact O-CD2 3.4Å; V84-F88 PolarHBondContact O-N 2.85Å; E85-F88 PolarHBondContact O-N 3.28Å; K86-F88 PolarHBondContact O-N 3.41Å; F88-V92 HydrophobicContact CD1-CG2 4.17Å; F88-V92 HydrophobicContact CG-CG2 4.23Å; F88-L111 HydrophobicContact CE2-CD2 3.98Å; F88-L111 HydrophobicContact CZ-CD2 4.03Å; F88-L116 HydrophobicContact CE2-CD1 4.25Å; F88-I141 HydrophobicContact CB-CG2 3.97Å; F88-I141 HydrophobicContact CD2-CG2 4.05Å; F88-I141 HydrophobicContact CG-CG2 4.01Å; F88-I142 WeakPolarHBondContact CE1-O 3.43Å; F88-I142 HydrophobicContact CE2-CG1 4.14Å; F88-I142 HydrophobicContact CZ-CB 4.13Å; F88-I142 HydrophobicContact CZ-CG1 4.01Å; F88-I142 HydrophobicContact CZ-CG2 4.24Å; F88-L144 HydrophobicContact CD1-CB 4.46Å; F88-D145 HydrophobicContact CE1-CB 4.44Å; F88-I148 HydrophobicContact CE1-CD1 4.15Å; F88-I148 HydrophobicContact CE1-CG2 4.19Å; F88-I148 HydrophobicContact CZ-CD1 4.45Å; F88-I148 HydrophobicContact CZ-CG2 3.8Å
89	N	95.4	Very high	96.6	Very high	105 Å²	105	62 Å²	62	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-84.5	-33.4	179	-72.9	-38.1	0	0	0	113.6	E85 K86 F87	E85-N89 VanDerWaalsContact O-CB 3.31Å; E85-N89 WeakPolarHBondContact O-CB 3.28Å; E85-N89 VanDerWaalsContact O-CG 3.23Å; E85-N89 PolarHBondContact O-N 3.12Å; E85-N89 PolarHBondContact O-ND2 2.95Å; K86-N89 PolarHBondContact O-N 2.81Å; F87-N89 VanDerWaalsContact C-N 3.32Å; F87-N89 PolarHBondContact O-N 3.05Å
90	E	96.8	Very high	96.9	Very high	137 Å²	137	60.3 Å²	60.3	64%	0.64	31%	0.306	S	S	*	.	H	α-helix	trans	-107	-30	-170.7	-64	-178.3	-167	0	0	113.8	K86	K86-E90 VanDerWaalsContact CE-CD 3.46Å; K86-E90 WeakPolarHBondContact CE-OE1 3.35Å; K86-E90 WeakPolarHBondContact CE-OE2 3.41Å; K86-E90 HydrophobicContact CG-CG 4.28Å; K86-E90 IonicContact NZ-OE2 2.72Å; K86-E90 WeakPolarHBondContact O-CB 3.42Å; K86-E90 PolarHBondContact O-N 2.99Å
91	E	97.3	Very high	97.2	Very high	124 Å²	124	59.9 Å²	59.9	58%	0.579	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-26.7	-168.6	-59.4	-171.3	-148.5	0	0	113.9	F87 D93	F87-E91 HydrophobicContact CD2-CB 3.73Å; F87-E91 HydrophobicContact CD2-CG 4.11Å; F87-E91 WeakPolarHBondContact CD2-OE2 3.5Å; F87-E91 HydrophobicContact CE2-CB 3.81Å; F87-E91 HydrophobicContact CE2-CG 4.46Å; F87-E91 WeakPolarHBondContact CE2-OE2 3.46Å; F87-E91 HydrophobicContact CG-CB 4.44Å; F87-E91 WeakPolarHBondContact O-CA 3.45Å; F87-E91 WeakPolarHBondContact O-CB 3.41Å; F87-E91 PolarHBondContact O-N 2.82Å; E91-D93 PolarHBondContact O-N 3.36Å
92	V	98.3	Very high	97.3	Very high	19 Å²	19	66 Å²	66	12%	0.115	34%	0.339	C	S	.	.			trans	-79.9	114.7	178.5	176	0	0	0	0	111	F87 F88 S94 I97 T107 D145 I148	F87-V92 HydrophobicContact CD1-CG2 3.77Å; F87-V92 HydrophobicContact CE1-CG2 3.52Å; F87-V92 HydrophobicContact CZ-CG2 4.24Å; F87-V92 PolarHBondContact O-N 2.74Å; F87-V92 VanDerWaalsContact O-N 3.14Å; F88-V92 HydrophobicContact CD1-CG2 4.17Å; F88-V92 HydrophobicContact CG-CG2 4.23Å; V92-S94 PolarHBondContact O-N 2.98Å; V92-I97 HydrophobicContact CG1-CD1 4.07Å; V92-T107 HydrophobicContact CG2-CG2 4.14Å; V92-D145 HydrophobicContact CG1-CB 4.41Å; V92-I148 HydrophobicContact CG1-CD1 3.64Å; V92-I148 HydrophobicContact CG2-CD1 4.05Å
93	D	97.8	Very high	97.4	Very high	80 Å²	80	63.6 Å²	63.6	43%	0.428	32%	0.317	S	S	.	.			trans	-96.7	84	169.8	-173.4	-14.2	0	0	0	111	E91 A95 K96 I97	E91-D93 PolarHBondContact O-N 3.36Å; D93-A95 PolarHBondContact O-N 2.6Å; D93-A95 PolarHBondContact OD1-N 2.89Å; D93-A95 VanDerWaalsContact OD1-N 3.1Å; D93-K96 HydrophobicContact CB-CB 3.93Å; D93-K96 PolarHBondContact O-N 2.69Å; D93-K96 PolarHBondContact OD1-N 3.31Å; D93-K96 WeakPolarHBondContact OD2-CB 3.15Å; D93-I97 WeakPolarHBondContact O-CG1 3.46Å; D93-I97 PolarHBondContact O-N 2.94Å
94	S	97.6	Very high	97.5	Very high	18 Å²	18	61.3 Å²	61.3	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-23	178.9	-60.3	0	0	0	0	114.1	V92 D98 D145 R423	V92-S94 PolarHBondContact O-N 2.98Å; S94-D98 PolarHBondContact O-N 3.27Å; S94-D145 VanDerWaalsContact CA-OD2 3.24Å; S94-D145 WeakPolarHBondContact CA-OD2 3.48Å; S94-D145 WeakPolarHBondContact CB-OD2 3.16Å; S94-D145 WeakPolarHBondContact OG-CB 3.24Å; S94-D145 PolarHBondContact OG-OD2 3.42Å; S94-R423 PolarHBondContact O-NH1 3.11Å; S94-R423 VanDerWaalsContact O-NH1 3.13Å
95	A	96.6	Very high	97.4	Very high	52 Å²	52	64 Å²	64	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-75.7	-39.6	177.2	0	0	0	0	0	110.7	D93 R99	D93-A95 PolarHBondContact O-N 2.6Å; D93-A95 PolarHBondContact OD1-N 2.89Å; D93-A95 VanDerWaalsContact OD1-N 3.1Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.22Å; A95-R99 PolarHBondContact O-N 2.95Å
96	K	97.4	Very high	97.4	Very high	51 Å²	51	66.1 Å²	66.1	22%	0.222	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-46.5	171	-177.7	-176	175.7	-169.3	0	111.4	D93 D98 R99 E100 P104 E106	D93-K96 HydrophobicContact CB-CB 3.93Å; D93-K96 PolarHBondContact O-N 2.69Å; D93-K96 PolarHBondContact OD1-N 3.31Å; D93-K96 WeakPolarHBondContact OD2-CB 3.15Å; K96-D98 VanDerWaalsContact C-N 3.32Å; K96-D98 PolarHBondContact O-N 2.75Å; K96-R99 PolarHBondContact O-N 2.83Å; K96-E100 VanDerWaalsContact CE-OE1 3.29Å; K96-E100 WeakPolarHBondContact CE-OE1 3.39Å; K96-E100 WeakPolarHBondContact CE-OE2 3.27Å; K96-E100 VanDerWaalsContact CG-CD 3.46Å; K96-E100 HydrophobicContact CG-CG 4.23Å; K96-E100 VanDerWaalsContact CG-OE1 3.31Å; K96-E100 WeakPolarHBondContact CG-OE1 3.41Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 2.78Å; K96-P104 HydrophobicContact CD-CG 4.31Å; K96-E106 IonicContact NZ-OE1 3.69Å; K96-E106 PolarHBondContact NZ-OE1 3.4Å
97	I	98.4	Very high	97.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-54.7	-48	178.5	-69.7	168.5	0	0	0	111.3	V92 D93 A101 K102 I103 P104 I148	V92-I97 HydrophobicContact CG1-CD1 4.07Å; D93-I97 WeakPolarHBondContact O-CG1 3.46Å; D93-I97 PolarHBondContact O-N 2.94Å; I97-A101 WeakPolarHBondContact O-CA 3.45Å; I97-A101 PolarHBondContact O-N 2.78Å; I97-K102 PolarHBondContact O-N 2.66Å; I97-I103 HydrophobicContact CG2-CG1 4.09Å; I97-P104 HydrophobicContact CG1-CG 4.47Å; I97-I148 HydrophobicContact CD1-CD1 3.9Å; I97-I148 HydrophobicContact CD1-CG1 4.21Å
98	D	97.8	Very high	97.5	Very high	20 Å²	20	62.3 Å²	62.3	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-46.8	179.7	179.9	77.3	0	0	0	112.4	S94 K96 E100 A101 R275 R423 R426	S94-D98 PolarHBondContact O-N 3.27Å; K96-D98 VanDerWaalsContact C-N 3.32Å; K96-D98 PolarHBondContact O-N 2.75Å; D98-E100 PolarHBondContact O-N 2.71Å; D98-A101 PolarHBondContact O-N 3.14Å; D98-R275 VanDerWaalsContact OD1-CD 3.28Å; D98-R275 WeakPolarHBondContact OD1-CD 3.42Å; D98-R275 WeakPolarHBondContact OD1-CG 3.35Å; D98-R423 HydrophobicContact CB-CG 4.31Å; D98-R426 VanDerWaalsContact CG-NH2 3.27Å; D98-R426 IonicContact OD1-CZ 2.71Å; D98-R426 IonicContact OD1-NH1 3.58Å; D98-R426 PolarHBondContact OD1-NH1 2.9Å; D98-R426 IonicContact OD1-NH2 3.43Å; D98-R426 PolarHBondContact OD1-NH2 3.41Å; D98-R426 IonicContact OD2-CZ 2.72Å; D98-R426 IonicContact OD2-NH1 3.58Å; D98-R426 IonicContact OD2-NH2 2.68Å; D98-R426 PolarHBondContact OD2-NH2 3.34Å
99	R	96.5	Very high	97.5	Very high	164 Å²	164	65.5 Å²	65.5	62%	0.619	34%	0.338	S	S	*	.	H	α-helix	trans	-64.1	-40.8	-178.6	-177.2	-179.5	63.4	-115.1	-4.4	112.7	A95 K96 A101	A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.22Å; A95-R99 PolarHBondContact O-N 2.95Å; K96-R99 PolarHBondContact O-N 2.83Å; R99-A101 VanDerWaalsContact C-N 3.31Å
100	E	97.2	Very high	97.6	Very high	98 Å²	98	61 Å²	61	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-86.2	-6.1	-179.2	-65.3	178.3	-171.6	0	0	112.5	K96 D98 K102	K96-E100 VanDerWaalsContact CE-OE1 3.29Å; K96-E100 WeakPolarHBondContact CE-OE1 3.39Å; K96-E100 WeakPolarHBondContact CE-OE2 3.27Å; K96-E100 VanDerWaalsContact CG-CD 3.46Å; K96-E100 HydrophobicContact CG-CG 4.23Å; K96-E100 VanDerWaalsContact CG-OE1 3.31Å; K96-E100 WeakPolarHBondContact CG-OE1 3.41Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 2.78Å; D98-E100 PolarHBondContact O-N 2.71Å; E100-K102 PolarHBondContact O-N 2.85Å
101	A	97.5	Very high	97.7	Very high	45 Å²	45	54.4 Å²	54.4	37%	0.372	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.9	-176.2	0	0	0	0	0	112.8	I97 D98 R99 R275	I97-A101 WeakPolarHBondContact O-CA 3.45Å; I97-A101 PolarHBondContact O-N 2.78Å; D98-A101 PolarHBondContact O-N 3.14Å; R99-A101 VanDerWaalsContact C-N 3.31Å; A101-R275 CarbonylContact C-O 3.56Å; A101-R275 VanDerWaalsContact C-O 3.26Å; A101-R275 VanDerWaalsContact CA-O 3.29Å; A101-R275 WeakPolarHBondContact CA-O 3.18Å; A101-R275 HydrophobicContact CB-CB 4.1Å
102	K	97.3	Very high	97.8	Very high	141 Å²	141	51.5 Å²	51.5	61%	0.613	27%	0.271	S	S	*	.	S	Bend	trans	-157.4	140.7	-178.3	-177.7	177.1	176.8	-177.5	0	110.6	I97 E100 P104	I97-K102 PolarHBondContact O-N 2.66Å; E100-K102 PolarHBondContact O-N 2.85Å; K102-P104 WeakPolarHBondContact O-CD 3.45Å
103	I	98.3	Very high	97.7	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.041	30%	0.3	C	S	.	.			trans	-78.2	122.9	167.4	-56	169.4	0	0	0	108.9	I97 T107 L108 I148 T151	I97-I103 HydrophobicContact CG2-CG1 4.09Å; I103-T107 HydrophobicContact CG2-CG2 3.97Å; I103-L108 HydrophobicContact CB-CD2 4.3Å; I103-L108 HydrophobicContact CB-CG 4.2Å; I103-L108 HydrophobicContact CD1-CD2 4.45Å; I103-L108 HydrophobicContact CG2-CD2 3.91Å; I103-L108 HydrophobicContact CG2-CG 3.74Å; I103-I148 HydrophobicContact CD1-CG1 4Å; I103-I148 HydrophobicContact CG1-CG1 4.38Å; I103-I148 HydrophobicContact CG2-CG1 4.44Å; I103-T151 HydrophobicContact CD1-CG2 4.17Å; I103-T151 VanDerWaalsContact CD1-OG1 3.25Å; I103-T151 WeakPolarHBondContact CD1-OG1 3.5Å
104	P	97.8	Very high	97.7	Very high	13 Å²	13	56.2 Å²	56.2	8%	0.084	29%	0.291	C	S	.	.			trans	-60.3	150.9	177.7	-22.9	32.5	0	0	0	112.8	K96 I97 K102 E106 T107 L108	K96-P104 HydrophobicContact CD-CG 4.31Å; I97-P104 HydrophobicContact CG1-CG 4.47Å; K102-P104 WeakPolarHBondContact O-CD 3.45Å; P104-E106 VanDerWaalsContact C-N 3.28Å; P104-E106 HydrophobicContact CB-CG 4.03Å; P104-E106 WeakPolarHBondContact CB-OE1 3.33Å; P104-E106 WeakPolarHBondContact CB-OE2 3.08Å; P104-E106 PolarHBondContact O-N 3.44Å; P104-T107 PolarHBondContact O-N 2.9Å; P104-L108 PolarHBondContact O-N 3.44Å
105	A	97.1	Very high	97.7	Very high	60 Å²	60	56.1 Å²	56.1	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-36.2	-177.1	0	0	0	0	0	111.8	T107 L108 N109	A105-T107 VanDerWaalsContact C-N 3.34Å; A105-T107 PolarHBondContact O-N 2.86Å; A105-L108 PolarHBondContact O-N 3.25Å; A105-N109 WeakPolarHBondContact O-CB 3.38Å; A105-N109 VanDerWaalsContact O-CG 3.23Å; A105-N109 PolarHBondContact O-N 3.08Å; A105-N109 PolarHBondContact O-ND2 2.9Å
106	E	97.7	Very high	97.8	Very high	112 Å²	112	53.7 Å²	53.7	52%	0.523	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-44.9	173.6	61.1	-85	-156.8	0	0	111.8	K96 P104 N109 G110	K96-E106 IonicContact NZ-OE1 3.69Å; K96-E106 PolarHBondContact NZ-OE1 3.4Å; P104-E106 VanDerWaalsContact C-N 3.28Å; P104-E106 HydrophobicContact CB-CG 4.03Å; P104-E106 WeakPolarHBondContact CB-OE1 3.33Å; P104-E106 WeakPolarHBondContact CB-OE2 3.08Å; P104-E106 PolarHBondContact O-N 3.44Å; E106-N109 PolarHBondContact O-N 3.12Å; E106-G110 PolarHBondContact O-N 3.26Å
107	T	98.4	Very high	97.8	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-45.4	177	-53.3	0	0	0	0	110.9	F87 V92 I103 P104 A105 N109 G110 L111 I148	F87-T107 HydrophobicContact CE1-CG2 4.28Å; F87-T107 HydrophobicContact CZ-CG2 4.16Å; V92-T107 HydrophobicContact CG2-CG2 4.14Å; I103-T107 HydrophobicContact CG2-CG2 3.97Å; P104-T107 PolarHBondContact O-N 2.9Å; A105-T107 VanDerWaalsContact C-N 3.34Å; A105-T107 PolarHBondContact O-N 2.86Å; T107-N109 VanDerWaalsContact C-N 3.3Å; T107-N109 PolarHBondContact O-N 2.76Å; T107-G110 PolarHBondContact O-N 3.49Å; T107-L111 VanDerWaalsContact O-CG 3.31Å; T107-L111 WeakPolarHBondContact O-CG 3.46Å; T107-L111 PolarHBondContact O-N 3.41Å; T107-I148 HydrophobicContact CG2-CD1 3.83Å
108	L	97.8	Very high	97.8	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-41.4	176.3	-75.2	173.7	0	0	0	112.2	I103 P104 A105 L111 K112 F117	I103-L108 HydrophobicContact CB-CD2 4.3Å; I103-L108 HydrophobicContact CB-CG 4.2Å; I103-L108 HydrophobicContact CD1-CD2 4.45Å; I103-L108 HydrophobicContact CG2-CD2 3.91Å; I103-L108 HydrophobicContact CG2-CG 3.74Å; P104-L108 PolarHBondContact O-N 3.44Å; A105-L108 PolarHBondContact O-N 3.25Å; L108-L111 HydrophobicContact CD2-CD1 4.46Å; L108-L111 PolarHBondContact O-N 3.09Å; L108-K112 WeakPolarHBondContact O-CG 3.48Å; L108-K112 PolarHBondContact O-N 3.32Å; L108-K112 VanDerWaalsContact O-N 3.08Å; L108-F117 HydrophobicContact CD2-CZ 4.3Å
109	N	98.2	Very high	97.7	Very high	82 Å²	82	50.4 Å²	50.4	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-66	-42.2	177.4	-71	-19.6	0	0	0	111.7	A105 E106 T107 L111 K112 E113	A105-N109 WeakPolarHBondContact O-CB 3.38Å; A105-N109 VanDerWaalsContact O-CG 3.23Å; A105-N109 PolarHBondContact O-N 3.08Å; A105-N109 PolarHBondContact O-ND2 2.9Å; E106-N109 PolarHBondContact O-N 3.12Å; T107-N109 VanDerWaalsContact C-N 3.3Å; T107-N109 PolarHBondContact O-N 2.76Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.19Å; N109-K112 WeakPolarHBondContact O-CB 3.17Å; N109-K112 PolarHBondContact O-N 3.38Å; N109-K112 VanDerWaalsContact O-N 3.09Å; N109-E113 WeakPolarHBondContact O-CG 3.31Å; N109-E113 PolarHBondContact O-N 3.37Å
110	G	98.4	Very high	97.6	Very high	10 Å²	10	43.8 Å²	43.8	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-41.6	174	0	0	0	0	0	112.7	E106 T107 K112 E113 L114	E106-G110 PolarHBondContact O-N 3.26Å; T107-G110 PolarHBondContact O-N 3.49Å; G110-K112 VanDerWaalsContact C-N 3.32Å; G110-K112 PolarHBondContact O-N 3.35Å; G110-E113 PolarHBondContact O-N 3.3Å; G110-L114 WeakPolarHBondContact O-CB 3.34Å; G110-L114 VanDerWaalsContact O-CG 3.31Å; G110-L114 WeakPolarHBondContact O-CG 3.38Å; G110-L114 PolarHBondContact O-N 3Å
111	L	98.4	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-37.7	174.2	-62.8	171.4	0	0	0	112.4	F87 F88 T107 L108 N109 G115 L116 F117 I148 L152	F87-L111 HydrophobicContact CD1-CD2 4.22Å; F87-L111 HydrophobicContact CE1-CD2 3.66Å; F87-L111 HydrophobicContact CE1-CG 4.03Å; F88-L111 HydrophobicContact CE2-CD2 3.98Å; F88-L111 HydrophobicContact CZ-CD2 4.03Å; T107-L111 VanDerWaalsContact O-CG 3.31Å; T107-L111 WeakPolarHBondContact O-CG 3.46Å; T107-L111 PolarHBondContact O-N 3.41Å; L108-L111 HydrophobicContact CD2-CD1 4.46Å; L108-L111 PolarHBondContact O-N 3.09Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.19Å; L111-G115 PolarHBondContact O-N 3.37Å; L111-L116 HydrophobicContact CD2-CD1 3.66Å; L111-L116 WeakPolarHBondContact O-CB 3.32Å; L111-L116 PolarHBondContact O-N 2.88Å; L111-F117 HydrophobicContact CB-CE2 3.92Å; L111-I148 HydrophobicContact CD1-CD1 4.48Å; L111-I148 HydrophobicContact CD1-CG1 4.36Å; L111-I148 HydrophobicContact CD1-CG2 3.57Å; L111-I148 HydrophobicContact CD2-CG2 3.96Å; L111-I148 HydrophobicContact CG-CG2 4.43Å; L111-L152 HydrophobicContact CD2-CD1 4.42Å
112	K	98.5	Very high	97.6	Very high	62 Å²	62	39.3 Å²	39.3	27%	0.27	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-45.1	175.1	-68	177	-168.8	-164.9	0	111.9	L108 N109 G110 L114 G115 F117 G182	L108-K112 WeakPolarHBondContact O-CG 3.48Å; L108-K112 PolarHBondContact O-N 3.32Å; L108-K112 VanDerWaalsContact O-N 3.08Å; N109-K112 WeakPolarHBondContact O-CB 3.17Å; N109-K112 PolarHBondContact O-N 3.38Å; N109-K112 VanDerWaalsContact O-N 3.09Å; G110-K112 VanDerWaalsContact C-N 3.32Å; G110-K112 PolarHBondContact O-N 3.35Å; K112-L114 PolarHBondContact O-N 2.75Å; K112-G115 WeakPolarHBondContact O-CA 3.18Å; K112-G115 PolarHBondContact O-N 2.88Å; K112-F117 HydrophobicContact CB-CD2 4.37Å; K112-F117 HydrophobicContact CG-CD2 3.58Å; K112-F117 HydrophobicContact CG-CE2 3.56Å; K112-F117 HydrophobicContact CG-CG 4.49Å; K112-F117 HydrophobicContact CG-CZ 4.49Å; K112-G182 WeakPolarHBondContact CE-O 3.08Å; K112-G182 PolarHBondContact NZ-O 3.24Å
113	E	97.8	Very high	97.6	Very high	154 Å²	154	39 Å²	39	72%	0.72	21%	0.21	S	C	*	.	H	α-helix	trans	-62.3	-32.8	178.5	-73	177.9	-172.7	0	0	112.4	N109 G110 G115	N109-E113 WeakPolarHBondContact O-CG 3.31Å; N109-E113 PolarHBondContact O-N 3.37Å; G110-E113 PolarHBondContact O-N 3.3Å; E113-G115 PolarHBondContact O-N 3.01Å
114	L	97.7	Very high	97.5	Very high	45 Å²	45	46 Å²	46	24%	0.236	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.6	172.6	-69.9	170.2	0	0	0	113.9	P83 V84 F87 G110 K112 L116	P83-L114 HydrophobicContact CB-CD2 3.94Å; V84-L114 HydrophobicContact CG2-CD1 4.47Å; F87-L114 HydrophobicContact CB-CD1 3.7Å; F87-L114 HydrophobicContact CD1-CD1 3.82Å; F87-L114 HydrophobicContact CD2-CD1 4.24Å; F87-L114 HydrophobicContact CG-CD1 3.65Å; G110-L114 WeakPolarHBondContact O-CB 3.34Å; G110-L114 VanDerWaalsContact O-CG 3.31Å; G110-L114 WeakPolarHBondContact O-CG 3.38Å; G110-L114 PolarHBondContact O-N 3Å; K112-L114 PolarHBondContact O-N 2.75Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 HydrophobicContact CB-CD1 4.19Å; L114-L116 HydrophobicContact CB-CG 3.84Å; L114-L116 HydrophobicContact CD1-CD1 4.2Å; L114-L116 PolarHBondContact O-N 3.39Å
115	G	97.6	Very high	97.5	Very high	15 Å²	15	45.9 Å²	45.9	16%	0.155	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	14.8	-179	0	0	0	0	0	114.7	L111 K112 E113 F117 G118	L111-G115 PolarHBondContact O-N 3.37Å; K112-G115 WeakPolarHBondContact O-CA 3.18Å; K112-G115 PolarHBondContact O-N 2.88Å; E113-G115 PolarHBondContact O-N 3.01Å; G115-F117 PolarHBondContact O-N 2.72Å; G115-F117 VanDerWaalsContact O-N 3.16Å; G115-G118 PolarHBondContact O-N 3.27Å
116	L	98	Very high	97.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.8	-171.6	-60.5	-178.5	0	0	0	114.5	V84 F88 L111 L114 I119 L138 I142 L152 Q156	V84-L116 HydrophobicContact CG1-CD1 4.24Å; V84-L116 HydrophobicContact CG2-CD1 4.39Å; V84-L116 HydrophobicContact CG2-CD2 3.93Å; F88-L116 HydrophobicContact CE2-CD1 4.25Å; L111-L116 HydrophobicContact CD2-CD1 3.66Å; L111-L116 WeakPolarHBondContact O-CB 3.32Å; L111-L116 PolarHBondContact O-N 2.88Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 HydrophobicContact CB-CD1 4.19Å; L114-L116 HydrophobicContact CB-CG 3.84Å; L114-L116 HydrophobicContact CD1-CD1 4.2Å; L114-L116 PolarHBondContact O-N 3.39Å; L116-I119 HydrophobicContact CB-CD1 4.44Å; L116-I119 HydrophobicContact CD2-CD1 4.06Å; L116-I119 HydrophobicContact CD2-CG1 4.3Å; L116-I119 WeakPolarHBondContact O-CG1 3.2Å; L116-L138 HydrophobicContact CD2-CD1 4.36Å; L116-I142 HydrophobicContact CD2-CD1 4.45Å; L116-L152 HydrophobicContact CB-CD1 4.04Å; L116-L152 HydrophobicContact CB-CD2 4.43Å; L116-Q156 PolarHBondContact O-NE2 3.1Å
117	F	98.4	Very high	97.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-22.9	169.5	-76.4	-92.5	0	0	0	112.2	L108 L111 K112 G115 L152 H155 I185	L108-F117 HydrophobicContact CD2-CZ 4.3Å; L111-F117 HydrophobicContact CB-CE2 3.92Å; K112-F117 HydrophobicContact CB-CD2 4.37Å; K112-F117 HydrophobicContact CG-CD2 3.58Å; K112-F117 HydrophobicContact CG-CE2 3.56Å; K112-F117 HydrophobicContact CG-CG 4.49Å; K112-F117 HydrophobicContact CG-CZ 4.49Å; G115-F117 PolarHBondContact O-N 2.72Å; G115-F117 VanDerWaalsContact O-N 3.16Å; F117-L152 HydrophobicContact CD1-CD2 4.04Å; F117-L152 HydrophobicContact CD2-CD2 3.9Å; F117-L152 HydrophobicContact CE1-CD2 3.84Å; F117-L152 HydrophobicContact CE2-CD2 3.74Å; F117-L152 HydrophobicContact CG-CD2 4.06Å; F117-L152 HydrophobicContact CZ-CD2 3.7Å; F117-H155 HydrophobicContact CD1-CB 4.31Å; F117-H155 AromaticContact CD1-CD2 3.51Å; F117-H155 AromaticContact CD1-CE1 4Å; F117-H155 AromaticContact CD1-CG 3.73Å; F117-H155 AromaticContact CD1-NE2 3.71Å; F117-H155 PolarHBondContact O-CD2 3.02Å; F117-H155 PolarHBondContact O-NE2 3.4Å; F117-I185 HydrophobicContact CD1-CD1 3.71Å; F117-I185 HydrophobicContact CE1-CD1 3.36Å; F117-I185 HydrophobicContact CZ-CD1 4.05Å
118	G	97.3	Very high	97.3	Very high	1 Å²	1	42 Å²	42	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	-115.5	27.7	-174.4	0	0	0	0	0	115.6	G115 M120 I121 G127 L128 A180	G115-G118 PolarHBondContact O-N 3.27Å; G118-M120 PolarHBondContact O-N 2.9Å; G118-I121 PolarHBondContact O-N 2.9Å; G118-G127 WeakPolarHBondContact O-CA 3.44Å; G118-L128 PolarHBondContact O-N 2.8Å; G118-A180 PolarHBondContact N-O 3.36Å
119	I	96.4	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-49.5	-166.3	-54.7	174	0	0	0	112.6	L116 G129 L130 Y135 L138 I142	L116-I119 HydrophobicContact CB-CD1 4.44Å; L116-I119 HydrophobicContact CD2-CD1 4.06Å; L116-I119 HydrophobicContact CD2-CG1 4.3Å; L116-I119 WeakPolarHBondContact O-CG1 3.2Å; I119-G129 PolarHBondContact O-N 3.06Å; I119-L130 HydrophobicContact CG2-CB 3.96Å; I119-L130 HydrophobicContact CG2-CD1 3.63Å; I119-L130 HydrophobicContact CG2-CG 3.93Å; I119-L130 WeakPolarHBondContact O-CB 3.2Å; I119-L130 PolarHBondContact O-N 3.22Å; I119-Y135 HydrophobicContact CB-CD2 4.02Å; I119-Y135 HydrophobicContact CB-CE2 4.45Å; I119-Y135 HydrophobicContact CD1-CD2 4.11Å; I119-Y135 HydrophobicContact CD1-CE2 4.07Å; I119-Y135 HydrophobicContact CG2-CD2 3.77Å; I119-L138 HydrophobicContact CD1-CD1 4.25Å; I119-L138 HydrophobicContact CG2-CD1 3.89Å; I119-I142 HydrophobicContact CD1-CD1 3.99Å
120	M	94.8	Very high	97	Very high	26 Å²	26	38 Å²	38	13%	0.128	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2.3	-179.5	-67.6	-175.6	-76.3	0	0	113.6	G118 Y135	G118-M120 PolarHBondContact O-N 2.9Å; M120-Y135 HydrophobicContact CE-CD1 3.93Å; M120-Y135 HydrophobicContact CE-CD2 3.93Å; M120-Y135 HydrophobicContact CE-CE1 3.82Å; M120-Y135 HydrophobicContact CE-CE2 3.84Å; M120-Y135 HydrophobicContact CE-CG 3.98Å; M120-Y135 HydrophobicContact CG-CD2 3.99Å; M120-Y135 HydrophobicContact CG-CG 4.02Å; M120-Y135 HydrophobicContact SD-CD1 4.05Å; M120-Y135 HydrophobicContact SD-CD2 4.24Å; M120-Y135 HydrophobicContact SD-CG 3.89Å
121	I	97.4	Very high	96.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-72.7	131.9	177.1	-65.8	177.6	0	0	0	107.6	G118 G127 L128 G129 L160 L164 L176 L179 A180	G118-I121 PolarHBondContact O-N 2.9Å; I121-G127 CarbonylContact O-C 3.53Å; I121-G127 VanDerWaalsContact O-CA 3.24Å; I121-G127 WeakPolarHBondContact O-CA 3.42Å; I121-L128 PolarHBondContact O-N 3.06Å; I121-G129 WeakPolarHBondContact O-CA 3.29Å; I121-G129 PolarHBondContact O-N 3.02Å; I121-L160 HydrophobicContact CD1-CD1 4.05Å; I121-L160 HydrophobicContact CD1-CD2 3.89Å; I121-L160 HydrophobicContact CG1-CD1 4Å; I121-L164 HydrophobicContact CG1-CD1 4.26Å; I121-L164 HydrophobicContact CG1-CD2 4.3Å; I121-L176 HydrophobicContact CD1-CD2 4.3Å; I121-L176 HydrophobicContact CG1-CD2 4.5Å; I121-L176 HydrophobicContact CG2-CB 4.08Å; I121-L176 HydrophobicContact CG2-CD1 4.47Å; I121-L179 HydrophobicContact CD1-CB 4.28Å; I121-A180 HydrophobicContact CB-CB 4.36Å; I121-A180 HydrophobicContact CD1-CB 3.8Å; I121-A180 HydrophobicContact CG2-CB 4.15Å
122	P	97	Very high	96.6	Very high	47 Å²	47	39.3 Å²	39.3	31%	0.305	22%	0.219	S	C	.	.			trans	-56.5	146.4	178.5	-25.5	33.6	0	0	0	112.7	E124 Y125 G126 G127	P122-E124 HydrophobicContact CB-CG 4.08Å; P122-E124 PolarHBondContact O-N 3.38Å; P122-Y125 HydrophobicContact CB-CD2 3.97Å; P122-Y125 HydrophobicContact CG-CD2 4.05Å; P122-Y125 CarbonylContact O-C 3.37Å; P122-Y125 WeakPolarHBondContact O-CA 3.2Å; P122-Y125 PolarHBondContact O-N 3.07Å; P122-G126 PolarHBondContact O-N 2.77Å; P122-G127 PolarHBondContact O-N 3.2Å
123	E	96.5	Very high	96.5	Very high	135 Å²	135	37.1 Å²	37.1	63%	0.631	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-57.5	-34.1	-179.5	-64.4	-178.6	175.1	0	0	113.3	Y125 G126	E123-Y125 PolarHBondContact O-N 2.71Å; E123-Y125 VanDerWaalsContact O-N 3.1Å; E123-G126 PolarHBondContact O-N 2.76Å
124	E	97.3	Very high	96.5	Very high	154 Å²	154	30 Å²	30	72%	0.72	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-61.5	-19.7	176.4	67.8	-178.2	156.4	0	0	113.1	P122	P122-E124 HydrophobicContact CB-CG 4.08Å; P122-E124 PolarHBondContact O-N 3.38Å
125	Y	97.9	Very high	96.4	Very high	12 Å²	12	27.9 Å²	27.9	5%	0.047	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-105.6	15.9	174	-60.8	-61	0	0	0	112.5	P122 E123 G127 E169 K172 K173 L176 P177	P122-Y125 HydrophobicContact CB-CD2 3.97Å; P122-Y125 HydrophobicContact CG-CD2 4.05Å; P122-Y125 CarbonylContact O-C 3.37Å; P122-Y125 WeakPolarHBondContact O-CA 3.2Å; P122-Y125 PolarHBondContact O-N 3.07Å; E123-Y125 PolarHBondContact O-N 2.71Å; E123-Y125 VanDerWaalsContact O-N 3.1Å; Y125-G127 PolarHBondContact O-N 2.68Å; Y125-E169 PolarHBondContact OH-OE2 3.43Å; Y125-K172 HydrophobicContact CD1-CB 4.49Å; Y125-K172 HydrophobicContact CE1-CB 3.82Å; Y125-K172 HydrophobicContact CE2-CB 4.15Å; Y125-K172 HydrophobicContact CE2-CD 4.13Å; Y125-K173 HydrophobicContact CE1-CB 4.43Å; Y125-K173 HydrophobicContact CE1-CG 3.71Å; Y125-L176 HydrophobicContact CD1-CB 4.39Å; Y125-L176 HydrophobicContact CD1-CD1 4.33Å; Y125-L176 HydrophobicContact CD2-CD1 3.64Å; Y125-L176 HydrophobicContact CE2-CD1 4.16Å; Y125-L176 HydrophobicContact CG-CB 4.03Å; Y125-L176 HydrophobicContact CG-CD1 3.76Å; Y125-P177 WeakPolarHBondContact O-CA 3.17Å
126	G	96.4	Very high	96.4	Very high	56 Å²	56	27.1 Å²	27.1	58%	0.577	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	11	175	0	0	0	0	0	115.7	P122 E123 A180	P122-G126 PolarHBondContact O-N 2.77Å; E123-G126 PolarHBondContact O-N 2.76Å; G126-A180 WeakPolarHBondContact O-CB 3.5Å
127	G	97	Very high	96.3	Very high	11 Å²	11	29.9 Å²	29.9	11%	0.113	17%	0.17	C	C	.	.	S	Bend	trans	-88.1	-173.6	172	0	0	0	0	0	113.5	G118 I121 P122 Y125	G118-G127 WeakPolarHBondContact O-CA 3.44Å; I121-G127 CarbonylContact O-C 3.53Å; I121-G127 VanDerWaalsContact O-CA 3.24Å; I121-G127 WeakPolarHBondContact O-CA 3.42Å; P122-G127 PolarHBondContact O-N 3.2Å; Y125-G127 PolarHBondContact O-N 2.68Å
128	L	95.4	Very high	96.3	Very high	33 Å²	33	30 Å²	30	17%	0.173	17%	0.17	C	C	.	.			trans	-86.7	-15.1	179.1	-58.8	-176.8	0	0	0	113.3	F80 G118 I121 L130	F80-L128 HydrophobicContact CD1-CD1 4.21Å; F80-L128 HydrophobicContact CE1-CD1 3.89Å; F80-L128 HydrophobicContact CE1-CD2 3.82Å; F80-L128 HydrophobicContact CE1-CG 4.35Å; F80-L128 HydrophobicContact CZ-CD1 4.48Å; F80-L128 HydrophobicContact CZ-CD2 4.16Å; G118-L128 PolarHBondContact O-N 2.8Å; I121-L128 PolarHBondContact O-N 3.06Å; L128-L130 HydrophobicContact CB-CD1 4.46Å; L128-L130 HydrophobicContact CB-CD2 3.95Å; L128-L130 HydrophobicContact CB-CG 3.74Å; L128-L130 HydrophobicContact CD1-CD1 4.39Å; L128-L130 WeakPolarHBondContact O-CD2 3.35Å; L128-L130 PolarHBondContact O-N 3.14Å
129	G	94.4	Very high	96.3	Very high	22 Å²	22	30.2 Å²	30.2	23%	0.227	17%	0.171	C	C	.	.			trans	66.9	16	177.7	0	0	0	0	0	115.6	I119 I121	I119-G129 PolarHBondContact O-N 3.06Å; I121-G129 WeakPolarHBondContact O-CA 3.29Å; I121-G129 PolarHBondContact O-N 3.02Å
130	L	94.4	Very high	96.4	Very high	10 Å²	10	31 Å²	31	5%	0.052	17%	0.174	C	C	.	.			trans	-68.8	146.6	-172	-54.6	-161.2	0	0	0	112.1	F80 I119 L128 M134 L138	F80-L130 HydrophobicContact CD2-CD1 4.25Å; F80-L130 HydrophobicContact CD2-CD2 4.01Å; F80-L130 HydrophobicContact CE2-CD2 3.6Å; F80-L130 HydrophobicContact CG-CD1 4.48Å; F80-L130 HydrophobicContact CZ-CD2 4.15Å; I119-L130 HydrophobicContact CG2-CB 3.96Å; I119-L130 HydrophobicContact CG2-CD1 3.63Å; I119-L130 HydrophobicContact CG2-CG 3.93Å; I119-L130 WeakPolarHBondContact O-CB 3.2Å; I119-L130 PolarHBondContact O-N 3.22Å; L128-L130 HydrophobicContact CB-CD1 4.46Å; L128-L130 HydrophobicContact CB-CD2 3.95Å; L128-L130 HydrophobicContact CB-CG 3.74Å; L128-L130 HydrophobicContact CD1-CD1 4.39Å; L128-L130 WeakPolarHBondContact O-CD2 3.35Å; L128-L130 PolarHBondContact O-N 3.14Å; L130-M134 HydrophobicContact CB-CB 3.81Å; L130-M134 HydrophobicContact CB-SD 4.07Å; L130-M134 HydrophobicContact CD1-CB 4.15Å; L130-M134 HydrophobicContact CD2-CE 3.65Å; L130-M134 HydrophobicContact CD2-SD 4.02Å; L130-M134 HydrophobicContact CG-CB 4.47Å; L130-M134 HydrophobicContact CG-CE 4.49Å; L130-L138 HydrophobicContact CD1-CD1 3.63Å
131	S	94.1	Very high	96.5	Very high	9 Å²	9	30 Å²	30	6%	0.063	17%	0.17	C	C	.	.			trans	-70.5	169.8	174.7	69.6	0	0	0	0	112.1	E73 T133 M134 Y135	E73-S131 VanDerWaalsContact OE1-CB 3.31Å; E73-S131 WeakPolarHBondContact OE1-CB 3.27Å; E73-S131 PolarHBondContact OE1-OG 3.11Å; S131-T133 PolarHBondContact O-N 2.95Å; S131-M134 PolarHBondContact O-N 3.43Å; S131-M134 WeakPolarHBondContact OG-CG 3.32Å; S131-M134 PolarHBondContact OG-N 3.07Å; S131-Y135 WeakPolarHBondContact O-CB 3.42Å; S131-Y135 PolarHBondContact O-N 3.01Å
132	N	95.1	Very high	96.6	Very high	29 Å²	29	30 Å²	30	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-36.8	175.5	-64.4	-78.7	0	0	0	110.8	Y135 A136 F314 A373 M376 D377	N132-Y135 PolarHBondContact O-N 2.81Å; N132-A136 WeakPolarHBondContact O-CB 3.45Å; N132-A136 PolarHBondContact O-N 3Å; N132-F314 HydrophobicContact CB-CE1 4.15Å; N132-F314 HydrophobicContact CB-CE2 4.01Å; N132-F314 HydrophobicContact CB-CZ 3.52Å; N132-F314 WeakPolarHBondContact O-CE2 3.41Å; N132-F314 WeakPolarHBondContact OD1-CE1 3.22Å; N132-A373 HydrophobicContact CB-CB 4.12Å; N132-M376 HydrophobicContact CB-CB 4.4Å; N132-D377 WeakPolarHBondContact CB-OD1 3.47Å; N132-D377 PolarHBondContact N-OD1 3.47Å; N132-D377 PolarHBondContact N-OD2 2.93Å; N132-D377 PolarHBondContact ND2-OD1 2.71Å
133	T	96.4	Very high	96.6	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.098	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-46.3	176.3	-62.3	0	0	0	0	111.7	I69 S131 A136 R137 Y370 D377	I69-T133 HydrophobicContact CG2-CG2 3.7Å; S131-T133 PolarHBondContact O-N 2.95Å; T133-A136 WeakPolarHBondContact O-CB 3.31Å; T133-A136 PolarHBondContact O-N 2.86Å; T133-R137 PolarHBondContact O-N 3.06Å; T133-R137 VanDerWaalsContact O-N 3.15Å; T133-Y370 HydrophobicContact CG2-CD1 3.87Å; T133-Y370 HydrophobicContact CG2-CE1 3.96Å; T133-D377 VanDerWaalsContact CB-OD2 3.25Å; T133-D377 WeakPolarHBondContact CB-OD2 3.49Å; T133-D377 PolarHBondContact N-OD2 3.44Å; T133-D377 PolarHBondContact OG1-OD2 2.85Å
134	M	95.9	Very high	96.6	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-39.8	176.1	-61.2	174.7	90.1	0	0	111.8	E73 E76 V77 L130 S131 A136 R137 L138	E73-M134 HydrophobicContact CG-CE 4.2Å; E73-M134 HydrophobicContact CG-CG 4.08Å; E73-M134 HydrophobicContact CG-SD 3.7Å; E76-M134 HydrophobicContact CB-CE 3.98Å; E76-M134 HydrophobicContact CG-CE 3.62Å; V77-M134 HydrophobicContact CG2-CB 4.1Å; V77-M134 HydrophobicContact CG2-CE 3.69Å; V77-M134 HydrophobicContact CG2-CG 3.48Å; V77-M134 VanDerWaalsContact CG2-CG 3.48Å; V77-M134 HydrophobicContact CG2-SD 4.4Å; L130-M134 HydrophobicContact CB-CB 3.81Å; L130-M134 HydrophobicContact CB-SD 4.07Å; L130-M134 HydrophobicContact CD1-CB 4.15Å; L130-M134 HydrophobicContact CD2-CE 3.65Å; L130-M134 HydrophobicContact CD2-SD 4.02Å; L130-M134 HydrophobicContact CG-CB 4.47Å; L130-M134 HydrophobicContact CG-CE 4.49Å; S131-M134 PolarHBondContact O-N 3.43Å; S131-M134 WeakPolarHBondContact OG-CG 3.32Å; S131-M134 PolarHBondContact OG-N 3.07Å; M134-A136 VanDerWaalsContact C-N 3.33Å; M134-A136 PolarHBondContact O-N 3.48Å; M134-R137 PolarHBondContact O-N 3.03Å; M134-L138 PolarHBondContact O-N 2.82Å; M134-L138 VanDerWaalsContact O-N 3.15Å
135	Y	96.1	Very high	96.6	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-41.4	172.7	179.7	-107.4	0	0	0	111.6	I119 M120 S131 N132 R137 L138 N139 Q156 F314	I119-Y135 HydrophobicContact CB-CD2 4.02Å; I119-Y135 HydrophobicContact CB-CE2 4.45Å; I119-Y135 HydrophobicContact CD1-CD2 4.11Å; I119-Y135 HydrophobicContact CD1-CE2 4.07Å; I119-Y135 HydrophobicContact CG2-CD2 3.77Å; M120-Y135 HydrophobicContact CE-CD1 3.93Å; M120-Y135 HydrophobicContact CE-CD2 3.93Å; M120-Y135 HydrophobicContact CE-CE1 3.82Å; M120-Y135 HydrophobicContact CE-CE2 3.84Å; M120-Y135 HydrophobicContact CE-CG 3.98Å; M120-Y135 HydrophobicContact CG-CD2 3.99Å; M120-Y135 HydrophobicContact CG-CG 4.02Å; M120-Y135 HydrophobicContact SD-CD1 4.05Å; M120-Y135 HydrophobicContact SD-CD2 4.24Å; M120-Y135 HydrophobicContact SD-CG 3.89Å; S131-Y135 WeakPolarHBondContact O-CB 3.42Å; S131-Y135 PolarHBondContact O-N 3.01Å; N132-Y135 PolarHBondContact O-N 2.81Å; Y135-R137 VanDerWaalsContact C-N 3.3Å; Y135-R137 PolarHBondContact O-N 3.3Å; Y135-L138 PolarHBondContact O-N 2.94Å; Y135-N139 VanDerWaalsContact CD1-ND2 3.29Å; Y135-N139 WeakPolarHBondContact CD1-ND2 3.2Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.36Å; Y135-N139 VanDerWaalsContact CE2-ND2 3.34Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.31Å; Y135-N139 PolarHBondContact O-N 2.84Å; Y135-N139 VanDerWaalsContact O-N 3.08Å; Y135-N139 PolarHBondContact O-ND2 3.47Å; Y135-Q156 HydrophobicContact CE2-CG 4.19Å; Y135-F314 HydrophobicContact CD1-CE2 4.5Å; Y135-F314 AromaticContact CD1-CZ 3.89Å; Y135-F314 HydrophobicContact CD1-CZ 3.89Å
136	A	97.4	Very high	96.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.7	-44.2	175.1	0	0	0	0	0	111.3	N132 T133 M134 N139 E140 F314 S318 Y370	N132-A136 WeakPolarHBondContact O-CB 3.45Å; N132-A136 PolarHBondContact O-N 3Å; T133-A136 WeakPolarHBondContact O-CB 3.31Å; T133-A136 PolarHBondContact O-N 2.86Å; M134-A136 VanDerWaalsContact C-N 3.33Å; M134-A136 PolarHBondContact O-N 3.48Å; A136-N139 PolarHBondContact O-N 3.29Å; A136-E140 PolarHBondContact O-N 3.26Å; A136-F314 HydrophobicContact CB-CE2 4.14Å; A136-S318 WeakPolarHBondContact CA-OG 3.37Å; A136-S318 WeakPolarHBondContact O-CB 3.46Å; A136-S318 PolarHBondContact O-OG 2.8Å; A136-Y370 HydrophobicContact CB-CE1 4.26Å; A136-Y370 HydrophobicContact CB-CE2 4.37Å
137	R	97.5	Very high	96.7	Very high	60 Å²	60	13.3 Å²	13.3	23%	0.226	8%	0.08	C	C	.	.	H	α-helix	trans	-63.8	-41.2	-179.5	-178.5	59	-172.8	93.4	-2.7	113.8	V77 V81 E85 T133 M134 Y135 N139 E140 Y370	V77-R137 HydrophobicContact CG1-CB 4.34Å; V77-R137 HydrophobicContact CG1-CG 3.74Å; V81-R137 VanDerWaalsContact CG1-NH2 3.33Å; V81-R137 HydrophobicContact CG2-CG 3.66Å; E85-R137 IonicContact OE1-CZ 2.68Å; E85-R137 IonicContact OE1-NH1 3.32Å; E85-R137 IonicContact OE1-NH2 3.88Å; E85-R137 PolarHBondContact OE1-NH2 3.32Å; T133-R137 PolarHBondContact O-N 3.06Å; T133-R137 VanDerWaalsContact O-N 3.15Å; M134-R137 PolarHBondContact O-N 3.03Å; Y135-R137 VanDerWaalsContact C-N 3.3Å; Y135-R137 PolarHBondContact O-N 3.3Å; R137-N139 VanDerWaalsContact C-N 3.34Å; R137-E140 PolarHBondContact O-N 3.36Å; R137-Y370 WeakPolarHBondContact CA-OH 3.41Å; R137-Y370 WeakPolarHBondContact CB-OH 3.27Å; R137-Y370 VanDerWaalsContact CD-OH 3.25Å; R137-Y370 WeakPolarHBondContact CD-OH 3.39Å; R137-Y370 PolarHBondContact N-OH 2.89Å
138	L	97.6	Very high	96.8	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-68	-36.1	175.7	-67	-176.5	0	0	0	111.6	F80 V81 V84 L116 I119 L130 M134 Y135 E140 I141 I142	F80-L138 HydrophobicContact CB-CD2 4.23Å; V81-L138 HydrophobicContact CG2-CD2 4.21Å; V84-L138 HydrophobicContact CG2-CD2 4.3Å; L116-L138 HydrophobicContact CD2-CD1 4.36Å; I119-L138 HydrophobicContact CD1-CD1 4.25Å; I119-L138 HydrophobicContact CG2-CD1 3.89Å; L130-L138 HydrophobicContact CD1-CD1 3.63Å; M134-L138 PolarHBondContact O-N 2.82Å; M134-L138 VanDerWaalsContact O-N 3.15Å; Y135-L138 PolarHBondContact O-N 2.94Å; L138-E140 VanDerWaalsContact C-N 3.26Å; L138-E140 PolarHBondContact O-N 2.82Å; L138-I141 HydrophobicContact CD2-CD1 4.5Å; L138-I141 WeakPolarHBondContact O-CB 3.48Å; L138-I141 PolarHBondContact O-N 3.13Å; L138-I142 HydrophobicContact CB-CD1 4.21Å; L138-I142 WeakPolarHBondContact O-CG1 3.33Å; L138-I142 PolarHBondContact O-N 2.81Å
139	N	97.4	Very high	96.9	Very high	6 Å²	6	12 Å²	12	3%	0.032	7%	0.072	C	C	.	.	H	α-helix	trans	-64.7	-26.4	178.4	-82.5	-64.8	0	0	0	114.2	Y135 A136 R137 I141 I142 A143	Y135-N139 VanDerWaalsContact CD1-ND2 3.29Å; Y135-N139 WeakPolarHBondContact CD1-ND2 3.2Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.36Å; Y135-N139 VanDerWaalsContact CE2-ND2 3.34Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.31Å; Y135-N139 PolarHBondContact O-N 2.84Å; Y135-N139 VanDerWaalsContact O-N 3.08Å; Y135-N139 PolarHBondContact O-ND2 3.47Å; A136-N139 PolarHBondContact O-N 3.29Å; R137-N139 VanDerWaalsContact C-N 3.34Å; N139-I141 PolarHBondContact O-N 2.84Å; N139-I142 PolarHBondContact O-N 2.7Å; N139-A143 WeakPolarHBondContact O-CB 3.43Å; N139-A143 PolarHBondContact O-N 2.8Å
140	E	98	Very high	97.1	Very high	15 Å²	15	11.6 Å²	11.6	7%	0.07	7%	0.065	C	C	.	.	H	α-helix	trans	-58.5	-31.2	171.7	-67.8	-179.2	-114.3	0	0	112.5	A136 R137 L138 S318 G322 K325 Y370	A136-E140 PolarHBondContact O-N 3.26Å; R137-E140 PolarHBondContact O-N 3.36Å; L138-E140 VanDerWaalsContact C-N 3.26Å; L138-E140 PolarHBondContact O-N 2.82Å; E140-S318 WeakPolarHBondContact CG-O 3.36Å; E140-G322 WeakPolarHBondContact O-CA 3.26Å; E140-K325 IonicContact OE2-NZ 3.86Å; E140-K325 PolarHBondContact OE2-NZ 3.24Å; E140-Y370 VanDerWaalsContact OE1-CE2 3.32Å; E140-Y370 WeakPolarHBondContact OE1-CE2 3.48Å; E140-Y370 PolarHBondContact OE1-OH 2.97Å
141	I	98.2	Very high	97.3	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-90.7	-44.9	-178.9	-52.9	153	0	0	0	109.9	V81 V84 E85 F88 L138 N139 A143 L144	V81-I141 HydrophobicContact CG1-CD1 4.18Å; V81-I141 HydrophobicContact CG2-CD1 4.34Å; V84-I141 HydrophobicContact CG1-CB 4.29Å; V84-I141 HydrophobicContact CG1-CD1 4.32Å; V84-I141 HydrophobicContact CG1-CG2 3.94Å; E85-I141 HydrophobicContact CG-CD1 3.46Å; E85-I141 VanDerWaalsContact CG-CD1 3.46Å; E85-I141 HydrophobicContact CG-CG1 3.67Å; E85-I141 HydrophobicContact CG-CG2 4.01Å; F88-I141 HydrophobicContact CB-CG2 3.97Å; F88-I141 HydrophobicContact CD2-CG2 4.05Å; F88-I141 HydrophobicContact CG-CG2 4.01Å; L138-I141 HydrophobicContact CD2-CD1 4.5Å; L138-I141 WeakPolarHBondContact O-CB 3.48Å; L138-I141 PolarHBondContact O-N 3.13Å; N139-I141 PolarHBondContact O-N 2.84Å; I141-A143 PolarHBondContact O-N 3.05Å; I141-L144 HydrophobicContact CG2-CD1 4.46Å; I141-L144 VanDerWaalsContact O-CB 3.28Å; I141-L144 WeakPolarHBondContact O-CB 3.46Å; I141-L144 WeakPolarHBondContact O-CG 3.33Å; I141-L144 PolarHBondContact O-N 3.24Å; I141-L144 VanDerWaalsContact O-N 3.08Å
142	I	98	Very high	97.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-60	-36.8	-178.8	-67	165.9	0	0	0	110.9	F88 L116 I119 L138 N139 L144 D145 I148 A149 L152	F88-I142 WeakPolarHBondContact CE1-O 3.43Å; F88-I142 HydrophobicContact CE2-CG1 4.14Å; F88-I142 HydrophobicContact CZ-CB 4.13Å; F88-I142 HydrophobicContact CZ-CG1 4.01Å; F88-I142 HydrophobicContact CZ-CG2 4.24Å; L116-I142 HydrophobicContact CD2-CD1 4.45Å; I119-I142 HydrophobicContact CD1-CD1 3.99Å; L138-I142 HydrophobicContact CB-CD1 4.21Å; L138-I142 WeakPolarHBondContact O-CG1 3.33Å; L138-I142 PolarHBondContact O-N 2.81Å; N139-I142 PolarHBondContact O-N 2.7Å; I142-L144 PolarHBondContact O-N 3.41Å; I142-L144 VanDerWaalsContact O-N 3.13Å; I142-D145 PolarHBondContact O-N 2.86Å; I142-I148 HydrophobicContact CG2-CG2 4.32Å; I142-A149 HydrophobicContact CG2-CB 3.91Å; I142-L152 HydrophobicContact CD1-CD1 4.21Å; I142-L152 HydrophobicContact CG1-CD1 4.48Å; I142-L152 HydrophobicContact CG2-CD1 3.88Å
143	A	96.7	Very high	97.6	Very high	10 Å²	10	11 Å²	11	8%	0.083	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-5.6	179.5	0	0	0	0	0	114.9	N139 I141 D145 S319	N139-A143 WeakPolarHBondContact O-CB 3.43Å; N139-A143 PolarHBondContact O-N 2.8Å; I141-A143 PolarHBondContact O-N 3.05Å; A143-D145 PolarHBondContact O-N 2.83Å; A143-S319 VanDerWaalsContact CB-O 3.29Å; A143-S319 WeakPolarHBondContact CB-O 3.36Å
144	L	96.8	Very high	97.7	Very high	27 Å²	27	10.3 Å²	10.3	14%	0.141	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.4	172.2	-62.4	-178.7	0	0	0	112.1	F88 I141 I142 K326 Y424	F88-L144 HydrophobicContact CD1-CB 4.46Å; I141-L144 HydrophobicContact CG2-CD1 4.46Å; I141-L144 VanDerWaalsContact O-CB 3.28Å; I141-L144 WeakPolarHBondContact O-CB 3.46Å; I141-L144 WeakPolarHBondContact O-CG 3.33Å; I141-L144 PolarHBondContact O-N 3.24Å; I141-L144 VanDerWaalsContact O-N 3.08Å; I142-L144 PolarHBondContact O-N 3.41Å; I142-L144 VanDerWaalsContact O-N 3.13Å; L144-K326 HydrophobicContact CD2-CB 3.52Å; L144-K326 HydrophobicContact CD2-CG 3.86Å; L144-Y424 WeakPolarHBondContact O-CE1 3.37Å; L144-Y424 PolarHBondContact O-OH 3.06Å
145	D	98.5	Very high	97.8	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.061	C	C	.	.	S	Bend	trans	-120.2	111.8	166.5	-171.2	-69.2	0	0	0	110.7	F88 V92 S94 I142 A143 S147 I148 A149	F88-D145 HydrophobicContact CE1-CB 4.44Å; V92-D145 HydrophobicContact CG1-CB 4.41Å; S94-D145 VanDerWaalsContact CA-OD2 3.24Å; S94-D145 WeakPolarHBondContact CA-OD2 3.48Å; S94-D145 WeakPolarHBondContact CB-OD2 3.16Å; S94-D145 WeakPolarHBondContact OG-CB 3.24Å; S94-D145 PolarHBondContact OG-OD2 3.42Å; I142-D145 PolarHBondContact O-N 2.86Å; A143-D145 PolarHBondContact O-N 2.83Å; D145-S147 VanDerWaalsContact C-N 3.26Å; D145-S147 PolarHBondContact O-N 3.02Å; D145-S147 WeakPolarHBondContact OD1-CA 3.44Å; D145-S147 VanDerWaalsContact OD1-CB 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.47Å; D145-S147 PolarHBondContact OD1-N 3.15Å; D145-I148 HydrophobicContact CB-CB 4.13Å; D145-I148 HydrophobicContact CB-CD1 3.96Å; D145-I148 HydrophobicContact CB-CG1 4.13Å; D145-I148 PolarHBondContact O-N 3.35Å; D145-I148 PolarHBondContact OD1-N 3.12Å; D145-A149 WeakPolarHBondContact O-CB 3.39Å; D145-A149 PolarHBondContact O-N 3.12Å
146	G	97.8	Very high	97.7	Very high	14 Å²	14	10.3 Å²	10.3	14%	0.144	6%	0.062	C	C	.	.	H	α-helix	trans	-64	-28.9	-177.4	0	0	0	0	0	113.9	V150	G146-V150 WeakPolarHBondContact O-CB 3.45Å; G146-V150 VanDerWaalsContact O-CG2 3.28Å; G146-V150 WeakPolarHBondContact O-CG2 3.48Å; G146-V150 PolarHBondContact O-N 3.03Å
147	S	98.5	Very high	97.5	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-72.8	-43.7	179.7	-59	0	0	0	0	111.3	D145 T151 I274 R275 G276	D145-S147 VanDerWaalsContact C-N 3.26Å; D145-S147 PolarHBondContact O-N 3.02Å; D145-S147 WeakPolarHBondContact OD1-CA 3.44Å; D145-S147 VanDerWaalsContact OD1-CB 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.47Å; D145-S147 PolarHBondContact OD1-N 3.15Å; S147-T151 WeakPolarHBondContact O-CB 3.48Å; S147-T151 PolarHBondContact O-N 3.4Å; S147-T151 PolarHBondContact O-OG1 3.46Å; S147-I274 WeakPolarHBondContact OG-CA 3.46Å; S147-I274 PolarHBondContact OG-O 3.45Å; S147-R275 PolarHBondContact OG-N 3.04Å; S147-G276 WeakPolarHBondContact OG-CA 3.22Å; S147-G276 PolarHBondContact OG-N 3.45Å
148	I	98.7	Very high	97.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.1	-47.2	174.4	-65.6	174.7	0	0	0	110.2	F88 V92 I97 I103 T107 L111 I142 D145 V150 T151 L152	F88-I148 HydrophobicContact CE1-CD1 4.15Å; F88-I148 HydrophobicContact CE1-CG2 4.19Å; F88-I148 HydrophobicContact CZ-CD1 4.45Å; F88-I148 HydrophobicContact CZ-CG2 3.8Å; V92-I148 HydrophobicContact CG1-CD1 3.64Å; V92-I148 HydrophobicContact CG2-CD1 4.05Å; I97-I148 HydrophobicContact CD1-CD1 3.9Å; I97-I148 HydrophobicContact CD1-CG1 4.21Å; I103-I148 HydrophobicContact CD1-CG1 4Å; I103-I148 HydrophobicContact CG1-CG1 4.38Å; I103-I148 HydrophobicContact CG2-CG1 4.44Å; T107-I148 HydrophobicContact CG2-CD1 3.83Å; L111-I148 HydrophobicContact CD1-CD1 4.48Å; L111-I148 HydrophobicContact CD1-CG1 4.36Å; L111-I148 HydrophobicContact CD1-CG2 3.57Å; L111-I148 HydrophobicContact CD2-CG2 3.96Å; L111-I148 HydrophobicContact CG-CG2 4.43Å; I142-I148 HydrophobicContact CG2-CG2 4.32Å; D145-I148 HydrophobicContact CB-CB 4.13Å; D145-I148 HydrophobicContact CB-CD1 3.96Å; D145-I148 HydrophobicContact CB-CG1 4.13Å; D145-I148 PolarHBondContact O-N 3.35Å; D145-I148 PolarHBondContact OD1-N 3.12Å; I148-V150 PolarHBondContact O-N 2.85Å; I148-T151 PolarHBondContact O-N 3.38Å; I148-L152 HydrophobicContact CG2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CG 4.3Å; I148-L152 PolarHBondContact O-N 2.81Å
149	A	98.2	Very high	97.5	Very high	15 Å²	15	8.4 Å²	8.4	12%	0.124	6%	0.057	C	C	.	.	H	α-helix	trans	-56.8	-47.5	179.6	0	0	0	0	0	112.4	I142 D145 L152 A153	I142-A149 HydrophobicContact CG2-CB 3.91Å; D145-A149 WeakPolarHBondContact O-CB 3.39Å; D145-A149 PolarHBondContact O-N 3.12Å; A149-L152 PolarHBondContact O-N 2.91Å; A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 2.89Å
150	V	98	Very high	97.5	Very high	15 Å²	15	8.1 Å²	8.1	9%	0.091	6%	0.055	C	C	.	.	H	α-helix	trans	-67.4	-38.1	178	173.9	0	0	0	0	111.9	G146 I148 A153 A154 I274 S277 F434	G146-V150 WeakPolarHBondContact O-CB 3.45Å; G146-V150 VanDerWaalsContact O-CG2 3.28Å; G146-V150 WeakPolarHBondContact O-CG2 3.48Å; G146-V150 PolarHBondContact O-N 3.03Å; I148-V150 PolarHBondContact O-N 2.85Å; V150-A153 PolarHBondContact O-N 3.31Å; V150-A154 WeakPolarHBondContact O-CB 3.35Å; V150-A154 PolarHBondContact O-N 3.41Å; V150-I274 HydrophobicContact CB-CD1 4.46Å; V150-I274 HydrophobicContact CG1-CD1 4.26Å; V150-I274 HydrophobicContact CG2-CD1 4.03Å; V150-I274 HydrophobicContact CG2-CG2 4.27Å; V150-S277 WeakPolarHBondContact CG1-OG 3.46Å; V150-F434 HydrophobicContact CG2-CE2 3.97Å; V150-F434 HydrophobicContact CG2-CZ 4.4Å
151	T	98.6	Very high	97.4	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.012	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-47.2	177.4	-63.1	0	0	0	0	111.4	I103 S147 I148 H155 N226 F229	I103-T151 HydrophobicContact CD1-CG2 4.17Å; I103-T151 VanDerWaalsContact CD1-OG1 3.25Å; I103-T151 WeakPolarHBondContact CD1-OG1 3.5Å; S147-T151 WeakPolarHBondContact O-CB 3.48Å; S147-T151 PolarHBondContact O-N 3.4Å; S147-T151 PolarHBondContact O-OG1 3.46Å; I148-T151 PolarHBondContact O-N 3.38Å; T151-H155 PolarHBondContact O-N 3.35Å; T151-H155 VanDerWaalsContact O-N 3.15Å; T151-N226 PolarHBondContact O-ND2 3.47Å; T151-F229 HydrophobicContact CG2-CZ 4.23Å
152	L	98.4	Very high	97.3	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-69.9	-41.7	178.8	-70	178.7	0	0	0	112	L111 L116 F117 I142 I148 A149 H155 Q156	L111-L152 HydrophobicContact CD2-CD1 4.42Å; L116-L152 HydrophobicContact CB-CD1 4.04Å; L116-L152 HydrophobicContact CB-CD2 4.43Å; F117-L152 HydrophobicContact CD1-CD2 4.04Å; F117-L152 HydrophobicContact CD2-CD2 3.9Å; F117-L152 HydrophobicContact CE1-CD2 3.84Å; F117-L152 HydrophobicContact CE2-CD2 3.74Å; F117-L152 HydrophobicContact CG-CD2 4.06Å; F117-L152 HydrophobicContact CZ-CD2 3.7Å; I142-L152 HydrophobicContact CD1-CD1 4.21Å; I142-L152 HydrophobicContact CG1-CD1 4.48Å; I142-L152 HydrophobicContact CG2-CD1 3.88Å; I148-L152 HydrophobicContact CG2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CG 4.3Å; I148-L152 PolarHBondContact O-N 2.81Å; A149-L152 PolarHBondContact O-N 2.91Å; L152-H155 PolarHBondContact O-N 3.45Å; L152-Q156 VanDerWaalsContact O-CG 3.3Å; L152-Q156 WeakPolarHBondContact O-CG 3.33Å; L152-Q156 PolarHBondContact O-N 3.47Å; L152-Q156 PolarHBondContact O-NE2 3.24Å
153	A	97	Very high	97.3	Very high	30 Å²	30	7.8 Å²	7.8	25%	0.248	5%	0.053	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.4	0	0	0	0	0	111.6	A149 V150 H155 Q156 A157 I158	A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 2.89Å; V150-A153 PolarHBondContact O-N 3.31Å; A153-H155 PolarHBondContact O-N 2.94Å; A153-Q156 PolarHBondContact O-N 3.37Å; A153-A157 HydrophobicContact CB-CB 4.27Å; A153-A157 WeakPolarHBondContact O-CA 3.06Å; A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 3.36Å; A153-A157 PolarHBondContact O-N 3.49Å; A153-I158 PolarHBondContact O-N 3.01Å
154	A	97.9	Very high	97.2	Very high	3 Å²	3	8.7 Å²	8.7	3%	0.025	6%	0.057	C	C	.	.	I	π-helix	trans	-58.7	-37.8	175.8	0	0	0	0	0	112	V150 I158 G159 S225	V150-A154 WeakPolarHBondContact O-CB 3.35Å; V150-A154 PolarHBondContact O-N 3.41Å; A154-I158 WeakPolarHBondContact O-CG1 3.28Å; A154-G159 WeakPolarHBondContact O-CA 3.47Å; A154-G159 PolarHBondContact O-N 2.87Å; A154-S225 VanDerWaalsContact CB-CB 3.43Å
155	H	98.6	Very high	97	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-68.7	-56.5	174	172.4	79.4	0	0	0	112.1	F117 T151 L152 A153 G159 L160 L179 H184 A186 N226	F117-H155 HydrophobicContact CD1-CB 4.31Å; F117-H155 AromaticContact CD1-CD2 3.51Å; F117-H155 AromaticContact CD1-CE1 4Å; F117-H155 AromaticContact CD1-CG 3.73Å; F117-H155 AromaticContact CD1-NE2 3.71Å; F117-H155 PolarHBondContact O-CD2 3.02Å; F117-H155 PolarHBondContact O-NE2 3.4Å; T151-H155 PolarHBondContact O-N 3.35Å; T151-H155 VanDerWaalsContact O-N 3.15Å; L152-H155 PolarHBondContact O-N 3.45Å; A153-H155 PolarHBondContact O-N 2.94Å; H155-G159 CarbonylContact O-C 3.54Å; H155-G159 WeakPolarHBondContact O-CA 3.29Å; H155-G159 PolarHBondContact O-N 3.4Å; H155-L160 WeakPolarHBondContact NE2-CD2 3.35Å; H155-L160 WeakPolarHBondContact O-CD2 3.42Å; H155-L160 WeakPolarHBondContact O-CG 3.42Å; H155-L160 PolarHBondContact O-N 3.17Å; H155-L179 PolarHBondContact CE1-O 3.23Å; H155-L179 PolarHBondContact NE2-O 2.87Å; H155-L179 VanDerWaalsContact NE2-O 3.1Å; H155-H184 PolarHBondContact CE1-O 3.09Å; H155-A186 WeakPolarHBondContact ND1-CB 3.31Å; H155-A186 PolarHBondContact ND1-N 3.4Å; H155-N226 PolarHBondContact N-ND2 3.46Å
156	Q	94.6	Very high	96.9	Very high	5 Å²	5	12.7 Å²	12.7	2%	0.023	8%	0.081	C	C	.	.	I	π-helix	trans	-101.2	-38	-164.6	78.8	-165.8	-79	0	0	115.7	L116 Y135 L152 A153 L160	L116-Q156 PolarHBondContact O-NE2 3.1Å; Y135-Q156 HydrophobicContact CE2-CG 4.19Å; L152-Q156 VanDerWaalsContact O-CG 3.3Å; L152-Q156 WeakPolarHBondContact O-CG 3.33Å; L152-Q156 PolarHBondContact O-N 3.47Å; L152-Q156 PolarHBondContact O-NE2 3.24Å; A153-Q156 PolarHBondContact O-N 3.37Å; Q156-L160 HydrophobicContact CB-CD2 4.01Å; Q156-L160 HydrophobicContact CB-CG 4.49Å
157	A	93.3	Very high	96.9	Very high	5 Å²	5	12.5 Å²	12.5	4%	0.041	8%	0.079	C	C	.	.	I	π-helix	trans	-74.7	-32	-176.6	0	0	0	0	0	111.1	A153 K161	A153-A157 HydrophobicContact CB-CB 4.27Å; A153-A157 WeakPolarHBondContact O-CA 3.06Å; A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 3.36Å; A153-A157 PolarHBondContact O-N 3.49Å; A157-K161 VanDerWaalsContact O-CB 3.22Å; A157-K161 WeakPolarHBondContact O-CB 2.99Å; A157-K161 WeakPolarHBondContact O-CG 3.24Å
158	I	96.4	Very high	96.9	Very high	17 Å²	17	16 Å²	16	9%	0.087	10%	0.098	C	C	.	.	I	π-helix	trans	-126.2	-45.2	-178.5	60.1	176.9	0	0	0	114.2	A153 A154 K161 F188 I308 L309	A153-I158 PolarHBondContact O-N 3.01Å; A154-I158 WeakPolarHBondContact O-CG1 3.28Å; I158-K161 PolarHBondContact O-N 3.08Å; I158-F188 HydrophobicContact CB-CB 3.91Å; I158-F188 HydrophobicContact CB-CD2 3.98Å; I158-F188 HydrophobicContact CB-CG 3.91Å; I158-F188 HydrophobicContact CD1-CB 3.7Å; I158-F188 HydrophobicContact CD1-CD1 4.17Å; I158-F188 HydrophobicContact CD1-CG 4.08Å; I158-F188 HydrophobicContact CG1-CB 3.64Å; I158-F188 HydrophobicContact CG1-CG 4.14Å; I158-F188 WeakPolarHBondContact O-CD2 3.26Å; I158-I308 HydrophobicContact CB-CG2 3.91Å; I158-I308 HydrophobicContact CG2-CG2 3.88Å; I158-L309 HydrophobicContact CG2-CD2 4.36Å
159	G	97.5	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-62.9	-51.7	-169.8	0	0	0	0	0	114.1	A154 H155 T234	A154-G159 WeakPolarHBondContact O-CA 3.47Å; A154-G159 PolarHBondContact O-N 2.87Å; H155-G159 CarbonylContact O-C 3.54Å; H155-G159 WeakPolarHBondContact O-CA 3.29Å; H155-G159 PolarHBondContact O-N 3.4Å; G159-T234 WeakPolarHBondContact O-CB 3.2Å; G159-T234 PolarHBondContact O-OG1 2.88Å
160	L	97	Very high	96.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.3	176.6	68.4	91	0	0	0	113.8	I121 H155 Q156 G162 I163 L164 L176 L179 A186	I121-L160 HydrophobicContact CD1-CD1 4.05Å; I121-L160 HydrophobicContact CD1-CD2 3.89Å; I121-L160 HydrophobicContact CG1-CD1 4Å; H155-L160 WeakPolarHBondContact NE2-CD2 3.35Å; H155-L160 WeakPolarHBondContact O-CD2 3.42Å; H155-L160 WeakPolarHBondContact O-CG 3.42Å; H155-L160 PolarHBondContact O-N 3.17Å; Q156-L160 HydrophobicContact CB-CD2 4.01Å; Q156-L160 HydrophobicContact CB-CG 4.49Å; L160-G162 PolarHBondContact O-N 3.42Å; L160-G162 VanDerWaalsContact O-N 3.17Å; L160-I163 WeakPolarHBondContact O-CB 3.31Å; L160-I163 PolarHBondContact O-N 3.38Å; L160-L164 HydrophobicContact CD1-CD1 3.29Å; L160-L164 HydrophobicContact CD1-CG 3.62Å; L160-L164 PolarHBondContact O-N 3.37Å; L160-L176 HydrophobicContact CD1-CD2 4.31Å; L160-L179 HydrophobicContact CB-CD1 3.81Å; L160-L179 HydrophobicContact CD2-CB 4.19Å; L160-A186 HydrophobicContact CB-CB 4.27Å
161	K	96.4	Very high	96.9	Very high	14 Å²	14	22.9 Å²	22.9	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-34.4	-169.9	-179.6	64.5	68.1	168.7	0	112.6	A157 I158 I163 L164 I165 I308 S311	A157-K161 VanDerWaalsContact O-CB 3.22Å; A157-K161 WeakPolarHBondContact O-CB 2.99Å; A157-K161 WeakPolarHBondContact O-CG 3.24Å; I158-K161 PolarHBondContact O-N 3.08Å; K161-I163 VanDerWaalsContact C-N 3.28Å; K161-I163 PolarHBondContact O-N 2.98Å; K161-L164 WeakPolarHBondContact O-CB 3.39Å; K161-L164 PolarHBondContact O-N 3.19Å; K161-L164 VanDerWaalsContact O-N 3.13Å; K161-I165 HydrophobicContact CD-CG2 3.69Å; K161-I165 HydrophobicContact CG-CD1 4.39Å; K161-I165 HydrophobicContact CG-CG2 4.27Å; K161-I165 WeakPolarHBondContact O-CG1 3.48Å; K161-I165 PolarHBondContact O-N 3.08Å; K161-I308 HydrophobicContact CB-CG1 4.22Å; K161-I308 HydrophobicContact CB-CG2 4.01Å; K161-I308 HydrophobicContact CG-CB 4.33Å; K161-I308 HydrophobicContact CG-CG1 4.05Å; K161-I308 HydrophobicContact CG-CG2 4.11Å; K161-S311 WeakPolarHBondContact CD-OG 3.37Å; K161-S311 WeakPolarHBondContact CG-OG 3.25Å
162	G	96.3	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-41.2	174.3	0	0	0	0	0	113	L160 A166 G167 I295	L160-G162 PolarHBondContact O-N 3.42Å; L160-G162 VanDerWaalsContact O-N 3.17Å; G162-A166 CarbonylContact O-C 3.59Å; G162-A166 WeakPolarHBondContact O-CA 3.43Å; G162-A166 PolarHBondContact O-N 3.16Å; G162-G167 PolarHBondContact O-N 3.45Å; G162-I295 WeakPolarHBondContact O-CG2 3.49Å
163	I	98.1	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.6	-52.8	176.9	0	0	0	110.1	L160 K161 G167 K172 Y175 L176 L179 I232 I255	L160-I163 WeakPolarHBondContact O-CB 3.31Å; L160-I163 PolarHBondContact O-N 3.38Å; K161-I163 VanDerWaalsContact C-N 3.28Å; K161-I163 PolarHBondContact O-N 2.98Å; I163-G167 VanDerWaalsContact O-CA 3.22Å; I163-G167 WeakPolarHBondContact O-CA 3.48Å; I163-G167 PolarHBondContact O-N 3.01Å; I163-K172 HydrophobicContact CG2-CG 4.32Å; I163-Y175 HydrophobicContact CD1-CD2 4.35Å; I163-Y175 HydrophobicContact CD1-CG 4.29Å; I163-L176 HydrophobicContact CB-CD2 4.33Å; I163-L176 HydrophobicContact CG2-CD2 4Å; I163-L176 HydrophobicContact CG2-CG 4.17Å; I163-L179 HydrophobicContact CD1-CD1 4.08Å; I163-I232 HydrophobicContact CD1-CG2 4.45Å; I163-I255 HydrophobicContact CD1-CD1 3.89Å; I163-I255 HydrophobicContact CD1-CG1 4.13Å; I163-I255 HydrophobicContact CD1-CG2 4.23Å; I163-I255 HydrophobicContact CG1-CD1 3.76Å; I163-I255 HydrophobicContact CG1-CG1 3.98Å
164	L	95	Very high	97	Very high	30 Å²	30	35.3 Å²	35.3	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-46.7	178.6	-76.6	176.5	0	0	0	112.8	I121 L160 K161 L176	I121-L164 HydrophobicContact CG1-CD1 4.26Å; I121-L164 HydrophobicContact CG1-CD2 4.3Å; L160-L164 HydrophobicContact CD1-CD1 3.29Å; L160-L164 HydrophobicContact CD1-CG 3.62Å; L160-L164 PolarHBondContact O-N 3.37Å; K161-L164 WeakPolarHBondContact O-CB 3.39Å; K161-L164 PolarHBondContact O-N 3.19Å; K161-L164 VanDerWaalsContact O-N 3.13Å; L164-L176 HydrophobicContact CD2-CD1 3.64Å; L164-L176 HydrophobicContact CD2-CD2 3.81Å; L164-L176 HydrophobicContact CD2-CG 4.4Å; L164-L176 HydrophobicContact CG-CD2 4.04Å
165	I	93.1	Very high	97	Very high	80 Å²	80	35.4 Å²	35.4	41%	0.41	19%	0.187	S	C	.	.	H	α-helix	trans	-95	-22.6	-169.3	72.4	180	0	0	0	114.2	K161 N307 I308	K161-I165 HydrophobicContact CD-CG2 3.69Å; K161-I165 HydrophobicContact CG-CD1 4.39Å; K161-I165 HydrophobicContact CG-CG2 4.27Å; K161-I165 WeakPolarHBondContact O-CG1 3.48Å; K161-I165 PolarHBondContact O-N 3.08Å; I165-N307 HydrophobicContact CD1-CB 3.81Å; I165-I308 HydrophobicContact CD1-CG1 3.89Å
166	A	96.2	Very high	97	Very high	31 Å²	31	35.4 Å²	35.4	26%	0.256	19%	0.187	S	C	.	.	H	α-helix	trans	-136.2	-1.2	-174.2	0	0	0	0	0	113.5	G162 I295 G296 V304	G162-A166 CarbonylContact O-C 3.59Å; G162-A166 WeakPolarHBondContact O-CA 3.43Å; G162-A166 PolarHBondContact O-N 3.16Å; A166-I295 HydrophobicContact CB-CG2 3.75Å; A166-G296 PolarHBondContact O-N 2.94Å; A166-V304 HydrophobicContact CB-CG1 4.48Å; A166-V304 HydrophobicContact CB-CG2 4.23Å
167	G	97.2	Very high	97.2	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	20%	0.203	C	C	.	.			trans	-73.9	147.9	174.8	0	0	0	0	0	112.3	G162 I163 K172	G162-G167 PolarHBondContact O-N 3.45Å; I163-G167 VanDerWaalsContact O-CA 3.22Å; I163-G167 WeakPolarHBondContact O-CA 3.48Å; I163-G167 PolarHBondContact O-N 3.01Å; G167-K172 WeakPolarHBondContact O-CE 3.39Å
168	N	97.8	Very high	97.5	Very high	76 Å²	76	41.4 Å²	41.4	41%	0.406	22%	0.218	S	C	.	.			trans	-77.8	168	169.7	69.6	48.6	0	0	0	111.2	A170 Q171 K172	N168-A170 VanDerWaalsContact C-N 3.28Å; N168-A170 PolarHBondContact O-N 3.4Å; N168-A170 WeakPolarHBondContact OD1-CB 3.28Å; N168-A170 PolarHBondContact OD1-N 2.8Å; N168-Q171 WeakPolarHBondContact O-CB 3.1Å; N168-Q171 PolarHBondContact O-N 3.16Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.19Å; N168-Q171 PolarHBondContact OD1-N 3.13Å; N168-K172 WeakPolarHBondContact O-CG 3.35Å; N168-K172 PolarHBondContact O-N 2.89Å
169	E	98.1	Very high	97.6	Very high	96 Å²	96	40.6 Å²	40.6	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-32.5	-176.3	-66.4	-58.3	114.6	0	0	113.7	Y125 K172 K173	Y125-E169 PolarHBondContact OH-OE2 3.43Å; E169-K172 IonicContact OE1-NZ 3.18Å; E169-K172 PolarHBondContact OE1-NZ 3.41Å; E169-K173 WeakPolarHBondContact O-CB 3.47Å; E169-K173 VanDerWaalsContact O-CG 3.3Å; E169-K173 WeakPolarHBondContact O-CG 3.28Å; E169-K173 PolarHBondContact O-N 2.93Å
170	A	98.4	Very high	97.6	Very high	72 Å²	72	40.8 Å²	40.8	60%	0.595	22%	0.215	S	C	*	.	H	α-helix	trans	-68	-43.3	176.7	0	0	0	0	0	111.2	N168 K174	N168-A170 VanDerWaalsContact C-N 3.28Å; N168-A170 PolarHBondContact O-N 3.4Å; N168-A170 WeakPolarHBondContact OD1-CB 3.28Å; N168-A170 PolarHBondContact OD1-N 2.8Å; A170-K174 VanDerWaalsContact O-CB 3.28Å; A170-K174 WeakPolarHBondContact O-CB 3.15Å; A170-K174 PolarHBondContact O-N 2.95Å
171	Q	98.7	Very high	97.7	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-47.1	174.3	-68.6	167.7	-20.2	0	0	111	N168 K173 K174 Y175 I255 E292 V294	N168-Q171 WeakPolarHBondContact O-CB 3.1Å; N168-Q171 PolarHBondContact O-N 3.16Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.19Å; N168-Q171 PolarHBondContact OD1-N 3.13Å; Q171-K173 PolarHBondContact O-N 3.39Å; Q171-K174 PolarHBondContact O-N 3.17Å; Q171-Y175 HydrophobicContact CB-CD2 4.27Å; Q171-Y175 HydrophobicContact CB-CE2 4.42Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.4Å; Q171-Y175 PolarHBondContact O-N 3.1Å; Q171-I255 HydrophobicContact CB-CD1 3.93Å; Q171-I255 HydrophobicContact CG-CD1 3.86Å; Q171-E292 PolarHBondContact NE2-O 2.65Å; Q171-V294 PolarHBondContact NE2-O 3.1Å
172	K	98.7	Very high	97.8	Very high	40 Å²	40	42.8 Å²	42.8	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-50.7	178.7	-70.4	-179.4	-167.1	160.4	0	111.8	Y125 I163 G167 N168 E169 K174 Y175 L176	Y125-K172 HydrophobicContact CD1-CB 4.49Å; Y125-K172 HydrophobicContact CE1-CB 3.82Å; Y125-K172 HydrophobicContact CE2-CB 4.15Å; Y125-K172 HydrophobicContact CE2-CD 4.13Å; I163-K172 HydrophobicContact CG2-CG 4.32Å; G167-K172 WeakPolarHBondContact O-CE 3.39Å; N168-K172 WeakPolarHBondContact O-CG 3.35Å; N168-K172 PolarHBondContact O-N 2.89Å; E169-K172 IonicContact OE1-NZ 3.18Å; E169-K172 PolarHBondContact OE1-NZ 3.41Å; K172-K174 VanDerWaalsContact C-N 3.3Å; K172-K174 PolarHBondContact O-N 3.36Å; K172-Y175 PolarHBondContact O-N 3.37Å; K172-L176 HydrophobicContact CB-CD1 3.71Å; K172-L176 HydrophobicContact CB-CG 4.34Å; K172-L176 HydrophobicContact CD-CD1 4.44Å; K172-L176 HydrophobicContact CG-CD1 3.85Å; K172-L176 VanDerWaalsContact O-CB 3.26Å; K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 WeakPolarHBondContact O-CG 3.39Å; K172-L176 PolarHBondContact O-N 3.47Å
173	K	98.4	Very high	97.8	Very high	142 Å²	142	48 Å²	48	62%	0.617	26%	0.255	S	S	*	.	H	α-helix	trans	-60.6	-37	177.6	-73.6	178.5	-177.7	-178.6	0	112.9	Y125 E169 Q171 P177	Y125-K173 HydrophobicContact CE1-CB 4.43Å; Y125-K173 HydrophobicContact CE1-CG 3.71Å; E169-K173 WeakPolarHBondContact O-CB 3.47Å; E169-K173 VanDerWaalsContact O-CG 3.3Å; E169-K173 WeakPolarHBondContact O-CG 3.28Å; E169-K173 PolarHBondContact O-N 2.93Å; Q171-K173 PolarHBondContact O-N 3.39Å; K173-P177 WeakPolarHBondContact O-CD 3.13Å
174	K	98.6	Very high	97.9	Very high	112 Å²	112	50 Å²	50	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-71.4	-46.9	-179.5	-176.6	178.1	172.6	-162.6	0	112.3	A170 Q171 K172 E257	A170-K174 VanDerWaalsContact O-CB 3.28Å; A170-K174 WeakPolarHBondContact O-CB 3.15Å; A170-K174 PolarHBondContact O-N 2.95Å; Q171-K174 PolarHBondContact O-N 3.17Å; K172-K174 VanDerWaalsContact C-N 3.3Å; K172-K174 PolarHBondContact O-N 3.36Å; K174-E257 WeakPolarHBondContact CE-OE1 3.4Å; K174-E257 IonicContact NZ-OE1 2.94Å; K174-E257 PolarHBondContact NZ-OE1 3.02Å
175	Y	98.8	Very high	98	Very high	6 Å²	6	48.9 Å²	48.9	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-101.9	-40.1	-166.3	-61	-69.2	0	0	0	114.3	I163 Q171 K172 K178 L179 I232 I255 E257 N293	I163-Y175 HydrophobicContact CD1-CD2 4.35Å; I163-Y175 HydrophobicContact CD1-CG 4.29Å; Q171-Y175 HydrophobicContact CB-CD2 4.27Å; Q171-Y175 HydrophobicContact CB-CE2 4.42Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.4Å; Q171-Y175 PolarHBondContact O-N 3.1Å; K172-Y175 PolarHBondContact O-N 3.37Å; Y175-K178 PolarHBondContact O-N 3.14Å; Y175-L179 WeakPolarHBondContact O-CD1 3.35Å; Y175-L179 VanDerWaalsContact O-CG 3.31Å; Y175-L179 WeakPolarHBondContact O-CG 3.41Å; Y175-L179 PolarHBondContact O-N 3.23Å; Y175-I232 HydrophobicContact CD1-CD1 3.89Å; Y175-I232 HydrophobicContact CE1-CD1 4.09Å; Y175-I255 HydrophobicContact CD1-CG2 4.27Å; Y175-I255 HydrophobicContact CD2-CD1 3.63Å; Y175-I255 HydrophobicContact CD2-CG2 4.12Å; Y175-I255 HydrophobicContact CE1-CG2 3.97Å; Y175-I255 HydrophobicContact CE2-CB 4.34Å; Y175-I255 HydrophobicContact CE2-CD1 3.51Å; Y175-I255 HydrophobicContact CE2-CG2 3.83Å; Y175-I255 HydrophobicContact CG-CG2 4.36Å; Y175-E257 HydrophobicContact CE1-CG 3.99Å; Y175-E257 WeakPolarHBondContact CE1-OE1 3.3Å; Y175-E257 PolarHBondContact OH-OE1 2.89Å; Y175-E257 VanDerWaalsContact OH-OE1 3.06Å; Y175-N293 VanDerWaalsContact OH-CG 3.31Å; Y175-N293 PolarHBondContact OH-ND2 3.48Å; Y175-N293 PolarHBondContact OH-OD1 3.09Å
176	L	98.6	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-37.8	-170.1	-65.1	178.3	0	0	0	114.4	I121 Y125 L160 I163 L164 K172 K178 L179 A180	I121-L176 HydrophobicContact CD1-CD2 4.3Å; I121-L176 HydrophobicContact CG1-CD2 4.5Å; I121-L176 HydrophobicContact CG2-CB 4.08Å; I121-L176 HydrophobicContact CG2-CD1 4.47Å; Y125-L176 HydrophobicContact CD1-CB 4.39Å; Y125-L176 HydrophobicContact CD1-CD1 4.33Å; Y125-L176 HydrophobicContact CD2-CD1 3.64Å; Y125-L176 HydrophobicContact CE2-CD1 4.16Å; Y125-L176 HydrophobicContact CG-CB 4.03Å; Y125-L176 HydrophobicContact CG-CD1 3.76Å; L160-L176 HydrophobicContact CD1-CD2 4.31Å; I163-L176 HydrophobicContact CB-CD2 4.33Å; I163-L176 HydrophobicContact CG2-CD2 4Å; I163-L176 HydrophobicContact CG2-CG 4.17Å; L164-L176 HydrophobicContact CD2-CD1 3.64Å; L164-L176 HydrophobicContact CD2-CD2 3.81Å; L164-L176 HydrophobicContact CD2-CG 4.4Å; L164-L176 HydrophobicContact CG-CD2 4.04Å; K172-L176 HydrophobicContact CB-CD1 3.71Å; K172-L176 HydrophobicContact CB-CG 4.34Å; K172-L176 HydrophobicContact CD-CD1 4.44Å; K172-L176 HydrophobicContact CG-CD1 3.85Å; K172-L176 VanDerWaalsContact O-CB 3.26Å; K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 WeakPolarHBondContact O-CG 3.39Å; K172-L176 PolarHBondContact O-N 3.47Å; L176-K178 PolarHBondContact O-N 3.23Å; L176-L179 HydrophobicContact CD2-CD1 4.5Å; L176-L179 PolarHBondContact O-N 3.47Å; L176-A180 WeakPolarHBondContact O-CB 3.49Å; L176-A180 PolarHBondContact O-N 2.96Å
177	P	98.6	Very high	98.4	Very high	55 Å²	55	43.6 Å²	43.6	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-58.4	-44.4	179.2	-27.7	36.8	0	0	0	114.7	Y125 K173 A180 S181	Y125-P177 WeakPolarHBondContact O-CA 3.17Å; K173-P177 WeakPolarHBondContact O-CD 3.13Å; P177-A180 PolarHBondContact O-N 3.05Å; P177-S181 PolarHBondContact O-N 3.24Å
178	K	98.7	Very high	98.5	Very high	80 Å²	80	44.1 Å²	44.1	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-75.2	-27.9	178.9	-67.7	-168.7	172.5	-147.3	0	113	Y175 L176 S181 G182 E183 H184	Y175-K178 PolarHBondContact O-N 3.14Å; L176-K178 PolarHBondContact O-N 3.23Å; K178-S181 PolarHBondContact O-OG 3.23Å; K178-G182 PolarHBondContact O-N 3.38Å; K178-E183 HydrophobicContact CB-CB 4.38Å; K178-E183 WeakPolarHBondContact CD-OE1 3.39Å; K178-E183 VanDerWaalsContact CE-OE1 3.27Å; K178-E183 WeakPolarHBondContact CE-OE1 3.47Å; K178-E183 IonicContact NZ-OE1 3.71Å; K178-E183 PolarHBondContact NZ-OE1 3.3Å; K178-E183 PolarHBondContact O-N 3.36Å; K178-E183 VanDerWaalsContact O-N 3.08Å; K178-H184 HydrophobicContact CB-CB 4.12Å; K178-H184 PolarHBondContact O-N 3.2Å
179	L	98.8	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.1	-42.4	173.1	-68.9	167.9	0	0	0	110.4	I121 H155 L160 I163 Y175 L176 S181 G182 H184 A186 I232	I121-L179 HydrophobicContact CD1-CB 4.28Å; H155-L179 PolarHBondContact CE1-O 3.23Å; H155-L179 PolarHBondContact NE2-O 2.87Å; H155-L179 VanDerWaalsContact NE2-O 3.1Å; L160-L179 HydrophobicContact CB-CD1 3.81Å; L160-L179 HydrophobicContact CD2-CB 4.19Å; I163-L179 HydrophobicContact CD1-CD1 4.08Å; Y175-L179 WeakPolarHBondContact O-CD1 3.35Å; Y175-L179 VanDerWaalsContact O-CG 3.31Å; Y175-L179 WeakPolarHBondContact O-CG 3.41Å; Y175-L179 PolarHBondContact O-N 3.23Å; L176-L179 HydrophobicContact CD2-CD1 4.5Å; L176-L179 PolarHBondContact O-N 3.47Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 2.99Å; L179-G182 PolarHBondContact O-N 3.12Å; L179-H184 HydrophobicContact CD2-CB 4.12Å; L179-A186 HydrophobicContact CD2-CB 3.83Å; L179-I232 HydrophobicContact CD2-CB 4.23Å; L179-I232 HydrophobicContact CD2-CG1 4.14Å
180	A	98.6	Very high	98.5	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-40.2	179.6	0	0	0	0	0	113.3	G118 I121 G126 L176 P177 G182	G118-A180 PolarHBondContact N-O 3.36Å; I121-A180 HydrophobicContact CB-CB 4.36Å; I121-A180 HydrophobicContact CD1-CB 3.8Å; I121-A180 HydrophobicContact CG2-CB 4.15Å; G126-A180 WeakPolarHBondContact O-CB 3.5Å; L176-A180 WeakPolarHBondContact O-CB 3.49Å; L176-A180 PolarHBondContact O-N 2.96Å; P177-A180 PolarHBondContact O-N 3.05Å; A180-G182 VanDerWaalsContact C-N 3.25Å; A180-G182 PolarHBondContact O-N 3.29Å
181	S	98.3	Very high	98.5	Very high	57 Å²	57	35 Å²	35	40%	0.399	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.2	175.5	66.2	0	0	0	0	113.7	P177 K178 L179 E183	P177-S181 PolarHBondContact O-N 3.24Å; K178-S181 PolarHBondContact O-OG 3.23Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 2.99Å; S181-E183 PolarHBondContact O-N 3.05Å; S181-E183 WeakPolarHBondContact OG-CB 3.41Å; S181-E183 PolarHBondContact OG-N 3.3Å
182	G	98.1	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	16.3	-168.4	0	0	0	0	0	113.8	K112 K178 L179 A180 H184	K112-G182 WeakPolarHBondContact CE-O 3.08Å; K112-G182 PolarHBondContact NZ-O 3.24Å; K178-G182 PolarHBondContact O-N 3.38Å; L179-G182 PolarHBondContact O-N 3.12Å; A180-G182 VanDerWaalsContact C-N 3.25Å; A180-G182 PolarHBondContact O-N 3.29Å; G182-H184 VanDerWaalsContact C-N 3.27Å
183	E	98.1	Very high	98.2	Very high	108 Å²	108	38 Å²	38	51%	0.505	20%	0.196	S	C	.	.	S	Bend	trans	-59	-45.6	166.9	-179.3	-172.1	147.1	0	0	109.5	K178 S181	K178-E183 HydrophobicContact CB-CB 4.38Å; K178-E183 WeakPolarHBondContact CD-OE1 3.39Å; K178-E183 VanDerWaalsContact CE-OE1 3.27Å; K178-E183 WeakPolarHBondContact CE-OE1 3.47Å; K178-E183 IonicContact NZ-OE1 3.71Å; K178-E183 PolarHBondContact NZ-OE1 3.3Å; K178-E183 PolarHBondContact O-N 3.36Å; K178-E183 VanDerWaalsContact O-N 3.08Å; S181-E183 PolarHBondContact O-N 3.05Å; S181-E183 WeakPolarHBondContact OG-CB 3.41Å; S181-E183 PolarHBondContact OG-N 3.3Å
184	H	98.6	Very high	98	Very high	42 Å²	42	34.7 Å²	34.7	19%	0.194	20%	0.202	C	C	.	.	S	Bend	trans	-103.4	135.7	169.4	-73.3	-174.4	0	0	0	110.5	H155 K178 L179 G182 D231 I232	H155-H184 PolarHBondContact CE1-O 3.09Å; K178-H184 HydrophobicContact CB-CB 4.12Å; K178-H184 PolarHBondContact O-N 3.2Å; L179-H184 HydrophobicContact CD2-CB 4.12Å; G182-H184 VanDerWaalsContact C-N 3.27Å; H184-D231 VanDerWaalsContact CA-OD2 3.32Å; H184-D231 WeakPolarHBondContact CA-OD2 3.34Å; H184-D231 HydrophobicContact CB-CB 4.01Å; H184-I232 HydrophobicContact CB-CG1 4.15Å
185	I	98.6	Very high	97.8	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.041	18%	0.18	C	C	.	.			trans	-98.1	148.4	172.3	-55.5	-53.8	0	0	0	110.3	F117 N226 F229 D231 I232	F117-I185 HydrophobicContact CD1-CD1 3.71Å; F117-I185 HydrophobicContact CE1-CD1 3.36Å; F117-I185 HydrophobicContact CZ-CD1 4.05Å; I185-N226 HydrophobicContact CG2-CB 4.03Å; I185-F229 HydrophobicContact CB-CD2 4.12Å; I185-F229 HydrophobicContact CB-CE2 4.12Å; I185-F229 HydrophobicContact CG1-CD2 3.99Å; I185-F229 HydrophobicContact CG1-CE2 3.91Å; I185-F229 HydrophobicContact CG2-CD2 4.01Å; I185-F229 HydrophobicContact CG2-CE2 3.61Å; I185-F229 HydrophobicContact CG2-CZ 4.37Å; I185-D231 PolarHBondContact N-OD2 3.39Å; I185-D231 PolarHBondContact O-N 3.48Å; I185-I232 PolarHBondContact O-N 3.25Å
186	A	98.8	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147	-178.4	0	0	0	0	0	111.3	H155 L160 L179 N226 I232	H155-A186 WeakPolarHBondContact ND1-CB 3.31Å; H155-A186 PolarHBondContact ND1-N 3.4Å; L160-A186 HydrophobicContact CB-CB 4.27Å; L179-A186 HydrophobicContact CD2-CB 3.83Å; A186-N226 PolarHBondContact O-ND2 2.91Å; A186-N226 VanDerWaalsContact O-ND2 3.07Å; A186-I232 CarbonylContact C-O 3.36Å; A186-I232 WeakPolarHBondContact CA-O 3.43Å
187	A	98.8	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.5	169.7	0	0	0	0	0	111.2	I224 S225 N226 A230 I232 M233 T234	A187-I224 HydrophobicContact CB-CG2 3.82Å; A187-S225 WeakPolarHBondContact CB-O 3.43Å; A187-N226 HydrophobicContact CB-CB 4.33Å; A187-A230 HydrophobicContact CB-CB 3.58Å; A187-I232 PolarHBondContact N-O 2.81Å; A187-M233 HydrophobicContact CB-CG 4.34Å; A187-M233 WeakPolarHBondContact O-CA 3.44Å; A187-T234 PolarHBondContact O-N 3.14Å
188	F	98.6	Very high	97.2	Very high	21 Å²	21	36.4 Å²	36.4	9%	0.092	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.2	177.2	178.7	-95.1	0	0	0	109.7	I158 L190 F236 I308	I158-F188 HydrophobicContact CB-CB 3.91Å; I158-F188 HydrophobicContact CB-CD2 3.98Å; I158-F188 HydrophobicContact CB-CG 3.91Å; I158-F188 HydrophobicContact CD1-CB 3.7Å; I158-F188 HydrophobicContact CD1-CD1 4.17Å; I158-F188 HydrophobicContact CD1-CG 4.08Å; I158-F188 HydrophobicContact CG1-CB 3.64Å; I158-F188 HydrophobicContact CG1-CG 4.14Å; I158-F188 WeakPolarHBondContact O-CD2 3.26Å; F188-L190 HydrophobicContact CD1-CB 4.05Å; F188-L190 HydrophobicContact CE1-CB 3.38Å; F188-L190 HydrophobicContact CE1-CD2 3.75Å; F188-L190 HydrophobicContact CE1-CG 4.22Å; F188-L190 HydrophobicContact CZ-CB 3.93Å; F188-L190 HydrophobicContact CZ-CD2 3.87Å; F188-F236 AromaticContact CD2-CE2 3.8Å; F188-F236 HydrophobicContact CD2-CE2 3.8Å; F188-F236 HydrophobicContact CD2-CZ 4.35Å; F188-F236 HydrophobicContact CE1-CE2 4.28Å; F188-F236 HydrophobicContact CE2-CD2 4.36Å; F188-F236 AromaticContact CE2-CE2 3.2Å; F188-F236 HydrophobicContact CE2-CE2 3.2Å; F188-F236 AromaticContact CE2-CZ 3.5Å; F188-F236 HydrophobicContact CE2-CZ 3.5Å; F188-F236 HydrophobicContact CZ-CD2 4.33Å; F188-F236 AromaticContact CZ-CE2 3.47Å; F188-F236 HydrophobicContact CZ-CE2 3.47Å; F188-F236 VanDerWaalsContact CZ-CE2 3.47Å; F188-F236 AromaticContact CZ-CZ 3.93Å; F188-F236 HydrophobicContact CZ-CZ 3.93Å; F188-I308 HydrophobicContact CD2-CG2 4.27Å; F188-I308 HydrophobicContact CE2-CB 4.38Å; F188-I308 HydrophobicContact CE2-CD1 3.96Å; F188-I308 HydrophobicContact CE2-CG2 3.86Å
189	C	98.6	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	79.3	-166.2	-70.1	0	0	0	0	111.1	K221 T234 V235 F236	C189-K221 HydrophobicContact CB-CB 4.43Å; C189-K221 HydrophobicContact CB-CG 4.07Å; C189-K221 WeakPolarHBondContact O-CE 3.47Å; C189-T234 WeakPolarHBondContact CB-O 3.46Å; C189-T234 PolarHBondContact N-O 2.92Å; C189-V235 HydrophobicContact CB-CB 4.29Å; C189-V235 HydrophobicContact CB-CG1 4.47Å; C189-V235 HydrophobicContact CB-CG2 3.83Å; C189-F236 PolarHBondContact O-N 3.35Å; C189-F236 VanDerWaalsContact O-N 3.13Å
190	L	98.2	Very high	96.7	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.058	24%	0.235	C	C	.	.			trans	-111.7	-58.5	-178.9	179.4	60.7	0	0	0	112.8	F188 A199 I202 K221 F236 A305	F188-L190 HydrophobicContact CD1-CB 4.05Å; F188-L190 HydrophobicContact CE1-CB 3.38Å; F188-L190 HydrophobicContact CE1-CD2 3.75Å; F188-L190 HydrophobicContact CE1-CG 4.22Å; F188-L190 HydrophobicContact CZ-CB 3.93Å; F188-L190 HydrophobicContact CZ-CD2 3.87Å; L190-A199 HydrophobicContact CD1-CB 4.29Å; L190-A199 HydrophobicContact CD2-CB 4Å; L190-A199 HydrophobicContact CG-CB 4.36Å; L190-I202 HydrophobicContact CD1-CG2 4.36Å; L190-K221 PolarHBondContact O-NZ 3.28Å; L190-F236 HydrophobicContact CB-CD2 3.87Å; L190-F236 HydrophobicContact CB-CE2 4.36Å; L190-F236 HydrophobicContact CD1-CB 3.75Å; L190-F236 HydrophobicContact CD1-CD2 3.82Å; L190-F236 HydrophobicContact CD1-CG 3.77Å; L190-F236 HydrophobicContact CG-CD2 4.4Å; L190-A305 HydrophobicContact CD2-CB 4.41Å
191	T	98	Very high	96.6	Very high	41 Å²	41	36.3 Å²	36.3	25%	0.252	24%	0.242	S	C	.	.			trans	-61.6	143.3	-171.6	-59.8	0	0	0	0	112.9	S195 K221 F222 W223	T191-S195 WeakPolarHBondContact CA-O 3.4Å; T191-K221 CarbonylContact O-C 3.6Å; T191-K221 VanDerWaalsContact O-CA 3.27Å; T191-K221 WeakPolarHBondContact O-CA 3.44Å; T191-K221 WeakPolarHBondContact O-CD 3.5Å; T191-F222 PolarHBondContact O-N 2.75Å; T191-W223 HydrophobicContact CG2-CE3 4.39Å
192	E	98.3	Very high	96.5	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.065	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-132.6	162.9	176.5	-60.7	-173.1	-178.3	0	0	110	G194 S195 I202 Q203 T204 S220 K221	E192-G194 PolarHBondContact O-N 3.26Å; E192-G194 VanDerWaalsContact O-N 3.12Å; E192-S195 PolarHBondContact N-O 3.09Å; E192-S195 CarbonylContact O-C 3.56Å; E192-S195 PolarHBondContact O-N 3.28Å; E192-I202 HydrophobicContact CG-CB 4.43Å; E192-I202 HydrophobicContact CG-CG2 4.24Å; E192-I202 WeakPolarHBondContact OE1-CB 3.42Å; E192-Q203 VanDerWaalsContact CD-N 3.34Å; E192-Q203 PolarHBondContact OE1-N 2.77Å; E192-Q203 WeakPolarHBondContact OE2-CA 3.46Å; E192-Q203 PolarHBondContact OE2-N 3.06Å; E192-T204 WeakPolarHBondContact OE1-CB 3.34Å; E192-T204 PolarHBondContact OE1-N 2.96Å; E192-T204 PolarHBondContact OE1-OG1 3.41Å; E192-S220 WeakPolarHBondContact CG-O 3.36Å; E192-K221 HydrophobicContact CG-CD 3.85Å; E192-K221 IonicContact OE1-NZ 3.7Å; E192-K221 PolarHBondContact OE1-NZ 3.23Å
193	P	92.6	Very high	96.5	Very high	97 Å²	97	39.8 Å²	39.8	63%	0.63	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.5	179.6	-27.6	36.5	0	0	0	114	F222	P193-F222 HydrophobicContact CG-CB 4.28Å; P193-F222 HydrophobicContact CG-CD2 4.22Å; P193-F222 HydrophobicContact CG-CG 4.26Å
194	G	93.4	Very high	96.6	Very high	72 Å²	72	34.7 Å²	34.7	74%	0.742	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.2	176.8	0	0	0	0	0	115.3	E192	E192-G194 PolarHBondContact O-N 3.26Å; E192-G194 VanDerWaalsContact O-N 3.12Å
195	S	94.6	Very high	96.5	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.028	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-142	94.4	-168.9	-57.4	0	0	0	0	111.6	T191 E192 S201 I202	T191-S195 WeakPolarHBondContact CA-O 3.4Å; E192-S195 PolarHBondContact N-O 3.09Å; E192-S195 CarbonylContact O-C 3.56Å; E192-S195 PolarHBondContact O-N 3.28Å; S195-S201 PolarHBondContact OG-O 3.03Å; S195-S201 PolarHBondContact OG-OG 2.83Å; S195-I202 PolarHBondContact OG-N 3.48Å
196	G	94.6	Very high	96.5	Very high	45 Å²	45	36.4 Å²	36.4	46%	0.464	24%	0.239	S	C	.	.	S	Bend	trans	-101.7	-91.7	170	0	0	0	0	0	111.3	D198	G196-D198 VanDerWaalsContact C-N 3.31Å; G196-D198 PolarHBondContact O-N 3.15Å
197	S	93.3	Very high	96.5	Very high	69 Å²	69	40.5 Å²	40.5	48%	0.483	26%	0.264	S	S	.	.	S	Bend	trans	-60.4	-38	178.6	-62.5	0	0	0	0	113.5	A199	S197-A199 VanDerWaalsContact C-N 3.3Å; S197-A199 PolarHBondContact O-N 2.88Å; S197-A199 VanDerWaalsContact O-N 3.12Å
198	D	95.1	Very high	96.5	Very high	91 Å²	91	44.7 Å²	44.7	49%	0.487	29%	0.286	S	S	.	.			trans	-84.8	73.3	173.3	-179	20.8	0	0	0	110.5	G196 A200 S201	G196-D198 VanDerWaalsContact C-N 3.31Å; G196-D198 PolarHBondContact O-N 3.15Å; D198-A200 PolarHBondContact O-N 3.47Å; D198-A200 VanDerWaalsContact O-N 3.12Å; D198-A200 PolarHBondContact OD1-N 3.31Å; D198-S201 VanDerWaalsContact CG-OG 3.26Å; D198-S201 PolarHBondContact O-N 3.38Å; D198-S201 VanDerWaalsContact O-N 3.15Å; D198-S201 PolarHBondContact O-OG 3.3Å; D198-S201 WeakPolarHBondContact OD2-CB 3.34Å; D198-S201 PolarHBondContact OD2-OG 2.87Å
199	A	92.3	Very high	96.4	Very high	8 Å²	8	44.8 Å²	44.8	7%	0.066	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63.3	-15.9	179	0	0	0	0	0	113.3	L190 S197 S201 I202 I251 F302	L190-A199 HydrophobicContact CD1-CB 4.29Å; L190-A199 HydrophobicContact CD2-CB 4Å; L190-A199 HydrophobicContact CG-CB 4.36Å; S197-A199 VanDerWaalsContact C-N 3.3Å; S197-A199 PolarHBondContact O-N 2.88Å; S197-A199 VanDerWaalsContact O-N 3.12Å; A199-S201 VanDerWaalsContact C-N 3.28Å; A199-I202 WeakPolarHBondContact O-CG2 3.07Å; A199-I251 WeakPolarHBondContact O-CD1 3.46Å; A199-F302 HydrophobicContact CB-CE2 4.24Å
200	A	94.6	Very high	96.2	Very high	46 Å²	46	54.9 Å²	54.9	38%	0.38	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-76	-15.9	177.8	0	0	0	0	0	112.7	D198 R238 F302	D198-A200 PolarHBondContact O-N 3.47Å; D198-A200 VanDerWaalsContact O-N 3.12Å; D198-A200 PolarHBondContact OD1-N 3.31Å; A200-R238 PolarHBondContact O-NH2 2.92Å; A200-F302 HydrophobicContact CB-CD2 4.37Å; A200-F302 HydrophobicContact CB-CE2 3.97Å
201	S	96.4	Very high	96.1	Very high	29 Å²	29	58.7 Å²	58.7	20%	0.203	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-94.8	6.9	-178.2	60.8	0	0	0	0	115.5	S195 D198 A199 Q203	S195-S201 PolarHBondContact OG-O 3.03Å; S195-S201 PolarHBondContact OG-OG 2.83Å; D198-S201 VanDerWaalsContact CG-OG 3.26Å; D198-S201 PolarHBondContact O-N 3.38Å; D198-S201 VanDerWaalsContact O-N 3.15Å; D198-S201 PolarHBondContact O-OG 3.3Å; D198-S201 WeakPolarHBondContact OD2-CB 3.34Å; D198-S201 PolarHBondContact OD2-OG 2.87Å; A199-S201 VanDerWaalsContact C-N 3.28Å; S201-Q203 PolarHBondContact O-NE2 3.46Å
202	I	98.1	Very high	96	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	36%	0.361	C	S	.	.			trans	-50.5	150.3	176.6	62.6	168	0	0	0	112.2	L190 E192 S195 A199 F236 R238 I251	L190-I202 HydrophobicContact CD1-CG2 4.36Å; E192-I202 HydrophobicContact CG-CB 4.43Å; E192-I202 HydrophobicContact CG-CG2 4.24Å; E192-I202 WeakPolarHBondContact OE1-CB 3.42Å; S195-I202 PolarHBondContact OG-N 3.48Å; A199-I202 WeakPolarHBondContact O-CG2 3.07Å; I202-F236 HydrophobicContact CD1-CB 3.96Å; I202-F236 WeakPolarHBondContact CD1-O 3.42Å; I202-R238 PolarHBondContact O-NE 3.23Å; I202-R238 PolarHBondContact O-NH2 3.02Å; I202-I251 HydrophobicContact CD1-CD1 3.77Å; I202-I251 HydrophobicContact CD1-CG1 3.87Å; I202-I251 HydrophobicContact CD1-CG2 3.92Å; I202-I251 HydrophobicContact CG1-CD1 3.71Å; I202-I251 HydrophobicContact CG1-CG1 4Å
203	Q	97.9	Very high	96	Very high	129 Å²	129	63.7 Å²	63.7	60%	0.603	38%	0.384	S	S	*	.			trans	-118.3	-12.3	-173.2	-61	-61	-52.3	0	0	113.3	E192 S201 L205	E192-Q203 VanDerWaalsContact CD-N 3.34Å; E192-Q203 PolarHBondContact OE1-N 2.77Å; E192-Q203 WeakPolarHBondContact OE2-CA 3.46Å; E192-Q203 PolarHBondContact OE2-N 3.06Å; S201-Q203 PolarHBondContact O-NE2 3.46Å; Q203-L205 PolarHBondContact O-N 3Å
204	T	98.6	Very high	96.2	Very high	2 Å²	2	62 Å²	62	1%	0.012	37%	0.368	C	S	.	.			trans	-54	129.5	171.7	-61.3	0	0	0	0	109.5	E192 I217 N218 K221 A237 R238	E192-T204 WeakPolarHBondContact OE1-CB 3.34Å; E192-T204 PolarHBondContact OE1-N 2.96Å; E192-T204 PolarHBondContact OE1-OG1 3.41Å; T204-I217 HydrophobicContact CG2-CG2 3.71Å; T204-N218 WeakPolarHBondContact CA-O 3.37Å; T204-N218 WeakPolarHBondContact CG2-O 3.42Å; T204-K221 VanDerWaalsContact OG1-CE 3.31Å; T204-K221 WeakPolarHBondContact OG1-CE 3.39Å; T204-K221 PolarHBondContact OG1-NZ 3.46Å; T204-A237 HydrophobicContact CG2-CB 3.77Å; T204-A237 CarbonylContact O-C 3.59Å; T204-A237 WeakPolarHBondContact O-CA 3.26Å; T204-R238 PolarHBondContact O-N 3.32Å
205	L	98.3	Very high	96.5	Very high	82 Å²	82	59.8 Å²	59.8	43%	0.429	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.6	-175	-74.8	155.4	0	0	0	110.7	Q203 I217 N218 R238	Q203-L205 PolarHBondContact O-N 3Å; L205-I217 CarbonylContact O-C 3.5Å; L205-I217 VanDerWaalsContact O-CA 3.28Å; L205-I217 WeakPolarHBondContact O-CA 3.27Å; L205-N218 PolarHBondContact N-O 2.99Å; L205-N218 PolarHBondContact O-N 3.48Å; L205-R238 CarbonylContact C-O 3.55Å; L205-R238 HydrophobicContact CD2-CB 4.07Å
206	A	98.6	Very high	96.7	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.3	172.1	0	0	0	0	0	108.4	Y215 L216 I217 A237 R238 T239 F254	A206-Y215 HydrophobicContact CB-CD1 4.16Å; A206-L216 WeakPolarHBondContact CA-O 3.49Å; A206-I217 HydrophobicContact CB-CG1 3.98Å; A206-A237 HydrophobicContact CB-CB 3.77Å; A206-R238 PolarHBondContact N-O 3.43Å; A206-T239 HydrophobicContact CB-CG2 3.73Å; A206-F254 HydrophobicContact CB-CE2 3.75Å; A206-F254 HydrophobicContact CB-CZ 3.68Å
207	T	97.9	Very high	96.8	Very high	86 Å²	86	60.2 Å²	60.2	53%	0.528	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.1	-177.6	-57.8	0	0	0	0	109.7	S209 Y215 L216	T207-S209 PolarHBondContact O-N 3.35Å; T207-Y215 CarbonylContact O-C 3.58Å; T207-Y215 WeakPolarHBondContact O-CA 3.29Å; T207-L216 PolarHBondContact N-O 3.29Å; T207-L216 VanDerWaalsContact N-O 3.07Å; T207-L216 PolarHBondContact O-N 2.84Å
208	L	97.6	Very high	97.1	Very high	87 Å²	87	59.3 Å²	59.3	46%	0.455	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	131.6	175.6	-169.9	70.7	0	0	0	109.8	Y215 V291	L208-Y215 HydrophobicContact CB-CD1 4.3Å; L208-Y215 HydrophobicContact CB-CE1 4.06Å; L208-Y215 HydrophobicContact CD1-CD1 4.33Å; L208-Y215 HydrophobicContact CD1-CD2 4.25Å; L208-Y215 HydrophobicContact CD1-CE1 4.01Å; L208-Y215 HydrophobicContact CD1-CE2 3.94Å; L208-Y215 HydrophobicContact CD1-CG 4.45Å; L208-V291 HydrophobicContact CD1-CG1 3.77Å
209	S	96.4	Very high	97.2	Very high	23 Å²	23	56.6 Å²	56.6	16%	0.161	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.8	155.6	175.8	57.5	0	0	0	0	111.2	T207 D211 G212 K213 H214	T207-S209 PolarHBondContact O-N 3.35Å; S209-D211 WeakPolarHBondContact CB-OD1 3.47Å; S209-D211 PolarHBondContact O-N 2.92Å; S209-D211 PolarHBondContact OG-OD1 3.44Å; S209-G212 WeakPolarHBondContact O-CA 3.31Å; S209-G212 PolarHBondContact O-N 2.63Å; S209-K213 PolarHBondContact OG-N 2.79Å; S209-H214 WeakPolarHBondContact CB-O 3.28Å; S209-H214 PolarHBondContact N-O 3.34Å; S209-H214 PolarHBondContact OG-N 3.14Å; S209-H214 PolarHBondContact OG-O 2.74Å
210	E	95.4	Very high	97.5	Very high	212 Å²	212	57.8 Å²	57.8	99%	0.991	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.5	-179.6	-64.6	-176.4	169.7	0	0	112.8	G212	E210-G212 VanDerWaalsContact C-N 3.26Å; E210-G212 PolarHBondContact O-N 3.03Å
211	D	95.5	Very high	97.7	Very high	91 Å²	91	55.6 Å²	55.6	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.1	176.9	73.1	-9.5	0	0	0	114	S209 K213	S209-D211 WeakPolarHBondContact CB-OD1 3.47Å; S209-D211 PolarHBondContact O-N 2.92Å; S209-D211 PolarHBondContact OG-OD1 3.44Å; D211-K213 HydrophobicContact CB-CG 4.46Å; D211-K213 PolarHBondContact O-N 3.09Å; D211-K213 PolarHBondContact OD1-N 3.13Å; D211-K213 WeakPolarHBondContact OD2-CD 3.47Å
212	G	96.4	Very high	97.6	Very high	33 Å²	33	56.4 Å²	56.4	34%	0.34	30%	0.302	S	S	.	.	S	Bend	trans	69.5	10.9	179	0	0	0	0	0	115.2	S209 E210 V291	S209-G212 WeakPolarHBondContact O-CA 3.31Å; S209-G212 PolarHBondContact O-N 2.63Å; E210-G212 VanDerWaalsContact C-N 3.26Å; E210-G212 PolarHBondContact O-N 3.03Å; G212-V291 WeakPolarHBondContact O-CG1 3.32Å
213	K	97.6	Very high	97.6	Very high	127 Å²	127	64 Å²	64	55%	0.552	33%	0.33	S	S	*	.	S	Bend	trans	-95.1	-24.7	-174	-63.1	-176.5	-170.7	166.5	0	114.3	S209 D211 V291	S209-K213 PolarHBondContact OG-N 2.79Å; D211-K213 HydrophobicContact CB-CG 4.46Å; D211-K213 PolarHBondContact O-N 3.09Å; D211-K213 PolarHBondContact OD1-N 3.13Å; D211-K213 WeakPolarHBondContact OD2-CD 3.47Å; K213-V291 PolarHBondContact O-N 2.97Å
214	H	97.9	Very high	97.7	Very high	63 Å²	63	58 Å²	58	29%	0.292	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.1	-176	-53.6	86.7	0	0	0	111.1	S209 P288 V289	S209-H214 WeakPolarHBondContact CB-O 3.28Å; S209-H214 PolarHBondContact N-O 3.34Å; S209-H214 PolarHBondContact OG-N 3.14Å; S209-H214 PolarHBondContact OG-O 2.74Å; H214-P288 HydrophobicContact CB-CB 4.49Å; H214-V289 CarbonylContact C-O 3.5Å; H214-V289 VanDerWaalsContact CA-O 3.24Å; H214-V289 WeakPolarHBondContact CA-O 3.19Å
215	Y	98.6	Very high	97.6	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.098	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.4	158.5	-72.3	-89.6	0	0	0	108.8	A206 T207 L208 T239 F254 V289 V291 V294	A206-Y215 HydrophobicContact CB-CD1 4.16Å; T207-Y215 CarbonylContact O-C 3.58Å; T207-Y215 WeakPolarHBondContact O-CA 3.29Å; L208-Y215 HydrophobicContact CB-CD1 4.3Å; L208-Y215 HydrophobicContact CB-CE1 4.06Å; L208-Y215 HydrophobicContact CD1-CD1 4.33Å; L208-Y215 HydrophobicContact CD1-CD2 4.25Å; L208-Y215 HydrophobicContact CD1-CE1 4.01Å; L208-Y215 HydrophobicContact CD1-CE2 3.94Å; L208-Y215 HydrophobicContact CD1-CG 4.45Å; Y215-T239 HydrophobicContact CD1-CG2 4.12Å; Y215-T239 HydrophobicContact CE1-CG2 3.84Å; Y215-F254 HydrophobicContact CD1-CE1 4.35Å; Y215-F254 HydrophobicContact CD1-CZ 4.22Å; Y215-F254 AromaticContact CD2-CE1 3.59Å; Y215-F254 HydrophobicContact CD2-CE1 3.59Å; Y215-F254 HydrophobicContact CD2-CZ 4.25Å; Y215-F254 HydrophobicContact CE2-CE1 4.08Å; Y215-F254 AromaticContact CG-CE1 3.73Å; Y215-F254 HydrophobicContact CG-CE1 3.73Å; Y215-F254 HydrophobicContact CG-CZ 4.03Å; Y215-V289 PolarHBondContact N-O 3.38Å; Y215-V289 PolarHBondContact O-N 3.2Å; Y215-V291 HydrophobicContact CD2-CG1 4.06Å; Y215-V291 HydrophobicContact CE2-CB 4.42Å; Y215-V291 HydrophobicContact CE2-CG1 3.81Å; Y215-V294 HydrophobicContact CD2-CG2 4.35Å; Y215-V294 HydrophobicContact CE2-CG2 3.88Å
216	L	98.6	Very high	97.7	Very high	57 Å²	57	55.3 Å²	55.3	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.1	170.6	-59.5	178.8	0	0	0	108.6	A206 T207 V287 P288	A206-L216 WeakPolarHBondContact CA-O 3.49Å; T207-L216 PolarHBondContact N-O 3.29Å; T207-L216 VanDerWaalsContact N-O 3.07Å; T207-L216 PolarHBondContact O-N 2.84Å; L216-V287 WeakPolarHBondContact CA-O 3.47Å; L216-P288 HydrophobicContact CD2-CB 4.19Å
217	I	98.8	Very high	97.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.3	179.6	-56.6	-168.8	0	0	0	110.5	T204 L205 A206 V235 A237 F254 V256 F284 N286 V287 V289	T204-I217 HydrophobicContact CG2-CG2 3.71Å; L205-I217 CarbonylContact O-C 3.5Å; L205-I217 VanDerWaalsContact O-CA 3.28Å; L205-I217 WeakPolarHBondContact O-CA 3.27Å; A206-I217 HydrophobicContact CB-CG1 3.98Å; I217-V235 HydrophobicContact CD1-CG1 4.42Å; I217-V235 HydrophobicContact CG2-CG1 4.47Å; I217-A237 HydrophobicContact CG2-CB 4.43Å; I217-F254 HydrophobicContact CD1-CB 4.22Å; I217-F254 HydrophobicContact CD1-CD1 4.48Å; I217-F254 HydrophobicContact CD1-CD2 3.92Å; I217-F254 HydrophobicContact CD1-CE2 4.38Å; I217-F254 HydrophobicContact CD1-CG 3.96Å; I217-V256 HydrophobicContact CD1-CG2 4Å; I217-F284 HydrophobicContact CG2-CB 4.02Å; I217-F284 HydrophobicContact CG2-CD1 4.5Å; I217-F284 HydrophobicContact CG2-CG 4.22Å; I217-N286 PolarHBondContact O-N 3.39Å; I217-V287 HydrophobicContact CB-CB 4.33Å; I217-V287 PolarHBondContact N-O 3.32Å; I217-V287 PolarHBondContact O-N 3.5Å; I217-V289 HydrophobicContact CD1-CB 4.35Å; I217-V289 HydrophobicContact CD1-CG2 3.64Å; I217-V289 HydrophobicContact CG1-CG2 3.88Å
218	N	98.7	Very high	97.4	Very high	50 Å²	50	51.7 Å²	51.7	27%	0.267	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.2	176.2	-77.4	-79.6	0	0	0	111.8	T204 L205 F284 N286	T204-N218 WeakPolarHBondContact CA-O 3.37Å; T204-N218 WeakPolarHBondContact CG2-O 3.42Å; L205-N218 PolarHBondContact N-O 2.99Å; L205-N218 PolarHBondContact O-N 3.48Å; N218-F284 WeakPolarHBondContact CA-O 3.46Å; N218-N286 PolarHBondContact ND2-OD1 3.17Å; N218-N286 PolarHBondContact OD1-N 2.99Å; N218-N286 PolarHBondContact OD1-ND2 3.34Å; N218-N286 PolarHBondContact OD1-OD1 2.89Å
219	G	98.1	Very high	97.3	Very high	34 Å²	34	50.7 Å²	50.7	35%	0.351	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-167.3	175.5	0	0	0	0	0	112.6	F284	G219-F284 PolarHBondContact N-O 2.91Å; G219-F284 PolarHBondContact O-N 3.22Å
220	S	97.6	Very high	97.4	Very high	33 Å²	33	49.6 Å²	49.6	23%	0.231	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.5	172	68.3	0	0	0	0	111.7	E192 E281 V282	E192-S220 WeakPolarHBondContact CG-O 3.36Å; S220-E281 WeakPolarHBondContact CB-OE1 3.5Å; S220-E281 PolarHBondContact OG-OE1 3.3Å; S220-V282 CarbonylContact C-O 3.58Å; S220-V282 WeakPolarHBondContact CA-O 3.26Å
221	K	98.5	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.4	-179.9	-63.8	-64.4	-173.1	-171.5	0	108.7	C189 L190 T191 E192 T204 I224 F236 E281 V282 F284	C189-K221 HydrophobicContact CB-CB 4.43Å; C189-K221 HydrophobicContact CB-CG 4.07Å; C189-K221 WeakPolarHBondContact O-CE 3.47Å; L190-K221 PolarHBondContact O-NZ 3.28Å; T191-K221 CarbonylContact O-C 3.6Å; T191-K221 VanDerWaalsContact O-CA 3.27Å; T191-K221 WeakPolarHBondContact O-CA 3.44Å; T191-K221 WeakPolarHBondContact O-CD 3.5Å; E192-K221 HydrophobicContact CG-CD 3.85Å; E192-K221 IonicContact OE1-NZ 3.7Å; E192-K221 PolarHBondContact OE1-NZ 3.23Å; T204-K221 VanDerWaalsContact OG1-CE 3.31Å; T204-K221 WeakPolarHBondContact OG1-CE 3.39Å; T204-K221 PolarHBondContact OG1-NZ 3.46Å; K221-I224 HydrophobicContact CB-CD1 3.9Å; K221-I224 HydrophobicContact CB-CG1 3.73Å; K221-F236 WeakPolarHBondContact CE-O 3.47Å; K221-F236 PolarHBondContact NZ-O 3.4Å; K221-E281 CarbonylContact O-C 3.59Å; K221-E281 VanDerWaalsContact O-CA 3.26Å; K221-E281 WeakPolarHBondContact O-CA 3.49Å; K221-E281 WeakPolarHBondContact O-CG 3.28Å; K221-V282 PolarHBondContact N-O 2.91Å; K221-V282 PolarHBondContact O-N 2.95Å; K221-F284 HydrophobicContact CB-CE2 4.18Å; K221-F284 HydrophobicContact CG-CD2 4.34Å; K221-F284 HydrophobicContact CG-CE2 3.6Å; K221-F284 HydrophobicContact CG-CZ 4.49Å
222	F	95.1	Very high	97.7	Very high	47 Å²	47	37.8 Å²	37.8	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.1	-168.5	-147.6	-112.2	0	0	0	111.6	T191 P193 I224 E281	T191-F222 PolarHBondContact O-N 2.75Å; P193-F222 HydrophobicContact CG-CB 4.28Å; P193-F222 HydrophobicContact CG-CD2 4.22Å; P193-F222 HydrophobicContact CG-CG 4.26Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 WeakPolarHBondContact O-CD1 3.31Å; F222-I224 PolarHBondContact O-N 3.35Å; F222-E281 HydrophobicContact CD2-CB 4Å; F222-E281 HydrophobicContact CD2-CG 4.01Å; F222-E281 HydrophobicContact CE2-CB 4.15Å; F222-E281 HydrophobicContact CE2-CG 4.42Å
223	W	97.9	Very high	97.8	Very high	158 Å²	158	36.3 Å²	36.3	60%	0.598	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53	44.4	-177.2	-56.8	-37.6	0	0	0	114.9	T191 S225 T279 C280	T191-W223 HydrophobicContact CG2-CE3 4.39Å; W223-S225 PolarHBondContact O-N 3.19Å; W223-T279 VanDerWaalsContact C-CG2 3.5Å; W223-T279 HydrophobicContact CB-CG2 3.88Å; W223-C280 PolarHBondContact N-O 3.13Å
224	I	98.6	Very high	97.9	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.1	-178.6	-56.1	-47	0	0	0	110.2	A187 K221 F222 G227 T279 C280 V282	A187-I224 HydrophobicContact CB-CG2 3.82Å; K221-I224 HydrophobicContact CB-CD1 3.9Å; K221-I224 HydrophobicContact CB-CG1 3.73Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 WeakPolarHBondContact O-CD1 3.31Å; F222-I224 PolarHBondContact O-N 3.35Å; I224-G227 PolarHBondContact O-N 3.31Å; I224-G227 VanDerWaalsContact O-N 3.1Å; I224-T279 WeakPolarHBondContact O-CA 3.45Å; I224-C280 PolarHBondContact N-O 3.37Å; I224-C280 PolarHBondContact O-N 3Å; I224-V282 HydrophobicContact CB-CG2 3.94Å; I224-V282 HydrophobicContact CG1-CG2 4.12Å; I224-V282 HydrophobicContact CG2-CG2 4.13Å
225	S	98.5	Very high	97.9	Very high	27 Å²	27	27.2 Å²	27.2	19%	0.189	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	135.2	169	-63.4	0	0	0	0	110.6	A154 A187 W223 G227 Y278	A154-S225 VanDerWaalsContact CB-CB 3.43Å; A187-S225 WeakPolarHBondContact CB-O 3.43Å; W223-S225 PolarHBondContact O-N 3.19Å; S225-G227 PolarHBondContact O-N 3.32Å; S225-Y278 CarbonylContact C-O 3.56Å; S225-Y278 VanDerWaalsContact CA-O 3.27Å; S225-Y278 WeakPolarHBondContact CA-O 3.39Å
226	N	98.5	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	0.5	-172	-54.4	-20.3	0	0	0	115.4	T151 H155 I185 A186 A187 G228 F229 A230 Y278	T151-N226 PolarHBondContact O-ND2 3.47Å; H155-N226 PolarHBondContact N-ND2 3.46Å; I185-N226 HydrophobicContact CG2-CB 4.03Å; A186-N226 PolarHBondContact O-ND2 2.91Å; A186-N226 VanDerWaalsContact O-ND2 3.07Å; A187-N226 HydrophobicContact CB-CB 4.33Å; N226-G228 PolarHBondContact O-N 3.32Å; N226-F229 HydrophobicContact CB-CE1 4.12Å; N226-F229 HydrophobicContact CB-CE2 4.49Å; N226-F229 HydrophobicContact CB-CZ 3.99Å; N226-F229 PolarHBondContact O-N 3.41Å; N226-F229 WeakPolarHBondContact OD1-CZ 3.49Å; N226-A230 HydrophobicContact CB-CB 4.42Å; N226-A230 WeakPolarHBondContact O-CB 3.49Å; N226-A230 PolarHBondContact O-N 2.99Å; N226-Y278 PolarHBondContact N-O 3.29Å
227	G	97.2	Very high	97.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.8	-169	0	0	0	0	0	115.2	I224 S225 F229 C280	I224-G227 PolarHBondContact O-N 3.31Å; I224-G227 VanDerWaalsContact O-N 3.1Å; S225-G227 PolarHBondContact O-N 3.32Å; G227-F229 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 3.06Å; G227-C280 VanDerWaalsContact C-SG 3.54Å
228	G	94.1	Very high	97.9	Very high	13 Å²	13	25.4 Å²	25.4	13%	0.134	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.5	-179.9	0	0	0	0	0	115	N226 K258 Y278 C280	N226-G228 PolarHBondContact O-N 3.32Å; G228-K258 PolarHBondContact O-NZ 3.33Å; G228-Y278 VanDerWaalsContact CA-CE1 3.4Å; G228-C280 PolarHBondContact N-SG 3.26Å
229	F	95.6	Very high	97.9	Very high	66 Å²	66	23.1 Å²	23.1	29%	0.289	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	6.1	-173	70.5	-87.5	0	0	0	114.3	T151 I185 N226 G227 Y278	T151-F229 HydrophobicContact CG2-CZ 4.23Å; I185-F229 HydrophobicContact CB-CD2 4.12Å; I185-F229 HydrophobicContact CB-CE2 4.12Å; I185-F229 HydrophobicContact CG1-CD2 3.99Å; I185-F229 HydrophobicContact CG1-CE2 3.91Å; I185-F229 HydrophobicContact CG2-CD2 4.01Å; I185-F229 HydrophobicContact CG2-CE2 3.61Å; I185-F229 HydrophobicContact CG2-CZ 4.37Å; N226-F229 HydrophobicContact CB-CE1 4.12Å; N226-F229 HydrophobicContact CB-CE2 4.49Å; N226-F229 HydrophobicContact CB-CZ 3.99Å; N226-F229 PolarHBondContact O-N 3.41Å; N226-F229 WeakPolarHBondContact OD1-CZ 3.49Å; G227-F229 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 3.06Å; F229-Y278 HydrophobicContact CD1-CD2 4.19Å; F229-Y278 HydrophobicContact CD1-CG 4.02Å; F229-Y278 VanDerWaalsContact CE1-CB 3.48Å; F229-Y278 HydrophobicContact CE1-CG 4.15Å
230	A	98.3	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.			trans	-70.7	135	172.5	0	0	0	0	0	111.5	A187 N226 M233 K258	A187-A230 HydrophobicContact CB-CB 3.58Å; N226-A230 HydrophobicContact CB-CB 4.42Å; N226-A230 WeakPolarHBondContact O-CB 3.49Å; N226-A230 PolarHBondContact O-N 2.99Å; A230-M233 HydrophobicContact CB-CE 4.29Å; A230-M233 HydrophobicContact CB-CG 4.39Å; A230-K258 WeakPolarHBondContact O-CD 3.34Å
231	D	98.6	Very high	97.3	Very high	54 Å²	54	24.4 Å²	24.4	29%	0.289	13%	0.126	S	C	.	.	S	Bend	trans	-89.8	-31.7	174.4	-52.9	-76.1	0	0	0	111	H184 I185 E257 K258	H184-D231 VanDerWaalsContact CA-OD2 3.32Å; H184-D231 WeakPolarHBondContact CA-OD2 3.34Å; H184-D231 HydrophobicContact CB-CB 4.01Å; I185-D231 PolarHBondContact N-OD2 3.39Å; I185-D231 PolarHBondContact O-N 3.48Å; D231-E257 CarbonylContact O-C 3.56Å; D231-E257 WeakPolarHBondContact O-CA 3.4Å; D231-K258 PolarHBondContact O-N 2.82Å
232	I	98.8	Very high	96.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.3	-179	-53	-61.3	0	0	0	109.2	I163 Y175 L179 H184 I185 A186 A187 I255 E257	I163-I232 HydrophobicContact CD1-CG2 4.45Å; Y175-I232 HydrophobicContact CD1-CD1 3.89Å; Y175-I232 HydrophobicContact CE1-CD1 4.09Å; L179-I232 HydrophobicContact CD2-CB 4.23Å; L179-I232 HydrophobicContact CD2-CG1 4.14Å; H184-I232 HydrophobicContact CB-CG1 4.15Å; I185-I232 PolarHBondContact O-N 3.25Å; A186-I232 CarbonylContact C-O 3.36Å; A186-I232 WeakPolarHBondContact CA-O 3.43Å; A187-I232 PolarHBondContact N-O 2.81Å; I232-I255 HydrophobicContact CG2-CG2 3.74Å; I232-E257 HydrophobicContact CD1-CB 4.42Å; I232-E257 HydrophobicContact CD1-CG 3.83Å
233	M	98.8	Very high	96.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.5	-179.7	-57.9	-179.3	-174.6	0	0	109.8	A187 A230 V235 V256 I263 V282 F284	A187-M233 HydrophobicContact CB-CG 4.34Å; A187-M233 WeakPolarHBondContact O-CA 3.44Å; A230-M233 HydrophobicContact CB-CE 4.29Å; A230-M233 HydrophobicContact CB-CG 4.39Å; M233-V235 HydrophobicContact CB-CG2 3.79Å; M233-V235 PolarHBondContact O-N 3.43Å; M233-V256 HydrophobicContact CB-CB 4.38Å; M233-V256 PolarHBondContact N-O 2.9Å; M233-V256 PolarHBondContact O-N 2.88Å; M233-I263 HydrophobicContact CE-CG2 4.19Å; M233-I263 HydrophobicContact SD-CG2 4.47Å; M233-V282 HydrophobicContact CE-CG1 4.15Å; M233-V282 HydrophobicContact SD-CG1 3.9Å; M233-F284 HydrophobicContact SD-CE1 4.19Å; M233-F284 HydrophobicContact SD-CZ 4.1Å
234	T	98.8	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.6	164.7	-67.7	0	0	0	0	108	G159 A187 C189 F236 F254 I295	G159-T234 WeakPolarHBondContact O-CB 3.2Å; G159-T234 PolarHBondContact O-OG1 2.88Å; A187-T234 PolarHBondContact O-N 3.14Å; C189-T234 WeakPolarHBondContact CB-O 3.46Å; C189-T234 PolarHBondContact N-O 2.92Å; T234-F236 HydrophobicContact CG2-CE2 3.74Å; T234-F236 HydrophobicContact CG2-CZ 3.73Å; T234-F254 CarbonylContact C-O 3.09Å; T234-F254 WeakPolarHBondContact CA-O 3.33Å; T234-I295 HydrophobicContact CG2-CD1 3.91Å
235	V	98.9	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.7	-174.8	-177.1	0	0	0	0	110.6	C189 I217 M233 A253 F254 V256 F284	C189-V235 HydrophobicContact CB-CB 4.29Å; C189-V235 HydrophobicContact CB-CG1 4.47Å; C189-V235 HydrophobicContact CB-CG2 3.83Å; I217-V235 HydrophobicContact CD1-CG1 4.42Å; I217-V235 HydrophobicContact CG2-CG1 4.47Å; M233-V235 HydrophobicContact CB-CG2 3.79Å; M233-V235 PolarHBondContact O-N 3.43Å; V235-A253 CarbonylContact O-C 3.33Å; V235-A253 WeakPolarHBondContact O-CA 3.28Å; V235-F254 PolarHBondContact N-O 3.02Å; V235-F254 PolarHBondContact O-N 3Å; V235-V256 HydrophobicContact CB-CG2 3.69Å; V235-V256 HydrophobicContact CG2-CB 3.75Å; V235-V256 HydrophobicContact CG2-CG1 4.48Å; V235-V256 HydrophobicContact CG2-CG2 3.43Å; V235-V256 VanDerWaalsContact CG2-CG2 3.43Å; V235-F284 HydrophobicContact CG1-CE1 4.45Å; V235-F284 HydrophobicContact CG1-CE2 4.45Å; V235-F284 HydrophobicContact CG1-CZ 4.21Å; V235-F284 HydrophobicContact CG2-CE1 3.72Å; V235-F284 HydrophobicContact CG2-CZ 3.66Å
236	F	98.8	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.5	173.9	-60.1	-90	0	0	0	110.1	F188 C189 L190 I202 K221 T234 I251 T252 A253 G301 V304 A305 I308	F188-F236 AromaticContact CD2-CE2 3.8Å; F188-F236 HydrophobicContact CD2-CE2 3.8Å; F188-F236 HydrophobicContact CD2-CZ 4.35Å; F188-F236 HydrophobicContact CE1-CE2 4.28Å; F188-F236 HydrophobicContact CE2-CD2 4.36Å; F188-F236 AromaticContact CE2-CE2 3.2Å; F188-F236 HydrophobicContact CE2-CE2 3.2Å; F188-F236 AromaticContact CE2-CZ 3.5Å; F188-F236 HydrophobicContact CE2-CZ 3.5Å; F188-F236 HydrophobicContact CZ-CD2 4.33Å; F188-F236 AromaticContact CZ-CE2 3.47Å; F188-F236 HydrophobicContact CZ-CE2 3.47Å; F188-F236 VanDerWaalsContact CZ-CE2 3.47Å; F188-F236 AromaticContact CZ-CZ 3.93Å; F188-F236 HydrophobicContact CZ-CZ 3.93Å; C189-F236 PolarHBondContact O-N 3.35Å; C189-F236 VanDerWaalsContact O-N 3.13Å; L190-F236 HydrophobicContact CB-CD2 3.87Å; L190-F236 HydrophobicContact CB-CE2 4.36Å; L190-F236 HydrophobicContact CD1-CB 3.75Å; L190-F236 HydrophobicContact CD1-CD2 3.82Å; L190-F236 HydrophobicContact CD1-CG 3.77Å; L190-F236 HydrophobicContact CG-CD2 4.4Å; I202-F236 HydrophobicContact CD1-CB 3.96Å; I202-F236 WeakPolarHBondContact CD1-O 3.42Å; K221-F236 WeakPolarHBondContact CE-O 3.47Å; K221-F236 PolarHBondContact NZ-O 3.4Å; T234-F236 HydrophobicContact CG2-CE2 3.74Å; T234-F236 HydrophobicContact CG2-CZ 3.73Å; F236-I251 HydrophobicContact CB-CG2 3.95Å; F236-I251 HydrophobicContact CD1-CG2 4.12Å; F236-T252 WeakPolarHBondContact CA-O 3.44Å; F236-A253 HydrophobicContact CD1-CB 3.85Å; F236-A253 HydrophobicContact CE1-CB 3.58Å; F236-A253 HydrophobicContact CZ-CB 4.37Å; F236-G301 WeakPolarHBondContact CE1-O 3.47Å; F236-V304 HydrophobicContact CE1-CG1 4.47Å; F236-A305 HydrophobicContact CD1-CB 4.06Å; F236-A305 HydrophobicContact CE1-CB 3.54Å; F236-A305 HydrophobicContact CZ-CB 3.82Å; F236-I308 HydrophobicContact CZ-CD1 4.08Å
237	A	98.7	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.7	-178.6	0	0	0	0	0	111	T204 A206 I217 I251 T252 F254	T204-A237 HydrophobicContact CG2-CB 3.77Å; T204-A237 CarbonylContact O-C 3.59Å; T204-A237 WeakPolarHBondContact O-CA 3.26Å; A206-A237 HydrophobicContact CB-CB 3.77Å; I217-A237 HydrophobicContact CG2-CB 4.43Å; A237-I251 CarbonylContact O-C 3.53Å; A237-I251 WeakPolarHBondContact O-CA 3.42Å; A237-T252 PolarHBondContact N-O 2.8Å; A237-T252 PolarHBondContact O-N 3.37Å; A237-F254 HydrophobicContact CB-CD2 4.45Å; A237-F254 HydrophobicContact CB-CE2 4.12Å
238	R	98.3	Very high	93.5	Very high	44 Å²	44	48.2 Å²	48.2	17%	0.166	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.2	172.9	-71.8	-169.4	-176.3	-77.3	-15.3	110.6	A200 I202 T204 L205 A206 D249 K250	A200-R238 PolarHBondContact O-NH2 2.92Å; I202-R238 PolarHBondContact O-NE 3.23Å; I202-R238 PolarHBondContact O-NH2 3.02Å; T204-R238 PolarHBondContact O-N 3.32Å; L205-R238 CarbonylContact C-O 3.55Å; L205-R238 HydrophobicContact CD2-CB 4.07Å; A206-R238 PolarHBondContact N-O 3.43Å; R238-D249 HydrophobicContact CB-CB 4.48Å; R238-K250 CarbonylContact C-O 3.58Å; R238-K250 WeakPolarHBondContact CA-O 3.41Å
239	T	97.3	Very high	93.5	Very high	2 Å²	2	52 Å²	52	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.1	170.6	51.9	0	0	0	0	108.8	A206 Y215 V241 K250 T252 F254	A206-T239 HydrophobicContact CB-CG2 3.73Å; Y215-T239 HydrophobicContact CD1-CG2 4.12Å; Y215-T239 HydrophobicContact CE1-CG2 3.84Å; T239-V241 PolarHBondContact O-N 3.49Å; T239-K250 PolarHBondContact N-O 3.46Å; T239-K250 PolarHBondContact O-N 3.08Å; T239-K250 PolarHBondContact OG1-O 3.39Å; T239-T252 HydrophobicContact CG2-CG2 4.41Å; T239-T252 WeakPolarHBondContact CG2-OG1 3.44Å; T239-T252 PolarHBondContact OG1-OG1 2.99Å; T239-F254 HydrophobicContact CG2-CE2 4.15Å; T239-F254 HydrophobicContact CG2-CZ 3.69Å
240	A	94.1	Very high	93.5	Very high	67 Å²	67	52.9 Å²	52.9	55%	0.554	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.9	169.2	0	0	0	0	0	109.6
241	V	90.8	Very high	93.5	Very high	27 Å²	27	53.4 Å²	53.4	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136	178.6	-172.3	0	0	0	0	109.2	T239 V243 K248 K250 V298	T239-V241 PolarHBondContact O-N 3.49Å; V241-V243 HydrophobicContact CG1-CG2 4.37Å; V241-K248 PolarHBondContact N-O 3.29Å; V241-K248 PolarHBondContact O-N 3.27Å; V241-K250 HydrophobicContact CB-CD 4.42Å; V241-K250 HydrophobicContact CG2-CB 4.06Å; V241-K250 HydrophobicContact CG2-CD 4.49Å; V241-V298 HydrophobicContact CG2-CG1 3.94Å
242	E	87.6	Confident	93.5	Very high	140 Å²	140	50.8 Å²	50.8	65%	0.654	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.6	174.3	-162.5	171.4	159.3	0	0	110.2
243	V	82.8	Confident	93.5	Very high	33 Å²	33	50.7 Å²	50.7	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115.9	176.9	-178.7	0	0	0	0	107.7	V241 G245 V246 K248	V241-V243 HydrophobicContact CG1-CG2 4.37Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.35Å; V243-V246 PolarHBondContact N-O 2.84Å; V243-V246 PolarHBondContact O-N 3.47Å; V243-K248 HydrophobicContact CB-CD 4.29Å
244	D	84.2	Confident	93.5	Very high	153 Å²	153	50.7 Å²	50.7	82%	0.818	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	40.5	-178	-49.3	-45.6	0	0	0	112.9	V246	D244-V246 PolarHBondContact O-N 3.49Å
245	G	83.3	Confident	93.5	Very high	57 Å²	57	50.7 Å²	50.7	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	2.7	-177.6	0	0	0	0	0	115	V243	V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.35Å
246	V	87.8	Confident	93.5	Very high	81 Å²	81	50.7 Å²	50.7	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.1	180	-178.2	0	0	0	0	110.1	V243 D244 K248	V243-V246 PolarHBondContact N-O 2.84Å; V243-V246 PolarHBondContact O-N 3.47Å; D244-V246 PolarHBondContact O-N 3.49Å; V246-K248 HydrophobicContact CG1-CG 4.39Å; V246-K248 PolarHBondContact O-N 3.31Å
247	K	87.7	Confident	93.5	Very high	169 Å²	169	52.2 Å²	52.2	74%	0.735	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.5	171.7	-70.2	-172.7	178.7	-177.2	0	110.1
248	K	91.3	Very high	93.5	Very high	103 Å²	103	56.2 Å²	56.2	45%	0.448	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.4	175.9	-66.2	-176.7	-178.4	171.9	0	109.6	V241 V243 V246 K250	V241-K248 PolarHBondContact N-O 3.29Å; V241-K248 PolarHBondContact O-N 3.27Å; V243-K248 HydrophobicContact CB-CD 4.29Å; V246-K248 HydrophobicContact CG1-CG 4.39Å; V246-K248 PolarHBondContact O-N 3.31Å; K248-K250 PolarHBondContact O-N 3.13Å
249	D	92.5	Very high	93.5	Very high	92 Å²	92	58.3 Å²	58.3	49%	0.492	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.1	173.7	-65.2	-27.2	0	0	0	110.3	R238	R238-D249 HydrophobicContact CB-CB 4.48Å
250	K	96.3	Very high	93.5	Very high	85 Å²	85	60.4 Å²	60.4	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.6	173.6	-69.3	-174.6	174.6	177.2	0	109.9	R238 T239 V241 K248 G299	R238-K250 CarbonylContact C-O 3.58Å; R238-K250 WeakPolarHBondContact CA-O 3.41Å; T239-K250 PolarHBondContact N-O 3.46Å; T239-K250 PolarHBondContact O-N 3.08Å; T239-K250 PolarHBondContact OG1-O 3.39Å; V241-K250 HydrophobicContact CB-CD 4.42Å; V241-K250 HydrophobicContact CG2-CB 4.06Å; V241-K250 HydrophobicContact CG2-CD 4.49Å; K248-K250 PolarHBondContact O-N 3.13Å; K250-G299 VanDerWaalsContact CB-CA 3.48Å
251	I	98.3	Very high	93.7	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.056	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.5	177	-60	175.6	0	0	0	109	A199 I202 F236 A237 G299 G300 G301 F302	A199-I251 WeakPolarHBondContact O-CD1 3.46Å; I202-I251 HydrophobicContact CD1-CD1 3.77Å; I202-I251 HydrophobicContact CD1-CG1 3.87Å; I202-I251 HydrophobicContact CD1-CG2 3.92Å; I202-I251 HydrophobicContact CG1-CD1 3.71Å; I202-I251 HydrophobicContact CG1-CG1 4Å; F236-I251 HydrophobicContact CB-CG2 3.95Å; F236-I251 HydrophobicContact CD1-CG2 4.12Å; A237-I251 CarbonylContact O-C 3.53Å; A237-I251 WeakPolarHBondContact O-CA 3.42Å; I251-G299 CarbonylContact O-C 3.26Å; I251-G299 VanDerWaalsContact O-CA 3.31Å; I251-G299 WeakPolarHBondContact O-CA 3.3Å; I251-G300 PolarHBondContact O-N 2.84Å; I251-G301 VanDerWaalsContact O-CA 3.28Å; I251-G301 WeakPolarHBondContact O-CA 3.34Å; I251-G301 PolarHBondContact O-N 2.95Å; I251-F302 HydrophobicContact CB-CB 4.43Å; I251-F302 HydrophobicContact CD1-CB 4.44Å; I251-F302 HydrophobicContact CD1-CD2 4.11Å
252	T	98.7	Very high	94	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.3	170	-62.6	0	0	0	0	109.1	F236 A237 T239 F254 V294 G299	F236-T252 WeakPolarHBondContact CA-O 3.44Å; A237-T252 PolarHBondContact N-O 2.8Å; A237-T252 PolarHBondContact O-N 3.37Å; T239-T252 HydrophobicContact CG2-CG2 4.41Å; T239-T252 WeakPolarHBondContact CG2-OG1 3.44Å; T239-T252 PolarHBondContact OG1-OG1 2.99Å; T252-F254 HydrophobicContact CG2-CD2 4.2Å; T252-F254 HydrophobicContact CG2-CE1 3.97Å; T252-F254 HydrophobicContact CG2-CE2 3.58Å; T252-F254 HydrophobicContact CG2-CZ 3.45Å; T252-F254 VanDerWaalsContact CG2-CZ 3.45Å; T252-V294 HydrophobicContact CG2-CG1 3.73Å; T252-V294 HydrophobicContact CG2-CG2 4.2Å; T252-G299 PolarHBondContact OG1-N 3.48Å
253	A	98.8	Very high	94.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.4	175.5	0	0	0	0	0	109.6	V235 F236 I295 V304	V235-A253 CarbonylContact O-C 3.33Å; V235-A253 WeakPolarHBondContact O-CA 3.28Å; F236-A253 HydrophobicContact CD1-CB 3.85Å; F236-A253 HydrophobicContact CE1-CB 3.58Å; F236-A253 HydrophobicContact CZ-CB 4.37Å; A253-I295 HydrophobicContact CB-CB 4.07Å; A253-I295 PolarHBondContact O-N 3.37Å; A253-V304 HydrophobicContact CB-CB 4.31Å; A253-V304 HydrophobicContact CB-CG1 4.13Å
254	F	98.9	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.8	-175	-62.8	-89.7	0	0	0	111.2	A206 Y215 I217 T234 V235 A237 T239 T252 V256 V289 N293 V294	A206-F254 HydrophobicContact CB-CE2 3.75Å; A206-F254 HydrophobicContact CB-CZ 3.68Å; Y215-F254 HydrophobicContact CD1-CE1 4.35Å; Y215-F254 HydrophobicContact CD1-CZ 4.22Å; Y215-F254 AromaticContact CD2-CE1 3.59Å; Y215-F254 HydrophobicContact CD2-CE1 3.59Å; Y215-F254 HydrophobicContact CD2-CZ 4.25Å; Y215-F254 HydrophobicContact CE2-CE1 4.08Å; Y215-F254 AromaticContact CG-CE1 3.73Å; Y215-F254 HydrophobicContact CG-CE1 3.73Å; Y215-F254 HydrophobicContact CG-CZ 4.03Å; I217-F254 HydrophobicContact CD1-CB 4.22Å; I217-F254 HydrophobicContact CD1-CD1 4.48Å; I217-F254 HydrophobicContact CD1-CD2 3.92Å; I217-F254 HydrophobicContact CD1-CE2 4.38Å; I217-F254 HydrophobicContact CD1-CG 3.96Å; T234-F254 CarbonylContact C-O 3.09Å; T234-F254 WeakPolarHBondContact CA-O 3.33Å; V235-F254 PolarHBondContact N-O 3.02Å; V235-F254 PolarHBondContact O-N 3Å; A237-F254 HydrophobicContact CB-CD2 4.45Å; A237-F254 HydrophobicContact CB-CE2 4.12Å; T239-F254 HydrophobicContact CG2-CE2 4.15Å; T239-F254 HydrophobicContact CG2-CZ 3.69Å; T252-F254 HydrophobicContact CG2-CD2 4.2Å; T252-F254 HydrophobicContact CG2-CE1 3.97Å; T252-F254 HydrophobicContact CG2-CE2 3.58Å; T252-F254 HydrophobicContact CG2-CZ 3.45Å; T252-F254 VanDerWaalsContact CG2-CZ 3.45Å; F254-V256 HydrophobicContact CB-CG2 3.91Å; F254-V289 HydrophobicContact CB-CG1 4.3Å; F254-V289 HydrophobicContact CD1-CG1 4.01Å; F254-N293 CarbonylContact C-O 3.57Å; F254-N293 WeakPolarHBondContact CA-O 3.44Å; F254-V294 HydrophobicContact CD1-CG2 3.89Å; F254-V294 HydrophobicContact CE1-CG2 3.57Å; F254-V294 HydrophobicContact CZ-CG2 4.47Å
255	I	98.9	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.3	161.1	-50.5	173.2	0	0	0	107.2	I163 Q171 Y175 I232 N293 I295	I163-I255 HydrophobicContact CD1-CD1 3.89Å; I163-I255 HydrophobicContact CD1-CG1 4.13Å; I163-I255 HydrophobicContact CD1-CG2 4.23Å; I163-I255 HydrophobicContact CG1-CD1 3.76Å; I163-I255 HydrophobicContact CG1-CG1 3.98Å; Q171-I255 HydrophobicContact CB-CD1 3.93Å; Q171-I255 HydrophobicContact CG-CD1 3.86Å; Y175-I255 HydrophobicContact CD1-CG2 4.27Å; Y175-I255 HydrophobicContact CD2-CD1 3.63Å; Y175-I255 HydrophobicContact CD2-CG2 4.12Å; Y175-I255 HydrophobicContact CE1-CG2 3.97Å; Y175-I255 HydrophobicContact CE2-CB 4.34Å; Y175-I255 HydrophobicContact CE2-CD1 3.51Å; Y175-I255 HydrophobicContact CE2-CG2 3.83Å; Y175-I255 HydrophobicContact CG-CG2 4.36Å; I232-I255 HydrophobicContact CG2-CG2 3.74Å; I255-N293 HydrophobicContact CB-CB 4.3Å; I255-N293 PolarHBondContact N-O 2.97Å; I255-N293 WeakPolarHBondContact O-CB 3.41Å; I255-N293 PolarHBondContact O-ND2 3.47Å; I255-I295 HydrophobicContact CD1-CG1 4.16Å; I255-I295 HydrophobicContact CG1-CD1 3.61Å; I255-I295 HydrophobicContact CG1-CG1 3.48Å; I255-I295 VanDerWaalsContact CG1-CG1 3.48Å
256	V	98.8	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.5	-179.9	-176.6	0	0	0	0	108.9	I217 M233 V235 F254 I263 F284 V287 V289	I217-V256 HydrophobicContact CD1-CG2 4Å; M233-V256 HydrophobicContact CB-CB 4.38Å; M233-V256 PolarHBondContact N-O 2.9Å; M233-V256 PolarHBondContact O-N 2.88Å; V235-V256 HydrophobicContact CB-CG2 3.69Å; V235-V256 HydrophobicContact CG2-CB 3.75Å; V235-V256 HydrophobicContact CG2-CG1 4.48Å; V235-V256 HydrophobicContact CG2-CG2 3.43Å; V235-V256 VanDerWaalsContact CG2-CG2 3.43Å; F254-V256 HydrophobicContact CB-CG2 3.91Å; V256-I263 HydrophobicContact CG1-CD1 3.64Å; V256-F284 HydrophobicContact CG1-CE1 4.25Å; V256-V287 HydrophobicContact CG1-CG1 3.96Å; V256-V289 HydrophobicContact CG1-CG2 4.17Å; V256-V289 HydrophobicContact CG2-CG1 4.41Å; V256-V289 HydrophobicContact CG2-CG2 3.82Å
257	E	98.8	Very high	96.8	Very high	32 Å²	32	54.8 Å²	54.8	15%	0.15	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.9	174.2	-57.4	-175.4	-144.3	0	0	109.2	K174 Y175 D231 I232 A259 F260 I263	K174-E257 WeakPolarHBondContact CE-OE1 3.4Å; K174-E257 IonicContact NZ-OE1 2.94Å; K174-E257 PolarHBondContact NZ-OE1 3.02Å; Y175-E257 HydrophobicContact CE1-CG 3.99Å; Y175-E257 WeakPolarHBondContact CE1-OE1 3.3Å; Y175-E257 PolarHBondContact OH-OE1 2.89Å; Y175-E257 VanDerWaalsContact OH-OE1 3.06Å; D231-E257 CarbonylContact O-C 3.56Å; D231-E257 WeakPolarHBondContact O-CA 3.4Å; I232-E257 HydrophobicContact CD1-CB 4.42Å; I232-E257 HydrophobicContact CD1-CG 3.83Å; E257-A259 PolarHBondContact O-N 2.96Å; E257-A259 VanDerWaalsContact O-N 3.1Å; E257-F260 HydrophobicContact CB-CD1 3.92Å; E257-F260 HydrophobicContact CB-CD2 3.98Å; E257-F260 HydrophobicContact CB-CE1 3.79Å; E257-F260 HydrophobicContact CB-CE2 3.86Å; E257-F260 HydrophobicContact CB-CG 4.01Å; E257-F260 HydrophobicContact CB-CZ 3.77Å; E257-F260 HydrophobicContact CG-CD1 4.47Å; E257-F260 HydrophobicContact CG-CD2 4.48Å; E257-F260 HydrophobicContact CG-CE1 3.83Å; E257-F260 HydrophobicContact CG-CE2 3.86Å; E257-F260 HydrophobicContact CG-CZ 3.49Å; E257-F260 VanDerWaalsContact CG-CZ 3.49Å; E257-F260 WeakPolarHBondContact O-CB 3.22Å; E257-F260 PolarHBondContact O-N 2.89Å; E257-F260 WeakPolarHBondContact OE1-CZ 3.38Å; E257-I263 WeakPolarHBondContact O-CD1 3.49Å
258	K	98.1	Very high	97.1	Very high	84 Å²	84	50.1 Å²	50.1	37%	0.365	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-54.5	-31.1	173.2	-174.1	171.4	179.4	174.7	0	111.8	G228 A230 D231 F260 G261	G228-K258 PolarHBondContact O-NZ 3.33Å; A230-K258 WeakPolarHBondContact O-CD 3.34Å; D231-K258 PolarHBondContact O-N 2.82Å; K258-F260 PolarHBondContact O-N 3.28Å; K258-G261 PolarHBondContact O-N 3.04Å
259	A	98.1	Very high	97.4	Very high	88 Å²	88	48.4 Å²	48.4	73%	0.727	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14	178.8	0	0	0	0	0	114.7	E257 G261	E257-A259 PolarHBondContact O-N 2.96Å; E257-A259 VanDerWaalsContact O-N 3.1Å; A259-G261 PolarHBondContact O-N 3.2Å
260	F	98.5	Very high	97.6	Very high	46 Å²	46	50.3 Å²	50.3	20%	0.202	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-67.6	-12.1	176.5	-64.6	-22	0	0	0	113.5	E257 K258 V287 P288 V289 P290 N293	E257-F260 HydrophobicContact CB-CD1 3.92Å; E257-F260 HydrophobicContact CB-CD2 3.98Å; E257-F260 HydrophobicContact CB-CE1 3.79Å; E257-F260 HydrophobicContact CB-CE2 3.86Å; E257-F260 HydrophobicContact CB-CG 4.01Å; E257-F260 HydrophobicContact CB-CZ 3.77Å; E257-F260 HydrophobicContact CG-CD1 4.47Å; E257-F260 HydrophobicContact CG-CD2 4.48Å; E257-F260 HydrophobicContact CG-CE1 3.83Å; E257-F260 HydrophobicContact CG-CE2 3.86Å; E257-F260 HydrophobicContact CG-CZ 3.49Å; E257-F260 VanDerWaalsContact CG-CZ 3.49Å; E257-F260 WeakPolarHBondContact O-CB 3.22Å; E257-F260 PolarHBondContact O-N 2.89Å; E257-F260 WeakPolarHBondContact OE1-CZ 3.38Å; K258-F260 PolarHBondContact O-N 3.28Å; F260-V287 HydrophobicContact CB-CG1 4.11Å; F260-P288 WeakPolarHBondContact O-CD 3.42Å; F260-V289 HydrophobicContact CD2-CG2 4.38Å; F260-V289 HydrophobicContact CE2-CG1 4.46Å; F260-P290 HydrophobicContact CZ-CG 4.14Å; F260-N293 WeakPolarHBondContact CE2-ND2 3.42Å
261	G	97.8	Very high	97.7	Very high	34 Å²	34	48.6 Å²	48.6	35%	0.351	29%	0.289	S	S	.	.	S	Bend	trans	78.7	170.6	-178.5	0	0	0	0	0	112.5	K258 A259 I263	K258-G261 PolarHBondContact O-N 3.04Å; A259-G261 PolarHBondContact O-N 3.2Å; G261-I263 PolarHBondContact O-N 3.14Å
262	G	97.8	Very high	97.7	Very high	41 Å²	41	53.3 Å²	53.3	42%	0.423	31%	0.314	S	S	.	.	S	Bend	trans	71.1	11.2	-176.6	0	0	0	0	0	114.8	D285 V287	G262-D285 WeakPolarHBondContact CA-O 3.29Å; G262-D285 PolarHBondContact O-N 3.01Å; G262-V287 VanDerWaalsContact O-CG2 3.28Å; G262-V287 WeakPolarHBondContact O-CG2 3.43Å
263	I	98.5	Very high	97.6	Very high	30 Å²	30	53.5 Å²	53.5	15%	0.154	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.5	-179	-59.2	160.7	0	0	0	109.4	M233 V256 E257 G261 V282 S283 F284 V287	M233-I263 HydrophobicContact CE-CG2 4.19Å; M233-I263 HydrophobicContact SD-CG2 4.47Å; V256-I263 HydrophobicContact CG1-CD1 3.64Å; E257-I263 WeakPolarHBondContact O-CD1 3.49Å; G261-I263 PolarHBondContact O-N 3.14Å; I263-V282 HydrophobicContact CG2-CG1 3.99Å; I263-S283 WeakPolarHBondContact CA-O 3.42Å; I263-F284 HydrophobicContact CG1-CD1 4.01Å; I263-F284 HydrophobicContact CG1-CE1 4.28Å; I263-V287 HydrophobicContact CD1-CG1 4Å; I263-V287 HydrophobicContact CD1-CG2 4.47Å; I263-V287 HydrophobicContact CG1-CG1 4.07Å; I263-V287 HydrophobicContact CG1-CG2 3.64Å
264	S	97.6	Very high	97.6	Very high	71 Å²	71	54.2 Å²	54.2	50%	0.497	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.8	171.4	64.5	0	0	0	0	110.7	V282 S283	S264-V282 WeakPolarHBondContact O-CA 3.4Å; S264-S283 PolarHBondContact N-O 3.3Å; S264-S283 PolarHBondContact O-N 3.02Å
265	S	96.6	Very high	97.5	Very high	48 Å²	48	57.6 Å²	57.6	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.1	179	57.5	0	0	0	0	110.2	E281	S265-E281 CarbonylContact C-O 3.5Å; S265-E281 VanDerWaalsContact CA-O 3.32Å; S265-E281 WeakPolarHBondContact CA-O 3.46Å
266	G	94.2	Very high	97.5	Very high	30 Å²	30	57.9 Å²	57.9	31%	0.309	34%	0.335	S	S	.	.			trans	-72	177.2	176.9	0	0	0	0	0	113	E281	G266-E281 PolarHBondContact N-O 3.29Å
267	K	96	Very high	97.5	Very high	186 Å²	186	57.9 Å²	57.9	81%	0.809	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.5	152.2	169.7	-67.4	-178.7	-178.2	176.4	0	110.1	E269	K267-E269 PolarHBondContact O-N 3.16Å
268	P	95.8	Very high	97.4	Very high	71 Å²	71	59.6 Å²	59.6	46%	0.461	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-59.4	136	171	-5.4	13.2	0	0	0	110.8	Y278 T279	P268-Y278 HydrophobicContact CB-CD2 4.45Å; P268-Y278 HydrophobicContact CB-CE1 4.28Å; P268-Y278 HydrophobicContact CB-CE2 4.18Å; P268-Y278 WeakPolarHBondContact CD-OH 3.24Å; P268-Y278 HydrophobicContact CG-CD2 4.28Å; P268-Y278 HydrophobicContact CG-CE1 4.24Å; P268-Y278 HydrophobicContact CG-CE2 3.59Å; P268-T279 CarbonylContact C-O 3.59Å; P268-T279 WeakPolarHBondContact CA-O 3.22Å
269	E	97.1	Very high	97.4	Very high	67 Å²	67	56 Å²	56	31%	0.313	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-66.9	136.1	174.5	-63.6	-68.4	179.9	0	0	111.3	K267 K271 T279	K267-E269 PolarHBondContact O-N 3.16Å; E269-K271 HydrophobicContact CB-CD 4.04Å; E269-K271 HydrophobicContact CB-CG 3.81Å; E269-K271 PolarHBondContact O-NZ 3.44Å; E269-T279 HydrophobicContact CG-CG2 4.41Å; E269-T279 WeakPolarHBondContact CG-O 3.45Å; E269-T279 PolarHBondContact N-O 3.03Å
270	D	96.6	Very high	97.4	Very high	133 Å²	133	51.9 Å²	51.9	71%	0.711	29%	0.292	S	S	*	.			trans	-83.1	113.8	168.3	-169.9	22	0	0	0	109.5	R275	D270-R275 IonicContact OD1-CZ 2.71Å; D270-R275 IonicContact OD1-NH2 2.77Å; D270-R275 PolarHBondContact OD1-NH2 3.47Å
271	K	97.6	Very high	97.3	Very high	49 Å²	49	52.6 Å²	52.6	21%	0.213	30%	0.296	C	S	.	.			trans	-122.1	156.7	-165.3	-64.4	176.2	-68.2	-69.5	0	110.8	E269 G273 S277 T279	E269-K271 HydrophobicContact CB-CD 4.04Å; E269-K271 HydrophobicContact CB-CG 3.81Å; E269-K271 PolarHBondContact O-NZ 3.44Å; K271-G273 PolarHBondContact O-N 3.41Å; K271-S277 PolarHBondContact NZ-O 3.31Å; K271-T279 HydrophobicContact CD-CG2 4.37Å; K271-T279 WeakPolarHBondContact CE-OG1 3.41Å; K271-T279 PolarHBondContact NZ-OG1 3.15Å
272	L	97.8	Very high	97.4	Very high	109 Å²	109	51 Å²	51	57%	0.571	28%	0.279	S	S	*	.	S	Bend	trans	-55.2	-53.4	177.4	177.6	63.7	0	0	0	112.3	R426 R429	L272-R426 HydrophobicContact CD1-CB 4.47Å; L272-R426 HydrophobicContact CD1-CG 3.92Å; L272-R426 HydrophobicContact CG-CB 4.13Å; L272-R426 HydrophobicContact CG-CG 4.13Å; L272-R426 WeakPolarHBondContact O-CB 3.4Å; L272-R426 VanDerWaalsContact O-CD 3.26Å; L272-R426 WeakPolarHBondContact O-CD 3.29Å; L272-R426 PolarHBondContact O-NH1 3.26Å; L272-R429 HydrophobicContact CD2-CB 3.91Å; L272-R429 HydrophobicContact CD2-CG 3.88Å
273	G	98	Very high	97.4	Very high	5 Å²	5	50.8 Å²	50.8	5%	0.052	27%	0.271	C	S	.	.	S	Bend	trans	-136.9	-171.2	-178.4	0	0	0	0	0	111.2	K271 R275 D427	K271-G273 PolarHBondContact O-N 3.41Å; G273-R275 PolarHBondContact O-N 3.48Å; G273-R275 VanDerWaalsContact O-N 3.11Å; G273-D427 WeakPolarHBondContact CA-OD1 3.18Å
274	I	98.2	Very high	97.4	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.072	27%	0.265	C	S	.	.			trans	45.3	39.9	-173.9	57.6	166.5	0	0	0	111.5	S147 V150 G276 S277 D427 I430	S147-I274 WeakPolarHBondContact OG-CA 3.46Å; S147-I274 PolarHBondContact OG-O 3.45Å; V150-I274 HydrophobicContact CB-CD1 4.46Å; V150-I274 HydrophobicContact CG1-CD1 4.26Å; V150-I274 HydrophobicContact CG2-CD1 4.03Å; V150-I274 HydrophobicContact CG2-CG2 4.27Å; I274-G276 PolarHBondContact O-N 2.93Å; I274-G276 VanDerWaalsContact O-N 3.14Å; I274-S277 VanDerWaalsContact O-CB 3.31Å; I274-S277 WeakPolarHBondContact O-CB 3.47Å; I274-S277 PolarHBondContact O-N 3.3Å; I274-D427 HydrophobicContact CG2-CB 3.92Å; I274-D427 PolarHBondContact N-OD1 2.98Å; I274-I430 HydrophobicContact CD1-CG2 3.97Å
275	R	98	Very high	97.5	Very high	71 Å²	71	51.3 Å²	51.3	27%	0.268	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.6	-165	-64.2	-175.2	65.3	134.3	14.1	113.2	D98 A101 S147 D270 G273 S277	D98-R275 VanDerWaalsContact OD1-CD 3.28Å; D98-R275 WeakPolarHBondContact OD1-CD 3.42Å; D98-R275 WeakPolarHBondContact OD1-CG 3.35Å; A101-R275 CarbonylContact C-O 3.56Å; A101-R275 VanDerWaalsContact C-O 3.26Å; A101-R275 VanDerWaalsContact CA-O 3.29Å; A101-R275 WeakPolarHBondContact CA-O 3.18Å; A101-R275 HydrophobicContact CB-CB 4.1Å; S147-R275 PolarHBondContact OG-N 3.04Å; D270-R275 IonicContact OD1-CZ 2.71Å; D270-R275 IonicContact OD1-NH2 2.77Å; D270-R275 PolarHBondContact OD1-NH2 3.47Å; G273-R275 PolarHBondContact O-N 3.48Å; G273-R275 VanDerWaalsContact O-N 3.11Å; R275-S277 VanDerWaalsContact C-N 3.29Å
276	G	97.8	Very high	97.6	Very high	6 Å²	6	53 Å²	53	6%	0.062	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.2	176.3	0	0	0	0	0	114.2	S147 I274	S147-G276 WeakPolarHBondContact OG-CA 3.22Å; S147-G276 PolarHBondContact OG-N 3.45Å; I274-G276 PolarHBondContact O-N 2.93Å; I274-G276 VanDerWaalsContact O-N 3.14Å
277	S	98	Very high	97.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	26%	0.259	C	S	.	.	S	Bend	trans	-75.4	123.7	176.3	-177.6	0	0	0	0	110.1	V150 K271 I274 R275 T279	V150-S277 WeakPolarHBondContact CG1-OG 3.46Å; K271-S277 PolarHBondContact NZ-O 3.31Å; I274-S277 VanDerWaalsContact O-CB 3.31Å; I274-S277 WeakPolarHBondContact O-CB 3.47Å; I274-S277 PolarHBondContact O-N 3.3Å; R275-S277 VanDerWaalsContact C-N 3.29Å; S277-T279 PolarHBondContact O-N 3.17Å
278	Y	96.5	Very high	97.9	Very high	68 Å²	68	45 Å²	45	27%	0.267	24%	0.236	S	C	.	.			trans	-74.1	124.9	179.5	-156.9	-72.8	0	0	0	109.5	S225 N226 G228 F229 P268 C280	S225-Y278 CarbonylContact C-O 3.56Å; S225-Y278 VanDerWaalsContact CA-O 3.27Å; S225-Y278 WeakPolarHBondContact CA-O 3.39Å; N226-Y278 PolarHBondContact N-O 3.29Å; G228-Y278 VanDerWaalsContact CA-CE1 3.4Å; F229-Y278 HydrophobicContact CD1-CD2 4.19Å; F229-Y278 HydrophobicContact CD1-CG 4.02Å; F229-Y278 VanDerWaalsContact CE1-CB 3.48Å; F229-Y278 HydrophobicContact CE1-CG 4.15Å; P268-Y278 HydrophobicContact CB-CD2 4.45Å; P268-Y278 HydrophobicContact CB-CE1 4.28Å; P268-Y278 HydrophobicContact CB-CE2 4.18Å; P268-Y278 WeakPolarHBondContact CD-OH 3.24Å; P268-Y278 HydrophobicContact CG-CD2 4.28Å; P268-Y278 HydrophobicContact CG-CE1 4.24Å; P268-Y278 HydrophobicContact CG-CE2 3.59Å; Y278-C280 HydrophobicContact CD1-CB 4.28Å; Y278-C280 HydrophobicContact CE1-CB 3.77Å
279	T	98.4	Very high	98	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128	177.3	-48.1	0	0	0	0	107.5	W223 I224 P268 E269 K271 S277	W223-T279 VanDerWaalsContact C-CG2 3.5Å; W223-T279 HydrophobicContact CB-CG2 3.88Å; I224-T279 WeakPolarHBondContact O-CA 3.45Å; P268-T279 CarbonylContact C-O 3.59Å; P268-T279 WeakPolarHBondContact CA-O 3.22Å; E269-T279 HydrophobicContact CG-CG2 4.41Å; E269-T279 WeakPolarHBondContact CG-O 3.45Å; E269-T279 PolarHBondContact N-O 3.03Å; K271-T279 HydrophobicContact CD-CG2 4.37Å; K271-T279 WeakPolarHBondContact CE-OG1 3.41Å; K271-T279 PolarHBondContact NZ-OG1 3.15Å; S277-T279 PolarHBondContact O-N 3.17Å
280	C	98.1	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	172.2	-179.7	65.2	0	0	0	0	111.7	W223 I224 G227 G228 Y278	W223-C280 PolarHBondContact N-O 3.13Å; I224-C280 PolarHBondContact N-O 3.37Å; I224-C280 PolarHBondContact O-N 3Å; G227-C280 VanDerWaalsContact C-SG 3.54Å; G228-C280 PolarHBondContact N-SG 3.26Å; Y278-C280 HydrophobicContact CD1-CB 4.28Å; Y278-C280 HydrophobicContact CE1-CB 3.77Å
281	E	98.1	Very high	98.2	Very high	62 Å²	62	35.5 Å²	35.5	29%	0.29	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	147.3	158.9	-173.1	177	176.9	0	0	110.6	S220 K221 F222 S265 G266	S220-E281 WeakPolarHBondContact CB-OE1 3.5Å; S220-E281 PolarHBondContact OG-OE1 3.3Å; K221-E281 CarbonylContact O-C 3.59Å; K221-E281 VanDerWaalsContact O-CA 3.26Å; K221-E281 WeakPolarHBondContact O-CA 3.49Å; K221-E281 WeakPolarHBondContact O-CG 3.28Å; F222-E281 HydrophobicContact CD2-CB 4Å; F222-E281 HydrophobicContact CD2-CG 4.01Å; F222-E281 HydrophobicContact CE2-CB 4.15Å; F222-E281 HydrophobicContact CE2-CG 4.42Å; S265-E281 CarbonylContact C-O 3.5Å; S265-E281 VanDerWaalsContact CA-O 3.32Å; S265-E281 WeakPolarHBondContact CA-O 3.46Å; G266-E281 PolarHBondContact N-O 3.29Å
282	V	98.6	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124	168.9	-177.5	0	0	0	0	108.4	S220 K221 I224 M233 I263 S264 F284	S220-V282 CarbonylContact C-O 3.58Å; S220-V282 WeakPolarHBondContact CA-O 3.26Å; K221-V282 PolarHBondContact N-O 2.91Å; K221-V282 PolarHBondContact O-N 2.95Å; I224-V282 HydrophobicContact CB-CG2 3.94Å; I224-V282 HydrophobicContact CG1-CG2 4.12Å; I224-V282 HydrophobicContact CG2-CG2 4.13Å; M233-V282 HydrophobicContact CE-CG1 4.15Å; M233-V282 HydrophobicContact SD-CG1 3.9Å; I263-V282 HydrophobicContact CG2-CG1 3.99Å; S264-V282 WeakPolarHBondContact O-CA 3.4Å; V282-F284 HydrophobicContact CB-CE2 4.22Å; V282-F284 HydrophobicContact CB-CZ 4.35Å; V282-F284 HydrophobicContact CG1-CE1 4.2Å; V282-F284 HydrophobicContact CG1-CE2 3.76Å; V282-F284 HydrophobicContact CG1-CZ 3.54Å
283	S	98.5	Very high	98.3	Very high	36 Å²	36	33.8 Å²	33.8	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.7	-178.5	-46.5	0	0	0	0	110.4	I263 S264	I263-S283 WeakPolarHBondContact CA-O 3.42Å; S264-S283 PolarHBondContact N-O 3.3Å; S264-S283 PolarHBondContact O-N 3.02Å
284	F	98.8	Very high	98.3	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.1	179.6	-55	-92.6	0	0	0	107.8	I217 N218 G219 K221 M233 V235 V256 I263 V282 V287	I217-F284 HydrophobicContact CG2-CB 4.02Å; I217-F284 HydrophobicContact CG2-CD1 4.5Å; I217-F284 HydrophobicContact CG2-CG 4.22Å; N218-F284 WeakPolarHBondContact CA-O 3.46Å; G219-F284 PolarHBondContact N-O 2.91Å; G219-F284 PolarHBondContact O-N 3.22Å; K221-F284 HydrophobicContact CB-CE2 4.18Å; K221-F284 HydrophobicContact CG-CD2 4.34Å; K221-F284 HydrophobicContact CG-CE2 3.6Å; K221-F284 HydrophobicContact CG-CZ 4.49Å; M233-F284 HydrophobicContact SD-CE1 4.19Å; M233-F284 HydrophobicContact SD-CZ 4.1Å; V235-F284 HydrophobicContact CG1-CE1 4.45Å; V235-F284 HydrophobicContact CG1-CE2 4.45Å; V235-F284 HydrophobicContact CG1-CZ 4.21Å; V235-F284 HydrophobicContact CG2-CE1 3.72Å; V235-F284 HydrophobicContact CG2-CZ 3.66Å; V256-F284 HydrophobicContact CG1-CE1 4.25Å; I263-F284 HydrophobicContact CG1-CD1 4.01Å; I263-F284 HydrophobicContact CG1-CE1 4.28Å; V282-F284 HydrophobicContact CB-CE2 4.22Å; V282-F284 HydrophobicContact CB-CZ 4.35Å; V282-F284 HydrophobicContact CG1-CE1 4.2Å; V282-F284 HydrophobicContact CG1-CE2 3.76Å; V282-F284 HydrophobicContact CG1-CZ 3.54Å; F284-V287 HydrophobicContact CB-CG2 3.84Å; F284-V287 HydrophobicContact CD1-CG2 4.02Å; F284-V287 HydrophobicContact CG-CG2 4.44Å
285	D	98.6	Very high	98.3	Very high	107 Å²	107	33.6 Å²	33.6	57%	0.572	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	105.3	176	179.6	9.2	0	0	0	108.7	G262 V287	G262-D285 WeakPolarHBondContact CA-O 3.29Å; G262-D285 PolarHBondContact O-N 3.01Å; D285-V287 PolarHBondContact O-N 3.2Å; D285-V287 VanDerWaalsContact O-N 3.11Å
286	N	98.3	Very high	98.3	Very high	83 Å²	83	32.2 Å²	32.2	44%	0.444	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	45.4	43.6	179.7	-66.2	-68.3	0	0	0	114.2	I217 N218 P288	I217-N286 PolarHBondContact O-N 3.39Å; N218-N286 PolarHBondContact ND2-OD1 3.17Å; N218-N286 PolarHBondContact OD1-N 2.99Å; N218-N286 PolarHBondContact OD1-ND2 3.34Å; N218-N286 PolarHBondContact OD1-OD1 2.89Å; N286-P288 WeakPolarHBondContact O-CD 3.44Å
287	V	98.8	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	119.4	-176.4	-179.7	0	0	0	0	109.7	L216 I217 V256 F260 G262 I263 F284 D285 V289	L216-V287 WeakPolarHBondContact CA-O 3.47Å; I217-V287 HydrophobicContact CB-CB 4.33Å; I217-V287 PolarHBondContact N-O 3.32Å; I217-V287 PolarHBondContact O-N 3.5Å; V256-V287 HydrophobicContact CG1-CG1 3.96Å; F260-V287 HydrophobicContact CB-CG1 4.11Å; G262-V287 VanDerWaalsContact O-CG2 3.28Å; G262-V287 WeakPolarHBondContact O-CG2 3.43Å; I263-V287 HydrophobicContact CD1-CG1 4Å; I263-V287 HydrophobicContact CD1-CG2 4.47Å; I263-V287 HydrophobicContact CG1-CG1 4.07Å; I263-V287 HydrophobicContact CG1-CG2 3.64Å; F284-V287 HydrophobicContact CB-CG2 3.84Å; F284-V287 HydrophobicContact CD1-CG2 4.02Å; F284-V287 HydrophobicContact CG-CG2 4.44Å; D285-V287 PolarHBondContact O-N 3.2Å; D285-V287 VanDerWaalsContact O-N 3.11Å; V287-V289 HydrophobicContact CG1-CG2 3.9Å; V287-V289 PolarHBondContact O-N 3.21Å; V287-V289 VanDerWaalsContact O-N 3.11Å
288	P	98.5	Very high	98.2	Very high	48 Å²	48	42.1 Å²	42.1	31%	0.312	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	87.5	-175	33.4	-34.3	0	0	0	111.2	H214 L216 F260 N286	H214-P288 HydrophobicContact CB-CB 4.49Å; L216-P288 HydrophobicContact CD2-CB 4.19Å; F260-P288 WeakPolarHBondContact O-CD 3.42Å; N286-P288 WeakPolarHBondContact O-CD 3.44Å
289	V	98.8	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.5	-178.9	-176.9	0	0	0	0	110.2	H214 Y215 I217 F254 V256 F260 V287 N293	H214-V289 CarbonylContact C-O 3.5Å; H214-V289 VanDerWaalsContact CA-O 3.24Å; H214-V289 WeakPolarHBondContact CA-O 3.19Å; Y215-V289 PolarHBondContact N-O 3.38Å; Y215-V289 PolarHBondContact O-N 3.2Å; I217-V289 HydrophobicContact CD1-CB 4.35Å; I217-V289 HydrophobicContact CD1-CG2 3.64Å; I217-V289 HydrophobicContact CG1-CG2 3.88Å; F254-V289 HydrophobicContact CB-CG1 4.3Å; F254-V289 HydrophobicContact CD1-CG1 4.01Å; V256-V289 HydrophobicContact CG1-CG2 4.17Å; V256-V289 HydrophobicContact CG2-CG1 4.41Å; V256-V289 HydrophobicContact CG2-CG2 3.82Å; F260-V289 HydrophobicContact CD2-CG2 4.38Å; F260-V289 HydrophobicContact CE2-CG1 4.46Å; V287-V289 HydrophobicContact CG1-CG2 3.9Å; V287-V289 PolarHBondContact O-N 3.21Å; V287-V289 VanDerWaalsContact O-N 3.11Å; V289-N293 HydrophobicContact CG1-CB 3.79Å
290	P	98.6	Very high	98.1	Very high	16 Å²	16	40.3 Å²	40.3	10%	0.104	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	147.6	179.6	-24.3	34	0	0	0	113.3	F260 E292 N293	F260-P290 HydrophobicContact CZ-CG 4.14Å; P290-E292 HydrophobicContact CB-CG 4.17Å; P290-E292 VanDerWaalsContact CB-OE1 3.31Å; P290-E292 WeakPolarHBondContact CB-OE1 3.41Å; P290-E292 WeakPolarHBondContact CB-OE2 3.47Å; P290-E292 PolarHBondContact O-N 2.82Å; P290-N293 WeakPolarHBondContact O-CB 3.27Å; P290-N293 PolarHBondContact O-N 3.25Å
291	V	98.3	Very high	98	Very high	56 Å²	56	40.3 Å²	40.3	34%	0.339	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61	-30.2	179.8	-69.4	0	0	0	0	112.9	L208 G212 K213 Y215 N293 V294	L208-V291 HydrophobicContact CD1-CG1 3.77Å; G212-V291 WeakPolarHBondContact O-CG1 3.32Å; K213-V291 PolarHBondContact O-N 2.97Å; Y215-V291 HydrophobicContact CD2-CG1 4.06Å; Y215-V291 HydrophobicContact CE2-CB 4.42Å; Y215-V291 HydrophobicContact CE2-CG1 3.81Å; V291-N293 PolarHBondContact O-N 3.39Å; V291-V294 WeakPolarHBondContact O-CG2 3.31Å; V291-V294 PolarHBondContact O-N 2.73Å
292	E	98.3	Very high	97.9	Very high	117 Å²	117	41.5 Å²	41.5	55%	0.547	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-70.5	-9.6	175.4	69.4	-88.4	-156.5	0	0	113.8	Q171 P290	Q171-E292 PolarHBondContact NE2-O 2.65Å; P290-E292 HydrophobicContact CB-CG 4.17Å; P290-E292 VanDerWaalsContact CB-OE1 3.31Å; P290-E292 WeakPolarHBondContact CB-OE1 3.41Å; P290-E292 WeakPolarHBondContact CB-OE2 3.47Å; P290-E292 PolarHBondContact O-N 2.82Å
293	N	98.7	Very high	97.7	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-89.8	3.1	175.5	-85.3	33	0	0	0	113.1	Y175 F254 I255 F260 V289 P290 V291 I295	Y175-N293 VanDerWaalsContact OH-CG 3.31Å; Y175-N293 PolarHBondContact OH-ND2 3.48Å; Y175-N293 PolarHBondContact OH-OD1 3.09Å; F254-N293 CarbonylContact C-O 3.57Å; F254-N293 WeakPolarHBondContact CA-O 3.44Å; I255-N293 HydrophobicContact CB-CB 4.3Å; I255-N293 PolarHBondContact N-O 2.97Å; I255-N293 WeakPolarHBondContact O-CB 3.41Å; I255-N293 PolarHBondContact O-ND2 3.47Å; F260-N293 WeakPolarHBondContact CE2-ND2 3.42Å; V289-N293 HydrophobicContact CG1-CB 3.79Å; P290-N293 WeakPolarHBondContact O-CB 3.27Å; P290-N293 PolarHBondContact O-N 3.25Å; V291-N293 PolarHBondContact O-N 3.39Å; N293-I295 PolarHBondContact O-N 3.34Å
294	V	98.8	Very high	97.6	Very high	15 Å²	15	47.7 Å²	47.7	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.1	167.7	173.3	0	0	0	0	110	Q171 Y215 T252 F254 V291 V298	Q171-V294 PolarHBondContact NE2-O 3.1Å; Y215-V294 HydrophobicContact CD2-CG2 4.35Å; Y215-V294 HydrophobicContact CE2-CG2 3.88Å; T252-V294 HydrophobicContact CG2-CG1 3.73Å; T252-V294 HydrophobicContact CG2-CG2 4.2Å; F254-V294 HydrophobicContact CD1-CG2 3.89Å; F254-V294 HydrophobicContact CE1-CG2 3.57Å; F254-V294 HydrophobicContact CZ-CG2 4.47Å; V291-V294 WeakPolarHBondContact O-CG2 3.31Å; V291-V294 PolarHBondContact O-N 2.73Å; V294-V298 HydrophobicContact CG1-CG2 4.18Å; V294-V298 HydrophobicContact CG2-CG2 4.4Å
295	I	98.4	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.8	176.2	-55.1	172.7	0	0	0	108.7	G162 A166 T234 A253 I255 N293 V304	G162-I295 WeakPolarHBondContact O-CG2 3.49Å; A166-I295 HydrophobicContact CB-CG2 3.75Å; T234-I295 HydrophobicContact CG2-CD1 3.91Å; A253-I295 HydrophobicContact CB-CB 4.07Å; A253-I295 PolarHBondContact O-N 3.37Å; I255-I295 HydrophobicContact CD1-CG1 4.16Å; I255-I295 HydrophobicContact CG1-CD1 3.61Å; I255-I295 HydrophobicContact CG1-CG1 3.48Å; I255-I295 VanDerWaalsContact CG1-CG1 3.48Å; N293-I295 PolarHBondContact O-N 3.34Å; I295-V304 HydrophobicContact CG2-CG1 4.27Å
296	G	97	Very high	97.2	Very high	43 Å²	43	44.7 Å²	44.7	44%	0.443	25%	0.246	S	C	.	.	S	Bend	trans	70.4	-128.1	-174.4	0	0	0	0	0	111.8	A166	A166-G296 PolarHBondContact O-N 2.94Å
297	E	96.2	Very high	96.9	Very high	154 Å²	154	44.4 Å²	44.4	72%	0.72	24%	0.244	S	C	*	.	S	Bend	trans	-109.3	147.5	-175.4	-64.8	175.7	-179.3	0	0	111.8	G299 G300	E297-G299 PolarHBondContact O-N 3.34Å; E297-G300 WeakPolarHBondContact O-CA 3.4Å; E297-G300 PolarHBondContact O-N 3.27Å
298	V	97.3	Very high	96.7	Very high	61 Å²	61	44.4 Å²	44.4	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	126	169.8	-176.9	0	0	0	0	109.3	V241 V294 G300	V241-V298 HydrophobicContact CG2-CG1 3.94Å; V294-V298 HydrophobicContact CG1-CG2 4.18Å; V294-V298 HydrophobicContact CG2-CG2 4.4Å; V298-G300 VanDerWaalsContact C-N 3.27Å; V298-G300 PolarHBondContact O-N 3.41Å
299	G	96.4	Very high	96.3	Very high	17 Å²	17	43 Å²	43	18%	0.175	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-0.3	-173.5	0	0	0	0	0	115.2	K250 I251 T252 E297	K250-G299 VanDerWaalsContact CB-CA 3.48Å; I251-G299 CarbonylContact O-C 3.26Å; I251-G299 VanDerWaalsContact O-CA 3.31Å; I251-G299 WeakPolarHBondContact O-CA 3.3Å; T252-G299 PolarHBondContact OG1-N 3.48Å; E297-G299 PolarHBondContact O-N 3.34Å
300	G	96.4	Very high	95.9	Very high	21 Å²	21	44.1 Å²	44.1	22%	0.216	24%	0.24	C	C	.	.			trans	-92.3	0.9	178	0	0	0	0	0	114.9	I251 E297 V298 F302 K303 V304	I251-G300 PolarHBondContact O-N 2.84Å; E297-G300 WeakPolarHBondContact O-CA 3.4Å; E297-G300 PolarHBondContact O-N 3.27Å; V298-G300 VanDerWaalsContact C-N 3.27Å; V298-G300 PolarHBondContact O-N 3.41Å; G300-F302 VanDerWaalsContact C-N 3.35Å; G300-F302 PolarHBondContact O-N 3.25Å; G300-K303 PolarHBondContact O-N 3.27Å; G300-V304 PolarHBondContact O-N 2.93Å
301	G	97.2	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-30.7	-170.5	0	0	0	0	0	115.1	F236 I251 K303 V304 A305	F236-G301 WeakPolarHBondContact CE1-O 3.47Å; I251-G301 VanDerWaalsContact O-CA 3.28Å; I251-G301 WeakPolarHBondContact O-CA 3.34Å; I251-G301 PolarHBondContact O-N 2.95Å; G301-K303 VanDerWaalsContact C-N 3.35Å; G301-K303 PolarHBondContact O-N 3.14Å; G301-V304 WeakPolarHBondContact O-CB 3.34Å; G301-V304 PolarHBondContact O-N 2.72Å; G301-A305 PolarHBondContact O-N 2.94Å
302	F	95.8	Very high	94.6	Very high	88 Å²	88	41.9 Å²	41.9	39%	0.386	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-41	176.2	-174.9	-99.4	0	0	0	112	A199 A200 I251 G300 V304 A305 M306	A199-F302 HydrophobicContact CB-CE2 4.24Å; A200-F302 HydrophobicContact CB-CD2 4.37Å; A200-F302 HydrophobicContact CB-CE2 3.97Å; I251-F302 HydrophobicContact CB-CB 4.43Å; I251-F302 HydrophobicContact CD1-CB 4.44Å; I251-F302 HydrophobicContact CD1-CD2 4.11Å; G300-F302 VanDerWaalsContact C-N 3.35Å; G300-F302 PolarHBondContact O-N 3.25Å; F302-V304 VanDerWaalsContact C-N 3.33Å; F302-V304 PolarHBondContact O-N 2.82Å; F302-A305 PolarHBondContact O-N 2.77Å; F302-M306 HydrophobicContact CD1-CG 4.27Å; F302-M306 HydrophobicContact CE1-CG 3.88Å; F302-M306 HydrophobicContact CE2-CE 4.31Å; F302-M306 HydrophobicContact CZ-CE 4.43Å; F302-M306 HydrophobicContact CZ-CG 4.08Å; F302-M306 HydrophobicContact CZ-SD 4.23Å; F302-M306 WeakPolarHBondContact O-CG 3.44Å; F302-M306 PolarHBondContact O-N 3.28Å
303	K	94.7	Very high	94.4	Very high	152 Å²	152	37.1 Å²	37.1	66%	0.661	21%	0.205	S	C	*	.	H	α-helix	trans	-64.5	-40.4	175.4	-177.4	-179.1	175.9	-173.9	0	110.9	G300 G301 M306 N307	G300-K303 PolarHBondContact O-N 3.27Å; G301-K303 VanDerWaalsContact C-N 3.35Å; G301-K303 PolarHBondContact O-N 3.14Å; K303-M306 PolarHBondContact O-N 3.49Å; K303-N307 WeakPolarHBondContact O-CB 3.2Å; K303-N307 VanDerWaalsContact O-CG 3.25Å; K303-N307 PolarHBondContact O-N 3.43Å
304	V	96.3	Very high	94.2	Very high	13 Å²	13	37 Å²	37	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-48.7	174.9	176.3	0	0	0	0	110.6	A166 F236 A253 I295 G300 G301 F302 M306 N307 I308	A166-V304 HydrophobicContact CB-CG1 4.48Å; A166-V304 HydrophobicContact CB-CG2 4.23Å; F236-V304 HydrophobicContact CE1-CG1 4.47Å; A253-V304 HydrophobicContact CB-CB 4.31Å; A253-V304 HydrophobicContact CB-CG1 4.13Å; I295-V304 HydrophobicContact CG2-CG1 4.27Å; G300-V304 PolarHBondContact O-N 2.93Å; G301-V304 WeakPolarHBondContact O-CB 3.34Å; G301-V304 PolarHBondContact O-N 2.72Å; F302-V304 VanDerWaalsContact C-N 3.33Å; F302-V304 PolarHBondContact O-N 2.82Å; V304-M306 PolarHBondContact O-N 2.78Å; V304-N307 PolarHBondContact O-N 2.97Å; V304-I308 HydrophobicContact CG1-CD1 3.77Å; V304-I308 HydrophobicContact CG1-CG1 4.4Å; V304-I308 VanDerWaalsContact O-CG1 3.29Å; V304-I308 WeakPolarHBondContact O-CG1 3.2Å; V304-I308 PolarHBondContact O-N 3.5Å
305	A	95.1	Very high	94	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-48	177.6	0	0	0	0	0	112.1	L190 F236 G301 F302 N307 I308 L309	L190-A305 HydrophobicContact CD2-CB 4.41Å; F236-A305 HydrophobicContact CD1-CB 4.06Å; F236-A305 HydrophobicContact CE1-CB 3.54Å; F236-A305 HydrophobicContact CZ-CB 3.82Å; G301-A305 PolarHBondContact O-N 2.94Å; F302-A305 PolarHBondContact O-N 2.77Å; A305-N307 PolarHBondContact O-N 3.06Å; A305-I308 PolarHBondContact O-N 2.68Å; A305-L309 WeakPolarHBondContact O-CG 2.93Å; A305-L309 PolarHBondContact O-N 2.91Å; A305-L309 VanDerWaalsContact O-N 3.09Å
306	M	92.6	Very high	93.8	Very high	50 Å²	50	37.9 Å²	37.9	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-40.2	-179.8	-66.4	-57.1	99.9	0	0	112.2	F302 K303 V304 L309 N310	F302-M306 HydrophobicContact CD1-CG 4.27Å; F302-M306 HydrophobicContact CE1-CG 3.88Å; F302-M306 HydrophobicContact CE2-CE 4.31Å; F302-M306 HydrophobicContact CZ-CE 4.43Å; F302-M306 HydrophobicContact CZ-CG 4.08Å; F302-M306 HydrophobicContact CZ-SD 4.23Å; F302-M306 WeakPolarHBondContact O-CG 3.44Å; F302-M306 PolarHBondContact O-N 3.28Å; K303-M306 PolarHBondContact O-N 3.49Å; V304-M306 PolarHBondContact O-N 2.78Å; M306-L309 HydrophobicContact CE-CD1 3.79Å; M306-L309 PolarHBondContact O-N 3.5Å; M306-N310 VanDerWaalsContact O-CB 3.31Å; M306-N310 WeakPolarHBondContact O-CB 3.34Å; M306-N310 PolarHBondContact O-N 3.29Å; M306-N310 PolarHBondContact O-ND2 2.98Å
307	N	92.4	Very high	93.9	Very high	76 Å²	76	35.8 Å²	35.8	41%	0.406	19%	0.188	S	C	.	.	H	α-helix	trans	-65.1	-39.7	176.7	-73.8	-9.1	0	0	0	112.2	I165 K303 V304 A305 S311	I165-N307 HydrophobicContact CD1-CB 3.81Å; K303-N307 WeakPolarHBondContact O-CB 3.2Å; K303-N307 VanDerWaalsContact O-CG 3.25Å; K303-N307 PolarHBondContact O-N 3.43Å; V304-N307 PolarHBondContact O-N 2.97Å; A305-N307 PolarHBondContact O-N 3.06Å; N307-S311 WeakPolarHBondContact O-CB 3.37Å; N307-S311 PolarHBondContact O-N 2.98Å
308	I	94.4	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-56.2	174.7	-72.2	165.5	0	0	0	110	I158 K161 I165 F188 F236 V304 A305 N310 S311	I158-I308 HydrophobicContact CB-CG2 3.91Å; I158-I308 HydrophobicContact CG2-CG2 3.88Å; K161-I308 HydrophobicContact CB-CG1 4.22Å; K161-I308 HydrophobicContact CB-CG2 4.01Å; K161-I308 HydrophobicContact CG-CB 4.33Å; K161-I308 HydrophobicContact CG-CG1 4.05Å; K161-I308 HydrophobicContact CG-CG2 4.11Å; I165-I308 HydrophobicContact CD1-CG1 3.89Å; F188-I308 HydrophobicContact CD2-CG2 4.27Å; F188-I308 HydrophobicContact CE2-CB 4.38Å; F188-I308 HydrophobicContact CE2-CD1 3.96Å; F188-I308 HydrophobicContact CE2-CG2 3.86Å; F236-I308 HydrophobicContact CZ-CD1 4.08Å; V304-I308 HydrophobicContact CG1-CD1 3.77Å; V304-I308 HydrophobicContact CG1-CG1 4.4Å; V304-I308 VanDerWaalsContact O-CG1 3.29Å; V304-I308 WeakPolarHBondContact O-CG1 3.2Å; V304-I308 PolarHBondContact O-N 3.5Å; A305-I308 PolarHBondContact O-N 2.68Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-N310 PolarHBondContact O-N 2.93Å; I308-S311 PolarHBondContact O-N 2.95Å; I308-S311 VanDerWaalsContact O-N 3.1Å; I308-S311 PolarHBondContact O-OG 3.3Å
309	L	91.4	Very high	94	Very high	18 Å²	18	26.5 Å²	26.5	9%	0.094	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-42.2	-178.2	-65.9	171.4	0	0	0	111.7	I158 A305 M306 S311 G312 R313 E435	I158-L309 HydrophobicContact CG2-CD2 4.36Å; A305-L309 WeakPolarHBondContact O-CG 2.93Å; A305-L309 PolarHBondContact O-N 2.91Å; A305-L309 VanDerWaalsContact O-N 3.09Å; M306-L309 HydrophobicContact CE-CD1 3.79Å; M306-L309 PolarHBondContact O-N 3.5Å; L309-S311 VanDerWaalsContact C-N 3.27Å; L309-S311 PolarHBondContact O-N 3.07Å; L309-G312 PolarHBondContact O-N 3.19Å; L309-R313 WeakPolarHBondContact O-CD 3.48Å; L309-R313 VanDerWaalsContact O-CG 3.26Å; L309-R313 WeakPolarHBondContact O-CG 3.36Å; L309-R313 PolarHBondContact O-N 2.83Å; L309-E435 WeakPolarHBondContact CD2-OE2 3.44Å
310	N	89.3	Confident	94.1	Very high	24 Å²	24	25.8 Å²	25.8	13%	0.128	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-35.4	177.5	-73.5	-17.5	0	0	0	112.6	M306 I308 G312 R313	M306-N310 VanDerWaalsContact O-CB 3.31Å; M306-N310 WeakPolarHBondContact O-CB 3.34Å; M306-N310 PolarHBondContact O-N 3.29Å; M306-N310 PolarHBondContact O-ND2 2.98Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-N310 PolarHBondContact O-N 2.93Å; N310-G312 VanDerWaalsContact C-N 3.34Å; N310-G312 PolarHBondContact O-N 3.48Å; N310-R313 PolarHBondContact OD1-NH1 2.82Å
311	S	87.3	Confident	94.2	Very high	19 Å²	19	24.8 Å²	24.8	13%	0.133	13%	0.125	C	C	.	.	H	α-helix	trans	-71.4	-23.7	-177.1	75.9	0	0	0	0	114.4	K161 N307 I308 L309 F314	K161-S311 WeakPolarHBondContact CD-OG 3.37Å; K161-S311 WeakPolarHBondContact CG-OG 3.25Å; N307-S311 WeakPolarHBondContact O-CB 3.37Å; N307-S311 PolarHBondContact O-N 2.98Å; I308-S311 PolarHBondContact O-N 2.95Å; I308-S311 VanDerWaalsContact O-N 3.1Å; I308-S311 PolarHBondContact O-OG 3.3Å; L309-S311 VanDerWaalsContact C-N 3.27Å; L309-S311 PolarHBondContact O-N 3.07Å; S311-F314 WeakPolarHBondContact O-CD1 3.34Å; S311-F314 VanDerWaalsContact O-CE1 3.23Å; S311-F314 WeakPolarHBondContact O-CE1 3.46Å
312	G	82.1	Confident	94.3	Very high	7 Å²	7	25 Å²	25	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-96.6	-25.5	-176.1	0	0	0	0	0	114.9	L309 N310 F314 S315	L309-G312 PolarHBondContact O-N 3.19Å; N310-G312 VanDerWaalsContact C-N 3.34Å; N310-G312 PolarHBondContact O-N 3.48Å; G312-F314 VanDerWaalsContact C-N 3.3Å; G312-F314 PolarHBondContact O-N 3.24Å; G312-F314 VanDerWaalsContact O-N 3.15Å; G312-S315 PolarHBondContact O-N 3.35Å; G312-S315 VanDerWaalsContact O-N 3.13Å; G312-S315 PolarHBondContact O-OG 2.85Å
313	R	94.1	Very high	94.3	Very high	17 Å²	17	21.5 Å²	21.5	6%	0.064	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.2	-166.9	-82.6	167.9	-178.4	157.5	2	115.5	L309 N310 S315 M316 A388 K392 E435 L441	L309-R313 WeakPolarHBondContact O-CD 3.48Å; L309-R313 VanDerWaalsContact O-CG 3.26Å; L309-R313 WeakPolarHBondContact O-CG 3.36Å; L309-R313 PolarHBondContact O-N 2.83Å; N310-R313 PolarHBondContact OD1-NH1 2.82Å; R313-S315 PolarHBondContact O-N 3.09Å; R313-M316 VanDerWaalsContact O-CB 3.28Å; R313-M316 WeakPolarHBondContact O-CB 3.24Å; R313-M316 PolarHBondContact O-N 3.11Å; R313-A388 HydrophobicContact CB-CB 3.97Å; R313-K392 HydrophobicContact CB-CB 4.18Å; R313-K392 HydrophobicContact CG-CB 4.26Å; R313-K392 HydrophobicContact CG-CG 4.17Å; R313-E435 PolarHBondContact NE-O 3.01Å; R313-E435 PolarHBondContact NH2-O 3.3Å; R313-L441 VanDerWaalsContact CZ-CD2 3.44Å
314	F	94.5	Very high	94.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.2	179.1	78.4	-87.4	0	0	0	112.4	N132 Y135 A136 S311 G312 M316 G317 T372 A373 M376 A388 V391	N132-F314 HydrophobicContact CB-CE1 4.15Å; N132-F314 HydrophobicContact CB-CE2 4.01Å; N132-F314 HydrophobicContact CB-CZ 3.52Å; N132-F314 WeakPolarHBondContact O-CE2 3.41Å; N132-F314 WeakPolarHBondContact OD1-CE1 3.22Å; Y135-F314 HydrophobicContact CD1-CE2 4.5Å; Y135-F314 AromaticContact CD1-CZ 3.89Å; Y135-F314 HydrophobicContact CD1-CZ 3.89Å; A136-F314 HydrophobicContact CB-CE2 4.14Å; S311-F314 WeakPolarHBondContact O-CD1 3.34Å; S311-F314 VanDerWaalsContact O-CE1 3.23Å; S311-F314 WeakPolarHBondContact O-CE1 3.46Å; G312-F314 VanDerWaalsContact C-N 3.3Å; G312-F314 PolarHBondContact O-N 3.24Å; G312-F314 VanDerWaalsContact O-N 3.15Å; F314-M316 PolarHBondContact O-N 3.28Å; F314-M316 VanDerWaalsContact O-N 3.16Å; F314-G317 PolarHBondContact O-N 3.03Å; F314-G317 VanDerWaalsContact O-N 3.12Å; F314-T372 HydrophobicContact CB-CG2 3.68Å; F314-A373 HydrophobicContact CD2-CB 3.85Å; F314-A373 HydrophobicContact CE2-CB 3.76Å; F314-M376 HydrophobicContact CB-SD 4.35Å; F314-M376 HydrophobicContact CD1-CE 3.86Å; F314-M376 HydrophobicContact CD1-SD 3.5Å; F314-M376 VanDerWaalsContact CD1-SD 3.5Å; F314-M376 HydrophobicContact CE1-CE 3.92Å; F314-M376 HydrophobicContact CE1-SD 4.02Å; F314-M376 HydrophobicContact CG-SD 4.01Å; F314-A388 HydrophobicContact CB-CB 4.46Å; F314-V391 WeakPolarHBondContact O-CG1 3.31Å
315	S	94	Very high	94.6	Very high	13 Å²	13	17 Å²	17	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-15.3	-178.4	66.7	0	0	0	0	113.5	G312 R313 G317 S318 S319	G312-S315 PolarHBondContact O-N 3.35Å; G312-S315 VanDerWaalsContact O-N 3.13Å; G312-S315 PolarHBondContact O-OG 2.85Å; R313-S315 PolarHBondContact O-N 3.09Å; S315-G317 PolarHBondContact O-N 3.18Å; S315-S318 PolarHBondContact O-N 2.7Å; S315-S318 PolarHBondContact O-OG 3.49Å; S315-S319 WeakPolarHBondContact O-CB 3.06Å; S315-S319 PolarHBondContact O-N 3.24Å; S315-S319 PolarHBondContact O-OG 3.05Å
316	M	96.1	Very high	94.6	Very high	21 Å²	21	19.1 Å²	19.1	10%	0.103	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-35.6	172.3	-168.1	61.5	61.6	0	0	111.5	R313 F314 C320 K392 L431 F434	R313-M316 VanDerWaalsContact O-CB 3.28Å; R313-M316 WeakPolarHBondContact O-CB 3.24Å; R313-M316 PolarHBondContact O-N 3.11Å; F314-M316 PolarHBondContact O-N 3.28Å; F314-M316 VanDerWaalsContact O-N 3.16Å; M316-C320 WeakPolarHBondContact O-CB 3.44Å; M316-C320 PolarHBondContact O-N 3.3Å; M316-C320 PolarHBondContact O-SG 3.24Å; M316-K392 HydrophobicContact CG-CG 4.41Å; M316-L431 HydrophobicContact CE-CD2 4.29Å; M316-L431 HydrophobicContact SD-CB 4.33Å; M316-L431 HydrophobicContact SD-CD1 4.2Å; M316-L431 HydrophobicContact SD-CD2 3.86Å; M316-L431 HydrophobicContact SD-CG 4.35Å; M316-F434 HydrophobicContact CE-CE1 3.59Å; M316-F434 HydrophobicContact CE-CZ 4.08Å
317	G	98.1	Very high	94.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.8	-42.9	-179.8	0	0	0	0	0	113.1	F314 S315 A321 S395	F314-G317 PolarHBondContact O-N 3.03Å; F314-G317 VanDerWaalsContact O-N 3.12Å; S315-G317 PolarHBondContact O-N 3.18Å; G317-A321 VanDerWaalsContact O-CB 3.27Å; G317-A321 WeakPolarHBondContact O-CB 3.31Å; G317-A321 PolarHBondContact O-N 3.24Å; G317-S395 WeakPolarHBondContact CA-OG 3.36Å
318	S	97.9	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.4	-40	175.6	68.9	0	0	0	0	111.6	A136 E140 S315 C320 A321 G322	A136-S318 WeakPolarHBondContact CA-OG 3.37Å; A136-S318 WeakPolarHBondContact O-CB 3.46Å; A136-S318 PolarHBondContact O-OG 2.8Å; E140-S318 WeakPolarHBondContact CG-O 3.36Å; S315-S318 PolarHBondContact O-N 2.7Å; S315-S318 PolarHBondContact O-OG 3.49Å; S318-C320 PolarHBondContact O-N 3.04Å; S318-A321 PolarHBondContact O-N 3.1Å; S318-G322 PolarHBondContact O-N 3.45Å
319	S	98	Very high	95.1	Very high	20 Å²	20	20 Å²	20	14%	0.14	10%	0.103	C	C	.	.	H	α-helix	trans	-57.1	-50	174.5	-58	0	0	0	0	112.1	A143 S315 G322 M323	A143-S319 VanDerWaalsContact CB-O 3.29Å; A143-S319 WeakPolarHBondContact CB-O 3.36Å; S315-S319 WeakPolarHBondContact O-CB 3.06Å; S315-S319 PolarHBondContact O-N 3.24Å; S315-S319 PolarHBondContact O-OG 3.05Å; S319-G322 PolarHBondContact O-N 2.91Å; S319-M323 WeakPolarHBondContact O-CB 3.16Å; S319-M323 PolarHBondContact O-N 3.39Å; S319-M323 VanDerWaalsContact O-N 3.08Å
320	C	98.4	Very high	95.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-66.4	-41.1	178.7	-66.4	0	0	0	0	111.7	M316 S318 M323 I324 M365 S395	M316-C320 WeakPolarHBondContact O-CB 3.44Å; M316-C320 PolarHBondContact O-N 3.3Å; M316-C320 PolarHBondContact O-SG 3.24Å; S318-C320 PolarHBondContact O-N 3.04Å; C320-M323 PolarHBondContact O-N 3.45Å; C320-I324 WeakPolarHBondContact O-CD1 3.39Å; C320-I324 WeakPolarHBondContact O-CG1 3.5Å; C320-I324 PolarHBondContact O-N 2.9Å; C320-M365 HydrophobicContact CB-SD 3.76Å; C320-S395 PolarHBondContact SG-O 2.97Å
321	A	98.6	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-45.5	176.9	0	0	0	0	0	111.9	G317 S318 I324 K325 M365 E366	G317-A321 VanDerWaalsContact O-CB 3.27Å; G317-A321 WeakPolarHBondContact O-CB 3.31Å; G317-A321 PolarHBondContact O-N 3.24Å; S318-A321 PolarHBondContact O-N 3.1Å; A321-I324 PolarHBondContact O-N 2.89Å; A321-K325 WeakPolarHBondContact O-CB 3.38Å; A321-K325 VanDerWaalsContact O-CG 3.23Å; A321-K325 WeakPolarHBondContact O-CG 3.44Å; A321-K325 PolarHBondContact O-N 2.97Å; A321-M365 HydrophobicContact CB-CB 4.24Å; A321-E366 HydrophobicContact CB-CB 3.89Å
322	G	98.1	Very high	96.1	Very high	6 Å²	6	22.1 Å²	22.1	6%	0.062	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-47	176	0	0	0	0	0	112.7	E140 S318 S319 I324 K325 K326	E140-G322 WeakPolarHBondContact O-CA 3.26Å; S318-G322 PolarHBondContact O-N 3.45Å; S319-G322 PolarHBondContact O-N 2.91Å; G322-I324 PolarHBondContact O-N 2.99Å; G322-K325 PolarHBondContact O-N 2.98Å; G322-K326 PolarHBondContact O-N 3.44Å; G322-K326 VanDerWaalsContact O-N 3.11Å
323	M	97.5	Very high	96.7	Very high	13 Å²	13	28 Å²	28	6%	0.064	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-47.8	174.6	179.3	-178.3	64.5	0	0	112.2	S319 C320 K326 L327 C403 Y424 C428	S319-M323 WeakPolarHBondContact O-CB 3.16Å; S319-M323 PolarHBondContact O-N 3.39Å; S319-M323 VanDerWaalsContact O-N 3.08Å; C320-M323 PolarHBondContact O-N 3.45Å; M323-K326 PolarHBondContact O-N 2.99Å; M323-L327 HydrophobicContact CG-CD1 4.31Å; M323-L327 PolarHBondContact O-N 3.16Å; M323-C403 VanDerWaalsContact CE-SG 3.6Å; M323-Y424 HydrophobicContact CG-CD1 3.66Å; M323-Y424 HydrophobicContact CG-CE1 3.91Å; M323-Y424 HydrophobicContact SD-CD1 3.82Å; M323-Y424 HydrophobicContact SD-CE1 4.49Å; M323-C428 HydrophobicContact CE-CB 4.42Å
324	I	98.3	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-40.8	-179.1	-64.5	162.2	0	0	0	111.1	C320 A321 G322 K326 L327 M328 M358 A362 M365 C402	C320-I324 WeakPolarHBondContact O-CD1 3.39Å; C320-I324 WeakPolarHBondContact O-CG1 3.5Å; C320-I324 PolarHBondContact O-N 2.9Å; A321-I324 PolarHBondContact O-N 2.89Å; G322-I324 PolarHBondContact O-N 2.99Å; I324-K326 VanDerWaalsContact C-N 3.28Å; I324-K326 PolarHBondContact O-N 2.84Å; I324-L327 PolarHBondContact O-N 3.36Å; I324-M328 HydrophobicContact CG2-CE 4.19Å; I324-M328 HydrophobicContact CG2-CG 4.23Å; I324-M328 HydrophobicContact CG2-SD 4.39Å; I324-M328 WeakPolarHBondContact O-CG 3.38Å; I324-M328 PolarHBondContact O-N 2.94Å; I324-M358 HydrophobicContact CG2-CB 4.07Å; I324-A362 HydrophobicContact CB-CB 4.26Å; I324-A362 HydrophobicContact CG2-CB 3.95Å; I324-M365 HydrophobicContact CD1-CE 3.76Å; I324-M365 HydrophobicContact CD1-SD 3.51Å; I324-M365 VanDerWaalsContact CD1-SD 3.51Å; I324-C402 HydrophobicContact CD1-CB 3.78Å; I324-C402 HydrophobicContact CG1-CB 3.68Å; I324-C402 HydrophobicContact CG2-CB 4.01Å
325	K	98	Very high	97	Very high	70 Å²	70	29.6 Å²	29.6	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-56	-44.3	174.7	-72.7	169.1	-174.5	179.8	0	111.1	E140 A321 G322 M328 E329 A362 E366	E140-K325 IonicContact OE2-NZ 3.86Å; E140-K325 PolarHBondContact OE2-NZ 3.24Å; A321-K325 WeakPolarHBondContact O-CB 3.38Å; A321-K325 VanDerWaalsContact O-CG 3.23Å; A321-K325 WeakPolarHBondContact O-CG 3.44Å; A321-K325 PolarHBondContact O-N 2.97Å; G322-K325 PolarHBondContact O-N 2.98Å; K325-M328 HydrophobicContact CG-CE 4.27Å; K325-M328 PolarHBondContact O-N 3.32Å; K325-E329 PolarHBondContact O-N 2.85Å; K325-A362 HydrophobicContact CG-CB 4.47Å; K325-E366 VanDerWaalsContact NZ-CD 3.3Å; K325-E366 IonicContact NZ-OE1 3.25Å; K325-E366 PolarHBondContact NZ-OE1 2.94Å; K325-E366 IonicContact NZ-OE2 2.89Å
326	K	96.3	Very high	97.1	Very high	46 Å²	46	33.1 Å²	33.1	20%	0.2	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-41.2	176.7	-172.5	63.5	-176.8	174.6	0	112.6	L144 G322 M323 I324 E329 L330	L144-K326 HydrophobicContact CD2-CB 3.52Å; L144-K326 HydrophobicContact CD2-CG 3.86Å; G322-K326 PolarHBondContact O-N 3.44Å; G322-K326 VanDerWaalsContact O-N 3.11Å; M323-K326 PolarHBondContact O-N 2.99Å; I324-K326 VanDerWaalsContact C-N 3.28Å; I324-K326 PolarHBondContact O-N 2.84Å; K326-E329 VanDerWaalsContact CD-OE2 3.31Å; K326-E329 WeakPolarHBondContact CD-OE2 3.22Å; K326-E329 IonicContact NZ-OE1 3.63Å; K326-E329 PolarHBondContact NZ-OE1 3.5Å; K326-E329 IonicContact NZ-OE2 3.45Å; K326-E329 PolarHBondContact NZ-OE2 3Å; K326-E329 WeakPolarHBondContact O-CB 3.4Å; K326-E329 PolarHBondContact O-N 3.2Å; K326-L330 HydrophobicContact CG-CD1 4.13Å; K326-L330 WeakPolarHBondContact O-CG 3.34Å; K326-L330 PolarHBondContact O-N 2.86Å
327	L	96.2	Very high	97.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-41.7	175.8	-78.2	172.3	0	0	0	112.2	M323 I324 L330 T331 C403 A406 F421 Y424	M323-L327 HydrophobicContact CG-CD1 4.31Å; M323-L327 PolarHBondContact O-N 3.16Å; I324-L327 PolarHBondContact O-N 3.36Å; L327-L330 PolarHBondContact O-N 3.35Å; L327-T331 WeakPolarHBondContact O-CB 3.43Å; L327-T331 WeakPolarHBondContact O-CG2 3.49Å; L327-T331 PolarHBondContact O-N 2.75Å; L327-T331 PolarHBondContact O-OG1 3.39Å; L327-C403 HydrophobicContact CD1-CB 4.35Å; L327-C403 WeakPolarHBondContact CD1-SG 3.37Å; L327-A406 HydrophobicContact CB-CB 4.22Å; L327-A406 HydrophobicContact CD1-CB 4.42Å; L327-A406 HydrophobicContact CD2-CB 4.45Å; L327-F421 HydrophobicContact CD2-CD1 3.98Å; L327-Y424 HydrophobicContact CD1-CG 4.3Å; L327-Y424 HydrophobicContact CD2-CD2 3.66Å; L327-Y424 HydrophobicContact CD2-CE2 4.21Å; L327-Y424 HydrophobicContact CD2-CG 4.03Å; L327-Y424 HydrophobicContact CG-CD2 4.35Å; L327-Y424 HydrophobicContact CG-CG 4.36Å
328	M	97.4	Very high	97.1	Very high	34 Å²	34	40.8 Å²	40.8	17%	0.167	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-45.4	174.7	-73.9	-170.7	-63.1	0	0	111.4	I324 K325 T331 S332 M358 A359 A362	I324-M328 HydrophobicContact CG2-CE 4.19Å; I324-M328 HydrophobicContact CG2-CG 4.23Å; I324-M328 HydrophobicContact CG2-SD 4.39Å; I324-M328 WeakPolarHBondContact O-CG 3.38Å; I324-M328 PolarHBondContact O-N 2.94Å; K325-M328 HydrophobicContact CG-CE 4.27Å; K325-M328 PolarHBondContact O-N 3.32Å; M328-T331 PolarHBondContact O-N 3.38Å; M328-T331 PolarHBondContact O-OG1 3.39Å; M328-S332 WeakPolarHBondContact O-CB 3.35Å; M328-S332 PolarHBondContact O-N 3.28Å; M328-S332 PolarHBondContact O-OG 3.35Å; M328-M358 HydrophobicContact CG-CB 3.64Å; M328-M358 HydrophobicContact CG-CE 4.02Å; M328-M358 HydrophobicContact CG-CG 4.43Å; M328-M358 HydrophobicContact CG-SD 4Å; M328-M358 VanDerWaalsContact SD-C 3.58Å; M328-M358 HydrophobicContact SD-CB 3.56Å; M328-M358 VanDerWaalsContact SD-CB 3.56Å; M328-A359 HydrophobicContact SD-CB 4.06Å; M328-A359 PolarHBondContact SD-N 3.25Å; M328-A359 VanDerWaalsContact SD-N 3.41Å; M328-A362 HydrophobicContact CE-CB 4.02Å
329	E	95.4	Very high	97.1	Very high	109 Å²	109	47.6 Å²	47.6	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-54	-57.4	174.8	-174.7	-161.7	144.5	0	0	110.8	K325 K326 T331 S332 E333	K325-E329 PolarHBondContact O-N 2.85Å; K326-E329 VanDerWaalsContact CD-OE2 3.31Å; K326-E329 WeakPolarHBondContact CD-OE2 3.22Å; K326-E329 IonicContact NZ-OE1 3.63Å; K326-E329 PolarHBondContact NZ-OE1 3.5Å; K326-E329 IonicContact NZ-OE2 3.45Å; K326-E329 PolarHBondContact NZ-OE2 3Å; K326-E329 WeakPolarHBondContact O-CB 3.4Å; K326-E329 PolarHBondContact O-N 3.2Å; E329-T331 PolarHBondContact O-N 3.48Å; E329-S332 PolarHBondContact O-N 3.1Å; E329-S332 PolarHBondContact O-OG 3.26Å; E329-E333 PolarHBondContact O-N 2.99Å
330	L	93.9	Very high	97.1	Very high	57 Å²	57	51 Å²	51	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-39.8	-176.5	-65.9	171.2	0	0	0	113.3	K326 L327 P420 F421	K326-L330 HydrophobicContact CG-CD1 4.13Å; K326-L330 WeakPolarHBondContact O-CG 3.34Å; K326-L330 PolarHBondContact O-N 2.86Å; L327-L330 PolarHBondContact O-N 3.35Å; L330-P420 HydrophobicContact CD1-CG 4.44Å; L330-F421 HydrophobicContact CB-CE1 3.76Å; L330-F421 HydrophobicContact CB-CZ 4.16Å; L330-F421 HydrophobicContact CD1-CE1 4.29Å
331	T	96.9	Very high	97.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-80.6	-29.1	-177.6	55.2	0	0	0	0	113	L327 M328 E329 Y334 A335 A406 L410 F421	L327-T331 WeakPolarHBondContact O-CB 3.43Å; L327-T331 WeakPolarHBondContact O-CG2 3.49Å; L327-T331 PolarHBondContact O-N 2.75Å; L327-T331 PolarHBondContact O-OG1 3.39Å; M328-T331 PolarHBondContact O-N 3.38Å; M328-T331 PolarHBondContact O-OG1 3.39Å; E329-T331 PolarHBondContact O-N 3.48Å; T331-Y334 PolarHBondContact O-N 3.04Å; T331-A335 WeakPolarHBondContact O-CB 3.32Å; T331-A335 PolarHBondContact O-N 3.01Å; T331-A406 HydrophobicContact CG2-CB 3.94Å; T331-L410 HydrophobicContact CG2-CD1 3.91Å; T331-L410 HydrophobicContact CG2-CD2 4.27Å; T331-L410 HydrophobicContact CG2-CG 4.07Å; T331-F421 HydrophobicContact CG2-CD1 4.29Å; T331-F421 HydrophobicContact CG2-CE1 3.89Å
332	S	97.6	Very high	97	Very high	47 Å²	47	67.2 Å²	67.2	33%	0.329	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-40.9	176.5	67.7	0	0	0	0	111.9	M328 E329 Y334 A335 V336	M328-S332 WeakPolarHBondContact O-CB 3.35Å; M328-S332 PolarHBondContact O-N 3.28Å; M328-S332 PolarHBondContact O-OG 3.35Å; E329-S332 PolarHBondContact O-N 3.1Å; E329-S332 PolarHBondContact O-OG 3.26Å; S332-Y334 VanDerWaalsContact C-N 3.31Å; S332-Y334 PolarHBondContact O-N 3.24Å; S332-A335 PolarHBondContact O-N 3.05Å; S332-A335 VanDerWaalsContact O-N 3.13Å; S332-V336 WeakPolarHBondContact O-CG2 3.14Å; S332-V336 PolarHBondContact O-N 3.41Å
333	E	95.3	Very high	96.9	Very high	131 Å²	131	72.6 Å²	72.6	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-59.2	-43.5	174.7	-178	56.2	-142	0	0	111.4	E329 V336 S337	E329-E333 PolarHBondContact O-N 2.99Å; E333-V336 PolarHBondContact O-N 3.47Å; E333-S337 WeakPolarHBondContact O-CB 3.45Å; E333-S337 PolarHBondContact O-N 2.85Å; E333-S337 PolarHBondContact O-OG 3.17Å
334	Y	96.3	Very high	97	Very high	50 Å²	50	72.5 Å²	72.5	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-44.3	174.5	-176.6	-98.7	0	0	0	111.8	T331 S332 V336 S337 R338 L345 L410 L413	T331-Y334 PolarHBondContact O-N 3.04Å; S332-Y334 VanDerWaalsContact C-N 3.31Å; S332-Y334 PolarHBondContact O-N 3.24Å; Y334-V336 VanDerWaalsContact C-N 3.29Å; Y334-V336 PolarHBondContact O-N 3.31Å; Y334-S337 PolarHBondContact O-N 3.32Å; Y334-S337 PolarHBondContact O-OG 2.92Å; Y334-R338 HydrophobicContact CD1-CB 4.22Å; Y334-R338 HydrophobicContact CD2-CB 4.46Å; Y334-R338 HydrophobicContact CE1-CB 3.97Å; Y334-R338 HydrophobicContact CE1-CG 3.93Å; Y334-R338 HydrophobicContact CE2-CB 4.21Å; Y334-R338 HydrophobicContact CE2-CG 4.36Å; Y334-R338 HydrophobicContact CG-CB 4.48Å; Y334-R338 WeakPolarHBondContact O-CB 3.5Å; Y334-R338 PolarHBondContact O-N 3.11Å; Y334-L345 HydrophobicContact CD1-CD1 4.35Å; Y334-L345 HydrophobicContact CE1-CD1 3.97Å; Y334-L410 HydrophobicContact CD1-CD2 3.74Å; Y334-L410 HydrophobicContact CD2-CD2 4.26Å; Y334-L410 HydrophobicContact CE1-CD2 4.34Å; Y334-L410 HydrophobicContact CG-CD2 3.67Å; Y334-L413 HydrophobicContact CE2-CD1 4Å
335	A	97.9	Very high	97	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-37	-179.9	0	0	0	0	0	112.3	T331 S332 S344 L345 S346 I351 F355 V409	T331-A335 WeakPolarHBondContact O-CB 3.32Å; T331-A335 PolarHBondContact O-N 3.01Å; S332-A335 PolarHBondContact O-N 3.05Å; S332-A335 VanDerWaalsContact O-N 3.13Å; A335-S344 PolarHBondContact O-OG 2.89Å; A335-L345 HydrophobicContact CB-CB 4.41Å; A335-L345 WeakPolarHBondContact O-CA 3.45Å; A335-L345 WeakPolarHBondContact O-CB 3.46Å; A335-L345 PolarHBondContact O-N 2.82Å; A335-L345 VanDerWaalsContact O-N 3.12Å; A335-S346 PolarHBondContact O-N 2.98Å; A335-I351 HydrophobicContact CB-CG2 4.25Å; A335-F355 HydrophobicContact CB-CE2 3.56Å; A335-F355 HydrophobicContact CB-CZ 3.73Å; A335-V409 HydrophobicContact CB-CG1 4.06Å
336	V	97.7	Very high	97	Very high	87 Å²	87	72.2 Å²	72.2	53%	0.527	35%	0.353	S	S	.	.	H	α-helix	trans	-74.4	-39.8	179.1	172.2	0	0	0	0	111.6	S332 E333 Y334 S344	S332-V336 WeakPolarHBondContact O-CG2 3.14Å; S332-V336 PolarHBondContact O-N 3.41Å; E333-V336 PolarHBondContact O-N 3.47Å; Y334-V336 VanDerWaalsContact C-N 3.29Å; Y334-V336 PolarHBondContact O-N 3.31Å; V336-S344 VanDerWaalsContact C-OG 3.25Å; V336-S344 WeakPolarHBondContact CA-OG 3.29Å; V336-S344 PolarHBondContact O-OG 3.45Å
337	S	96.3	Very high	97.1	Very high	72 Å²	72	73.9 Å²	73.9	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-84.2	-32.2	-175.8	59.9	0	0	0	0	114	E333 Y334	E333-S337 WeakPolarHBondContact O-CB 3.45Å; E333-S337 PolarHBondContact O-N 2.85Å; E333-S337 PolarHBondContact O-OG 3.17Å; Y334-S337 PolarHBondContact O-N 3.32Å; Y334-S337 PolarHBondContact O-OG 2.92Å
338	R	97.5	Very high	97.2	Very high	111 Å²	111	76.1 Å²	76.1	42%	0.419	37%	0.371	S	S	.	.			trans	-75.6	130.2	-176.9	-179.8	63.1	-178.8	-178.4	0.1	111	Y334 S344 L345	Y334-R338 HydrophobicContact CD1-CB 4.22Å; Y334-R338 HydrophobicContact CD2-CB 4.46Å; Y334-R338 HydrophobicContact CE1-CB 3.97Å; Y334-R338 HydrophobicContact CE1-CG 3.93Å; Y334-R338 HydrophobicContact CE2-CB 4.21Å; Y334-R338 HydrophobicContact CE2-CG 4.36Å; Y334-R338 HydrophobicContact CG-CB 4.48Å; Y334-R338 WeakPolarHBondContact O-CB 3.5Å; Y334-R338 PolarHBondContact O-N 3.11Å; R338-S344 WeakPolarHBondContact O-CA 3.34Å; R338-L345 HydrophobicContact CB-CD1 3.84Å; R338-L345 HydrophobicContact CB-CG 3.98Å; R338-L345 HydrophobicContact CG-CD1 3.6Å; R338-L345 HydrophobicContact CG-CG 3.85Å; R338-L345 PolarHBondContact O-N 3.02Å
339	K	97.9	Very high	97.3	Very high	142 Å²	142	76.8 Å²	76.8	62%	0.617	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.8	175	-64	-174.3	178.8	-176	0	112.8	R343	K339-R343 WeakPolarHBondContact CA-O 3.05Å
340	Q	97.9	Very high	97.4	Very high	92 Å²	92	78.5 Å²	78.5	43%	0.43	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.6	163.8	-77.1	-62.9	-93.5	0	0	109	N342 R343 L345 F348	Q340-N342 PolarHBondContact O-N 2.89Å; Q340-N342 VanDerWaalsContact O-N 3.11Å; Q340-R343 PolarHBondContact N-O 3.01Å; Q340-R343 PolarHBondContact O-N 2.94Å; Q340-L345 HydrophobicContact CB-CD2 4.03Å; Q340-L345 HydrophobicContact CG-CD2 4.19Å; Q340-F348 WeakPolarHBondContact O-CZ 3.29Å
341	F	97.6	Very high	97.6	Very high	178 Å²	178	76.9 Å²	76.9	78%	0.781	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	40.5	-175.7	-50.4	-78.4	0	0	0	112.6	R343 F348	F341-R343 PolarHBondContact O-N 3.45Å; F341-R343 VanDerWaalsContact O-N 3.14Å; F341-F348 HydrophobicContact CB-CZ 4.23Å; F341-F348 HydrophobicContact CD2-CZ 4.25Å
342	N	96.6	Very high	97.7	Very high	163 Å²	163	81.8 Å²	81.8	87%	0.872	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	13.2	-178.7	-59.8	-34.5	0	0	0	116.8	Q340	Q340-N342 PolarHBondContact O-N 2.89Å; Q340-N342 VanDerWaalsContact O-N 3.11Å
343	R	97.4	Very high	97.8	Very high	119 Å²	119	86 Å²	86	45%	0.449	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.6	179.4	-63.2	176.8	67	-169.7	-0.1	110.7	K339 Q340 F341 E347 F348	K339-R343 WeakPolarHBondContact CA-O 3.05Å; Q340-R343 PolarHBondContact N-O 3.01Å; Q340-R343 PolarHBondContact O-N 2.94Å; F341-R343 PolarHBondContact O-N 3.45Å; F341-R343 VanDerWaalsContact O-N 3.14Å; R343-E347 IonicContact CZ-OE2 2.78Å; R343-E347 VanDerWaalsContact CZ-OE2 3.27Å; R343-E347 IonicContact NE-OE2 3.74Å; R343-E347 PolarHBondContact NE-OE2 3.11Å; R343-E347 IonicContact NH2-OE2 3.39Å; R343-E347 PolarHBondContact NH2-OE2 3.36Å; R343-F348 HydrophobicContact CB-CZ 3.98Å
344	S	98.2	Very high	97.9	Very high	11 Å²	11	81.7 Å²	81.7	8%	0.077	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148	172.9	178	0	0	0	0	110.4	A335 V336 R338 S346 E347	A335-S344 PolarHBondContact O-OG 2.89Å; V336-S344 VanDerWaalsContact C-OG 3.25Å; V336-S344 WeakPolarHBondContact CA-OG 3.29Å; V336-S344 PolarHBondContact O-OG 3.45Å; R338-S344 WeakPolarHBondContact O-CA 3.34Å; S344-S346 PolarHBondContact O-N 3.3Å; S344-S346 PolarHBondContact OG-OG 3.43Å; S344-S346 VanDerWaalsContact OG-OG 3.12Å; S344-E347 PolarHBondContact N-OE1 2.68Å; S344-E347 WeakPolarHBondContact O-CB 3.18Å; S344-E347 PolarHBondContact O-N 3.49Å; S344-E347 VanDerWaalsContact O-N 3.13Å
345	L	98.4	Very high	98	Very high	22 Å²	22	81.2 Å²	81.2	12%	0.115	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-60.2	-34	177.6	-65.2	-174.7	0	0	0	111.7	Y334 A335 R338 Q340 E347 F348 I351	Y334-L345 HydrophobicContact CD1-CD1 4.35Å; Y334-L345 HydrophobicContact CE1-CD1 3.97Å; A335-L345 HydrophobicContact CB-CB 4.41Å; A335-L345 WeakPolarHBondContact O-CA 3.45Å; A335-L345 WeakPolarHBondContact O-CB 3.46Å; A335-L345 PolarHBondContact O-N 2.82Å; A335-L345 VanDerWaalsContact O-N 3.12Å; R338-L345 HydrophobicContact CB-CD1 3.84Å; R338-L345 HydrophobicContact CB-CG 3.98Å; R338-L345 HydrophobicContact CG-CD1 3.6Å; R338-L345 HydrophobicContact CG-CG 3.85Å; R338-L345 PolarHBondContact O-N 3.02Å; Q340-L345 HydrophobicContact CB-CD2 4.03Å; Q340-L345 HydrophobicContact CG-CD2 4.19Å; L345-E347 PolarHBondContact O-N 3.18Å; L345-F348 HydrophobicContact CD2-CD2 4.2Å; L345-F348 HydrophobicContact CD2-CE2 4.07Å; L345-F348 WeakPolarHBondContact O-CD2 3.37Å; L345-F348 PolarHBondContact O-N 3.47Å; L345-F348 VanDerWaalsContact O-N 3.11Å; L345-I351 HydrophobicContact CB-CG1 4.35Å; L345-I351 VanDerWaalsContact O-CB 3.29Å; L345-I351 WeakPolarHBondContact O-CB 3.27Å; L345-I351 WeakPolarHBondContact O-CG1 3.48Å; L345-I351 WeakPolarHBondContact O-CG2 3.44Å
346	S	98.1	Very high	98.1	Very high	42 Å²	42	83.5 Å²	83.5	29%	0.294	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-62.1	-13.6	178.9	64.6	0	0	0	0	114.1	A335 S344 Q352	A335-S346 PolarHBondContact O-N 2.98Å; S344-S346 PolarHBondContact O-N 3.3Å; S344-S346 PolarHBondContact OG-OG 3.43Å; S344-S346 VanDerWaalsContact OG-OG 3.12Å; S346-Q352 WeakPolarHBondContact O-CG 3.2Å; S346-Q352 PolarHBondContact O-NE2 3.24Å
347	E	98.4	Very high	98.1	Very high	81 Å²	81	82.3 Å²	82.3	38%	0.379	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-87.7	-9.6	178.4	-61.7	177.7	-123	0	0	114	R343 S344 L345	R343-E347 IonicContact CZ-OE2 2.78Å; R343-E347 VanDerWaalsContact CZ-OE2 3.27Å; R343-E347 IonicContact NE-OE2 3.74Å; R343-E347 PolarHBondContact NE-OE2 3.11Å; R343-E347 IonicContact NH2-OE2 3.39Å; R343-E347 PolarHBondContact NH2-OE2 3.36Å; S344-E347 PolarHBondContact N-OE1 2.68Å; S344-E347 WeakPolarHBondContact O-CB 3.18Å; S344-E347 PolarHBondContact O-N 3.49Å; S344-E347 VanDerWaalsContact O-N 3.13Å; L345-E347 PolarHBondContact O-N 3.18Å
348	F	98.6	Very high	98.2	Very high	51 Å²	51	78.9 Å²	78.9	22%	0.224	39%	0.389	C	S	.	.	S	Bend	trans	-89.9	131.8	179.1	-59.5	-66.4	0	0	0	111.2	Q340 F341 R343 L345 M350 I351 Q352	Q340-F348 WeakPolarHBondContact O-CZ 3.29Å; F341-F348 HydrophobicContact CB-CZ 4.23Å; F341-F348 HydrophobicContact CD2-CZ 4.25Å; R343-F348 HydrophobicContact CB-CZ 3.98Å; L345-F348 HydrophobicContact CD2-CD2 4.2Å; L345-F348 HydrophobicContact CD2-CE2 4.07Å; L345-F348 WeakPolarHBondContact O-CD2 3.37Å; L345-F348 PolarHBondContact O-N 3.47Å; L345-F348 VanDerWaalsContact O-N 3.11Å; F348-M350 VanDerWaalsContact C-N 3.29Å; F348-M350 PolarHBondContact O-N 3.32Å; F348-I351 HydrophobicContact CB-CG1 4.21Å; F348-I351 WeakPolarHBondContact O-CB 3.37Å; F348-I351 PolarHBondContact O-N 2.92Å; F348-Q352 PolarHBondContact O-N 3.38Å
349	G	98.5	Very high	98.3	Very high	48 Å²	48	74.8 Å²	74.8	50%	0.495	38%	0.378	S	S	.	.	H	α-helix	trans	-55.5	-39.4	-179	0	0	0	0	0	114	I351 Q352 E353	G349-I351 PolarHBondContact O-N 3.08Å; G349-Q352 PolarHBondContact O-N 3.33Å; G349-E353 WeakPolarHBondContact O-CB 3.42Å; G349-E353 PolarHBondContact O-N 3.08Å
350	M	98.3	Very high	98.3	Very high	144 Å²	144	69.1 Å²	69.1	71%	0.709	36%	0.355	S	S	*	.	H	α-helix	trans	-67.1	-21.3	177.1	-69	-171.7	-69.8	0	0	113.9	F348 K354	F348-M350 VanDerWaalsContact C-N 3.29Å; F348-M350 PolarHBondContact O-N 3.32Å; M350-K354 WeakPolarHBondContact O-CG 3.41Å
351	I	98.7	Very high	98.4	Very high	23 Å²	23	65.9 Å²	65.9	12%	0.118	34%	0.34	C	S	.	.	H	α-helix	trans	-83.8	-42.2	172.3	-62.4	-58.3	0	0	0	109.7	A335 L345 F348 G349 E353 K354 F355	A335-I351 HydrophobicContact CB-CG2 4.25Å; L345-I351 HydrophobicContact CB-CG1 4.35Å; L345-I351 VanDerWaalsContact O-CB 3.29Å; L345-I351 WeakPolarHBondContact O-CB 3.27Å; L345-I351 WeakPolarHBondContact O-CG1 3.48Å; L345-I351 WeakPolarHBondContact O-CG2 3.44Å; F348-I351 HydrophobicContact CB-CG1 4.21Å; F348-I351 WeakPolarHBondContact O-CB 3.37Å; F348-I351 PolarHBondContact O-N 2.92Å; G349-I351 PolarHBondContact O-N 3.08Å; I351-E353 VanDerWaalsContact C-N 3.28Å; I351-E353 PolarHBondContact O-N 3.38Å; I351-K354 WeakPolarHBondContact O-CB 3.23Å; I351-K354 PolarHBondContact O-N 3.46Å; I351-K354 VanDerWaalsContact O-N 3.12Å; I351-F355 HydrophobicContact CG2-CD2 3.93Å; I351-F355 HydrophobicContact CG2-CE2 3.67Å; I351-F355 WeakPolarHBondContact O-CD2 3.39Å; I351-F355 PolarHBondContact O-N 3Å
352	Q	98.7	Very high	98.4	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-40.9	175.7	-66	168.8	-8.5	0	0	111.8	S346 F348 G349 K354 F355 A356	S346-Q352 WeakPolarHBondContact O-CG 3.2Å; S346-Q352 PolarHBondContact O-NE2 3.24Å; F348-Q352 PolarHBondContact O-N 3.38Å; G349-Q352 PolarHBondContact O-N 3.33Å; Q352-K354 VanDerWaalsContact C-N 3.32Å; Q352-K354 PolarHBondContact O-N 2.82Å; Q352-F355 PolarHBondContact O-N 2.87Å; Q352-A356 WeakPolarHBondContact O-CB 3.41Å; Q352-A356 PolarHBondContact O-N 3.47Å
353	E	98.6	Very high	98.6	Very high	135 Å²	135	50.4 Å²	50.4	63%	0.631	27%	0.266	S	S	*	.	H	α-helix	trans	-57.3	-41.9	174.9	-176.5	178.8	-158.9	0	0	112.3	G349 I351 A356 L357	G349-E353 WeakPolarHBondContact O-CB 3.42Å; G349-E353 PolarHBondContact O-N 3.08Å; I351-E353 VanDerWaalsContact C-N 3.28Å; I351-E353 PolarHBondContact O-N 3.38Å; E353-A356 PolarHBondContact O-N 3.15Å; E353-L357 VanDerWaalsContact O-CB 3.32Å; E353-L357 WeakPolarHBondContact O-CB 3.3Å; E353-L357 PolarHBondContact O-N 2.96Å
354	K	98.7	Very high	98.6	Very high	41 Å²	41	44.7 Å²	44.7	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-42.6	178.3	-64.6	176.6	-170	-55.3	0	111.8	M350 I351 Q352 L357 M358 E405 V409	M350-K354 WeakPolarHBondContact O-CG 3.41Å; I351-K354 WeakPolarHBondContact O-CB 3.23Å; I351-K354 PolarHBondContact O-N 3.46Å; I351-K354 VanDerWaalsContact O-N 3.12Å; Q352-K354 VanDerWaalsContact C-N 3.32Å; Q352-K354 PolarHBondContact O-N 2.82Å; K354-L357 PolarHBondContact O-N 2.78Å; K354-M358 WeakPolarHBondContact O-CG 3.45Å; K354-M358 PolarHBondContact O-N 2.83Å; K354-E405 VanDerWaalsContact CD-OE2 3.3Å; K354-E405 WeakPolarHBondContact CD-OE2 3.35Å; K354-E405 WeakPolarHBondContact CE-OE2 3.4Å; K354-E405 WeakPolarHBondContact CG-OE2 3.36Å; K354-E405 IonicContact NZ-OE1 3.2Å; K354-E405 IonicContact NZ-OE2 2.76Å; K354-E405 PolarHBondContact NZ-OE2 2.82Å; K354-V409 HydrophobicContact CB-CG2 4.17Å; K354-V409 HydrophobicContact CD-CG2 3.78Å
355	F	98.7	Very high	98.7	Very high	40 Å²	40	44.2 Å²	44.2	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-39.9	175.3	-76.6	-73.5	0	0	0	112.2	A335 I351 Q352 M358 A359 V409	A335-F355 HydrophobicContact CB-CE2 3.56Å; A335-F355 HydrophobicContact CB-CZ 3.73Å; I351-F355 HydrophobicContact CG2-CD2 3.93Å; I351-F355 HydrophobicContact CG2-CE2 3.67Å; I351-F355 WeakPolarHBondContact O-CD2 3.39Å; I351-F355 PolarHBondContact O-N 3Å; Q352-F355 PolarHBondContact O-N 2.87Å; F355-M358 HydrophobicContact CD1-CE 3.54Å; F355-M358 HydrophobicContact CE1-CE 3.75Å; F355-M358 HydrophobicContact CG-CE 4.12Å; F355-M358 HydrophobicContact CZ-CE 4.48Å; F355-M358 PolarHBondContact O-N 3.44Å; F355-A359 VanDerWaalsContact O-CB 3.3Å; F355-A359 WeakPolarHBondContact O-CB 3.3Å; F355-A359 PolarHBondContact O-N 3.32Å; F355-V409 HydrophobicContact CE2-CG1 4.23Å; F355-V409 HydrophobicContact CE2-CG2 4.38Å; F355-V409 HydrophobicContact CZ-CG1 4.17Å
356	A	98.8	Very high	98.7	Very high	47 Å²	47	44.3 Å²	44.3	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-45.2	174.4	0	0	0	0	0	111.4	Q352 E353 M358 A359 I360	Q352-A356 WeakPolarHBondContact O-CB 3.41Å; Q352-A356 PolarHBondContact O-N 3.47Å; E353-A356 PolarHBondContact O-N 3.15Å; A356-M358 PolarHBondContact O-N 3.35Å; A356-A359 PolarHBondContact O-N 3.2Å; A356-I360 WeakPolarHBondContact O-CB 3.36Å; A356-I360 VanDerWaalsContact O-CG1 3.24Å; A356-I360 WeakPolarHBondContact O-CG1 3.41Å; A356-I360 PolarHBondContact O-N 3.42Å
357	L	98.7	Very high	98.7	Very high	63 Å²	63	42.3 Å²	42.3	33%	0.33	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-47.4	175.9	-179.7	110.8	0	0	0	111.9	E353 K354 N361 I401 E405	E353-L357 VanDerWaalsContact O-CB 3.32Å; E353-L357 WeakPolarHBondContact O-CB 3.3Å; E353-L357 PolarHBondContact O-N 2.96Å; K354-L357 PolarHBondContact O-N 2.78Å; L357-N361 WeakPolarHBondContact O-CB 3.14Å; L357-N361 PolarHBondContact O-N 2.99Å; L357-N361 PolarHBondContact O-ND2 3.33Å; L357-I401 HydrophobicContact CD2-CG2 3.76Å; L357-E405 HydrophobicContact CD2-CB 4.42Å; L357-E405 HydrophobicContact CD2-CG 3.81Å
358	M	98.8	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-43.2	177.3	-70.4	-172	-69.3	0	0	112.1	I324 M328 K354 F355 A356 N361 A362 C402 A406	I324-M358 HydrophobicContact CG2-CB 4.07Å; M328-M358 HydrophobicContact CG-CB 3.64Å; M328-M358 HydrophobicContact CG-CE 4.02Å; M328-M358 HydrophobicContact CG-CG 4.43Å; M328-M358 HydrophobicContact CG-SD 4Å; M328-M358 VanDerWaalsContact SD-C 3.58Å; M328-M358 HydrophobicContact SD-CB 3.56Å; M328-M358 VanDerWaalsContact SD-CB 3.56Å; K354-M358 WeakPolarHBondContact O-CG 3.45Å; K354-M358 PolarHBondContact O-N 2.83Å; F355-M358 HydrophobicContact CD1-CE 3.54Å; F355-M358 HydrophobicContact CE1-CE 3.75Å; F355-M358 HydrophobicContact CG-CE 4.12Å; F355-M358 HydrophobicContact CZ-CE 4.48Å; F355-M358 PolarHBondContact O-N 3.44Å; A356-M358 PolarHBondContact O-N 3.35Å; M358-N361 PolarHBondContact O-N 3.12Å; M358-A362 WeakPolarHBondContact O-CB 3.28Å; M358-A362 PolarHBondContact O-N 3.16Å; M358-C402 HydrophobicContact CG-CB 3.98Å; M358-A406 HydrophobicContact SD-CB 3.88Å
359	A	98.8	Very high	98.7	Very high	24 Å²	24	36 Å²	36	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-45.2	179.9	0	0	0	0	0	111.9	M328 F355 A356 A362 F363 L576	M328-A359 HydrophobicContact SD-CB 4.06Å; M328-A359 PolarHBondContact SD-N 3.25Å; M328-A359 VanDerWaalsContact SD-N 3.41Å; F355-A359 VanDerWaalsContact O-CB 3.3Å; F355-A359 WeakPolarHBondContact O-CB 3.3Å; F355-A359 PolarHBondContact O-N 3.32Å; A356-A359 PolarHBondContact O-N 3.2Å; A359-A362 PolarHBondContact O-N 3.15Å; A359-F363 WeakPolarHBondContact O-CB 3.22Å; A359-F363 PolarHBondContact O-N 2.59Å; A359-L576 HydrophobicContact CB-CD2 4.23Å
360	I	98.9	Very high	98.7	Very high	24 Å²	24	35.4 Å²	35.4	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-47.7	176	-70.5	166.3	0	0	0	110.3	A356 F363 V364 L576 T579 F580	A356-I360 WeakPolarHBondContact O-CB 3.36Å; A356-I360 VanDerWaalsContact O-CG1 3.24Å; A356-I360 WeakPolarHBondContact O-CG1 3.41Å; A356-I360 PolarHBondContact O-N 3.42Å; I360-F363 PolarHBondContact O-N 3.08Å; I360-V364 HydrophobicContact CG2-CG2 4.16Å; I360-V364 WeakPolarHBondContact O-CG2 3.45Å; I360-V364 PolarHBondContact O-N 3.4Å; I360-L576 HydrophobicContact CG1-CD2 3.58Å; I360-T579 HydrophobicContact CD1-CG2 3.64Å; I360-F580 HydrophobicContact CG2-CB 3.9Å; I360-F580 HydrophobicContact CG2-CD2 3.89Å; I360-F580 HydrophobicContact CG2-CG 4.32Å
361	N	98.8	Very high	98.7	Very high	24 Å²	24	28.6 Å²	28.6	13%	0.128	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-46.9	180	-88.2	-86.4	0	0	0	111.9	L357 M358 F363 V364 M365 C402	L357-N361 WeakPolarHBondContact O-CB 3.14Å; L357-N361 PolarHBondContact O-N 2.99Å; L357-N361 PolarHBondContact O-ND2 3.33Å; M358-N361 PolarHBondContact O-N 3.12Å; N361-F363 VanDerWaalsContact C-N 3.32Å; N361-F363 PolarHBondContact O-N 2.84Å; N361-V364 PolarHBondContact O-N 2.69Å; N361-M365 HydrophobicContact CB-CE 3.8Å; N361-M365 WeakPolarHBondContact O-CB 3.46Å; N361-M365 WeakPolarHBondContact O-CG 3.48Å; N361-M365 PolarHBondContact O-N 3.13Å; N361-C402 VanDerWaalsContact CB-SG 3.5Å
362	A	98.8	Very high	98.7	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-44.1	176.9	0	0	0	0	0	111.6	I324 K325 M328 M358 A359 E366	I324-A362 HydrophobicContact CB-CB 4.26Å; I324-A362 HydrophobicContact CG2-CB 3.95Å; K325-A362 HydrophobicContact CG-CB 4.47Å; M328-A362 HydrophobicContact CE-CB 4.02Å; M358-A362 WeakPolarHBondContact O-CB 3.28Å; M358-A362 PolarHBondContact O-N 3.16Å; A359-A362 PolarHBondContact O-N 3.15Å; A362-E366 VanDerWaalsContact O-CB 3.23Å; A362-E366 WeakPolarHBondContact O-CB 3.49Å; A362-E366 PolarHBondContact O-N 2.92Å
363	F	98.9	Very high	98.6	Very high	11 Å²	11	22.5 Å²	22.5	5%	0.048	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-45.5	177.5	-178.8	-109.6	0	0	0	112.2	A359 I360 N361 S367 V555 R558 A559 E573 L576 A577	A359-F363 WeakPolarHBondContact O-CB 3.22Å; A359-F363 PolarHBondContact O-N 2.59Å; I360-F363 PolarHBondContact O-N 3.08Å; N361-F363 VanDerWaalsContact C-N 3.32Å; N361-F363 PolarHBondContact O-N 2.84Å; F363-S367 VanDerWaalsContact O-CB 3.3Å; F363-S367 WeakPolarHBondContact O-CB 3.41Å; F363-S367 PolarHBondContact O-N 3.23Å; F363-S367 PolarHBondContact O-OG 3.05Å; F363-V555 HydrophobicContact CD1-CB 4.35Å; F363-V555 HydrophobicContact CD1-CG1 3.79Å; F363-V555 HydrophobicContact CE1-CB 3.79Å; F363-V555 HydrophobicContact CE1-CG1 3.73Å; F363-R558 HydrophobicContact CE2-CG 4.38Å; F363-R558 VanDerWaalsContact CE2-CZ 3.47Å; F363-R558 VanDerWaalsContact CE2-NE 3.31Å; F363-R558 HydrophobicContact CZ-CG 4.36Å; F363-R558 PolarHBondContact O-NH1 3.11Å; F363-A559 HydrophobicContact CZ-CB 4.42Å; F363-E573 HydrophobicContact CE2-CB 3.97Å; F363-E573 HydrophobicContact CE2-CG 3.69Å; F363-E573 WeakPolarHBondContact CE2-OE2 3.36Å; F363-E573 HydrophobicContact CZ-CB 3.9Å; F363-E573 HydrophobicContact CZ-CG 4.16Å; F363-L576 HydrophobicContact CB-CD1 4.02Å; F363-L576 HydrophobicContact CD1-CB 3.87Å; F363-L576 HydrophobicContact CD1-CD1 4.41Å; F363-L576 HydrophobicContact CD2-CD1 4.22Å; F363-L576 HydrophobicContact CE1-CB 4.21Å; F363-L576 HydrophobicContact CG-CB 4.29Å; F363-L576 HydrophobicContact CG-CD1 3.98Å; F363-A577 HydrophobicContact CE1-CB 4.21Å
364	V	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.6	-47.5	-179.7	178.8	0	0	0	0	111.2	I360 N361 E366 S367 M368 F394 A551 V555 F580	I360-V364 HydrophobicContact CG2-CG2 4.16Å; I360-V364 WeakPolarHBondContact O-CG2 3.45Å; I360-V364 PolarHBondContact O-N 3.4Å; N361-V364 PolarHBondContact O-N 2.69Å; V364-E366 VanDerWaalsContact C-N 3.35Å; V364-E366 PolarHBondContact O-N 2.68Å; V364-S367 PolarHBondContact O-N 2.95Å; V364-S367 VanDerWaalsContact O-N 3.16Å; V364-M368 HydrophobicContact CG1-CG 4.27Å; V364-M368 HydrophobicContact CG1-SD 3.84Å; V364-M368 VanDerWaalsContact O-CG 3.31Å; V364-M368 WeakPolarHBondContact O-CG 3.29Å; V364-M368 PolarHBondContact O-N 2.81Å; V364-F394 HydrophobicContact CB-CE1 3.79Å; V364-F394 HydrophobicContact CB-CZ 3.92Å; V364-F394 HydrophobicContact CG1-CD1 4.18Å; V364-F394 HydrophobicContact CG1-CE1 3.37Å; V364-F394 HydrophobicContact CG1-CE2 4.17Å; V364-F394 HydrophobicContact CG1-CZ 3.36Å; V364-A551 HydrophobicContact CG1-CB 3.7Å; V364-V555 HydrophobicContact CB-CG1 4.13Å; V364-V555 HydrophobicContact CG1-CG1 4.31Å; V364-V555 HydrophobicContact CG2-CG1 3.62Å; V364-F580 HydrophobicContact CG1-CE1 4.31Å; V364-F580 HydrophobicContact CG1-CE2 4.18Å; V364-F580 HydrophobicContact CG1-CZ 4Å; V364-F580 HydrophobicContact CG2-CB 4.21Å; V364-F580 HydrophobicContact CG2-CD1 4.01Å; V364-F580 HydrophobicContact CG2-CD2 3.53Å; V364-F580 HydrophobicContact CG2-CE1 4.3Å; V364-F580 HydrophobicContact CG2-CE2 3.85Å; V364-F580 HydrophobicContact CG2-CG 3.61Å; V364-F580 HydrophobicContact CG2-CZ 4.23Å
365	M	98.8	Very high	98.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-46.3	178.9	-69.3	170.7	-164	0	0	112	C320 A321 I324 N361 S367 M368 A369 F394 G399	C320-M365 HydrophobicContact CB-SD 3.76Å; A321-M365 HydrophobicContact CB-CB 4.24Å; I324-M365 HydrophobicContact CD1-CE 3.76Å; I324-M365 HydrophobicContact CD1-SD 3.51Å; I324-M365 VanDerWaalsContact CD1-SD 3.51Å; N361-M365 HydrophobicContact CB-CE 3.8Å; N361-M365 WeakPolarHBondContact O-CB 3.46Å; N361-M365 WeakPolarHBondContact O-CG 3.48Å; N361-M365 PolarHBondContact O-N 3.13Å; M365-S367 VanDerWaalsContact C-N 3.35Å; M365-M368 PolarHBondContact O-N 3Å; M365-A369 VanDerWaalsContact O-CB 3.29Å; M365-A369 WeakPolarHBondContact O-CB 3.42Å; M365-A369 PolarHBondContact O-N 3.39Å; M365-F394 HydrophobicContact CE-CE1 4.49Å; M365-F394 HydrophobicContact CG-CD1 3.89Å; M365-F394 HydrophobicContact CG-CE1 3.93Å; M365-G399 VanDerWaalsContact CE-N 3.33Å
366	E	98.7	Very high	97.9	Very high	24 Å²	24	14.3 Å²	14.3	11%	0.112	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-44.6	176.2	-175.9	-178.7	-138.9	0	0	110.7	A321 K325 A362 V364 M368 A369 Y370 R558	A321-E366 HydrophobicContact CB-CB 3.89Å; K325-E366 VanDerWaalsContact NZ-CD 3.3Å; K325-E366 IonicContact NZ-OE1 3.25Å; K325-E366 PolarHBondContact NZ-OE1 2.94Å; K325-E366 IonicContact NZ-OE2 2.89Å; A362-E366 VanDerWaalsContact O-CB 3.23Å; A362-E366 WeakPolarHBondContact O-CB 3.49Å; A362-E366 PolarHBondContact O-N 2.92Å; V364-E366 VanDerWaalsContact C-N 3.35Å; V364-E366 PolarHBondContact O-N 2.68Å; E366-M368 PolarHBondContact O-N 3.44Å; E366-A369 PolarHBondContact O-N 3.06Å; E366-Y370 HydrophobicContact CG-CD2 3.75Å; E366-Y370 HydrophobicContact CG-CE2 3.89Å; E366-Y370 WeakPolarHBondContact O-CB 3.18Å; E366-Y370 WeakPolarHBondContact O-CD2 3.27Å; E366-Y370 PolarHBondContact O-N 3.25Å; E366-R558 IonicContact OE2-CZ 2.84Å; E366-R558 IonicContact OE2-NH1 2.83Å; E366-R558 PolarHBondContact OE2-NH1 2.94Å; E366-R558 IonicContact OE2-NH2 2.69Å; E366-R558 PolarHBondContact OE2-NH2 2.94Å
367	S	98.9	Very high	97.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-43.1	179	-55.6	0	0	0	0	112.2	Y66 F363 V364 M365 L371 R558	Y66-S367 WeakPolarHBondContact OH-CA 3.36Å; Y66-S367 PolarHBondContact OH-O 2.89Å; F363-S367 VanDerWaalsContact O-CB 3.3Å; F363-S367 WeakPolarHBondContact O-CB 3.41Å; F363-S367 PolarHBondContact O-N 3.23Å; F363-S367 PolarHBondContact O-OG 3.05Å; V364-S367 PolarHBondContact O-N 2.95Å; V364-S367 VanDerWaalsContact O-N 3.16Å; M365-S367 VanDerWaalsContact C-N 3.35Å; S367-L371 WeakPolarHBondContact O-CB 3.22Å; S367-L371 PolarHBondContact O-N 3.2Å; S367-R558 WeakPolarHBondContact OG-CD 3.18Å; S367-R558 PolarHBondContact OG-NH1 3.21Å
368	M	98.9	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.7	-41.5	178.3	-64.1	170.7	76.6	0	0	111.5	V364 M365 E366 T372 M390 V391 F394 Y550 A551 A554	V364-M368 HydrophobicContact CG1-CG 4.27Å; V364-M368 HydrophobicContact CG1-SD 3.84Å; V364-M368 VanDerWaalsContact O-CG 3.31Å; V364-M368 WeakPolarHBondContact O-CG 3.29Å; V364-M368 PolarHBondContact O-N 2.81Å; M365-M368 PolarHBondContact O-N 3Å; E366-M368 PolarHBondContact O-N 3.44Å; M368-T372 WeakPolarHBondContact O-CB 3.33Å; M368-T372 PolarHBondContact O-N 3.41Å; M368-T372 PolarHBondContact O-OG1 3.34Å; M368-M390 HydrophobicContact CE-CB 4.33Å; M368-V391 HydrophobicContact CB-CG2 3.82Å; M368-F394 HydrophobicContact CE-CB 4Å; M368-F394 HydrophobicContact CE-CG 4.25Å; M368-F394 HydrophobicContact SD-CB 4.09Å; M368-F394 HydrophobicContact SD-CD1 3.73Å; M368-F394 HydrophobicContact SD-CD2 4.35Å; M368-F394 HydrophobicContact SD-CE1 4.29Å; M368-F394 HydrophobicContact SD-CG 3.78Å; M368-Y550 HydrophobicContact CB-CE1 4.2Å; M368-Y550 HydrophobicContact CE-CD1 3.55Å; M368-Y550 HydrophobicContact CE-CE1 4.15Å; M368-Y550 HydrophobicContact CG-CD1 4.42Å; M368-Y550 HydrophobicContact CG-CE1 4.42Å; M368-A551 HydrophobicContact CE-CB 4.17Å; M368-A551 HydrophobicContact CG-CB 4.31Å; M368-A551 HydrophobicContact SD-CB 3.65Å; M368-A554 HydrophobicContact CB-CB 4.41Å; M368-A554 HydrophobicContact CG-CB 3.83Å
369	A	98.6	Very high	96.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-49.7	-179.7	0	0	0	0	0	111.8	M365 E366 T372 A373 V391	M365-A369 VanDerWaalsContact O-CB 3.29Å; M365-A369 WeakPolarHBondContact O-CB 3.42Å; M365-A369 PolarHBondContact O-N 3.39Å; E366-A369 PolarHBondContact O-N 3.06Å; A369-T372 PolarHBondContact O-N 3.46Å; A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.05Å; A369-V391 HydrophobicContact CB-CG1 4.42Å
370	Y	98.4	Very high	95.6	Very high	36 Å²	36	20.4 Å²	20.4	14%	0.141	12%	0.119	C	C	.	.	H	α-helix	trans	-74.8	-32.1	-178	-84.2	-91.6	0	0	0	112.8	Y66 T133 A136 R137 E140 E366 A373 G374	Y66-Y370 WeakPolarHBondContact OH-CB 3.34Å; T133-Y370 HydrophobicContact CG2-CD1 3.87Å; T133-Y370 HydrophobicContact CG2-CE1 3.96Å; A136-Y370 HydrophobicContact CB-CE1 4.26Å; A136-Y370 HydrophobicContact CB-CE2 4.37Å; R137-Y370 WeakPolarHBondContact CA-OH 3.41Å; R137-Y370 WeakPolarHBondContact CB-OH 3.27Å; R137-Y370 VanDerWaalsContact CD-OH 3.25Å; R137-Y370 WeakPolarHBondContact CD-OH 3.39Å; R137-Y370 PolarHBondContact N-OH 2.89Å; E140-Y370 VanDerWaalsContact OE1-CE2 3.32Å; E140-Y370 WeakPolarHBondContact OE1-CE2 3.48Å; E140-Y370 PolarHBondContact OE1-OH 2.97Å; E366-Y370 HydrophobicContact CG-CD2 3.75Å; E366-Y370 HydrophobicContact CG-CE2 3.89Å; E366-Y370 WeakPolarHBondContact O-CB 3.18Å; E366-Y370 WeakPolarHBondContact O-CD2 3.27Å; E366-Y370 PolarHBondContact O-N 3.25Å; Y370-A373 PolarHBondContact O-N 3.4Å; Y370-G374 PolarHBondContact O-N 2.83Å
371	L	98.2	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-47.6	169.1	179.6	59.6	0	0	0	110.7	V63 Y66 P67 S367 G374 M375 Y550 A554	V63-L371 HydrophobicContact CB-CD1 4.24Å; V63-L371 HydrophobicContact CB-CD2 4.3Å; V63-L371 HydrophobicContact CG1-CD1 4.27Å; V63-L371 HydrophobicContact CG1-CD2 4.09Å; Y66-L371 HydrophobicContact CD2-CD1 4.47Å; Y66-L371 HydrophobicContact CE2-CB 3.85Å; Y66-L371 PolarHBondContact OH-N 3.29Å; P67-L371 VanDerWaalsContact CD-CD1 3.48Å; P67-L371 HydrophobicContact CG-CD1 3.79Å; S367-L371 WeakPolarHBondContact O-CB 3.22Å; S367-L371 PolarHBondContact O-N 3.2Å; L371-G374 PolarHBondContact O-N 3.33Å; L371-M375 HydrophobicContact CG-SD 4.28Å; L371-M375 VanDerWaalsContact O-CG 3.26Å; L371-M375 WeakPolarHBondContact O-CG 3.47Å; L371-M375 PolarHBondContact O-N 3.45Å; L371-Y550 HydrophobicContact CD2-CE2 3.88Å; L371-A554 HydrophobicContact CD2-CB 3.87Å
372	T	97.6	Very high	93.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-44.4	178.3	-54.8	0	0	0	0	111.2	F314 M368 A369 G374 M375 M376 C384 E387 A388 V391 Y550	F314-T372 HydrophobicContact CB-CG2 3.68Å; M368-T372 WeakPolarHBondContact O-CB 3.33Å; M368-T372 PolarHBondContact O-N 3.41Å; M368-T372 PolarHBondContact O-OG1 3.34Å; A369-T372 PolarHBondContact O-N 3.46Å; T372-G374 PolarHBondContact O-N 3.14Å; T372-M375 WeakPolarHBondContact O-CB 3.36Å; T372-M375 PolarHBondContact O-N 2.71Å; T372-M376 HydrophobicContact CG2-CG 4.42Å; T372-M376 HydrophobicContact CG2-SD 4.01Å; T372-M376 VanDerWaalsContact O-CG 3.31Å; T372-M376 WeakPolarHBondContact O-CG 3.25Å; T372-M376 PolarHBondContact O-N 2.89Å; T372-C384 HydrophobicContact CG2-CB 4.28Å; T372-E387 HydrophobicContact CG2-CB 4.05Å; T372-A388 HydrophobicContact CG2-CB 4.41Å; T372-V391 WeakPolarHBondContact OG1-CG2 3.27Å; T372-Y550 PolarHBondContact OG1-OH 2.75Å
373	A	96.4	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-47.1	177.7	0	0	0	0	0	111.4	N132 F314 A369 Y370 M375 M376 D377	N132-A373 HydrophobicContact CB-CB 4.12Å; F314-A373 HydrophobicContact CD2-CB 3.85Å; F314-A373 HydrophobicContact CE2-CB 3.76Å; A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.05Å; Y370-A373 PolarHBondContact O-N 3.4Å; A373-M375 VanDerWaalsContact C-N 3.29Å; A373-M375 PolarHBondContact O-N 3.12Å; A373-M376 CarbonylContact O-C 3.54Å; A373-M376 WeakPolarHBondContact O-CA 3.24Å; A373-M376 WeakPolarHBondContact O-CB 3.39Å; A373-M376 PolarHBondContact O-N 2.7Å; A373-D377 VanDerWaalsContact O-CG 3.28Å; A373-D377 PolarHBondContact O-N 3.48Å
374	G	95.4	Very high	92.9	Very high	10 Å²	10	27.9 Å²	27.9	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-29.5	176.4	0	0	0	0	0	113.8	Y370 L371 T372	Y370-G374 PolarHBondContact O-N 2.83Å; L371-G374 PolarHBondContact O-N 3.33Å; T372-G374 PolarHBondContact O-N 3.14Å
375	M	93.9	Very high	92.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.8	-40.3	169.5	-69.4	170.2	69.1	0	0	111.6	L47 V63 L371 T372 A373 D377 R378 E387	L47-M375 HydrophobicContact CD1-CB 4.05Å; L47-M375 HydrophobicContact CD1-CE 4.23Å; V63-M375 HydrophobicContact CG1-SD 4.3Å; L371-M375 HydrophobicContact CG-SD 4.28Å; L371-M375 VanDerWaalsContact O-CG 3.26Å; L371-M375 WeakPolarHBondContact O-CG 3.47Å; L371-M375 PolarHBondContact O-N 3.45Å; T372-M375 WeakPolarHBondContact O-CB 3.36Å; T372-M375 PolarHBondContact O-N 2.71Å; A373-M375 VanDerWaalsContact C-N 3.29Å; A373-M375 PolarHBondContact O-N 3.12Å; M375-D377 VanDerWaalsContact C-N 3.35Å; M375-R378 WeakPolarHBondContact O-CB 3.45Å; M375-R378 PolarHBondContact O-N 3.24Å; M375-E387 HydrophobicContact CE-CG 4.15Å; M375-E387 HydrophobicContact SD-CG 4.43Å
376	M	92.4	Very high	92.5	Very high	33 Å²	33	28.5 Å²	28.5	16%	0.163	17%	0.17	C	C	.	.	H	α-helix	trans	-70.5	-28.5	178.7	-70.3	177.4	65.5	0	0	113.4	N132 F314 T372 A373 R378 C384	N132-M376 HydrophobicContact CB-CB 4.4Å; F314-M376 HydrophobicContact CB-SD 4.35Å; F314-M376 HydrophobicContact CD1-CE 3.86Å; F314-M376 HydrophobicContact CD1-SD 3.5Å; F314-M376 VanDerWaalsContact CD1-SD 3.5Å; F314-M376 HydrophobicContact CE1-CE 3.92Å; F314-M376 HydrophobicContact CE1-SD 4.02Å; F314-M376 HydrophobicContact CG-SD 4.01Å; T372-M376 HydrophobicContact CG2-CG 4.42Å; T372-M376 HydrophobicContact CG2-SD 4.01Å; T372-M376 VanDerWaalsContact O-CG 3.31Å; T372-M376 WeakPolarHBondContact O-CG 3.25Å; T372-M376 PolarHBondContact O-N 2.89Å; A373-M376 CarbonylContact O-C 3.54Å; A373-M376 WeakPolarHBondContact O-CA 3.24Å; A373-M376 WeakPolarHBondContact O-CB 3.39Å; A373-M376 PolarHBondContact O-N 2.7Å; M376-R378 PolarHBondContact O-N 2.92Å; M376-C384 HydrophobicContact CG-CB 3.81Å; M376-C384 HydrophobicContact SD-CB 4.45Å
377	D	92.8	Very high	92.5	Very high	55 Å²	55	27.6 Å²	27.6	29%	0.294	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.1	177.5	-70.4	-30	0	0	0	113.4	N132 T133 A373 M375	N132-D377 WeakPolarHBondContact CB-OD1 3.47Å; N132-D377 PolarHBondContact N-OD1 3.47Å; N132-D377 PolarHBondContact N-OD2 2.93Å; N132-D377 PolarHBondContact ND2-OD1 2.71Å; T133-D377 VanDerWaalsContact CB-OD2 3.25Å; T133-D377 WeakPolarHBondContact CB-OD2 3.49Å; T133-D377 PolarHBondContact N-OD2 3.44Å; T133-D377 PolarHBondContact OG1-OD2 2.85Å; A373-D377 VanDerWaalsContact O-CG 3.28Å; A373-D377 PolarHBondContact O-N 3.48Å; M375-D377 VanDerWaalsContact C-N 3.35Å
378	R	89.4	Confident	92.4	Very high	68 Å²	68	27.6 Å²	27.6	26%	0.257	17%	0.166	S	C	.	.	S	Bend	trans	-67.2	145.5	174.8	-66.6	179.8	-177.6	154.5	11.9	110.8	E62 M375 M376 G380	E62-R378 VanDerWaalsContact O-CZ 3.3Å; E62-R378 PolarHBondContact O-NH1 2.86Å; E62-R378 PolarHBondContact O-NH2 2.98Å; E62-R378 IonicContact OE2-CZ 3.78Å; E62-R378 IonicContact OE2-NH1 3.35Å; E62-R378 PolarHBondContact OE2-NH1 2.76Å; M375-R378 WeakPolarHBondContact O-CB 3.45Å; M375-R378 PolarHBondContact O-N 3.24Å; M376-R378 PolarHBondContact O-N 2.92Å; R378-G380 PolarHBondContact O-N 3.33Å
379	P	84.3	Confident	92.3	Very high	91 Å²	91	27.6 Å²	27.6	59%	0.591	17%	0.166	S	C	*	.	S	Bend	trans	-55.7	138.2	176.1	-24.6	33.3	0	0	0	112.8
380	G	81.9	Confident	92.4	Very high	49 Å²	49	27.6 Å²	27.6	51%	0.505	17%	0.166	S	C	.	.	S	Bend	trans	110.5	-155.3	179.2	0	0	0	0	0	112.5	R378 P382	R378-G380 PolarHBondContact O-N 3.33Å; G380-P382 VanDerWaalsContact C-CD 3.43Å; G380-P382 WeakPolarHBondContact O-CD 3.46Å
381	V	76.3	Confident	92.4	Very high	135 Å²	135	25.9 Å²	25.9	82%	0.818	16%	0.159	S	C	*	.			trans	-118.8	78.2	174.5	-174.3	0	0	0	0	107.1	D383	V381-D383 PolarHBondContact O-N 3.45Å
382	P	82.4	Confident	92.4	Very high	27 Å²	27	25.9 Å²	25.9	18%	0.175	16%	0.159	C	C	.	.			trans	-61.1	135.3	-178.9	23.1	-32.1	0	0	0	111.2	L47 G380 C384	L47-P382 HydrophobicContact CD1-CB 3.32Å; L47-P382 HydrophobicContact CG-CB 3.9Å; G380-P382 VanDerWaalsContact C-CD 3.43Å; G380-P382 WeakPolarHBondContact O-CD 3.46Å; P382-C384 PolarHBondContact O-N 3.03Å
383	D	86.8	Confident	92.4	Very high	50 Å²	50	25.9 Å²	25.9	27%	0.267	16%	0.159	S	C	.	.			trans	-86.1	89.6	173.1	-177.3	8.3	0	0	0	109.7	K51 V381 S385	K51-D383 IonicContact NZ-OD2 2.72Å; K51-D383 PolarHBondContact NZ-OD2 2.87Å; V381-D383 PolarHBondContact O-N 3.45Å; D383-S385 PolarHBondContact OD1-N 3.5Å; D383-S385 PolarHBondContact OD1-OG 3.18Å
384	C	92.4	Very high	92.6	Very high	7 Å²	7	27 Å²	27	5%	0.047	16%	0.164	C	C	.	.			trans	-109.2	23.3	176.2	-60.7	0	0	0	0	112.1	T372 M376 P382 L386 E387 A388	T372-C384 HydrophobicContact CG2-CB 4.28Å; M376-C384 HydrophobicContact CG-CB 3.81Å; M376-C384 HydrophobicContact SD-CB 4.45Å; P382-C384 PolarHBondContact O-N 3.03Å; C384-L386 PolarHBondContact O-N 3.23Å; C384-E387 WeakPolarHBondContact CA-OE2 3.02Å; C384-E387 HydrophobicContact CB-CB 4.43Å; C384-E387 PolarHBondContact O-N 3.09Å; C384-A388 VanDerWaalsContact O-CB 3.31Å; C384-A388 WeakPolarHBondContact O-CB 3.48Å; C384-A388 PolarHBondContact O-N 3.44Å
385	S	93.4	Very high	92.7	Very high	13 Å²	13	26.5 Å²	26.5	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-35.9	-172.3	58.2	0	0	0	0	112.9	D383 A389 Y444	D383-S385 PolarHBondContact OD1-N 3.5Å; D383-S385 PolarHBondContact OD1-OG 3.18Å; S385-A389 WeakPolarHBondContact O-CB 3.35Å; S385-A389 PolarHBondContact O-N 2.93Å; S385-Y444 VanDerWaalsContact CB-OH 3.24Å; S385-Y444 WeakPolarHBondContact CB-OH 3.37Å; S385-Y444 PolarHBondContact OG-OH 3.09Å
386	L	96.2	Very high	92.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-43.8	175.3	-61.1	179.8	0	0	0	111.4	A50 K51 C384 A388 A389 M390 Y444 T448	A50-L386 HydrophobicContact CB-CB 3.82Å; A50-L386 HydrophobicContact CB-CD1 4.15Å; K51-L386 HydrophobicContact CG-CD1 3.64Å; C384-L386 PolarHBondContact O-N 3.23Å; L386-A388 PolarHBondContact O-N 3.39Å; L386-A389 PolarHBondContact O-N 2.98Å; L386-M390 VanDerWaalsContact O-CG 3.29Å; L386-M390 WeakPolarHBondContact O-CG 3.37Å; L386-M390 PolarHBondContact O-N 3.44Å; L386-Y444 HydrophobicContact CD2-CD1 4.31Å; L386-Y444 HydrophobicContact CD2-CE1 3.88Å; L386-T448 HydrophobicContact CD1-CG2 4.27Å; L386-T448 HydrophobicContact CD2-CG2 3.77Å; L386-T448 HydrophobicContact CG-CG2 4.3Å
387	E	97.8	Very high	93.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-49.8	176.8	-68.4	80.4	177	0	0	110.6	A50 T372 M375 C384 A389 M390 V391 Y550	A50-E387 HydrophobicContact CB-CG 4.26Å; A50-E387 VanDerWaalsContact CB-OE1 3.24Å; A50-E387 WeakPolarHBondContact CB-OE1 3.44Å; A50-E387 PolarHBondContact N-OE1 3.1Å; T372-E387 HydrophobicContact CG2-CB 4.05Å; M375-E387 HydrophobicContact CE-CG 4.15Å; M375-E387 HydrophobicContact SD-CG 4.43Å; C384-E387 WeakPolarHBondContact CA-OE2 3.02Å; C384-E387 HydrophobicContact CB-CB 4.43Å; C384-E387 PolarHBondContact O-N 3.09Å; E387-A389 PolarHBondContact O-N 2.84Å; E387-M390 HydrophobicContact CG-CE 4.32Å; E387-M390 PolarHBondContact O-N 3.22Å; E387-V391 VanDerWaalsContact O-CG2 3.27Å; E387-V391 WeakPolarHBondContact O-CG2 3.33Å; E387-V391 PolarHBondContact O-N 2.92Å; E387-Y550 HydrophobicContact CB-CE1 4.11Å; E387-Y550 HydrophobicContact CB-CE2 4.41Å; E387-Y550 HydrophobicContact CG-CD2 4.36Å; E387-Y550 HydrophobicContact CG-CE1 4.32Å; E387-Y550 HydrophobicContact CG-CE2 3.77Å
388	A	96.9	Very high	93.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-39.5	177.3	0	0	0	0	0	112.7	R313 F314 T372 C384 L386 V391 K392	R313-A388 HydrophobicContact CB-CB 3.97Å; F314-A388 HydrophobicContact CB-CB 4.46Å; T372-A388 HydrophobicContact CG2-CB 4.41Å; C384-A388 VanDerWaalsContact O-CB 3.31Å; C384-A388 WeakPolarHBondContact O-CB 3.48Å; C384-A388 PolarHBondContact O-N 3.44Å; L386-A388 PolarHBondContact O-N 3.39Å; A388-V391 PolarHBondContact O-N 3.29Å; A388-K392 PolarHBondContact O-N 3.48Å
389	A	98	Very high	93.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-41	175.3	0	0	0	0	0	112.2	S385 L386 E387 K392 V393 L441 Y444 V445	S385-A389 WeakPolarHBondContact O-CB 3.35Å; S385-A389 PolarHBondContact O-N 2.93Å; L386-A389 PolarHBondContact O-N 2.98Å; E387-A389 PolarHBondContact O-N 2.84Å; A389-K392 PolarHBondContact O-N 3.16Å; A389-V393 WeakPolarHBondContact O-CG2 3.37Å; A389-V393 PolarHBondContact O-N 2.71Å; A389-L441 HydrophobicContact CB-CD2 4.29Å; A389-Y444 HydrophobicContact CB-CD1 4.06Å; A389-Y444 HydrophobicContact CB-CE1 4.28Å; A389-V445 HydrophobicContact CB-CG2 3.72Å
390	M	98.8	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-43	175.5	-68.5	-172.3	-70	0	0	111.7	A50 M368 L386 E387 K392 V393 F394 V445 L546 I547 Y550	A50-M390 HydrophobicContact CB-CE 3.63Å; M368-M390 HydrophobicContact CE-CB 4.33Å; L386-M390 VanDerWaalsContact O-CG 3.29Å; L386-M390 WeakPolarHBondContact O-CG 3.37Å; L386-M390 PolarHBondContact O-N 3.44Å; E387-M390 HydrophobicContact CG-CE 4.32Å; E387-M390 PolarHBondContact O-N 3.22Å; M390-K392 VanDerWaalsContact C-N 3.34Å; M390-K392 PolarHBondContact O-N 3.47Å; M390-V393 PolarHBondContact O-N 3.34Å; M390-F394 VanDerWaalsContact O-CB 3.31Å; M390-F394 WeakPolarHBondContact O-CB 3.2Å; M390-F394 PolarHBondContact O-N 2.93Å; M390-V445 HydrophobicContact CG-CG1 4.22Å; M390-V445 HydrophobicContact CG-CG2 4.1Å; M390-L546 HydrophobicContact CE-CD2 4.42Å; M390-L546 HydrophobicContact SD-CB 4.39Å; M390-L546 HydrophobicContact SD-CD2 3.61Å; M390-L546 HydrophobicContact SD-CG 3.68Å; M390-I547 HydrophobicContact CB-CG1 3.95Å; M390-I547 HydrophobicContact CG-CG1 3.65Å; M390-I547 HydrophobicContact SD-CG1 4.29Å; M390-Y550 HydrophobicContact CB-CD1 4.21Å; M390-Y550 VanDerWaalsContact CE-CB 3.5Å; M390-Y550 HydrophobicContact CE-CD1 3.68Å; M390-Y550 HydrophobicContact CE-CD2 4.07Å; M390-Y550 HydrophobicContact CE-CE1 4.48Å; M390-Y550 HydrophobicContact CE-CG 3.46Å; M390-Y550 VanDerWaalsContact CE-CG 3.46Å; M390-Y550 HydrophobicContact SD-CD1 4.44Å; M390-Y550 HydrophobicContact SD-CG 4.27Å
391	V	98.8	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.8	-48.1	173.9	174.3	0	0	0	0	110.6	F314 M368 A369 T372 E387 A388 S395 Y550	F314-V391 WeakPolarHBondContact O-CG1 3.31Å; M368-V391 HydrophobicContact CB-CG2 3.82Å; A369-V391 HydrophobicContact CB-CG1 4.42Å; T372-V391 WeakPolarHBondContact OG1-CG2 3.27Å; E387-V391 VanDerWaalsContact O-CG2 3.27Å; E387-V391 WeakPolarHBondContact O-CG2 3.33Å; E387-V391 PolarHBondContact O-N 2.92Å; A388-V391 PolarHBondContact O-N 3.29Å; V391-S395 WeakPolarHBondContact O-CB 3.34Å; V391-S395 PolarHBondContact O-N 3.15Å; V391-S395 PolarHBondContact O-OG 2.96Å; V391-Y550 HydrophobicContact CG2-CE1 4.16Å
392	K	98.6	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.5	-50.7	-179.8	-168.3	-65.8	-155.7	-178.8	0	111.5	R313 M316 A388 A389 M390 S396 L431 P432 F434 G436 N438 L441	R313-K392 HydrophobicContact CB-CB 4.18Å; R313-K392 HydrophobicContact CG-CB 4.26Å; R313-K392 HydrophobicContact CG-CG 4.17Å; M316-K392 HydrophobicContact CG-CG 4.41Å; A388-K392 PolarHBondContact O-N 3.48Å; A389-K392 PolarHBondContact O-N 3.16Å; M390-K392 VanDerWaalsContact C-N 3.34Å; M390-K392 PolarHBondContact O-N 3.47Å; K392-S396 VanDerWaalsContact O-CB 3.28Å; K392-S396 WeakPolarHBondContact O-CB 3.49Å; K392-S396 PolarHBondContact O-N 3.44Å; K392-S396 PolarHBondContact O-OG 3.37Å; K392-L431 WeakPolarHBondContact CE-O 3.41Å; K392-L431 PolarHBondContact NZ-O 3.28Å; K392-P432 PolarHBondContact NZ-O 2.87Å; K392-F434 WeakPolarHBondContact CE-O 3.27Å; K392-F434 PolarHBondContact NZ-O 2.85Å; K392-G436 WeakPolarHBondContact CE-O 3.31Å; K392-G436 PolarHBondContact NZ-O 2.9Å; K392-N438 PolarHBondContact NZ-OD1 2.88Å; K392-L441 HydrophobicContact CB-CD1 4.09Å; K392-L441 HydrophobicContact CD-CD1 3.52Å; K392-L441 HydrophobicContact CG-CD1 3.85Å
393	V	98.8	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-52.8	-178.3	175	0	0	0	0	110.8	A389 M390 S395 S396 E397 N438 L441 R442 I547	A389-V393 WeakPolarHBondContact O-CG2 3.37Å; A389-V393 PolarHBondContact O-N 2.71Å; M390-V393 PolarHBondContact O-N 3.34Å; V393-S395 VanDerWaalsContact C-N 3.34Å; V393-S395 PolarHBondContact O-N 2.91Å; V393-S396 PolarHBondContact O-OG 3.39Å; V393-E397 PolarHBondContact O-N 3.38Å; V393-N438 HydrophobicContact CG1-CB 4.28Å; V393-N438 HydrophobicContact CG2-CB 4.29Å; V393-L441 HydrophobicContact CG2-CB 3.54Å; V393-L441 HydrophobicContact CG2-CD1 4.01Å; V393-L441 HydrophobicContact CG2-CG 4.44Å; V393-R442 HydrophobicContact CG1-CG 4.39Å; V393-I547 HydrophobicContact CB-CD1 4.01Å; V393-I547 HydrophobicContact CG1-CD1 3.7Å
394	F	98.9	Very high	97.6	Very high	24 Å²	24	16 Å²	16	11%	0.105	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-47.1	-178.8	-173.6	-86.8	0	0	0	111.7	V364 M365 M368 M390 G398 I547 A551 F580	V364-F394 HydrophobicContact CB-CE1 3.79Å; V364-F394 HydrophobicContact CB-CZ 3.92Å; V364-F394 HydrophobicContact CG1-CD1 4.18Å; V364-F394 HydrophobicContact CG1-CE1 3.37Å; V364-F394 HydrophobicContact CG1-CE2 4.17Å; V364-F394 HydrophobicContact CG1-CZ 3.36Å; M365-F394 HydrophobicContact CE-CE1 4.49Å; M365-F394 HydrophobicContact CG-CD1 3.89Å; M365-F394 HydrophobicContact CG-CE1 3.93Å; M368-F394 HydrophobicContact CE-CB 4Å; M368-F394 HydrophobicContact CE-CG 4.25Å; M368-F394 HydrophobicContact SD-CB 4.09Å; M368-F394 HydrophobicContact SD-CD1 3.73Å; M368-F394 HydrophobicContact SD-CD2 4.35Å; M368-F394 HydrophobicContact SD-CE1 4.29Å; M368-F394 HydrophobicContact SD-CG 3.78Å; M390-F394 VanDerWaalsContact O-CB 3.31Å; M390-F394 WeakPolarHBondContact O-CB 3.2Å; M390-F394 PolarHBondContact O-N 2.93Å; F394-G398 PolarHBondContact O-N 3.49Å; F394-I547 HydrophobicContact CB-CG2 3.87Å; F394-I547 HydrophobicContact CD2-CG2 3.8Å; F394-I547 HydrophobicContact CG-CG2 4.31Å; F394-A551 HydrophobicContact CE2-CB 4.31Å; F394-F580 HydrophobicContact CE2-CE2 4.06Å; F394-F580 HydrophobicContact CE2-CZ 4.11Å; F394-F580 AromaticContact CZ-CE2 3.91Å; F394-F580 HydrophobicContact CZ-CE2 3.91Å; F394-F580 HydrophobicContact CZ-CZ 4.23Å
395	S	98.7	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-74.7	-36.8	-172.4	-49.6	0	0	0	0	112.8	G317 C320 V391 V393 G399	G317-S395 WeakPolarHBondContact CA-OG 3.36Å; C320-S395 PolarHBondContact SG-O 2.97Å; V391-S395 WeakPolarHBondContact O-CB 3.34Å; V391-S395 PolarHBondContact O-N 3.15Å; V391-S395 PolarHBondContact O-OG 2.96Å; V393-S395 VanDerWaalsContact C-N 3.34Å; V393-S395 PolarHBondContact O-N 2.91Å; S395-G399 WeakPolarHBondContact O-CA 3.42Å; S395-G399 PolarHBondContact O-N 2.77Å
396	S	98.6	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.1	-36.5	177	57	0	0	0	0	112.7	K392 V393 W400 N438	K392-S396 VanDerWaalsContact O-CB 3.28Å; K392-S396 WeakPolarHBondContact O-CB 3.49Å; K392-S396 PolarHBondContact O-N 3.44Å; K392-S396 PolarHBondContact O-OG 3.37Å; V393-S396 PolarHBondContact O-OG 3.39Å; S396-W400 PolarHBondContact O-N 3.5Å; S396-N438 PolarHBondContact OG-ND2 2.92Å; S396-N438 PolarHBondContact OG-OD1 3.47Å
397	E	98.6	Very high	98.1	Very high	61 Å²	61	19.1 Å²	19.1	29%	0.285	10%	0.095	S	C	.	.	H	α-helix	trans	-74.5	-47.7	176	-80	166.6	-159.3	0	0	112.4	V393 G399 W400 I401 N438 R442	V393-E397 PolarHBondContact O-N 3.38Å; E397-G399 VanDerWaalsContact C-N 3.26Å; E397-G399 PolarHBondContact O-N 3.34Å; E397-W400 WeakPolarHBondContact O-CB 3.1Å; E397-W400 PolarHBondContact O-N 3.19Å; E397-I401 WeakPolarHBondContact O-CG1 3.38Å; E397-I401 PolarHBondContact O-N 3.21Å; E397-N438 WeakPolarHBondContact CG-ND2 3.33Å; E397-N438 PolarHBondContact OE1-ND2 3.22Å; E397-R442 IonicContact OE1-CZ 2.76Å; E397-R442 IonicContact OE1-NH1 3.54Å; E397-R442 PolarHBondContact OE1-NH1 2.55Å; E397-R442 IonicContact OE1-NH2 2.63Å; E397-R442 PolarHBondContact OE1-NH2 3.25Å; E397-R442 IonicContact OE2-CZ 3.65Å; E397-R442 IonicContact OE2-NH1 2.77Å; E397-R442 IonicContact OE2-NH2 2.68Å; E397-R442 PolarHBondContact OE2-NH2 2.87Å
398	G	98.4	Very high	98.1	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-33.5	176.7	0	0	0	0	0	111.7	F394 I401 C402	F394-G398 PolarHBondContact O-N 3.49Å; G398-I401 PolarHBondContact O-N 3.03Å; G398-C402 VanDerWaalsContact O-CB 3.3Å; G398-C402 WeakPolarHBondContact O-CB 3.23Å; G398-C402 PolarHBondContact O-N 2.69Å; G398-C402 PolarHBondContact O-SG 3.13Å
399	G	98	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-48.5	171.3	0	0	0	0	0	111.9	M365 S395 E397 C402 C403	M365-G399 VanDerWaalsContact CE-N 3.33Å; S395-G399 WeakPolarHBondContact O-CA 3.42Å; S395-G399 PolarHBondContact O-N 2.77Å; E397-G399 VanDerWaalsContact C-N 3.26Å; E397-G399 PolarHBondContact O-N 3.34Å; G399-C402 PolarHBondContact O-N 2.88Å; G399-C403 WeakPolarHBondContact O-CB 3.48Å; G399-C403 PolarHBondContact O-N 3.45Å; G399-C403 PolarHBondContact O-SG 3.42Å
400	W	97.9	Very high	98.1	Very high	94 Å²	94	25.3 Å²	25.3	36%	0.356	12%	0.124	S	C	.	.	H	α-helix	trans	-60.3	-48.1	176.8	171.1	-105	0	0	0	112.1	S396 E397 C402 C403 S404 V425 C428 R429	S396-W400 PolarHBondContact O-N 3.5Å; E397-W400 WeakPolarHBondContact O-CB 3.1Å; E397-W400 PolarHBondContact O-N 3.19Å; W400-C402 PolarHBondContact O-N 3.18Å; W400-C403 PolarHBondContact O-N 2.84Å; W400-S404 WeakPolarHBondContact O-CB 3.32Å; W400-S404 PolarHBondContact O-N 3.4Å; W400-V425 HydrophobicContact CH2-CG1 3.85Å; W400-V425 HydrophobicContact CZ3-CG1 3.64Å; W400-V425 WeakPolarHBondContact CZ3-O 3.35Å; W400-C428 VanDerWaalsContact CA-SG 3.56Å; W400-C428 PolarHBondContact N-SG 3.03Å; W400-R429 HydrophobicContact CE3-CB 4.36Å; W400-R429 HydrophobicContact CZ3-CB 3.93Å; W400-R429 HydrophobicContact CZ3-CG 4.41Å
401	I	98.2	Very high	98	Very high	76 Å²	76	27.1 Å²	27.1	39%	0.39	14%	0.143	S	C	.	.	H	α-helix	trans	-59.7	-49	178.6	-67.9	166.3	0	0	0	110.2	L357 E397 G398 C403 S404 E405	L357-I401 HydrophobicContact CD2-CG2 3.76Å; E397-I401 WeakPolarHBondContact O-CG1 3.38Å; E397-I401 PolarHBondContact O-N 3.21Å; G398-I401 PolarHBondContact O-N 3.03Å; I401-C403 PolarHBondContact O-N 3.02Å; I401-S404 WeakPolarHBondContact O-CB 3.09Å; I401-S404 PolarHBondContact O-N 3.4Å; I401-E405 HydrophobicContact CG2-CG 4.36Å; I401-E405 WeakPolarHBondContact O-CG 3.47Å; I401-E405 PolarHBondContact O-N 3.15Å
402	C	98.4	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-41.8	-178.1	-67.3	0	0	0	0	112.4	I324 M358 N361 G398 G399 W400 S404 E405 A406	I324-C402 HydrophobicContact CD1-CB 3.78Å; I324-C402 HydrophobicContact CG1-CB 3.68Å; I324-C402 HydrophobicContact CG2-CB 4.01Å; M358-C402 HydrophobicContact CG-CB 3.98Å; N361-C402 VanDerWaalsContact CB-SG 3.5Å; G398-C402 VanDerWaalsContact O-CB 3.3Å; G398-C402 WeakPolarHBondContact O-CB 3.23Å; G398-C402 PolarHBondContact O-N 2.69Å; G398-C402 PolarHBondContact O-SG 3.13Å; G399-C402 PolarHBondContact O-N 2.88Å; W400-C402 PolarHBondContact O-N 3.18Å; C402-S404 VanDerWaalsContact C-N 3.31Å; C402-S404 PolarHBondContact O-N 3.45Å; C402-E405 PolarHBondContact O-N 2.89Å; C402-A406 VanDerWaalsContact O-CB 3.27Å; C402-A406 WeakPolarHBondContact O-CB 3.41Å; C402-A406 PolarHBondContact O-N 3.49Å
403	C	97.6	Very high	97.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-41.9	174	-72.7	0	0	0	0	111.7	M323 L327 G399 W400 I401 L407 V425	M323-C403 VanDerWaalsContact CE-SG 3.6Å; L327-C403 HydrophobicContact CD1-CB 4.35Å; L327-C403 WeakPolarHBondContact CD1-SG 3.37Å; G399-C403 WeakPolarHBondContact O-CB 3.48Å; G399-C403 PolarHBondContact O-N 3.45Å; G399-C403 PolarHBondContact O-SG 3.42Å; W400-C403 PolarHBondContact O-N 2.84Å; I401-C403 PolarHBondContact O-N 3.02Å; C403-L407 PolarHBondContact O-N 3.47Å; C403-V425 HydrophobicContact CB-CG2 4.07Å
404	S	97.3	Very high	97.5	Very high	51 Å²	51	32.2 Å²	32.2	36%	0.357	18%	0.184	S	C	.	.	H	α-helix	trans	-64.1	-43.7	176.7	-172.6	0	0	0	0	112	W400 I401 C402 L407 Q408	W400-S404 WeakPolarHBondContact O-CB 3.32Å; W400-S404 PolarHBondContact O-N 3.4Å; I401-S404 WeakPolarHBondContact O-CB 3.09Å; I401-S404 PolarHBondContact O-N 3.4Å; C402-S404 VanDerWaalsContact C-N 3.31Å; C402-S404 PolarHBondContact O-N 3.45Å; S404-L407 WeakPolarHBondContact O-CB 3.38Å; S404-L407 PolarHBondContact O-N 3.22Å; S404-Q408 PolarHBondContact O-N 2.93Å
405	E	98.2	Very high	97.4	Very high	50 Å²	50	40.2 Å²	40.2	23%	0.234	22%	0.215	C	C	.	.	H	α-helix	trans	-70.4	-38.1	-179.8	-68.5	-61.9	167.1	0	0	112.7	K354 L357 I401 C402 L407 Q408 V409	K354-E405 VanDerWaalsContact CD-OE2 3.3Å; K354-E405 WeakPolarHBondContact CD-OE2 3.35Å; K354-E405 WeakPolarHBondContact CE-OE2 3.4Å; K354-E405 WeakPolarHBondContact CG-OE2 3.36Å; K354-E405 IonicContact NZ-OE1 3.2Å; K354-E405 IonicContact NZ-OE2 2.76Å; K354-E405 PolarHBondContact NZ-OE2 2.82Å; L357-E405 HydrophobicContact CD2-CB 4.42Å; L357-E405 HydrophobicContact CD2-CG 3.81Å; I401-E405 HydrophobicContact CG2-CG 4.36Å; I401-E405 WeakPolarHBondContact O-CG 3.47Å; I401-E405 PolarHBondContact O-N 3.15Å; C402-E405 PolarHBondContact O-N 2.89Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 3.21Å; E405-Q408 WeakPolarHBondContact O-CB 3.22Å; E405-Q408 PolarHBondContact O-N 3.14Å; E405-Q408 VanDerWaalsContact O-N 3.15Å; E405-V409 WeakPolarHBondContact O-CG2 3.41Å; E405-V409 PolarHBondContact O-N 3.01Å
406	A	97.3	Very high	97.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-57.4	-44.9	170.1	0	0	0	0	0	111.1	L327 T331 M358 C402 Q408 V409 L410	L327-A406 HydrophobicContact CB-CB 4.22Å; L327-A406 HydrophobicContact CD1-CB 4.42Å; L327-A406 HydrophobicContact CD2-CB 4.45Å; T331-A406 HydrophobicContact CG2-CB 3.94Å; M358-A406 HydrophobicContact SD-CB 3.88Å; C402-A406 VanDerWaalsContact O-CB 3.27Å; C402-A406 WeakPolarHBondContact O-CB 3.41Å; C402-A406 PolarHBondContact O-N 3.49Å; A406-Q408 VanDerWaalsContact C-N 3.31Å; A406-Q408 PolarHBondContact O-N 3.28Å; A406-V409 PolarHBondContact O-N 3.12Å; A406-L410 WeakPolarHBondContact O-CD1 3.45Å
407	L	96.8	Very high	97	Very high	35 Å²	35	50.4 Å²	50.4	18%	0.183	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-42	175.1	-154.9	76.1	0	0	0	111.6	C403 S404 E405 V409 L410 G411 G414 F421 V425	C403-L407 PolarHBondContact O-N 3.47Å; S404-L407 WeakPolarHBondContact O-CB 3.38Å; S404-L407 PolarHBondContact O-N 3.22Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 3.21Å; L407-V409 PolarHBondContact O-N 2.89Å; L407-L410 WeakPolarHBondContact O-CB 3.4Å; L407-L410 PolarHBondContact O-N 3.12Å; L407-L410 VanDerWaalsContact O-N 3.16Å; L407-G411 PolarHBondContact O-N 2.85Å; L407-G414 WeakPolarHBondContact CD1-O 3.46Å; L407-F421 HydrophobicContact CD1-CB 3.59Å; L407-V425 HydrophobicContact CB-CG2 4.25Å; L407-V425 HydrophobicContact CD1-CG2 4.19Å; L407-V425 HydrophobicContact CD2-CG2 4.13Å; L407-V425 HydrophobicContact CG-CG2 4.43Å
408	Q	97.9	Very high	96.6	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.584	29%	0.287	S	S	*	.	H	α-helix	trans	-65.4	-36.6	-178.3	-169.2	63.2	25.6	0	0	112.8	S404 E405 A406 L410 G411	S404-Q408 PolarHBondContact O-N 2.93Å; E405-Q408 WeakPolarHBondContact O-CB 3.22Å; E405-Q408 PolarHBondContact O-N 3.14Å; E405-Q408 VanDerWaalsContact O-N 3.15Å; A406-Q408 VanDerWaalsContact C-N 3.31Å; A406-Q408 PolarHBondContact O-N 3.28Å; Q408-L410 PolarHBondContact O-N 3.13Å; Q408-G411 PolarHBondContact O-N 3.06Å; Q408-G411 VanDerWaalsContact O-N 3.14Å
409	V	98.1	Very high	96.3	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-34.2	174.5	171.1	0	0	0	0	111.5	A335 K354 F355 E405 A406 L407	A335-V409 HydrophobicContact CB-CG1 4.06Å; K354-V409 HydrophobicContact CB-CG2 4.17Å; K354-V409 HydrophobicContact CD-CG2 3.78Å; F355-V409 HydrophobicContact CE2-CG1 4.23Å; F355-V409 HydrophobicContact CE2-CG2 4.38Å; F355-V409 HydrophobicContact CZ-CG1 4.17Å; E405-V409 WeakPolarHBondContact O-CG2 3.41Å; E405-V409 PolarHBondContact O-N 3.01Å; A406-V409 PolarHBondContact O-N 3.12Å; L407-V409 PolarHBondContact O-N 2.89Å
410	L	97.1	Very high	96.1	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-81.6	-18.5	-178.9	-59.5	156.7	0	0	0	112.9	T331 Y334 A406 L407 Q408 L413 F421	T331-L410 HydrophobicContact CG2-CD1 3.91Å; T331-L410 HydrophobicContact CG2-CD2 4.27Å; T331-L410 HydrophobicContact CG2-CG 4.07Å; Y334-L410 HydrophobicContact CD1-CD2 3.74Å; Y334-L410 HydrophobicContact CD2-CD2 4.26Å; Y334-L410 HydrophobicContact CE1-CD2 4.34Å; Y334-L410 HydrophobicContact CG-CD2 3.67Å; A406-L410 WeakPolarHBondContact O-CD1 3.45Å; L407-L410 WeakPolarHBondContact O-CB 3.4Å; L407-L410 PolarHBondContact O-N 3.12Å; L407-L410 VanDerWaalsContact O-N 3.16Å; Q408-L410 PolarHBondContact O-N 3.13Å; L410-L413 HydrophobicContact CB-CD2 4.34Å; L410-L413 HydrophobicContact CD2-CD2 4.07Å; L410-L413 PolarHBondContact O-N 2.9Å; L410-F421 HydrophobicContact CD1-CB 3.74Å; L410-F421 HydrophobicContact CD1-CD1 3.44Å; L410-F421 VanDerWaalsContact CD1-CD1 3.44Å; L410-F421 HydrophobicContact CD1-CD2 3.23Å; L410-F421 HydrophobicContact CD1-CE1 3.72Å; L410-F421 HydrophobicContact CD1-CE2 3.51Å; L410-F421 HydrophobicContact CD1-CG 3.17Å; L410-F421 HydrophobicContact CD1-CZ 3.74Å; L410-F421 HydrophobicContact CD2-CD2 4.34Å; L410-F421 HydrophobicContact CD2-CE1 4.45Å; L410-F421 HydrophobicContact CD2-CE2 3.79Å; L410-F421 HydrophobicContact CD2-CZ 3.85Å; L410-F421 HydrophobicContact CG-CD2 4.37Å; L410-F421 HydrophobicContact CG-CE2 4.3Å; L410-F421 HydrophobicContact CG-CZ 4.46Å
411	G	96.5	Very high	95.9	Very high	38 Å²	38	57.8 Å²	57.8	39%	0.392	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	57.9	-134.2	-175.1	0	0	0	0	0	111.9	L407 Q408 L413 G414	L407-G411 PolarHBondContact O-N 2.85Å; Q408-G411 PolarHBondContact O-N 3.06Å; Q408-G411 VanDerWaalsContact O-N 3.14Å; G411-L413 PolarHBondContact O-N 3.31Å; G411-L413 VanDerWaalsContact O-N 3.12Å; G411-G414 PolarHBondContact O-N 2.74Å
412	G	96.2	Very high	95.8	Very high	63 Å²	63	55.5 Å²	55.5	65%	0.649	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.2	-178.5	0	0	0	0	0	114.5	Y415	G412-Y415 PolarHBondContact O-N 2.9Å
413	L	94.6	Very high	95.8	Very high	43 Å²	43	56.3 Å²	56.3	23%	0.225	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64	-42.4	176.9	-175.5	151	0	0	0	111.4	Y334 L410 G411 Y415 T416 Y419 F421	Y334-L413 HydrophobicContact CE2-CD1 4Å; L410-L413 HydrophobicContact CB-CD2 4.34Å; L410-L413 HydrophobicContact CD2-CD2 4.07Å; L410-L413 PolarHBondContact O-N 2.9Å; G411-L413 PolarHBondContact O-N 3.31Å; G411-L413 VanDerWaalsContact O-N 3.12Å; L413-Y415 PolarHBondContact O-N 3.46Å; L413-T416 PolarHBondContact O-N 2.54Å; L413-T416 PolarHBondContact O-OG1 3.15Å; L413-Y419 HydrophobicContact CD1-CD2 4.35Å; L413-Y419 HydrophobicContact CD1-CE2 3.78Å; L413-Y419 HydrophobicContact CD2-CD1 4.25Å; L413-Y419 HydrophobicContact CD2-CD2 3.49Å; L413-Y419 VanDerWaalsContact CD2-CD2 3.49Å; L413-Y419 HydrophobicContact CD2-CE2 3.8Å; L413-Y419 HydrophobicContact CD2-CG 3.74Å; L413-Y419 HydrophobicContact CG-CD2 3.67Å; L413-Y419 HydrophobicContact CG-CE2 3.52Å; L413-Y419 HydrophobicContact CG-CG 4.4Å; L413-F421 HydrophobicContact CD2-CD2 4.09Å; L413-F421 HydrophobicContact CD2-CE2 3.83Å
414	G	95	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.2	178.7	0	0	0	0	0	112.5	L407 G411 T416	L407-G414 WeakPolarHBondContact CD1-O 3.46Å; G411-G414 PolarHBondContact O-N 2.74Å; G414-T416 VanDerWaalsContact C-N 3.28Å; G414-T416 PolarHBondContact O-N 3.42Å
415	Y	96.6	Very high	95.7	Very high	193 Å²	193	55.5 Å²	55.5	76%	0.757	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.1	179.6	-164.4	-112.4	0	0	0	114.3	G412 L413	G412-Y415 PolarHBondContact O-N 2.9Å; L413-Y415 PolarHBondContact O-N 3.46Å
416	T	94.9	Very high	95.7	Very high	53 Å²	53	54.7 Å²	54.7	33%	0.325	28%	0.283	S	S	.	.	S	Bend	trans	-93.8	146	-179.1	67.8	0	0	0	0	112.5	L413 G414 N418	L413-T416 PolarHBondContact O-N 2.54Å; L413-T416 PolarHBondContact O-OG1 3.15Å; G414-T416 VanDerWaalsContact C-N 3.28Å; G414-T416 PolarHBondContact O-N 3.42Å; T416-N418 PolarHBondContact O-N 2.85Å
417	K	93.9	Very high	95.7	Very high	160 Å²	160	55 Å²	55	70%	0.696	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.6	-179.4	-62.8	-169.3	173.4	-175.1	0	115	Y419 E422	K417-Y419 PolarHBondContact O-N 3.4Å; K417-E422 HydrophobicContact CG-CG 4.27Å
418	N	90.8	Very high	95.7	Very high	143 Å²	143	53.3 Å²	53.3	77%	0.765	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.1	178	-64.7	-26.2	0	0	0	112.3	T416	T416-N418 PolarHBondContact O-N 2.85Å
419	Y	92.1	Very high	95.7	Very high	111 Å²	111	52.2 Å²	52.2	44%	0.435	27%	0.266	S	S	.	.	S	Bend	trans	-128.2	155.7	-176.4	-58.7	-80.9	0	0	0	110.2	L413 K417 F421	L413-Y419 HydrophobicContact CD1-CD2 4.35Å; L413-Y419 HydrophobicContact CD1-CE2 3.78Å; L413-Y419 HydrophobicContact CD2-CD1 4.25Å; L413-Y419 HydrophobicContact CD2-CD2 3.49Å; L413-Y419 VanDerWaalsContact CD2-CD2 3.49Å; L413-Y419 HydrophobicContact CD2-CE2 3.8Å; L413-Y419 HydrophobicContact CD2-CG 3.74Å; L413-Y419 HydrophobicContact CG-CD2 3.67Å; L413-Y419 HydrophobicContact CG-CE2 3.52Å; L413-Y419 HydrophobicContact CG-CG 4.4Å; K417-Y419 PolarHBondContact O-N 3.4Å; Y419-F421 VanDerWaalsContact CB-CD2 3.49Å; Y419-F421 HydrophobicContact CD1-CE2 4.46Å; Y419-F421 HydrophobicContact CG-CD2 4.4Å; Y419-F421 HydrophobicContact CG-CE2 4.25Å; Y419-F421 PolarHBondContact O-N 2.84Å; Y419-F421 VanDerWaalsContact O-N 3.16Å
420	P	92.4	Very high	95.7	Very high	44 Å²	44	54.4 Å²	54.4	29%	0.286	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.6	-170.4	31.1	-37.4	0	0	0	114.3	L330 R423 Y424	L330-P420 HydrophobicContact CD1-CG 4.44Å; P420-R423 WeakPolarHBondContact O-CB 3.49Å; P420-R423 PolarHBondContact O-N 3.39Å; P420-Y424 HydrophobicContact CB-CD2 4.36Å; P420-Y424 HydrophobicContact CB-CE2 4.01Å; P420-Y424 WeakPolarHBondContact O-CD2 3.29Å; P420-Y424 PolarHBondContact O-N 3.26Å
421	F	94.8	Very high	95.8	Very high	16 Å²	16	55.5 Å²	55.5	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-45.1	-167.2	-52.4	-68.9	0	0	0	113.7	L327 L330 T331 L407 L410 L413 Y419 R423 Y424 V425	L327-F421 HydrophobicContact CD2-CD1 3.98Å; L330-F421 HydrophobicContact CB-CE1 3.76Å; L330-F421 HydrophobicContact CB-CZ 4.16Å; L330-F421 HydrophobicContact CD1-CE1 4.29Å; T331-F421 HydrophobicContact CG2-CD1 4.29Å; T331-F421 HydrophobicContact CG2-CE1 3.89Å; L407-F421 HydrophobicContact CD1-CB 3.59Å; L410-F421 HydrophobicContact CD1-CB 3.74Å; L410-F421 HydrophobicContact CD1-CD1 3.44Å; L410-F421 VanDerWaalsContact CD1-CD1 3.44Å; L410-F421 HydrophobicContact CD1-CD2 3.23Å; L410-F421 HydrophobicContact CD1-CE1 3.72Å; L410-F421 HydrophobicContact CD1-CE2 3.51Å; L410-F421 HydrophobicContact CD1-CG 3.17Å; L410-F421 HydrophobicContact CD1-CZ 3.74Å; L410-F421 HydrophobicContact CD2-CD2 4.34Å; L410-F421 HydrophobicContact CD2-CE1 4.45Å; L410-F421 HydrophobicContact CD2-CE2 3.79Å; L410-F421 HydrophobicContact CD2-CZ 3.85Å; L410-F421 HydrophobicContact CG-CD2 4.37Å; L410-F421 HydrophobicContact CG-CE2 4.3Å; L410-F421 HydrophobicContact CG-CZ 4.46Å; L413-F421 HydrophobicContact CD2-CD2 4.09Å; L413-F421 HydrophobicContact CD2-CE2 3.83Å; Y419-F421 VanDerWaalsContact CB-CD2 3.49Å; Y419-F421 HydrophobicContact CD1-CE2 4.46Å; Y419-F421 HydrophobicContact CG-CD2 4.4Å; Y419-F421 HydrophobicContact CG-CE2 4.25Å; Y419-F421 PolarHBondContact O-N 2.84Å; Y419-F421 VanDerWaalsContact O-N 3.16Å; F421-R423 VanDerWaalsContact C-N 3.25Å; F421-R423 PolarHBondContact O-N 3.31Å; F421-Y424 PolarHBondContact O-N 3.4Å; F421-V425 PolarHBondContact O-N 2.88Å
422	E	96.1	Very high	95.9	Very high	27 Å²	27	54.7 Å²	54.7	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-33.8	178.4	69.5	83.9	-155.1	0	0	111.8	K417 V425 R426	K417-E422 HydrophobicContact CG-CG 4.27Å; E422-V425 PolarHBondContact O-N 3.2Å; E422-R426 WeakPolarHBondContact O-CG 3.27Å; E422-R426 PolarHBondContact O-N 3.45Å; E422-R426 IonicContact OE1-CZ 3.27Å; E422-R426 IonicContact OE1-NE 3.19Å; E422-R426 PolarHBondContact OE1-NE 3.22Å; E422-R426 IonicContact OE1-NH2 2.9Å; E422-R426 PolarHBondContact OE1-NH2 2.8Å; E422-R426 WeakPolarHBondContact OE2-CD 3.48Å; E422-R426 IonicContact OE2-CZ 2.74Å; E422-R426 IonicContact OE2-NE 2.74Å; E422-R426 PolarHBondContact OE2-NE 3.38Å; E422-R426 IonicContact OE2-NH2 2.55Å
423	R	97.1	Very high	96	Very high	17 Å²	17	55.5 Å²	55.5	6%	0.064	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-47.9	173.4	-175.9	-168.6	69.5	-146.8	2.1	111.2	S94 D98 P420 F421 V425 R426 D427	S94-R423 PolarHBondContact O-NH1 3.11Å; S94-R423 VanDerWaalsContact O-NH1 3.13Å; D98-R423 HydrophobicContact CB-CG 4.31Å; P420-R423 WeakPolarHBondContact O-CB 3.49Å; P420-R423 PolarHBondContact O-N 3.39Å; F421-R423 VanDerWaalsContact C-N 3.25Å; F421-R423 PolarHBondContact O-N 3.31Å; R423-V425 PolarHBondContact O-N 3.23Å; R423-R426 PolarHBondContact O-N 2.93Å; R423-R426 VanDerWaalsContact O-N 3.09Å; R423-D427 WeakPolarHBondContact O-CB 3.33Å; R423-D427 VanDerWaalsContact O-CG 3.25Å; R423-D427 PolarHBondContact O-N 3.05Å
424	Y	96.8	Very high	96	Very high	13 Å²	13	56 Å²	56	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-36.4	177.6	-76.9	-71.3	0	0	0	112.6	L144 M323 L327 P420 F421 C428	L144-Y424 WeakPolarHBondContact O-CE1 3.37Å; L144-Y424 PolarHBondContact O-OH 3.06Å; M323-Y424 HydrophobicContact CG-CD1 3.66Å; M323-Y424 HydrophobicContact CG-CE1 3.91Å; M323-Y424 HydrophobicContact SD-CD1 3.82Å; M323-Y424 HydrophobicContact SD-CE1 4.49Å; L327-Y424 HydrophobicContact CD1-CG 4.3Å; L327-Y424 HydrophobicContact CD2-CD2 3.66Å; L327-Y424 HydrophobicContact CD2-CE2 4.21Å; L327-Y424 HydrophobicContact CD2-CG 4.03Å; L327-Y424 HydrophobicContact CG-CD2 4.35Å; L327-Y424 HydrophobicContact CG-CG 4.36Å; P420-Y424 HydrophobicContact CB-CD2 4.36Å; P420-Y424 HydrophobicContact CB-CE2 4.01Å; P420-Y424 WeakPolarHBondContact O-CD2 3.29Å; P420-Y424 PolarHBondContact O-N 3.26Å; F421-Y424 PolarHBondContact O-N 3.4Å; Y424-C428 WeakPolarHBondContact O-CB 3.3Å; Y424-C428 PolarHBondContact O-N 2.93Å
425	V	96.8	Very high	95.9	Very high	24 Å²	24	57.9 Å²	57.9	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-46.6	174.5	177.4	0	0	0	0	111.1	W400 C403 L407 F421 E422 R423 C428 R429	W400-V425 HydrophobicContact CH2-CG1 3.85Å; W400-V425 HydrophobicContact CZ3-CG1 3.64Å; W400-V425 WeakPolarHBondContact CZ3-O 3.35Å; C403-V425 HydrophobicContact CB-CG2 4.07Å; L407-V425 HydrophobicContact CB-CG2 4.25Å; L407-V425 HydrophobicContact CD1-CG2 4.19Å; L407-V425 HydrophobicContact CD2-CG2 4.13Å; L407-V425 HydrophobicContact CG-CG2 4.43Å; F421-V425 PolarHBondContact O-N 2.88Å; E422-V425 PolarHBondContact O-N 3.2Å; R423-V425 PolarHBondContact O-N 3.23Å; V425-C428 PolarHBondContact O-N 3.48Å; V425-R429 PolarHBondContact O-N 3.37Å
426	R	98.1	Very high	95.8	Very high	33 Å²	33	49.8 Å²	49.8	13%	0.125	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-46.9	176.9	-71.1	-173.6	-64.5	103.6	-6.1	112	D98 L272 E422 R423 R429	D98-R426 VanDerWaalsContact CG-NH2 3.27Å; D98-R426 IonicContact OD1-CZ 2.71Å; D98-R426 IonicContact OD1-NH1 3.58Å; D98-R426 PolarHBondContact OD1-NH1 2.9Å; D98-R426 IonicContact OD1-NH2 3.43Å; D98-R426 PolarHBondContact OD1-NH2 3.41Å; D98-R426 IonicContact OD2-CZ 2.72Å; D98-R426 IonicContact OD2-NH1 3.58Å; D98-R426 IonicContact OD2-NH2 2.68Å; D98-R426 PolarHBondContact OD2-NH2 3.34Å; L272-R426 HydrophobicContact CD1-CB 4.47Å; L272-R426 HydrophobicContact CD1-CG 3.92Å; L272-R426 HydrophobicContact CG-CB 4.13Å; L272-R426 HydrophobicContact CG-CG 4.13Å; L272-R426 WeakPolarHBondContact O-CB 3.4Å; L272-R426 VanDerWaalsContact O-CD 3.26Å; L272-R426 WeakPolarHBondContact O-CD 3.29Å; L272-R426 PolarHBondContact O-NH1 3.26Å; E422-R426 WeakPolarHBondContact O-CG 3.27Å; E422-R426 PolarHBondContact O-N 3.45Å; E422-R426 IonicContact OE1-CZ 3.27Å; E422-R426 IonicContact OE1-NE 3.19Å; E422-R426 PolarHBondContact OE1-NE 3.22Å; E422-R426 IonicContact OE1-NH2 2.9Å; E422-R426 PolarHBondContact OE1-NH2 2.8Å; E422-R426 WeakPolarHBondContact OE2-CD 3.48Å; E422-R426 IonicContact OE2-CZ 2.74Å; E422-R426 IonicContact OE2-NE 2.74Å; E422-R426 PolarHBondContact OE2-NE 3.38Å; E422-R426 IonicContact OE2-NH2 2.55Å; R423-R426 PolarHBondContact O-N 2.93Å; R423-R426 VanDerWaalsContact O-N 3.09Å; R426-R429 PolarHBondContact O-N 3.12Å
427	D	98.1	Very high	96	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-40	-178.5	-69.1	2.2	0	0	0	111.4	G273 I274 R423 R429 I430	G273-D427 WeakPolarHBondContact CA-OD1 3.18Å; I274-D427 HydrophobicContact CG2-CB 3.92Å; I274-D427 PolarHBondContact N-OD1 2.98Å; R423-D427 WeakPolarHBondContact O-CB 3.33Å; R423-D427 VanDerWaalsContact O-CG 3.25Å; R423-D427 PolarHBondContact O-N 3.05Å; D427-R429 VanDerWaalsContact C-N 3.28Å; D427-R429 PolarHBondContact O-N 3.4Å; D427-I430 WeakPolarHBondContact O-CG2 3.17Å
428	C	97.1	Very high	96.2	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-25.1	-178.4	-172	0	0	0	0	113.1	M323 W400 Y424 V425 I430 L431	M323-C428 HydrophobicContact CE-CB 4.42Å; W400-C428 VanDerWaalsContact CA-SG 3.56Å; W400-C428 PolarHBondContact N-SG 3.03Å; Y424-C428 WeakPolarHBondContact O-CB 3.3Å; Y424-C428 PolarHBondContact O-N 2.93Å; V425-C428 PolarHBondContact O-N 3.48Å; C428-I430 PolarHBondContact O-N 3.43Å; C428-I430 VanDerWaalsContact O-N 3.09Å; C428-L431 WeakPolarHBondContact O-CB 3.32Å; C428-L431 WeakPolarHBondContact O-CG 3.5Å; C428-L431 PolarHBondContact O-N 2.89Å
429	R	97.9	Very high	96.6	Very high	101 Å²	101	40 Å²	40	38%	0.381	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.5	-172.9	-177.5	57.2	-168.4	96.1	-5.9	113.9	L272 W400 V425 R426 D427 L431 P432	L272-R429 HydrophobicContact CD2-CB 3.91Å; L272-R429 HydrophobicContact CD2-CG 3.88Å; W400-R429 HydrophobicContact CE3-CB 4.36Å; W400-R429 HydrophobicContact CZ3-CB 3.93Å; W400-R429 HydrophobicContact CZ3-CG 4.41Å; V425-R429 PolarHBondContact O-N 3.37Å; R426-R429 PolarHBondContact O-N 3.12Å; D427-R429 VanDerWaalsContact C-N 3.28Å; D427-R429 PolarHBondContact O-N 3.4Å; R429-L431 VanDerWaalsContact C-N 3.35Å; R429-P432 WeakPolarHBondContact O-CD 3.22Å
430	I	98	Very high	96.8	Very high	53 Å²	53	38.2 Å²	38.2	27%	0.272	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.6	178.9	-164.9	60.9	0	0	0	113	I274 D427 C428 I433 F434	I274-I430 HydrophobicContact CD1-CG2 3.97Å; D427-I430 WeakPolarHBondContact O-CG2 3.17Å; C428-I430 PolarHBondContact O-N 3.43Å; C428-I430 VanDerWaalsContact O-N 3.09Å; I430-I433 HydrophobicContact CD1-CB 4.22Å; I430-I433 HydrophobicContact CD1-CD1 4.36Å; I430-I433 HydrophobicContact CD1-CG2 4.49Å; I430-I433 WeakPolarHBondContact O-CA 3.5Å; I430-I433 WeakPolarHBondContact O-CB 3.32Å; I430-I433 PolarHBondContact O-N 2.95Å; I430-F434 HydrophobicContact CG1-CB 4.35Å; I430-F434 HydrophobicContact CG1-CD2 3.94Å; I430-F434 HydrophobicContact CG1-CE2 4.45Å; I430-F434 HydrophobicContact CG1-CG 4.08Å; I430-F434 HydrophobicContact CG2-CD2 4.44Å; I430-F434 HydrophobicContact CG2-CE2 4.14Å; I430-F434 HydrophobicContact CG2-CZ 4.27Å; I430-F434 WeakPolarHBondContact O-CD1 3.39Å; I430-F434 PolarHBondContact O-N 2.78Å; I430-F434 VanDerWaalsContact O-N 3.13Å
431	L	97.8	Very high	97.1	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.131	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.6	-172.1	-53.7	-177.8	0	0	0	113.8	M316 K392 C428 R429 I433 F434	M316-L431 HydrophobicContact CE-CD2 4.29Å; M316-L431 HydrophobicContact SD-CB 4.33Å; M316-L431 HydrophobicContact SD-CD1 4.2Å; M316-L431 HydrophobicContact SD-CD2 3.86Å; M316-L431 HydrophobicContact SD-CG 4.35Å; K392-L431 WeakPolarHBondContact CE-O 3.41Å; K392-L431 PolarHBondContact NZ-O 3.28Å; C428-L431 WeakPolarHBondContact O-CB 3.32Å; C428-L431 WeakPolarHBondContact O-CG 3.5Å; C428-L431 PolarHBondContact O-N 2.89Å; R429-L431 VanDerWaalsContact C-N 3.35Å; L431-I433 PolarHBondContact O-N 3.43Å; L431-F434 HydrophobicContact CB-CE1 4.38Å; L431-F434 HydrophobicContact CD2-CE1 3.54Å; L431-F434 HydrophobicContact CD2-CZ 3.48Å; L431-F434 VanDerWaalsContact CD2-CZ 3.48Å
432	P	98.2	Very high	97.3	Very high	22 Å²	22	36.2 Å²	36.2	14%	0.143	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.8	173.8	-23.3	36.3	0	0	0	114.6	K392 R429 N438	K392-P432 PolarHBondContact NZ-O 2.87Å; R429-P432 WeakPolarHBondContact O-CD 3.22Å; P432-N438 PolarHBondContact O-N 2.97Å; P432-N438 PolarHBondContact O-OD1 3.39Å
433	I	98.2	Very high	97.4	Very high	79 Å²	79	36.3 Å²	36.3	41%	0.405	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-58.3	-170.4	-56.2	174.8	0	0	0	111.6	I430 L431 G436 T437	I430-I433 HydrophobicContact CD1-CB 4.22Å; I430-I433 HydrophobicContact CD1-CD1 4.36Å; I430-I433 HydrophobicContact CD1-CG2 4.49Å; I430-I433 WeakPolarHBondContact O-CA 3.5Å; I430-I433 WeakPolarHBondContact O-CB 3.32Å; I430-I433 PolarHBondContact O-N 2.95Å; L431-I433 PolarHBondContact O-N 3.43Å; I433-G436 CarbonylContact O-C 3.56Å; I433-T437 VanDerWaalsContact O-CA 3.29Å; I433-T437 WeakPolarHBondContact O-CA 3.31Å; I433-T437 WeakPolarHBondContact O-CG2 3.35Å; I433-T437 PolarHBondContact O-N 2.95Å; I433-T437 VanDerWaalsContact O-N 3.17Å
434	F	95.5	Very high	97.4	Very high	53 Å²	53	38.9 Å²	38.9	23%	0.232	19%	0.189	C	C	.	.	S	Bend	trans	-75.4	176	-175.3	73.2	-3.4	0	0	0	112.6	V150 M316 K392 I430 L431 G436	V150-F434 HydrophobicContact CG2-CE2 3.97Å; V150-F434 HydrophobicContact CG2-CZ 4.4Å; M316-F434 HydrophobicContact CE-CE1 3.59Å; M316-F434 HydrophobicContact CE-CZ 4.08Å; K392-F434 WeakPolarHBondContact CE-O 3.27Å; K392-F434 PolarHBondContact NZ-O 2.85Å; I430-F434 HydrophobicContact CG1-CB 4.35Å; I430-F434 HydrophobicContact CG1-CD2 3.94Å; I430-F434 HydrophobicContact CG1-CE2 4.45Å; I430-F434 HydrophobicContact CG1-CG 4.08Å; I430-F434 HydrophobicContact CG2-CD2 4.44Å; I430-F434 HydrophobicContact CG2-CE2 4.14Å; I430-F434 HydrophobicContact CG2-CZ 4.27Å; I430-F434 WeakPolarHBondContact O-CD1 3.39Å; I430-F434 PolarHBondContact O-N 2.78Å; I430-F434 VanDerWaalsContact O-N 3.13Å; L431-F434 HydrophobicContact CB-CE1 4.38Å; L431-F434 HydrophobicContact CD2-CE1 3.54Å; L431-F434 HydrophobicContact CD2-CZ 3.48Å; L431-F434 VanDerWaalsContact CD2-CZ 3.48Å; F434-G436 PolarHBondContact O-N 3.5Å; F434-G436 VanDerWaalsContact O-N 3.14Å; F434-G436 VanDerWaalsContact O-O 3.09Å
435	E	93.1	Very high	97.4	Very high	40 Å²	40	38.2 Å²	38.2	19%	0.187	19%	0.187	C	C	.	.	S	Bend	trans	58.2	24.4	-175.7	-68.1	-65.9	145.3	0	0	113.4	L309 R313	L309-E435 WeakPolarHBondContact CD2-OE2 3.44Å; R313-E435 PolarHBondContact NE-O 3.01Å; R313-E435 PolarHBondContact NH2-O 3.3Å
436	G	94.9	Very high	97.5	Very high	24 Å²	24	37.1 Å²	37.1	25%	0.247	18%	0.18	C	C	.	.	S	Bend	trans	92.1	125.5	-167.6	0	0	0	0	0	111.1	K392 I433 F434 L441	K392-G436 WeakPolarHBondContact CE-O 3.31Å; K392-G436 PolarHBondContact NZ-O 2.9Å; I433-G436 CarbonylContact O-C 3.56Å; F434-G436 PolarHBondContact O-N 3.5Å; F434-G436 VanDerWaalsContact O-N 3.14Å; F434-G436 VanDerWaalsContact O-O 3.09Å; G436-L441 WeakPolarHBondContact O-CD1 3.45Å
437	T	98.1	Very high	97.5	Very high	30 Å²	30	38.1 Å²	38.1	18%	0.184	19%	0.187	C	C	.	.			trans	-62	150.7	177.8	77.4	0	0	0	0	110.1	I433 E439 I440 L441	I433-T437 VanDerWaalsContact O-CA 3.29Å; I433-T437 WeakPolarHBondContact O-CA 3.31Å; I433-T437 WeakPolarHBondContact O-CG2 3.35Å; I433-T437 PolarHBondContact O-N 2.95Å; I433-T437 VanDerWaalsContact O-N 3.17Å; T437-E439 PolarHBondContact O-N 3.46Å; T437-E439 PolarHBondContact OG1-OE2 2.91Å; T437-I440 PolarHBondContact O-N 3.43Å; T437-I440 VanDerWaalsContact O-N 3.07Å; T437-I440 WeakPolarHBondContact OG1-CG1 3.31Å; T437-I440 PolarHBondContact OG1-N 3.43Å; T437-L441 WeakPolarHBondContact O-CG 3.24Å; T437-L441 PolarHBondContact O-N 3.22Å
438	N	98.6	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-29.5	-178.6	-74.5	5.8	0	0	0	112.5	K392 V393 S396 E397 P432 R442	K392-N438 PolarHBondContact NZ-OD1 2.88Å; V393-N438 HydrophobicContact CG1-CB 4.28Å; V393-N438 HydrophobicContact CG2-CB 4.29Å; S396-N438 PolarHBondContact OG-ND2 2.92Å; S396-N438 PolarHBondContact OG-OD1 3.47Å; E397-N438 WeakPolarHBondContact CG-ND2 3.33Å; E397-N438 PolarHBondContact OE1-ND2 3.22Å; P432-N438 PolarHBondContact O-N 2.97Å; P432-N438 PolarHBondContact O-OD1 3.39Å; N438-R442 WeakPolarHBondContact O-CB 3.29Å; N438-R442 VanDerWaalsContact O-CG 3.27Å; N438-R442 WeakPolarHBondContact O-CG 3.24Å; N438-R442 PolarHBondContact O-N 3.15Å
439	E	98.5	Very high	97.3	Very high	120 Å²	120	39 Å²	39	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-64.2	-47.6	173.6	-63.8	65.5	-135	0	0	111	T437 L441 R442 M443	T437-E439 PolarHBondContact O-N 3.46Å; T437-E439 PolarHBondContact OG1-OE2 2.91Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-L441 PolarHBondContact O-N 2.86Å; E439-R442 PolarHBondContact O-N 3.4Å; E439-M443 WeakPolarHBondContact O-CG 3.36Å; E439-M443 PolarHBondContact O-N 3.02Å
440	I	97.8	Very high	97.2	Very high	72 Å²	72	34.3 Å²	34.3	37%	0.369	18%	0.176	S	C	.	.	H	α-helix	trans	-67.1	-38.9	179.9	-65.1	-69.9	0	0	0	111	T437 M443 Y444	T437-I440 PolarHBondContact O-N 3.43Å; T437-I440 VanDerWaalsContact O-N 3.07Å; T437-I440 WeakPolarHBondContact OG1-CG1 3.31Å; T437-I440 PolarHBondContact OG1-N 3.43Å; I440-M443 PolarHBondContact O-N 3.42Å; I440-Y444 WeakPolarHBondContact O-CB 3.49Å; I440-Y444 PolarHBondContact O-N 3.45Å
441	L	98.2	Very high	97.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-37.1	175.7	-67.5	179.7	0	0	0	112.3	R313 A389 K392 V393 G436 T437 E439 Y444 V445	R313-L441 VanDerWaalsContact CZ-CD2 3.44Å; A389-L441 HydrophobicContact CB-CD2 4.29Å; K392-L441 HydrophobicContact CB-CD1 4.09Å; K392-L441 HydrophobicContact CD-CD1 3.52Å; K392-L441 HydrophobicContact CG-CD1 3.85Å; V393-L441 HydrophobicContact CG2-CB 3.54Å; V393-L441 HydrophobicContact CG2-CD1 4.01Å; V393-L441 HydrophobicContact CG2-CG 4.44Å; G436-L441 WeakPolarHBondContact O-CD1 3.45Å; T437-L441 WeakPolarHBondContact O-CG 3.24Å; T437-L441 PolarHBondContact O-N 3.22Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-L441 PolarHBondContact O-N 2.86Å; L441-Y444 PolarHBondContact O-N 3.37Å; L441-V445 WeakPolarHBondContact O-CB 3.36Å; L441-V445 VanDerWaalsContact O-CG2 3.22Å; L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 3.17Å
442	R	98.7	Very high	96.9	Very high	17 Å²	17	39.3 Å²	39.3	6%	0.064	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-44.4	171	-77.9	179.5	174.2	92.3	4.1	111.8	V393 E397 N438 E439 Y444 V445 A446 A543 D544 I547	V393-R442 HydrophobicContact CG1-CG 4.39Å; E397-R442 IonicContact OE1-CZ 2.76Å; E397-R442 IonicContact OE1-NH1 3.54Å; E397-R442 PolarHBondContact OE1-NH1 2.55Å; E397-R442 IonicContact OE1-NH2 2.63Å; E397-R442 PolarHBondContact OE1-NH2 3.25Å; E397-R442 IonicContact OE2-CZ 3.65Å; E397-R442 IonicContact OE2-NH1 2.77Å; E397-R442 IonicContact OE2-NH2 2.68Å; E397-R442 PolarHBondContact OE2-NH2 2.87Å; N438-R442 WeakPolarHBondContact O-CB 3.29Å; N438-R442 VanDerWaalsContact O-CG 3.27Å; N438-R442 WeakPolarHBondContact O-CG 3.24Å; N438-R442 PolarHBondContact O-N 3.15Å; E439-R442 PolarHBondContact O-N 3.4Å; R442-Y444 VanDerWaalsContact C-N 3.33Å; R442-Y444 PolarHBondContact O-N 3.43Å; R442-V445 PolarHBondContact O-N 2.87Å; R442-A446 WeakPolarHBondContact O-CB 3.2Å; R442-A446 PolarHBondContact O-N 3.36Å; R442-A543 HydrophobicContact CB-CB 3.69Å; R442-A543 HydrophobicContact CG-CB 3.84Å; R442-A543 WeakPolarHBondContact O-CB 3.43Å; R442-D544 IonicContact CZ-OD1 2.8Å; R442-D544 IonicContact NE-OD1 3.22Å; R442-D544 PolarHBondContact NE-OD1 2.71Å; R442-D544 IonicContact NH2-OD1 3.98Å; R442-D544 PolarHBondContact NH2-OD1 3.01Å; R442-D544 VanDerWaalsContact NH2-OD1 3.12Å; R442-I547 HydrophobicContact CG-CD1 4.44Å
443	M	98.3	Very high	96.7	Very high	29 Å²	29	38.4 Å²	38.4	14%	0.143	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-44.8	175.2	-69.4	-60.6	-63.1	0	0	111.4	E439 I440 L447 Q536 L539	E439-M443 WeakPolarHBondContact O-CG 3.36Å; E439-M443 PolarHBondContact O-N 3.02Å; I440-M443 PolarHBondContact O-N 3.42Å; M443-L447 HydrophobicContact CE-CD1 3.99Å; M443-L447 VanDerWaalsContact O-CB 3.22Å; M443-L447 WeakPolarHBondContact O-CB 3.35Å; M443-L447 VanDerWaalsContact O-CG 3.27Å; M443-L447 WeakPolarHBondContact O-CG 3.44Å; M443-L447 PolarHBondContact O-N 3.26Å; M443-Q536 HydrophobicContact CE-CB 4.39Å; M443-Q536 HydrophobicContact CE-CG 3.81Å; M443-Q536 HydrophobicContact SD-CB 4.01Å; M443-Q536 HydrophobicContact SD-CG 4.02Å; M443-L539 HydrophobicContact CE-CB 4.31Å; M443-L539 HydrophobicContact CE-CD1 3.35Å; M443-L539 HydrophobicContact CE-CG 4.48Å; M443-L539 HydrophobicContact SD-CB 3.8Å; M443-L539 HydrophobicContact SD-CD1 3.99Å
444	Y	96.9	Very high	96.5	Very high	70 Å²	70	35.5 Å²	35.5	28%	0.275	18%	0.179	S	C	.	.	H	α-helix	trans	-59.6	-47.9	175.5	172.4	-107.6	0	0	0	112.3	S385 L386 A389 I440 L441 R442 T448	S385-Y444 VanDerWaalsContact CB-OH 3.24Å; S385-Y444 WeakPolarHBondContact CB-OH 3.37Å; S385-Y444 PolarHBondContact OG-OH 3.09Å; L386-Y444 HydrophobicContact CD2-CD1 4.31Å; L386-Y444 HydrophobicContact CD2-CE1 3.88Å; A389-Y444 HydrophobicContact CB-CD1 4.06Å; A389-Y444 HydrophobicContact CB-CE1 4.28Å; I440-Y444 WeakPolarHBondContact O-CB 3.49Å; I440-Y444 PolarHBondContact O-N 3.45Å; L441-Y444 PolarHBondContact O-N 3.37Å; R442-Y444 VanDerWaalsContact C-N 3.33Å; R442-Y444 PolarHBondContact O-N 3.43Å; Y444-T448 WeakPolarHBondContact CD2-OG1 3.48Å; Y444-T448 VanDerWaalsContact CE2-OG1 3.29Å; Y444-T448 WeakPolarHBondContact CE2-OG1 3.15Å; Y444-T448 WeakPolarHBondContact O-CB 3.47Å; Y444-T448 PolarHBondContact O-N 3.39Å; Y444-T448 PolarHBondContact O-OG1 3.2Å
445	V	97.9	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-52.2	179	165.4	0	0	0	0	110.7	A389 M390 L441 R442 G449 A543 L546	A389-V445 HydrophobicContact CB-CG2 3.72Å; M390-V445 HydrophobicContact CG-CG1 4.22Å; M390-V445 HydrophobicContact CG-CG2 4.1Å; L441-V445 WeakPolarHBondContact O-CB 3.36Å; L441-V445 VanDerWaalsContact O-CG2 3.22Å; L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 3.17Å; R442-V445 PolarHBondContact O-N 2.87Å; V445-G449 PolarHBondContact O-N 2.91Å; V445-A543 HydrophobicContact CB-CB 4.34Å; V445-A543 HydrophobicContact CG1-CB 4.16Å; V445-L546 HydrophobicContact CG1-CB 4.5Å; V445-L546 HydrophobicContact CG1-CD2 3.37Å
446	A	98.4	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-52.6	-179.2	0	0	0	0	0	111.5	R442 T448 G449 M450 L539 V542 A543	R442-A446 WeakPolarHBondContact O-CB 3.2Å; R442-A446 PolarHBondContact O-N 3.36Å; A446-T448 PolarHBondContact O-N 3.09Å; A446-G449 PolarHBondContact O-N 3.29Å; A446-M450 WeakPolarHBondContact O-CB 3.27Å; A446-M450 WeakPolarHBondContact O-CG 3.41Å; A446-M450 PolarHBondContact O-N 3.33Å; A446-L539 HydrophobicContact CB-CB 3.96Å; A446-L539 HydrophobicContact CB-CD2 3.7Å; A446-L539 HydrophobicContact CB-CG 4.43Å; A446-L539 WeakPolarHBondContact CB-O 3.41Å; A446-V542 HydrophobicContact CB-CB 4.29Å; A446-V542 HydrophobicContact CB-CG1 4.06Å; A446-A543 HydrophobicContact CB-CB 4.24Å
447	L	97.5	Very high	95.6	Very high	54 Å²	54	40.3 Å²	40.3	28%	0.283	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-42	-175	-72	172.2	0	0	0	113.1	M443 G449 M450 Q451 V533 L539	M443-L447 HydrophobicContact CE-CD1 3.99Å; M443-L447 VanDerWaalsContact O-CB 3.22Å; M443-L447 WeakPolarHBondContact O-CB 3.35Å; M443-L447 VanDerWaalsContact O-CG 3.27Å; M443-L447 WeakPolarHBondContact O-CG 3.44Å; M443-L447 PolarHBondContact O-N 3.26Å; L447-G449 VanDerWaalsContact C-N 3.33Å; L447-G449 PolarHBondContact O-N 2.86Å; L447-M450 PolarHBondContact O-N 3.47Å; L447-Q451 VanDerWaalsContact O-CB 3.24Å; L447-Q451 WeakPolarHBondContact O-CB 3.28Å; L447-Q451 PolarHBondContact O-N 3.33Å; L447-V533 HydrophobicContact CD1-CG2 4.19Å; L447-V533 HydrophobicContact CD2-CB 4.24Å; L447-V533 HydrophobicContact CD2-CG2 4.24Å; L447-L539 HydrophobicContact CD2-CD1 3.7Å; L447-L539 HydrophobicContact CD2-CD2 4.06Å; L447-L539 HydrophobicContact CG-CD1 4.03Å; L447-L539 HydrophobicContact CG-CD2 4.45Å
448	T	95.9	Very high	95	Very high	26 Å²	26	42.4 Å²	42.4	16%	0.16	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-42.9	178.7	-57.5	0	0	0	0	111	L386 Y444 A446 Y452	L386-T448 HydrophobicContact CD1-CG2 4.27Å; L386-T448 HydrophobicContact CD2-CG2 3.77Å; L386-T448 HydrophobicContact CG-CG2 4.3Å; Y444-T448 WeakPolarHBondContact CD2-OG1 3.48Å; Y444-T448 VanDerWaalsContact CE2-OG1 3.29Å; Y444-T448 WeakPolarHBondContact CE2-OG1 3.15Å; Y444-T448 WeakPolarHBondContact O-CB 3.47Å; Y444-T448 PolarHBondContact O-N 3.39Å; Y444-T448 PolarHBondContact O-OG1 3.2Å; A446-T448 PolarHBondContact O-N 3.09Å; T448-Y452 PolarHBondContact O-N 3.39Å; T448-Y452 VanDerWaalsContact O-N 3.09Å
449	G	95.8	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-43.8	176.4	0	0	0	0	0	113.7	F54 V445 A446 L447 Q451 Y452 A453	F54-G449 VanDerWaalsContact CE2-CA 3.45Å; V445-G449 PolarHBondContact O-N 2.91Å; A446-G449 PolarHBondContact O-N 3.29Å; L447-G449 VanDerWaalsContact C-N 3.33Å; L447-G449 PolarHBondContact O-N 2.86Å; G449-Q451 VanDerWaalsContact C-N 3.3Å; G449-Q451 PolarHBondContact O-N 3.22Å; G449-Y452 WeakPolarHBondContact O-CB 3.33Å; G449-Y452 PolarHBondContact O-N 3.13Å; G449-A453 PolarHBondContact O-N 3.35Å
450	M	96	Very high	93.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-39	175	-68.6	-57.1	-87.2	0	0	111.7	F54 A446 L447 A453 G454 V521 L524 L525 I532 L539 V542	F54-M450 HydrophobicContact CD1-CG 4.44Å; F54-M450 HydrophobicContact CD1-SD 3.88Å; F54-M450 HydrophobicContact CE1-CG 4.06Å; F54-M450 HydrophobicContact CE1-SD 3.92Å; A446-M450 WeakPolarHBondContact O-CB 3.27Å; A446-M450 WeakPolarHBondContact O-CG 3.41Å; A446-M450 PolarHBondContact O-N 3.33Å; L447-M450 PolarHBondContact O-N 3.47Å; M450-A453 PolarHBondContact O-N 3.48Å; M450-G454 PolarHBondContact O-N 3.39Å; M450-V521 HydrophobicContact CE-CG1 4.17Å; M450-V521 HydrophobicContact SD-CB 4.16Å; M450-V521 HydrophobicContact SD-CG1 3.59Å; M450-V521 VanDerWaalsContact SD-CG1 3.59Å; M450-V521 HydrophobicContact SD-CG2 3.9Å; M450-L524 HydrophobicContact CE-CB 3.83Å; M450-L524 HydrophobicContact CE-CD1 4.5Å; M450-L525 HydrophobicContact CB-CD2 4.35Å; M450-L525 HydrophobicContact CE-CD1 4.46Å; M450-L525 HydrophobicContact CE-CD2 3.73Å; M450-L525 HydrophobicContact CE-CG 3.6Å; M450-I532 HydrophobicContact CE-CD1 3.19Å; M450-I532 HydrophobicContact CG-CD1 4.38Å; M450-L539 HydrophobicContact CG-CD2 4.39Å; M450-V542 HydrophobicContact SD-CG1 4.47Å
451	Q	94.9	Very high	92.6	Very high	115 Å²	115	41.6 Å²	41.6	54%	0.537	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-42.9	175.4	-171.3	-170.8	31.8	0	0	111.3	L447 G449 K455	L447-Q451 VanDerWaalsContact O-CB 3.24Å; L447-Q451 WeakPolarHBondContact O-CB 3.28Å; L447-Q451 PolarHBondContact O-N 3.33Å; G449-Q451 VanDerWaalsContact C-N 3.3Å; G449-Q451 PolarHBondContact O-N 3.22Å; Q451-K455 WeakPolarHBondContact O-CG 3.47Å; Q451-K455 PolarHBondContact O-N 3.22Å
452	Y	94.1	Very high	91.7	Very high	67 Å²	67	47.9 Å²	47.9	26%	0.263	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-51.8	175.1	175.8	-95.4	0	0	0	111.3	K51 D52 L55 T448 G449 G454 K455 V456	K51-Y452 HydrophobicContact CB-CD1 3.62Å; K51-Y452 HydrophobicContact CB-CD2 4.25Å; K51-Y452 HydrophobicContact CB-CE1 3.77Å; K51-Y452 HydrophobicContact CB-CE2 4.38Å; K51-Y452 HydrophobicContact CB-CG 3.87Å; K51-Y452 HydrophobicContact CD-CD2 3.87Å; K51-Y452 HydrophobicContact CD-CE2 4.3Å; K51-Y452 HydrophobicContact CD-CG 4.06Å; K51-Y452 HydrophobicContact CG-CD1 4.42Å; K51-Y452 HydrophobicContact CG-CD2 4.48Å; K51-Y452 HydrophobicContact CG-CG 4.21Å; D52-Y452 PolarHBondContact OD1-OH 3.07Å; L55-Y452 HydrophobicContact CD1-CE1 3.64Å; L55-Y452 HydrophobicContact CG-CE1 4Å; T448-Y452 PolarHBondContact O-N 3.39Å; T448-Y452 VanDerWaalsContact O-N 3.09Å; G449-Y452 WeakPolarHBondContact O-CB 3.33Å; G449-Y452 PolarHBondContact O-N 3.13Å; Y452-G454 VanDerWaalsContact C-N 3.34Å; Y452-G454 PolarHBondContact O-N 3.18Å; Y452-K455 PolarHBondContact O-N 2.83Å; Y452-V456 HydrophobicContact CE1-CG2 4.21Å; Y452-V456 PolarHBondContact O-N 2.83Å; Y452-V456 VanDerWaalsContact O-N 3.11Å
453	A	93.8	Very high	90.6	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-42.5	178.4	0	0	0	0	0	112.4	F54 L55 G449 M450 K455 V456 L457 V521 L525	F54-A453 HydrophobicContact CB-CB 4Å; L55-A453 HydrophobicContact CD2-CB 3.98Å; G449-A453 PolarHBondContact O-N 3.35Å; M450-A453 PolarHBondContact O-N 3.48Å; A453-K455 PolarHBondContact O-N 3.04Å; A453-V456 PolarHBondContact O-N 3.4Å; A453-L457 WeakPolarHBondContact O-CB 3.39Å; A453-L457 PolarHBondContact O-N 3.45Å; A453-V521 HydrophobicContact CB-CG1 3.87Å; A453-L525 HydrophobicContact CB-CD1 3.99Å
454	G	92.9	Very high	89.1	Confident	18 Å²	18	52.4 Å²	52.4	19%	0.186	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-39.4	176.7	0	0	0	0	0	113.5	M450 Y452 T458	M450-G454 PolarHBondContact O-N 3.39Å; Y452-G454 VanDerWaalsContact C-N 3.34Å; Y452-G454 PolarHBondContact O-N 3.18Å; G454-T458 VanDerWaalsContact O-CB 3.29Å; G454-T458 WeakPolarHBondContact O-CB 3.41Å; G454-T458 PolarHBondContact O-N 3.19Å; G454-T458 PolarHBondContact O-OG1 3.17Å
455	K	92.4	Very high	87.9	Confident	137 Å²	137	57.7 Å²	57.7	60%	0.596	29%	0.288	S	S	*	.	H	α-helix	trans	-62.5	-46.8	173.3	-75.7	173.9	-178.4	174	0	111.3	Q451 Y452 A453 T458 G459	Q451-K455 WeakPolarHBondContact O-CG 3.47Å; Q451-K455 PolarHBondContact O-N 3.22Å; Y452-K455 PolarHBondContact O-N 2.83Å; A453-K455 PolarHBondContact O-N 3.04Å; K455-T458 PolarHBondContact O-N 2.63Å; K455-G459 PolarHBondContact O-N 3.14Å
456	V	89	Confident	86.7	Confident	42 Å²	42	65.1 Å²	65.1	26%	0.255	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-46.4	178.9	173.8	0	0	0	0	111.3	L55 Y452 A453 T458 G459 K460	L55-V456 HydrophobicContact CD1-CG1 4.15Å; L55-V456 HydrophobicContact CD1-CG2 4.29Å; L55-V456 HydrophobicContact CD2-CB 4.05Å; L55-V456 HydrophobicContact CD2-CG1 4Å; L55-V456 HydrophobicContact CD2-CG2 4.45Å; Y452-V456 HydrophobicContact CE1-CG2 4.21Å; Y452-V456 PolarHBondContact O-N 2.83Å; Y452-V456 VanDerWaalsContact O-N 3.11Å; A453-V456 PolarHBondContact O-N 3.4Å; V456-T458 PolarHBondContact O-N 3.21Å; V456-G459 PolarHBondContact O-N 3.22Å; V456-K460 PolarHBondContact O-N 2.75Å
457	L	84.1	Confident	84.8	Confident	39 Å²	39	67.7 Å²	67.7	20%	0.204	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-43.3	179.2	-174.9	64	0	0	0	111.6	A453 G459 K460 I461	A453-L457 WeakPolarHBondContact O-CB 3.39Å; A453-L457 PolarHBondContact O-N 3.45Å; L457-G459 VanDerWaalsContact C-N 3.3Å; L457-G459 PolarHBondContact O-N 2.9Å; L457-K460 PolarHBondContact O-N 3.45Å; L457-I461 HydrophobicContact CG-CD1 4.18Å; L457-I461 WeakPolarHBondContact O-CG1 3.43Å; L457-I461 PolarHBondContact O-N 2.9Å
458	T	86.4	Confident	83.1	Confident	74 Å²	74	68.6 Å²	68.6	45%	0.454	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-41	174.4	-59.1	0	0	0	0	111.4	G454 K455 V456 I461 K462	G454-T458 VanDerWaalsContact O-CB 3.29Å; G454-T458 WeakPolarHBondContact O-CB 3.41Å; G454-T458 PolarHBondContact O-N 3.19Å; G454-T458 PolarHBondContact O-OG1 3.17Å; K455-T458 PolarHBondContact O-N 2.63Å; V456-T458 PolarHBondContact O-N 3.21Å; T458-I461 PolarHBondContact O-N 2.97Å; T458-K462 WeakPolarHBondContact O-CG 3.47Å; T458-K462 PolarHBondContact O-N 3.07Å
459	G	84.4	Confident	81.3	Confident	33 Å²	33	73.7 Å²	73.7	34%	0.34	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-49.8	173.8	0	0	0	0	0	112.2	K455 V456 L457 I461 K462 E463	K455-G459 PolarHBondContact O-N 3.14Å; V456-G459 PolarHBondContact O-N 3.22Å; L457-G459 VanDerWaalsContact C-N 3.3Å; L457-G459 PolarHBondContact O-N 2.9Å; G459-I461 VanDerWaalsContact C-N 3.34Å; G459-I461 PolarHBondContact O-N 3.26Å; G459-K462 PolarHBondContact O-N 2.93Å; G459-E463 PolarHBondContact O-N 3.44Å; G459-E463 VanDerWaalsContact O-N 3.09Å
460	K	79.3	Confident	79.5	Confident	69 Å²	69	80.9 Å²	80.9	30%	0.3	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-41.8	177.1	-70.2	179.7	-179	177.4	0	112.4	V456 L457 K462 E463 M464	V456-K460 PolarHBondContact O-N 2.75Å; L457-K460 PolarHBondContact O-N 3.45Å; K460-K462 PolarHBondContact O-N 3.38Å; K460-E463 PolarHBondContact O-N 3.32Å; K460-M464 WeakPolarHBondContact O-CG 3.5Å; K460-M464 PolarHBondContact O-N 2.97Å
461	I	78.8	Confident	77.7	Confident	73 Å²	73	83.3 Å²	83.3	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-41	177.2	-68.2	166.2	0	0	0	111.5	L457 T458 G459 E463 M464 K465	L457-I461 HydrophobicContact CG-CD1 4.18Å; L457-I461 WeakPolarHBondContact O-CG1 3.43Å; L457-I461 PolarHBondContact O-N 2.9Å; T458-I461 PolarHBondContact O-N 2.97Å; G459-I461 VanDerWaalsContact C-N 3.34Å; G459-I461 PolarHBondContact O-N 3.26Å; I461-E463 VanDerWaalsContact C-N 3.35Å; I461-M464 HydrophobicContact CB-CE 4.36Å; I461-M464 HydrophobicContact CG1-CE 3.89Å; I461-M464 PolarHBondContact O-N 3.28Å; I461-K465 WeakPolarHBondContact O-CG 3.22Å; I461-K465 PolarHBondContact O-N 3.43Å
462	K	80.8	Confident	76	Confident	135 Å²	135	80.1 Å²	80.1	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-62.7	-41.5	176.1	-74.1	178.6	179.1	-176.7	0	111.8	T458 G459 K460 K465 K466	T458-K462 WeakPolarHBondContact O-CG 3.47Å; T458-K462 PolarHBondContact O-N 3.07Å; G459-K462 PolarHBondContact O-N 2.93Å; K460-K462 PolarHBondContact O-N 3.38Å; K462-K465 PolarHBondContact O-N 2.92Å; K462-K466 WeakPolarHBondContact O-CG 3.48Å; K462-K466 PolarHBondContact O-N 3.4Å
463	E	74.7	Confident	74.3	Confident	79 Å²	79	81.3 Å²	81.3	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-69.2	-37	177.4	-69	-58.4	121.1	0	0	112.7	G459 K460 I461 K466 M471	G459-E463 PolarHBondContact O-N 3.44Å; G459-E463 VanDerWaalsContact O-N 3.09Å; K460-E463 PolarHBondContact O-N 3.32Å; I461-E463 VanDerWaalsContact C-N 3.35Å; E463-K466 WeakPolarHBondContact O-CB 3.25Å; E463-K466 PolarHBondContact O-N 3.21Å; E463-K466 IonicContact OE1-NZ 2.68Å; E463-K466 PolarHBondContact OE1-NZ 3.45Å; E463-M471 HydrophobicContact CB-CE 3.74Å
464	M	67.8	Low	72.7	Confident	61 Å²	61	85.2 Å²	85.2	30%	0.3	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-41.8	172.4	-74.1	-172.8	-66.4	0	0	112.2	K460 I461 K466 G467 M475	K460-M464 WeakPolarHBondContact O-CG 3.5Å; K460-M464 PolarHBondContact O-N 2.97Å; I461-M464 HydrophobicContact CB-CE 4.36Å; I461-M464 HydrophobicContact CG1-CE 3.89Å; I461-M464 PolarHBondContact O-N 3.28Å; M464-K466 PolarHBondContact O-N 3.12Å; M464-G467 PolarHBondContact O-N 3.13Å; M464-M475 HydrophobicContact CE-SD 4.41Å; M464-M475 HydrophobicContact SD-SD 4.2Å
465	K	70.3	Confident	71.2	Confident	182 Å²	182	87 Å²	87	79%	0.791	45%	0.453	S	S	*	.	H	α-helix	trans	-65.2	-19	176	-75.2	-174.3	176.5	-172.1	0	113.5	I461 K462 G467	I461-K465 WeakPolarHBondContact O-CG 3.22Å; I461-K465 PolarHBondContact O-N 3.43Å; K462-K465 PolarHBondContact O-N 2.92Å; K465-G467 VanDerWaalsContact C-N 3.26Å; K465-G467 PolarHBondContact O-N 3.34Å
466	K	72.8	Confident	69.7	Low	155 Å²	155	83.5 Å²	83.5	67%	0.674	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	6.4	172.7	-69.9	175.8	-173.3	168.6	0	113.8	K462 E463 M464	K462-K466 WeakPolarHBondContact O-CG 3.48Å; K462-K466 PolarHBondContact O-N 3.4Å; E463-K466 WeakPolarHBondContact O-CB 3.25Å; E463-K466 PolarHBondContact O-N 3.21Å; E463-K466 IonicContact OE1-NZ 2.68Å; E463-K466 PolarHBondContact OE1-NZ 3.45Å; M464-K466 PolarHBondContact O-N 3.12Å
467	G	59.2	Low	68.3	Low	54 Å²	54	83.3 Å²	83.3	56%	0.557	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	16.2	170	0	0	0	0	0	116	M464 K465 I469	M464-G467 PolarHBondContact O-N 3.13Å; K465-G467 VanDerWaalsContact C-N 3.26Å; K465-G467 PolarHBondContact O-N 3.34Å; G467-I469 PolarHBondContact O-N 3.32Å
468	N	61.4	Low	67.2	Low	73 Å²	73	87.1 Å²	87.1	39%	0.39	47%	0.47	S	S	.	.			trans	-80.1	79.2	177.5	-164.1	-14.7	0	0	0	112.1	F470 M471	N468-F470 PolarHBondContact O-N 3.23Å; N468-M471 PolarHBondContact O-N 3.17Å; N468-M471 VanDerWaalsContact O-N 3.16Å
469	I	58.8	Low	65.9	Low	133 Å²	133	90 Å²	90	68%	0.682	48%	0.477	S	S	*	.	H	α-helix	trans	-54.1	-36.1	-178	-65.3	170.2	0	0	0	112.2	G467 M471 A472 V473	G467-I469 PolarHBondContact O-N 3.32Å; I469-M471 VanDerWaalsContact C-N 3.29Å; I469-M471 PolarHBondContact O-N 3.44Å; I469-A472 PolarHBondContact O-N 2.76Å; I469-V473 HydrophobicContact CG2-CG2 4.27Å; I469-V473 WeakPolarHBondContact O-CG2 3.32Å; I469-V473 PolarHBondContact O-N 2.63Å; I469-V473 VanDerWaalsContact O-N 3.13Å
470	F	57.7	Low	64.5	Low	152 Å²	152	93.9 Å²	93.9	67%	0.667	49%	0.489	S	S	*	.	H	α-helix	trans	-59.3	-37.9	-179.8	-176.9	-102.9	0	0	0	112.8	N468 N474	N468-F470 PolarHBondContact O-N 3.23Å; F470-N474 WeakPolarHBondContact CE1-ND2 3.2Å; F470-N474 WeakPolarHBondContact CZ-ND2 3.25Å; F470-N474 PolarHBondContact O-N 3.3Å; F470-N474 VanDerWaalsContact O-N 3.16Å; F470-N474 PolarHBondContact O-ND2 2.87Å
471	M	58.2	Low	63.6	Low	54 Å²	54	98.4 Å²	98.4	27%	0.266	50%	0.504	S	S	.	.	H	α-helix	trans	-70.9	-37.2	178.8	-123.2	-154.8	-68.3	0	0	112.4	E463 N468 I469 N474 M475	E463-M471 HydrophobicContact CB-CE 3.74Å; N468-M471 PolarHBondContact O-N 3.17Å; N468-M471 VanDerWaalsContact O-N 3.16Å; I469-M471 VanDerWaalsContact C-N 3.29Å; I469-M471 PolarHBondContact O-N 3.44Å; M471-N474 PolarHBondContact O-N 2.9Å; M471-M475 PolarHBondContact O-N 2.9Å
472	A	58.5	Low	62.7	Low	48 Å²	48	96.7 Å²	96.7	40%	0.397	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-42	178.4	0	0	0	0	0	111.7	I469 M475 A476	I469-A472 PolarHBondContact O-N 2.76Å; A472-M475 PolarHBondContact O-N 2.65Å; A472-A476 WeakPolarHBondContact O-CB 3.31Å; A472-A476 PolarHBondContact O-N 3Å; A472-A476 VanDerWaalsContact O-N 3.07Å
473	V	59.8	Low	61.5	Low	93 Å²	93	95.2 Å²	95.2	56%	0.564	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-43.1	175.5	176.1	0	0	0	0	111.2	I469 A476 G477	I469-V473 HydrophobicContact CG2-CG2 4.27Å; I469-V473 WeakPolarHBondContact O-CG2 3.32Å; I469-V473 PolarHBondContact O-N 2.63Å; I469-V473 VanDerWaalsContact O-N 3.13Å; V473-A476 PolarHBondContact O-N 2.89Å; V473-G477 PolarHBondContact O-N 3.34Å
474	N	59.8	Low	60.4	Low	86 Å²	86	97.8 Å²	97.8	46%	0.46	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-39.8	177.5	-82.9	-26.8	0	0	0	113.5	F470 M471 K478	F470-N474 WeakPolarHBondContact CE1-ND2 3.2Å; F470-N474 WeakPolarHBondContact CZ-ND2 3.25Å; F470-N474 PolarHBondContact O-N 3.3Å; F470-N474 VanDerWaalsContact O-N 3.16Å; F470-N474 PolarHBondContact O-ND2 2.87Å; M471-N474 PolarHBondContact O-N 2.9Å; N474-K478 WeakPolarHBondContact O-CB 3.42Å; N474-K478 PolarHBondContact O-N 2.97Å
475	M	60.5	Low	59.8	Low	56 Å²	56	98 Å²	98	28%	0.276	54%	0.537	S	S	.	.	H	α-helix	trans	-67	-40.1	175.3	-82.8	-173.4	91.2	0	0	112.3	M464 M471 A472 K478 K479	M464-M475 HydrophobicContact CE-SD 4.41Å; M464-M475 HydrophobicContact SD-SD 4.2Å; M471-M475 PolarHBondContact O-N 2.9Å; A472-M475 PolarHBondContact O-N 2.65Å; M475-K478 PolarHBondContact O-N 3.37Å; M475-K479 PolarHBondContact O-N 2.72Å
476	A	60.4	Low	59.3	Low	62 Å²	62	91.3 Å²	91.3	51%	0.512	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-43.9	175.7	0	0	0	0	0	111.5	A472 V473 K479 L480	A472-A476 WeakPolarHBondContact O-CB 3.31Å; A472-A476 PolarHBondContact O-N 3Å; A472-A476 VanDerWaalsContact O-N 3.07Å; V473-A476 PolarHBondContact O-N 2.89Å; A476-K479 PolarHBondContact O-N 3.24Å; A476-L480 WeakPolarHBondContact O-CB 3.33Å; A476-L480 PolarHBondContact O-N 3.42Å
477	G	60.6	Low	59	Low	38 Å²	38	88.6 Å²	88.6	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-43.7	175.1	0	0	0	0	0	113.1	V473 L480 R481	V473-G477 PolarHBondContact O-N 3.34Å; G477-L480 PolarHBondContact O-N 3.16Å; G477-R481 PolarHBondContact O-N 2.95Å
478	K	61	Low	60.1	Low	119 Å²	119	87.5 Å²	87.5	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-61.9	-46.2	176	-169.4	177.6	-179.9	-177.4	0	111.4	N474 M475 L480 R481 T482	N474-K478 WeakPolarHBondContact O-CB 3.42Å; N474-K478 PolarHBondContact O-N 2.97Å; M475-K478 PolarHBondContact O-N 3.37Å; K478-L480 VanDerWaalsContact C-N 3.35Å; K478-L480 PolarHBondContact O-N 3.31Å; K478-R481 PolarHBondContact O-N 3.41Å; K478-T482 PolarHBondContact O-N 2.98Å; K478-T482 VanDerWaalsContact O-N 3.13Å; K478-T482 PolarHBondContact O-OG1 3.47Å
479	K	59.6	Low	61.3	Low	136 Å²	136	88.9 Å²	88.9	59%	0.591	51%	0.506	S	S	*	.	H	α-helix	trans	-61.4	-40.6	176	-81.6	-173.5	174.3	-176.8	0	112.7	M475 A476 T482 S483	M475-K479 PolarHBondContact O-N 2.72Å; A476-K479 PolarHBondContact O-N 3.24Å; K479-T482 PolarHBondContact O-N 3.33Å; K479-S483 WeakPolarHBondContact O-CB 3.23Å; K479-S483 PolarHBondContact O-N 3.5Å
480	L	55.1	Low	62.8	Low	114 Å²	114	84.7 Å²	84.7	60%	0.597	49%	0.485	S	S	*	.	H	α-helix	trans	-65.5	-44.6	178.2	-168.7	72.3	0	0	0	111.6	A476 G477 K478 T482 S483 L484	A476-L480 WeakPolarHBondContact O-CB 3.33Å; A476-L480 PolarHBondContact O-N 3.42Å; G477-L480 PolarHBondContact O-N 3.16Å; K478-L480 VanDerWaalsContact C-N 3.35Å; K478-L480 PolarHBondContact O-N 3.31Å; L480-T482 VanDerWaalsContact C-N 3.31Å; L480-T482 PolarHBondContact O-N 3.44Å; L480-S483 PolarHBondContact O-N 2.84Å; L480-L484 HydrophobicContact CG-CD1 4.14Å; L480-L484 WeakPolarHBondContact O-CG 3.36Å; L480-L484 PolarHBondContact O-N 3.38Å; L480-L484 VanDerWaalsContact O-N 3.09Å
481	R	60.7	Low	64.4	Low	163 Å²	163	78.4 Å²	78.4	62%	0.615	46%	0.463	S	S	*	.	H	α-helix	trans	-60.9	-41	178.1	-131.9	177.7	82	154.9	5.1	112	G477 K478 L484 A486	G477-R481 PolarHBondContact O-N 2.95Å; K478-R481 PolarHBondContact O-N 3.41Å; R481-L484 PolarHBondContact O-N 2.75Å; R481-A486 HydrophobicContact CG-CB 3.99Å; R481-A486 VanDerWaalsContact O-CB 3.32Å; R481-A486 WeakPolarHBondContact O-CB 3.49Å; R481-A486 PolarHBondContact O-N 2.64Å
482	T	59.3	Low	66.1	Low	38 Å²	38	75.8 Å²	75.8	23%	0.233	45%	0.45	C	S	.	.	H	α-helix	trans	-71.2	-36.1	177.3	-45.1	0	0	0	0	112.3	K478 K479 L480 L484 G485 M519	K478-T482 PolarHBondContact O-N 2.98Å; K478-T482 VanDerWaalsContact O-N 3.13Å; K478-T482 PolarHBondContact O-OG1 3.47Å; K479-T482 PolarHBondContact O-N 3.33Å; L480-T482 VanDerWaalsContact C-N 3.31Å; L480-T482 PolarHBondContact O-N 3.44Å; T482-L484 PolarHBondContact O-N 2.93Å; T482-G485 PolarHBondContact O-N 3.44Å; T482-M519 HydrophobicContact CG2-CE 4.15Å; T482-M519 HydrophobicContact CG2-SD 3.57Å; T482-M519 VanDerWaalsContact CG2-SD 3.57Å
483	S	56.2	Low	67.8	Low	103 Å²	103	74.4 Å²	74.4	72%	0.72	44%	0.437	S	S	*	.	H	α-helix	trans	-66.3	-25.1	174.7	-172.5	0	0	0	0	113.3	K479 L480 G485	K479-S483 WeakPolarHBondContact O-CB 3.23Å; K479-S483 PolarHBondContact O-N 3.5Å; L480-S483 PolarHBondContact O-N 2.84Å; S483-G485 VanDerWaalsContact C-N 3.31Å
484	L	51.1	Low	69.1	Low	133 Å²	133	72.9 Å²	72.9	70%	0.696	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	9.7	179.6	-69.3	170.1	0	0	0	113.1	L480 R481 T482 A486	L480-L484 HydrophobicContact CG-CD1 4.14Å; L480-L484 WeakPolarHBondContact O-CG 3.36Å; L480-L484 PolarHBondContact O-N 3.38Å; L480-L484 VanDerWaalsContact O-N 3.09Å; R481-L484 PolarHBondContact O-N 2.75Å; T482-L484 PolarHBondContact O-N 2.93Å; L484-A486 VanDerWaalsContact C-N 3.27Å; L484-A486 PolarHBondContact O-N 2.87Å
485	G	53.7	Low	70.2	Confident	66 Å²	66	78.9 Å²	78.9	68%	0.68	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	19.8	176	0	0	0	0	0	114.5	T482 S483 S487	T482-G485 PolarHBondContact O-N 3.44Å; S483-G485 VanDerWaalsContact C-N 3.31Å; G485-S487 PolarHBondContact O-N 3.04Å
486	A	60.8	Low	71.4	Confident	42 Å²	42	82.6 Å²	82.6	35%	0.347	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-60.9	137.8	175.1	0	0	0	0	0	110.4	R481 L484 V488	R481-A486 HydrophobicContact CG-CB 3.99Å; R481-A486 VanDerWaalsContact O-CB 3.32Å; R481-A486 WeakPolarHBondContact O-CB 3.49Å; R481-A486 PolarHBondContact O-N 2.64Å; L484-A486 VanDerWaalsContact C-N 3.27Å; L484-A486 PolarHBondContact O-N 2.87Å; A486-V488 PolarHBondContact O-N 3.35Å
487	S	66.9	Low	72.8	Confident	98 Å²	98	80.9 Å²	80.9	69%	0.685	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-56	125.8	175.4	55.7	0	0	0	0	110.3	G485	G485-S487 PolarHBondContact O-N 3.04Å
488	V	82.4	Confident	74.4	Confident	31 Å²	31	81.6 Å²	81.6	19%	0.188	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-76.3	127.2	172.7	178.3	0	0	0	0	107.6	A486 L490 E511 N515	A486-V488 PolarHBondContact O-N 3.35Å; V488-L490 HydrophobicContact CG1-CD1 4.35Å; V488-L490 HydrophobicContact CG1-CD2 3.97Å; V488-L490 HydrophobicContact CG1-CG 3.84Å; V488-E511 HydrophobicContact CG1-CB 4.46Å; V488-N515 HydrophobicContact CB-CB 4.46Å; V488-N515 HydrophobicContact CG1-CB 3.73Å; V488-N515 HydrophobicContact CG2-CB 4.03Å
489	D	87	Confident	76.2	Confident	102 Å²	102	76.6 Å²	76.6	55%	0.545	45%	0.447	S	S	.	.			trans	-124.4	115.6	172.4	178.4	3.6	0	0	0	107	G491	D489-G491 WeakPolarHBondContact OD1-CA 3.08Å; D489-G491 PolarHBondContact OD1-N 3.4Å
490	L	89.4	Confident	78	Confident	44 Å²	44	72.6 Å²	72.6	23%	0.23	43%	0.431	C	S	.	.			trans	-108.6	15.6	176.6	-56.1	178.7	0	0	0	110.9	I58 V488 E511 V514	I58-L490 HydrophobicContact CD1-CB 4.24Å; I58-L490 HydrophobicContact CD1-CD1 3.77Å; I58-L490 HydrophobicContact CG1-CB 4.45Å; I58-L490 HydrophobicContact CG1-CD1 3.82Å; V488-L490 HydrophobicContact CG1-CD1 4.35Å; V488-L490 HydrophobicContact CG1-CD2 3.97Å; V488-L490 HydrophobicContact CG1-CG 3.84Å; L490-E511 VanDerWaalsContact C-OE1 3.27Å; L490-E511 WeakPolarHBondContact CA-OE1 3.24Å; L490-E511 HydrophobicContact CB-CB 4.38Å; L490-E511 HydrophobicContact CB-CG 3.96Å; L490-E511 HydrophobicContact CD1-CB 4.14Å; L490-E511 HydrophobicContact CD1-CG 4.42Å; L490-E511 HydrophobicContact CG-CB 4.12Å; L490-E511 HydrophobicContact CG-CG 4.27Å; L490-E511 PolarHBondContact N-OE1 3.48Å; L490-V514 HydrophobicContact CD1-CB 4.15Å; L490-V514 HydrophobicContact CD1-CG1 4.01Å
491	G	91.4	Very high	80	Confident	20 Å²	20	71.7 Å²	71.7	21%	0.206	43%	0.432	C	S	.	.	S	Bend	trans	76.7	21.6	174.1	0	0	0	0	0	114.5	K60 D489 E511	K60-G491 WeakPolarHBondContact CD-O 3.32Å; K60-G491 PolarHBondContact NZ-O 3.39Å; D489-G491 WeakPolarHBondContact OD1-CA 3.08Å; D489-G491 PolarHBondContact OD1-N 3.4Å; G491-E511 PolarHBondContact N-OE1 3.37Å; G491-E511 VanDerWaalsContact N-OE1 3.11Å
492	L	94.8	Very high	81.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	-76.5	-30.9	170.2	-69.8	-171.7	0	0	0	112.3	I58 K60 F64 G497 V498 V499 A507 L510 E511	I58-L492 HydrophobicContact CD1-CD1 3.79Å; I58-L492 HydrophobicContact CD1-CG 4.18Å; I58-L492 HydrophobicContact CG2-CD2 3.97Å; I58-L492 HydrophobicContact CG2-CG 4.48Å; K60-L492 HydrophobicContact CB-CD2 4.18Å; F64-L492 HydrophobicContact CD2-CD2 4.32Å; F64-L492 HydrophobicContact CE2-CD2 3.8Å; F64-L492 HydrophobicContact CZ-CD2 4.25Å; L492-G497 CarbonylContact O-C 3.42Å; L492-G497 VanDerWaalsContact O-CA 3.31Å; L492-G497 WeakPolarHBondContact O-CA 3.46Å; L492-V498 HydrophobicContact CD2-CG2 3.85Å; L492-V498 PolarHBondContact O-N 3.02Å; L492-V499 HydrophobicContact CB-CG2 4.02Å; L492-V499 HydrophobicContact CD2-CG2 4.36Å; L492-V499 WeakPolarHBondContact O-CB 3.24Å; L492-V499 PolarHBondContact O-N 2.79Å; L492-A507 HydrophobicContact CB-CB 4.19Å; L492-A507 HydrophobicContact CD1-CB 4.45Å; L492-L510 HydrophobicContact CD1-CD2 3.74Å; L492-L510 HydrophobicContact CD1-CG 4.29Å; L492-E511 HydrophobicContact CB-CG 4.22Å; L492-E511 WeakPolarHBondContact CB-OE1 3.48Å; L492-E511 HydrophobicContact CD1-CG 3.9Å; L492-E511 HydrophobicContact CG-CG 4.06Å; L492-E511 PolarHBondContact N-OE1 2.91Å
493	T	92.4	Very high	83.6	Confident	18 Å²	18	64.4 Å²	64.4	11%	0.11	41%	0.407	C	S	.	.	S	Bend	trans	-117.4	179.6	-176.4	67.1	0	0	0	0	111.3	G497 E504 A507 K508	T493-G497 WeakPolarHBondContact O-CA 3.48Å; T493-E504 HydrophobicContact CG2-CB 4.44Å; T493-E504 HydrophobicContact CG2-CG 3.8Å; T493-A507 HydrophobicContact CG2-CB 3.43Å; T493-A507 VanDerWaalsContact CG2-CB 3.43Å; T493-K508 HydrophobicContact CG2-CG 4.48Å
494	G	87.8	Confident	85.6	Confident	61 Å²	61	63.2 Å²	63.2	63%	0.629	39%	0.39	S	S	*	.	S	Bend	trans	85	-168	-178.6	0	0	0	0	0	113.9	D496 G497	G494-D496 VanDerWaalsContact C-N 3.3Å; G494-D496 PolarHBondContact O-N 2.91Å; G494-G497 PolarHBondContact O-N 2.87Å
495	K	82.8	Confident	87.7	Confident	212 Å²	212	63 Å²	63	92%	0.922	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.9	-170.7	-171.2	179.2	177.3	-176.4	0	113.6
496	D	85.5	Confident	89.9	Confident	134 Å²	134	60 Å²	60	72%	0.717	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	21.8	177.4	-53.6	-47.6	0	0	0	111.7	K60 G494	K60-D496 PolarHBondContact NZ-O 2.6Å; G494-D496 VanDerWaalsContact C-N 3.3Å; G494-D496 PolarHBondContact O-N 2.91Å
497	G	89.4	Confident	91.7	Very high	27 Å²	27	58 Å²	58	28%	0.278	34%	0.338	S	S	.	.			trans	-68	152.8	176.6	0	0	0	0	0	111.9	L492 T493 G494	L492-G497 CarbonylContact O-C 3.42Å; L492-G497 VanDerWaalsContact O-CA 3.31Å; L492-G497 WeakPolarHBondContact O-CA 3.46Å; T493-G497 WeakPolarHBondContact O-CA 3.48Å; G494-G497 PolarHBondContact O-N 2.87Å
498	V	95.5	Very high	93.1	Very high	53 Å²	53	57.4 Å²	57.4	32%	0.321	32%	0.323	S	S	.	.	S	Bend	trans	-107.6	-11	178.5	-64.7	0	0	0	0	112.7	K60 F64 L492	K60-V498 HydrophobicContact CB-CG2 4.07Å; K60-V498 HydrophobicContact CD-CG1 3.83Å; K60-V498 HydrophobicContact CD-CG2 3.94Å; K60-V498 HydrophobicContact CG-CG1 4.48Å; F64-V498 HydrophobicContact CB-CB 3.82Å; F64-V498 HydrophobicContact CB-CG1 4.36Å; F64-V498 HydrophobicContact CB-CG2 3.75Å; F64-V498 HydrophobicContact CD1-CB 4.24Å; F64-V498 HydrophobicContact CD1-CG2 3.82Å; F64-V498 HydrophobicContact CD2-CG2 3.71Å; F64-V498 HydrophobicContact CE1-CG2 4.33Å; F64-V498 HydrophobicContact CE2-CG2 4.29Å; F64-V498 HydrophobicContact CG-CB 4.03Å; F64-V498 HydrophobicContact CG-CG2 3.49Å; F64-V498 VanDerWaalsContact CG-CG2 3.49Å; L492-V498 HydrophobicContact CD2-CG2 3.85Å; L492-V498 PolarHBondContact O-N 3.02Å
499	V	97.6	Very high	93.8	Very high	13 Å²	13	57 Å²	57	8%	0.079	32%	0.318	C	S	.	.	S	Bend	trans	-93	136.9	176.9	176.5	0	0	0	0	109.4	F64 L492 L503 A507 L556 S560	F64-V499 HydrophobicContact CE1-CG2 3.67Å; F64-V499 HydrophobicContact CZ-CG2 3.88Å; L492-V499 HydrophobicContact CB-CG2 4.02Å; L492-V499 HydrophobicContact CD2-CG2 4.36Å; L492-V499 WeakPolarHBondContact O-CB 3.24Å; L492-V499 PolarHBondContact O-N 2.79Å; V499-L503 HydrophobicContact CG1-CB 3.54Å; V499-L503 HydrophobicContact CG1-CD1 4.44Å; V499-A507 HydrophobicContact CB-CB 4.11Å; V499-A507 HydrophobicContact CG1-CB 3.91Å; V499-A507 HydrophobicContact CG2-CB 4.08Å; V499-L556 HydrophobicContact CG1-CD2 4.39Å; V499-S560 WeakPolarHBondContact CA-OG 3.43Å; V499-S560 WeakPolarHBondContact CG1-OG 3.49Å
500	H	97.8	Very high	94.4	Very high	53 Å²	53	52.1 Å²	52.1	25%	0.245	29%	0.292	C	S	.	.			trans	-63.7	143.3	178.5	-174.5	-93.6	0	0	0	111.5	S502 L503 S560 I563	H500-S502 PolarHBondContact ND1-N 2.83Å; H500-S502 PolarHBondContact ND1-OG 2.99Å; H500-S502 PolarHBondContact O-N 2.98Å; H500-S502 VanDerWaalsContact O-N 3.08Å; H500-L503 PolarHBondContact O-N 2.91Å; H500-S560 PolarHBondContact N-OG 3.38Å; H500-S560 VanDerWaalsContact N-OG 3.11Å; H500-I563 HydrophobicContact CB-CG2 3.65Å; H500-I563 VanDerWaalsContact CE1-CD1 3.5Å; H500-I563 WeakPolarHBondContact CE1-CD1 3.47Å; H500-I563 WeakPolarHBondContact ND1-CG2 3.15Å
501	P	97	Very high	94.8	Very high	95 Å²	95	50.1 Å²	50.1	62%	0.617	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-55	-30.4	-176.2	-30.2	36.7	0	0	0	115.7	L503 E504	P501-L503 PolarHBondContact O-N 3.17Å; P501-L503 VanDerWaalsContact O-N 3.09Å; P501-E504 VanDerWaalsContact O-CB 3.28Å; P501-E504 WeakPolarHBondContact O-CB 3.4Å; P501-E504 PolarHBondContact O-N 3.34Å; P501-E504 VanDerWaalsContact O-N 3.13Å
502	S	97.6	Very high	95	Very high	48 Å²	48	53.2 Å²	53.2	34%	0.336	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64.7	-11.4	175.6	65	0	0	0	0	114.6	H500 N578	H500-S502 PolarHBondContact ND1-N 2.83Å; H500-S502 PolarHBondContact ND1-OG 2.99Å; H500-S502 PolarHBondContact O-N 2.98Å; H500-S502 VanDerWaalsContact O-N 3.08Å; S502-N578 PolarHBondContact O-ND2 2.84Å
503	L	98.4	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-115.6	9.1	179.8	-66	162.7	0	0	0	111.8	V499 H500 P501 E505 S506 A507 L556 A559 S560 V574 A577 N578	V499-L503 HydrophobicContact CG1-CB 3.54Å; V499-L503 HydrophobicContact CG1-CD1 4.44Å; H500-L503 PolarHBondContact O-N 2.91Å; P501-L503 PolarHBondContact O-N 3.17Å; P501-L503 VanDerWaalsContact O-N 3.09Å; L503-E505 VanDerWaalsContact C-N 3.33Å; L503-E505 PolarHBondContact O-N 3.45Å; L503-S506 PolarHBondContact O-N 2.9Å; L503-A507 PolarHBondContact O-N 3.25Å; L503-L556 HydrophobicContact CB-CD2 3.92Å; L503-L556 HydrophobicContact CD2-CD2 4.22Å; L503-L556 HydrophobicContact CG-CD2 4.45Å; L503-A559 HydrophobicContact CD1-CB 3.69Å; L503-A559 HydrophobicContact CD2-CB 4.39Å; L503-S560 WeakPolarHBondContact CD1-OG 3.15Å; L503-V574 HydrophobicContact CD2-CB 4.44Å; L503-V574 HydrophobicContact CD2-CG1 4.02Å; L503-V574 HydrophobicContact CG-CG1 4.36Å; L503-V574 HydrophobicContact CG-CG2 4.44Å; L503-A577 HydrophobicContact CD2-CB 3.85Å; L503-N578 WeakPolarHBondContact CD2-OD1 3.3Å
504	E	97.4	Very high	95.4	Very high	77 Å²	77	52.3 Å²	52.3	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-57.4	-42.4	-172.9	-174.7	-178.2	162.6	0	0	112.7	T493 P501 S506 A507 K508	T493-E504 HydrophobicContact CG2-CB 4.44Å; T493-E504 HydrophobicContact CG2-CG 3.8Å; P501-E504 VanDerWaalsContact O-CB 3.28Å; P501-E504 WeakPolarHBondContact O-CB 3.4Å; P501-E504 PolarHBondContact O-N 3.34Å; P501-E504 VanDerWaalsContact O-N 3.13Å; E504-S506 PolarHBondContact O-N 3.24Å; E504-A507 PolarHBondContact O-N 2.96Å; E504-K508 HydrophobicContact CG-CD 4.44Å; E504-K508 WeakPolarHBondContact O-CG 3.31Å; E504-K508 PolarHBondContact O-N 3.48Å; E504-K508 WeakPolarHBondContact OE1-CE 3.16Å; E504-K508 IonicContact OE1-NZ 2.64Å; E504-K508 PolarHBondContact OE1-NZ 2.86Å
505	E	97.1	Very high	95.8	Very high	130 Å²	130	50.1 Å²	50.1	61%	0.607	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-44.6	179.1	-168.6	-168.1	148.8	0	0	111.7	L503 A507 K508 K509	L503-E505 VanDerWaalsContact C-N 3.33Å; L503-E505 PolarHBondContact O-N 3.45Å; E505-A507 VanDerWaalsContact C-N 3.34Å; E505-K508 PolarHBondContact O-N 3.37Å; E505-K509 WeakPolarHBondContact O-CG 3.37Å; E505-K509 PolarHBondContact O-N 3.48Å; E505-K509 VanDerWaalsContact OE1-CE 3.3Å; E505-K509 WeakPolarHBondContact OE1-CE 3.35Å; E505-K509 IonicContact OE1-NZ 3.63Å; E505-K509 PolarHBondContact OE1-NZ 3.06Å
506	S	98.6	Very high	96.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-34.4	178.5	-68.8	0	0	0	0	112.4	L503 E504 K509 L510 N578	L503-S506 PolarHBondContact O-N 2.9Å; E504-S506 PolarHBondContact O-N 3.24Å; S506-K509 WeakPolarHBondContact O-CB 3.44Å; S506-K509 PolarHBondContact O-N 3.32Å; S506-L510 PolarHBondContact O-N 2.95Å; S506-N578 VanDerWaalsContact CB-OD1 3.32Å; S506-N578 WeakPolarHBondContact CB-OD1 3.45Å; S506-N578 WeakPolarHBondContact OG-CA 3.41Å; S506-N578 PolarHBondContact OG-OD1 3.22Å
507	A	98.2	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-46.3	171.2	0	0	0	0	0	111.7	L492 T493 V499 L503 E504 E505 K509 L510 E511	L492-A507 HydrophobicContact CB-CB 4.19Å; L492-A507 HydrophobicContact CD1-CB 4.45Å; T493-A507 HydrophobicContact CG2-CB 3.43Å; T493-A507 VanDerWaalsContact CG2-CB 3.43Å; V499-A507 HydrophobicContact CB-CB 4.11Å; V499-A507 HydrophobicContact CG1-CB 3.91Å; V499-A507 HydrophobicContact CG2-CB 4.08Å; L503-A507 PolarHBondContact O-N 3.25Å; E504-A507 PolarHBondContact O-N 2.96Å; E505-A507 VanDerWaalsContact C-N 3.34Å; A507-K509 VanDerWaalsContact C-N 3.3Å; A507-K509 PolarHBondContact O-N 3.32Å; A507-L510 WeakPolarHBondContact O-CB 3.29Å; A507-L510 PolarHBondContact O-N 3.11Å; A507-L510 VanDerWaalsContact O-N 3.09Å; A507-E511 WeakPolarHBondContact O-CG 3.26Å; A507-E511 PolarHBondContact O-N 2.92Å
508	K	97.1	Very high	97.3	Very high	85 Å²	85	35.5 Å²	35.5	37%	0.37	19%	0.185	S	C	.	.	H	α-helix	trans	-60.5	-39.6	175.8	-72.6	174.4	-177.1	169.5	0	112	T493 E504 E505 L510 E511 Q512	T493-K508 HydrophobicContact CG2-CG 4.48Å; E504-K508 HydrophobicContact CG-CD 4.44Å; E504-K508 WeakPolarHBondContact O-CG 3.31Å; E504-K508 PolarHBondContact O-N 3.48Å; E504-K508 WeakPolarHBondContact OE1-CE 3.16Å; E504-K508 IonicContact OE1-NZ 2.64Å; E504-K508 PolarHBondContact OE1-NZ 2.86Å; E505-K508 PolarHBondContact O-N 3.37Å; K508-L510 VanDerWaalsContact C-N 3.35Å; K508-L510 PolarHBondContact O-N 3.43Å; K508-E511 PolarHBondContact O-N 2.95Å; K508-Q512 WeakPolarHBondContact O-CB 3.34Å; K508-Q512 VanDerWaalsContact O-CG 3.27Å; K508-Q512 WeakPolarHBondContact O-CG 3.41Å; K508-Q512 PolarHBondContact O-N 2.95Å
509	K	98.1	Very high	97.2	Very high	22 Å²	22	37 Å²	37	10%	0.096	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-44.9	172.9	-77	172.7	-176.5	161.2	0	111.6	E505 S506 A507 N513 M552 N582 F585	E505-K509 WeakPolarHBondContact O-CG 3.37Å; E505-K509 PolarHBondContact O-N 3.48Å; E505-K509 VanDerWaalsContact OE1-CE 3.3Å; E505-K509 WeakPolarHBondContact OE1-CE 3.35Å; E505-K509 IonicContact OE1-NZ 3.63Å; E505-K509 PolarHBondContact OE1-NZ 3.06Å; S506-K509 WeakPolarHBondContact O-CB 3.44Å; S506-K509 PolarHBondContact O-N 3.32Å; A507-K509 VanDerWaalsContact C-N 3.3Å; A507-K509 PolarHBondContact O-N 3.32Å; K509-N513 WeakPolarHBondContact O-CB 3.2Å; K509-N513 PolarHBondContact O-N 2.97Å; K509-M552 HydrophobicContact CB-CE 4.33Å; K509-N582 PolarHBondContact NZ-OD1 2.6Å; K509-F585 HydrophobicContact CB-CB 4.16Å; K509-F585 HydrophobicContact CB-CD2 3.52Å; K509-F585 HydrophobicContact CB-CE2 4.04Å; K509-F585 HydrophobicContact CB-CG 3.92Å; K509-F585 HydrophobicContact CD-CB 4.17Å; K509-F585 HydrophobicContact CD-CD1 4.34Å; K509-F585 HydrophobicContact CD-CG 4.1Å; K509-F585 HydrophobicContact CG-CB 4.32Å; K509-F585 HydrophobicContact CG-CD1 4.24Å; K509-F585 HydrophobicContact CG-CD2 3.77Å; K509-F585 HydrophobicContact CG-CE1 4.49Å; K509-F585 HydrophobicContact CG-CE2 4.06Å; K509-F585 HydrophobicContact CG-CG 3.86Å; K509-F585 HydrophobicContact CG-CZ 4.4Å; K509-F585 WeakPolarHBondContact O-CD2 3.34Å
510	L	98.4	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-49.2	174.5	176.1	60.4	0	0	0	111.5	I58 L492 S506 A507 K508 Q512 N513 V514 L549 M552 T553 L556	I58-L510 HydrophobicContact CD1-CD2 4.4Å; I58-L510 HydrophobicContact CD1-CG 4.19Å; L492-L510 HydrophobicContact CD1-CD2 3.74Å; L492-L510 HydrophobicContact CD1-CG 4.29Å; S506-L510 PolarHBondContact O-N 2.95Å; A507-L510 WeakPolarHBondContact O-CB 3.29Å; A507-L510 PolarHBondContact O-N 3.11Å; A507-L510 VanDerWaalsContact O-N 3.09Å; K508-L510 VanDerWaalsContact C-N 3.35Å; K508-L510 PolarHBondContact O-N 3.43Å; L510-Q512 VanDerWaalsContact C-N 3.33Å; L510-Q512 PolarHBondContact O-N 3.45Å; L510-N513 PolarHBondContact O-N 3.24Å; L510-V514 HydrophobicContact CD1-CG2 3.74Å; L510-V514 HydrophobicContact CG-CG2 4.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.49Å; L510-V514 PolarHBondContact O-N 3.36Å; L510-L549 HydrophobicContact CD1-CB 4.4Å; L510-L549 HydrophobicContact CD1-CD2 4.07Å; L510-M552 HydrophobicContact CB-CE 3.96Å; L510-M552 HydrophobicContact CD1-CB 3.96Å; L510-M552 HydrophobicContact CD1-CE 4.45Å; L510-M552 HydrophobicContact CD1-SD 4.31Å; L510-T553 WeakPolarHBondContact CD2-OG1 3.37Å; L510-L556 HydrophobicContact CB-CD1 4.08Å; L510-L556 HydrophobicContact CD2-CD1 3.7Å
511	E	97.3	Very high	97.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-43.5	-179	-65.5	-179.3	135.3	0	0	112.4	I58 V488 L490 G491 L492 A507 K508 V514 N515	I58-E511 HydrophobicContact CD1-CG 4.23Å; V488-E511 HydrophobicContact CG1-CB 4.46Å; L490-E511 VanDerWaalsContact C-OE1 3.27Å; L490-E511 WeakPolarHBondContact CA-OE1 3.24Å; L490-E511 HydrophobicContact CB-CB 4.38Å; L490-E511 HydrophobicContact CB-CG 3.96Å; L490-E511 HydrophobicContact CD1-CB 4.14Å; L490-E511 HydrophobicContact CD1-CG 4.42Å; L490-E511 HydrophobicContact CG-CB 4.12Å; L490-E511 HydrophobicContact CG-CG 4.27Å; L490-E511 PolarHBondContact N-OE1 3.48Å; G491-E511 PolarHBondContact N-OE1 3.37Å; G491-E511 VanDerWaalsContact N-OE1 3.11Å; L492-E511 HydrophobicContact CB-CG 4.22Å; L492-E511 WeakPolarHBondContact CB-OE1 3.48Å; L492-E511 HydrophobicContact CD1-CG 3.9Å; L492-E511 HydrophobicContact CG-CG 4.06Å; L492-E511 PolarHBondContact N-OE1 2.91Å; A507-E511 WeakPolarHBondContact O-CG 3.26Å; A507-E511 PolarHBondContact O-N 2.92Å; K508-E511 PolarHBondContact O-N 2.95Å; E511-V514 PolarHBondContact O-N 3.03Å; E511-N515 WeakPolarHBondContact O-CB 3.44Å; E511-N515 PolarHBondContact O-N 3.14Å
512	Q	96.6	Very high	97.1	Very high	85 Å²	85	32.9 Å²	32.9	40%	0.397	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-49	175.1	-73	175	-0.2	0	0	111.9	K508 L510 N515 L516 F585	K508-Q512 WeakPolarHBondContact O-CB 3.34Å; K508-Q512 VanDerWaalsContact O-CG 3.27Å; K508-Q512 WeakPolarHBondContact O-CG 3.41Å; K508-Q512 PolarHBondContact O-N 2.95Å; L510-Q512 VanDerWaalsContact C-N 3.33Å; L510-Q512 PolarHBondContact O-N 3.45Å; Q512-N515 PolarHBondContact O-N 3.38Å; Q512-L516 WeakPolarHBondContact O-CB 3.47Å; Q512-L516 PolarHBondContact O-N 3.44Å; Q512-F585 HydrophobicContact CB-CE2 4.19Å
513	N	97.8	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-43.5	178.1	-95.6	-161.2	0	0	0	112.6	K509 L510 L516 F517 L549 F585 N588 N589	K509-N513 WeakPolarHBondContact O-CB 3.2Å; K509-N513 PolarHBondContact O-N 2.97Å; L510-N513 PolarHBondContact O-N 3.24Å; N513-L516 PolarHBondContact O-N 3.45Å; N513-F517 WeakPolarHBondContact O-CB 3.42Å; N513-F517 PolarHBondContact O-N 2.81Å; N513-L549 HydrophobicContact CB-CD2 3.61Å; N513-F585 WeakPolarHBondContact ND2-CD2 3.5Å; N513-F585 VanDerWaalsContact ND2-CE2 3.33Å; N513-F585 WeakPolarHBondContact ND2-CE2 3.39Å; N513-F585 WeakPolarHBondContact OD1-CA 3.35Å; N513-N588 WeakPolarHBondContact OD1-CB 3.33Å; N513-N588 PolarHBondContact OD1-ND2 3.5Å; N513-N589 PolarHBondContact ND2-OD1 3.31Å
514	V	98.2	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-45.1	177.8	170.5	0	0	0	0	110.9	L53 G56 I58 L490 L510 E511 F517 G518 L549	L53-V514 HydrophobicContact CD2-CG1 3.99Å; L53-V514 HydrophobicContact CD2-CG2 3.82Å; G56-V514 WeakPolarHBondContact CA-O 3.45Å; I58-V514 HydrophobicContact CD1-CB 4.28Å; I58-V514 HydrophobicContact CD1-CG1 4.43Å; I58-V514 HydrophobicContact CD1-CG2 3.97Å; I58-V514 HydrophobicContact CG1-CB 4.26Å; I58-V514 HydrophobicContact CG1-CG1 3.88Å; I58-V514 HydrophobicContact CG1-CG2 4.08Å; L490-V514 HydrophobicContact CD1-CB 4.15Å; L490-V514 HydrophobicContact CD1-CG1 4.01Å; L510-V514 HydrophobicContact CD1-CG2 3.74Å; L510-V514 HydrophobicContact CG-CG2 4.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.49Å; L510-V514 PolarHBondContact O-N 3.36Å; E511-V514 PolarHBondContact O-N 3.03Å; V514-F517 PolarHBondContact O-N 3Å; V514-G518 PolarHBondContact O-N 3.4Å; V514-L549 HydrophobicContact CG2-CD1 4.19Å; V514-L549 HydrophobicContact CG2-CD2 4.15Å
515	N	95.1	Very high	96.8	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.08	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-45	177.5	176.2	79.4	0	0	0	112.1	V488 E511 Q512 F517 G518 M519	V488-N515 HydrophobicContact CB-CB 4.46Å; V488-N515 HydrophobicContact CG1-CB 3.73Å; V488-N515 HydrophobicContact CG2-CB 4.03Å; E511-N515 WeakPolarHBondContact O-CB 3.44Å; E511-N515 PolarHBondContact O-N 3.14Å; Q512-N515 PolarHBondContact O-N 3.38Å; N515-F517 VanDerWaalsContact C-N 3.33Å; N515-F517 PolarHBondContact O-N 3.38Å; N515-G518 PolarHBondContact O-N 3.43Å; N515-M519 WeakPolarHBondContact O-CG 3.21Å; N515-M519 PolarHBondContact O-N 3.35Å; N515-M519 VanDerWaalsContact O-N 3.14Å
516	L	95.3	Very high	96.6	Very high	60 Å²	60	34.9 Å²	34.9	31%	0.314	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-37.6	177.1	-176.8	57.7	0	0	0	112	Q512 N513 M519 T520 M592	Q512-L516 WeakPolarHBondContact O-CB 3.47Å; Q512-L516 PolarHBondContact O-N 3.44Å; N513-L516 PolarHBondContact O-N 3.45Å; L516-M519 PolarHBondContact O-N 3.44Å; L516-T520 WeakPolarHBondContact O-CB 3.37Å; L516-T520 PolarHBondContact O-N 2.87Å; L516-T520 PolarHBondContact O-OG1 3.39Å; L516-M592 HydrophobicContact CB-CE 4.13Å; L516-M592 HydrophobicContact CB-SD 3.95Å; L516-M592 HydrophobicContact CD2-CB 4.45Å; L516-M592 HydrophobicContact CD2-CE 3.55Å; L516-M592 HydrophobicContact CD2-SD 3.94Å; L516-M592 HydrophobicContact CG-CE 3.88Å; L516-M592 HydrophobicContact CG-SD 3.61Å
517	F	98.2	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-47	175.8	178.9	-110.1	0	0	0	111.4	L53 F54 N513 V514 N515 M519 T520 V521 V542 V545 L546 L549 M592	L53-F517 WeakPolarHBondContact O-CD1 3.12Å; F54-F517 HydrophobicContact CD1-CE1 4.05Å; F54-F517 HydrophobicContact CD1-CZ 4.05Å; F54-F517 HydrophobicContact CD2-CE1 4.27Å; F54-F517 HydrophobicContact CE1-CE1 4.31Å; F54-F517 AromaticContact CE1-CZ 3.91Å; F54-F517 HydrophobicContact CE1-CZ 3.91Å; F54-F517 HydrophobicContact CG-CE1 4.02Å; F54-F517 HydrophobicContact CG-CZ 4.44Å; F54-F517 HydrophobicContact CZ-CZ 4.18Å; N513-F517 WeakPolarHBondContact O-CB 3.42Å; N513-F517 PolarHBondContact O-N 2.81Å; V514-F517 PolarHBondContact O-N 3Å; N515-F517 VanDerWaalsContact C-N 3.33Å; N515-F517 PolarHBondContact O-N 3.38Å; F517-M519 VanDerWaalsContact C-N 3.33Å; F517-M519 PolarHBondContact O-N 2.94Å; F517-T520 WeakPolarHBondContact O-CB 3.28Å; F517-T520 PolarHBondContact O-N 3.33Å; F517-T520 VanDerWaalsContact O-N 3.09Å; F517-V521 HydrophobicContact CD1-CG2 4.3Å; F517-V521 HydrophobicContact CD2-CG2 4.42Å; F517-V521 HydrophobicContact CE1-CG2 3.92Å; F517-V521 HydrophobicContact CE2-CG2 4.07Å; F517-V521 HydrophobicContact CZ-CG2 3.81Å; F517-V521 WeakPolarHBondContact O-CG2 3.46Å; F517-V521 PolarHBondContact O-N 3.21Å; F517-V542 HydrophobicContact CE2-CG1 3.98Å; F517-V542 HydrophobicContact CZ-CG1 3.95Å; F517-V545 HydrophobicContact CB-CG1 4.36Å; F517-V545 HydrophobicContact CD2-CB 4.03Å; F517-V545 HydrophobicContact CD2-CG1 3.43Å; F517-V545 VanDerWaalsContact CD2-CG1 3.43Å; F517-V545 HydrophobicContact CE2-CB 4.06Å; F517-V545 HydrophobicContact CE2-CG1 3.93Å; F517-V545 HydrophobicContact CG-CG1 4.08Å; F517-L546 HydrophobicContact CE1-CD1 3.74Å; F517-L546 HydrophobicContact CZ-CB 4.13Å; F517-L546 HydrophobicContact CZ-CD1 4.11Å; F517-L549 HydrophobicContact CB-CD1 3.95Å; F517-L549 HydrophobicContact CD1-CD1 3.78Å; F517-L549 HydrophobicContact CE1-CD1 4.43Å; F517-L549 HydrophobicContact CG-CD1 3.84Å; F517-M592 HydrophobicContact CB-SD 4.04Å
518	G	96.5	Very high	96.3	Very high	4 Å²	4	40.8 Å²	40.8	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-42.3	175.5	0	0	0	0	0	113	V514 N515 T520 V521 E522	V514-G518 PolarHBondContact O-N 3.4Å; N515-G518 PolarHBondContact O-N 3.43Å; G518-T520 VanDerWaalsContact C-N 3.35Å; G518-T520 PolarHBondContact O-N 3.37Å; G518-V521 PolarHBondContact O-N 3.09Å; G518-E522 PolarHBondContact O-N 3.22Å
519	M	94	Very high	96.1	Very high	86 Å²	86	38.6 Å²	38.6	42%	0.424	19%	0.19	S	C	.	.	H	α-helix	trans	-64	-39.8	174.1	-68.9	172.6	61.2	0	0	112.6	T482 N515 L516 F517 E522 S523	T482-M519 HydrophobicContact CG2-CE 4.15Å; T482-M519 HydrophobicContact CG2-SD 3.57Å; T482-M519 VanDerWaalsContact CG2-SD 3.57Å; N515-M519 WeakPolarHBondContact O-CG 3.21Å; N515-M519 PolarHBondContact O-N 3.35Å; N515-M519 VanDerWaalsContact O-N 3.14Å; L516-M519 PolarHBondContact O-N 3.44Å; F517-M519 VanDerWaalsContact C-N 3.33Å; F517-M519 PolarHBondContact O-N 2.94Å; M519-E522 PolarHBondContact O-N 2.97Å; M519-S523 WeakPolarHBondContact O-CB 3.34Å; M519-S523 PolarHBondContact O-N 3.11Å
520	T	96.5	Very high	95.8	Very high	16 Å²	16	47.2 Å²	47.2	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-45.3	177.1	-59	0	0	0	0	110.4	L516 F517 G518 E522 S523 L524 L595	L516-T520 WeakPolarHBondContact O-CB 3.37Å; L516-T520 PolarHBondContact O-N 2.87Å; L516-T520 PolarHBondContact O-OG1 3.39Å; F517-T520 WeakPolarHBondContact O-CB 3.28Å; F517-T520 PolarHBondContact O-N 3.33Å; F517-T520 VanDerWaalsContact O-N 3.09Å; G518-T520 VanDerWaalsContact C-N 3.35Å; G518-T520 PolarHBondContact O-N 3.37Å; T520-E522 PolarHBondContact O-N 2.84Å; T520-S523 WeakPolarHBondContact O-CB 3.44Å; T520-S523 PolarHBondContact O-N 3.25Å; T520-L524 HydrophobicContact CG2-CD1 4.09Å; T520-L524 HydrophobicContact CG2-CG 4.41Å; T520-L524 VanDerWaalsContact O-CG 3.27Å; T520-L524 WeakPolarHBondContact O-CG 3.39Å; T520-L524 PolarHBondContact O-N 3.4Å; T520-L595 HydrophobicContact CG2-CB 3.8Å; T520-L595 HydrophobicContact CG2-CD1 3.86Å; T520-L595 HydrophobicContact CG2-CG 4.48Å
521	V	97.5	Very high	95.7	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-49	174.4	162.7	0	0	0	0	111.4	F54 M450 A453 F517 G518 S523 L524 L525	F54-V521 HydrophobicContact CB-CG1 4.38Å; F54-V521 HydrophobicContact CD1-CG1 4.14Å; F54-V521 HydrophobicContact CD1-CG2 3.67Å; F54-V521 HydrophobicContact CE1-CG2 4.33Å; F54-V521 HydrophobicContact CG-CG2 4.47Å; F54-V521 WeakPolarHBondContact O-CG1 3.41Å; M450-V521 HydrophobicContact CE-CG1 4.17Å; M450-V521 HydrophobicContact SD-CB 4.16Å; M450-V521 HydrophobicContact SD-CG1 3.59Å; M450-V521 VanDerWaalsContact SD-CG1 3.59Å; M450-V521 HydrophobicContact SD-CG2 3.9Å; A453-V521 HydrophobicContact CB-CG1 3.87Å; F517-V521 HydrophobicContact CD1-CG2 4.3Å; F517-V521 HydrophobicContact CD2-CG2 4.42Å; F517-V521 HydrophobicContact CE1-CG2 3.92Å; F517-V521 HydrophobicContact CE2-CG2 4.07Å; F517-V521 HydrophobicContact CZ-CG2 3.81Å; F517-V521 WeakPolarHBondContact O-CG2 3.46Å; F517-V521 PolarHBondContact O-N 3.21Å; G518-V521 PolarHBondContact O-N 3.09Å; V521-S523 VanDerWaalsContact C-N 3.33Å; V521-S523 PolarHBondContact O-N 3.2Å; V521-L524 PolarHBondContact O-N 3.49Å; V521-L525 HydrophobicContact CG1-CD1 4.03Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 3.49Å
522	E	94.4	Very high	95.6	Very high	56 Å²	56	50.4 Å²	50.4	26%	0.262	25%	0.249	S	C	.	.	H	α-helix	trans	-58.6	-43.7	176.1	-74.7	-174.3	179.5	0	0	111.9	G518 M519 T520 L525 Y526	G518-E522 PolarHBondContact O-N 3.22Å; M519-E522 PolarHBondContact O-N 2.97Å; T520-E522 PolarHBondContact O-N 2.84Å; E522-L525 PolarHBondContact O-N 3.43Å; E522-Y526 WeakPolarHBondContact O-CB 3.36Å; E522-Y526 PolarHBondContact O-N 3Å
523	S	95.4	Very high	95.6	Very high	57 Å²	57	49.6 Å²	49.6	40%	0.399	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-43.2	177.2	-173.1	0	0	0	0	112.3	M519 T520 V521 Y526 R527	M519-S523 WeakPolarHBondContact O-CB 3.34Å; M519-S523 PolarHBondContact O-N 3.11Å; T520-S523 WeakPolarHBondContact O-CB 3.44Å; T520-S523 PolarHBondContact O-N 3.25Å; V521-S523 VanDerWaalsContact C-N 3.33Å; V521-S523 PolarHBondContact O-N 3.2Å; S523-Y526 PolarHBondContact O-N 2.98Å; S523-R527 WeakPolarHBondContact O-CB 3.47Å; S523-R527 PolarHBondContact O-N 3.41Å
524	L	96.9	Very high	95.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-43.5	178.5	-69.1	172.8	0	0	0	111.6	M450 T520 V521 Y526 R527 Y528 I532 V538 V542 L595	M450-L524 HydrophobicContact CE-CB 3.83Å; M450-L524 HydrophobicContact CE-CD1 4.5Å; T520-L524 HydrophobicContact CG2-CD1 4.09Å; T520-L524 HydrophobicContact CG2-CG 4.41Å; T520-L524 VanDerWaalsContact O-CG 3.27Å; T520-L524 WeakPolarHBondContact O-CG 3.39Å; T520-L524 PolarHBondContact O-N 3.4Å; V521-L524 PolarHBondContact O-N 3.49Å; L524-Y526 VanDerWaalsContact C-N 3.32Å; L524-Y526 PolarHBondContact O-N 2.84Å; L524-R527 PolarHBondContact O-N 2.99Å; L524-Y528 HydrophobicContact CD2-CD2 4.17Å; L524-Y528 HydrophobicContact CD2-CE2 3.77Å; L524-Y528 WeakPolarHBondContact O-CD2 3.4Å; L524-Y528 PolarHBondContact O-N 3.18Å; L524-I532 HydrophobicContact CB-CD1 4.16Å; L524-V538 HydrophobicContact CD1-CG1 4.03Å; L524-V538 HydrophobicContact CD2-CG1 3.77Å; L524-V542 HydrophobicContact CD1-CG2 3.59Å; L524-L595 HydrophobicContact CD1-CD1 4.45Å; L524-L595 HydrophobicContact CD1-CD2 4.28Å
525	L	95.3	Very high	95.5	Very high	24 Å²	24	57.5 Å²	57.5	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-39	175.4	-72.9	173.1	0	0	0	111.9	M450 A453 V521 E522 G529	M450-L525 HydrophobicContact CB-CD2 4.35Å; M450-L525 HydrophobicContact CE-CD1 4.46Å; M450-L525 HydrophobicContact CE-CD2 3.73Å; M450-L525 HydrophobicContact CE-CG 3.6Å; A453-L525 HydrophobicContact CB-CD1 3.99Å; V521-L525 HydrophobicContact CG1-CD1 4.03Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 3.49Å; E522-L525 PolarHBondContact O-N 3.43Å; L525-G529 VanDerWaalsContact O-CA 3.25Å; L525-G529 WeakPolarHBondContact O-CA 3.41Å; L525-G529 PolarHBondContact O-N 3.48Å
526	Y	93.4	Very high	95.6	Very high	215 Å²	215	62.8 Å²	62.8	84%	0.843	32%	0.315	S	S	*	.	H	α-helix	trans	-66.4	-39.7	174.3	-176.6	-95.6	0	0	0	112.2	E522 S523 L524	E522-Y526 WeakPolarHBondContact O-CB 3.36Å; E522-Y526 PolarHBondContact O-N 3Å; S523-Y526 PolarHBondContact O-N 2.98Å; L524-Y526 VanDerWaalsContact C-N 3.32Å; L524-Y526 PolarHBondContact O-N 2.84Å
527	R	94.4	Very high	95.7	Very high	72 Å²	72	62.3 Å²	62.3	27%	0.272	31%	0.312	S	S	.	.	H	α-helix	trans	-71.8	-46.9	-177.1	-170.6	-174.7	-51.7	161.8	12.3	113	S523 L524 L595	S523-R527 WeakPolarHBondContact O-CB 3.47Å; S523-R527 PolarHBondContact O-N 3.41Å; L524-R527 PolarHBondContact O-N 2.99Å; R527-L595 PolarHBondContact NH1-O 3.07Å; R527-L595 VanDerWaalsContact NH1-O 3.14Å; R527-L595 PolarHBondContact NH2-O 3.47Å
528	Y	95.7	Very high	95.7	Very high	55 Å²	55	62.4 Å²	62.4	22%	0.216	31%	0.313	C	S	.	.	H	α-helix	trans	-106.4	-24	-170.3	-63.6	-73.7	0	0	0	113.3	L524 K530 S531 I532 E535	L524-Y528 HydrophobicContact CD2-CD2 4.17Å; L524-Y528 HydrophobicContact CD2-CE2 3.77Å; L524-Y528 WeakPolarHBondContact O-CD2 3.4Å; L524-Y528 PolarHBondContact O-N 3.18Å; Y528-K530 PolarHBondContact O-N 3.43Å; Y528-K530 VanDerWaalsContact O-N 3.15Å; Y528-S531 PolarHBondContact O-N 3.49Å; Y528-S531 PolarHBondContact O-OG 3.06Å; Y528-I532 HydrophobicContact CD2-CG1 4.42Å; Y528-E535 HydrophobicContact CD1-CG 3.72Å; Y528-E535 HydrophobicContact CE1-CG 3.66Å; Y528-E535 HydrophobicContact CG-CG 4.28Å
529	G	93	Very high	95.8	Very high	38 Å²	38	62.2 Å²	62.2	39%	0.392	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	52.6	-123.4	-175.7	0	0	0	0	0	111.7	L525 I532	L525-G529 VanDerWaalsContact O-CA 3.25Å; L525-G529 WeakPolarHBondContact O-CA 3.41Å; L525-G529 PolarHBondContact O-N 3.48Å; G529-I532 WeakPolarHBondContact O-CG2 3.21Å
530	K	92.4	Very high	96.1	Very high	203 Å²	203	62.3 Å²	62.3	88%	0.883	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-74.6	-24.7	-179.7	-67.5	-176.4	179.5	179.6	0	113.9	Y528 I532 V533	Y528-K530 PolarHBondContact O-N 3.43Å; Y528-K530 VanDerWaalsContact O-N 3.15Å; K530-I532 PolarHBondContact O-N 2.95Å; K530-V533 WeakPolarHBondContact O-CG1 3.48Å
531	S	96.2	Very high	96.2	Very high	58 Å²	58	62.8 Å²	62.8	41%	0.406	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-76.8	-1.3	-178.5	70.3	0	0	0	0	113.1	Y528 V533 D534	Y528-S531 PolarHBondContact O-N 3.49Å; Y528-S531 PolarHBondContact O-OG 3.06Å; S531-V533 PolarHBondContact O-N 3.41Å; S531-V533 VanDerWaalsContact O-N 3.1Å; S531-D534 PolarHBondContact O-N 2.97Å
532	I	95.8	Very high	96.2	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.056	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.2	-25.5	175.9	-162	172.1	0	0	0	112.4	M450 L524 Y528 G529 K530 D534 E535 L539	M450-I532 HydrophobicContact CE-CD1 3.19Å; M450-I532 HydrophobicContact CG-CD1 4.38Å; L524-I532 HydrophobicContact CB-CD1 4.16Å; Y528-I532 HydrophobicContact CD2-CG1 4.42Å; G529-I532 WeakPolarHBondContact O-CG2 3.21Å; K530-I532 PolarHBondContact O-N 2.95Å; I532-D534 PolarHBondContact O-N 3.46Å; I532-E535 PolarHBondContact O-N 2.97Å; I532-L539 HydrophobicContact CD1-CD2 4.33Å; I532-L539 HydrophobicContact CG1-CD2 4.15Å; I532-L539 WeakPolarHBondContact O-CD1 3.29Å
533	V	95.6	Very high	96.4	Very high	68 Å²	68	60.1 Å²	60.1	41%	0.412	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-57.1	-27.6	176	65.4	0	0	0	0	113.3	L447 K530 S531	L447-V533 HydrophobicContact CD1-CG2 4.19Å; L447-V533 HydrophobicContact CD2-CB 4.24Å; L447-V533 HydrophobicContact CD2-CG2 4.24Å; K530-V533 WeakPolarHBondContact O-CG1 3.48Å; S531-V533 PolarHBondContact O-N 3.41Å; S531-V533 VanDerWaalsContact O-N 3.1Å
534	D	96.1	Very high	96.6	Very high	117 Å²	117	58.8 Å²	58.8	63%	0.626	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-88	-12.1	-179.4	-54.3	-48.3	0	0	0	112.5	S531 I532 Q536	S531-D534 PolarHBondContact O-N 2.97Å; I532-D534 PolarHBondContact O-N 3.46Å; D534-Q536 VanDerWaalsContact C-N 3.33Å; D534-Q536 PolarHBondContact O-N 2.68Å; D534-Q536 VanDerWaalsContact O-N 3.09Å
535	E	97.3	Very high	96.7	Very high	50 Å²	50	58.7 Å²	58.7	23%	0.234	28%	0.284	C	S	.	.			trans	-90.2	61.4	-175.3	-61	-63.7	171	0	0	112	Y528 I532 L537 V538 L539	Y528-E535 HydrophobicContact CD1-CG 3.72Å; Y528-E535 HydrophobicContact CE1-CG 3.66Å; Y528-E535 HydrophobicContact CG-CG 4.28Å; I532-E535 PolarHBondContact O-N 2.97Å; E535-L537 VanDerWaalsContact C-N 3.33Å; E535-L537 PolarHBondContact O-N 3Å; E535-V538 HydrophobicContact CB-CB 3.97Å; E535-V538 HydrophobicContact CB-CG2 4.08Å; E535-V538 WeakPolarHBondContact O-CB 3.28Å; E535-V538 PolarHBondContact O-N 3.15Å; E535-V538 VanDerWaalsContact O-N 3.09Å; E535-L539 WeakPolarHBondContact O-CG 3.36Å; E535-L539 PolarHBondContact O-N 3.31Å
536	Q	97.9	Very high	96.9	Very high	126 Å²	126	57.6 Å²	57.6	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-58.5	-38	-171.4	-61.9	-167.9	-1.6	0	0	114.3	M443 D534 L539 K540	M443-Q536 HydrophobicContact CE-CB 4.39Å; M443-Q536 HydrophobicContact CE-CG 3.81Å; M443-Q536 HydrophobicContact SD-CB 4.01Å; M443-Q536 HydrophobicContact SD-CG 4.02Å; D534-Q536 VanDerWaalsContact C-N 3.33Å; D534-Q536 PolarHBondContact O-N 2.68Å; D534-Q536 VanDerWaalsContact O-N 3.09Å; Q536-L539 PolarHBondContact O-N 3.4Å; Q536-K540 WeakPolarHBondContact O-CB 3.45Å; Q536-K540 PolarHBondContact O-N 2.96Å
537	L	98.2	Very high	97.1	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-40	178.5	-62.3	179.1	0	0	0	111.1	E535 K540 R541 D604 I607	E535-L537 VanDerWaalsContact C-N 3.33Å; E535-L537 PolarHBondContact O-N 3Å; L537-K540 WeakPolarHBondContact O-CB 3.34Å; L537-K540 PolarHBondContact O-N 3.31Å; L537-R541 VanDerWaalsContact C-CZ 3.46Å; L537-R541 VanDerWaalsContact CB-NH2 3.35Å; L537-R541 PolarHBondContact O-N 3.32Å; L537-R541 PolarHBondContact O-NH1 2.86Å; L537-R541 PolarHBondContact O-NH2 3.44Å; L537-R541 VanDerWaalsContact O-NH2 3.1Å; L537-D604 WeakPolarHBondContact CB-OD1 3.43Å; L537-D604 HydrophobicContact CD1-CB 3.91Å; L537-D604 WeakPolarHBondContact CD1-OD1 3.39Å; L537-I607 HydrophobicContact CD1-CG2 4.29Å
538	V	98.3	Very high	97.3	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.024	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-49.7	173.5	173.8	0	0	0	0	109.7	L524 E535 K540 R541 V542 L595	L524-V538 HydrophobicContact CD1-CG1 4.03Å; L524-V538 HydrophobicContact CD2-CG1 3.77Å; E535-V538 HydrophobicContact CB-CB 3.97Å; E535-V538 HydrophobicContact CB-CG2 4.08Å; E535-V538 WeakPolarHBondContact O-CB 3.28Å; E535-V538 PolarHBondContact O-N 3.15Å; E535-V538 VanDerWaalsContact O-N 3.09Å; V538-K540 VanDerWaalsContact C-N 3.32Å; V538-K540 PolarHBondContact O-N 3.01Å; V538-R541 PolarHBondContact O-N 3.24Å; V538-V542 WeakPolarHBondContact O-CG2 3.49Å; V538-V542 PolarHBondContact O-N 2.92Å; V538-L595 HydrophobicContact CB-CD2 4.2Å; V538-L595 HydrophobicContact CG1-CD2 3.6Å
539	L	98.6	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-37.3	179.5	-70.5	170.3	0	0	0	112.6	M443 A446 L447 M450 I532 E535 Q536 R541 V542 A543	M443-L539 HydrophobicContact CE-CB 4.31Å; M443-L539 HydrophobicContact CE-CD1 3.35Å; M443-L539 HydrophobicContact CE-CG 4.48Å; M443-L539 HydrophobicContact SD-CB 3.8Å; M443-L539 HydrophobicContact SD-CD1 3.99Å; A446-L539 HydrophobicContact CB-CB 3.96Å; A446-L539 HydrophobicContact CB-CD2 3.7Å; A446-L539 HydrophobicContact CB-CG 4.43Å; A446-L539 WeakPolarHBondContact CB-O 3.41Å; L447-L539 HydrophobicContact CD2-CD1 3.7Å; L447-L539 HydrophobicContact CD2-CD2 4.06Å; L447-L539 HydrophobicContact CG-CD1 4.03Å; L447-L539 HydrophobicContact CG-CD2 4.45Å; M450-L539 HydrophobicContact CG-CD2 4.39Å; I532-L539 HydrophobicContact CD1-CD2 4.33Å; I532-L539 HydrophobicContact CG1-CD2 4.15Å; I532-L539 WeakPolarHBondContact O-CD1 3.29Å; E535-L539 WeakPolarHBondContact O-CG 3.36Å; E535-L539 PolarHBondContact O-N 3.31Å; Q536-L539 PolarHBondContact O-N 3.4Å; L539-R541 PolarHBondContact O-N 2.85Å; L539-V542 PolarHBondContact O-N 3.31Å; L539-A543 PolarHBondContact O-N 3.41Å
540	K	98.6	Very high	97.8	Very high	88 Å²	88	41 Å²	41	38%	0.383	21%	0.205	S	C	.	.	H	α-helix	trans	-56.3	-51	172.5	-177.1	-166.7	176	-69.1	0	111	Q536 L537 V538 V542 A543 D544	Q536-K540 WeakPolarHBondContact O-CB 3.45Å; Q536-K540 PolarHBondContact O-N 2.96Å; L537-K540 WeakPolarHBondContact O-CB 3.34Å; L537-K540 PolarHBondContact O-N 3.31Å; V538-K540 VanDerWaalsContact C-N 3.32Å; V538-K540 PolarHBondContact O-N 3.01Å; K540-V542 VanDerWaalsContact C-N 3.35Å; K540-V542 PolarHBondContact O-N 2.8Å; K540-A543 PolarHBondContact O-N 3.22Å; K540-D544 IonicContact NZ-OD2 2.93Å; K540-D544 PolarHBondContact NZ-OD2 3.46Å; K540-D544 PolarHBondContact O-N 2.89Å
541	R	98.7	Very high	98.1	Very high	26 Å²	26	31.4 Å²	31.4	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-38.1	178.3	-84.5	175.2	-67.5	-69.5	4.9	112.5	L537 V538 L539 A543 D544 V545 L595 D604	L537-R541 VanDerWaalsContact C-CZ 3.46Å; L537-R541 VanDerWaalsContact CB-NH2 3.35Å; L537-R541 PolarHBondContact O-N 3.32Å; L537-R541 PolarHBondContact O-NH1 2.86Å; L537-R541 PolarHBondContact O-NH2 3.44Å; L537-R541 VanDerWaalsContact O-NH2 3.1Å; V538-R541 PolarHBondContact O-N 3.24Å; L539-R541 PolarHBondContact O-N 2.85Å; R541-A543 VanDerWaalsContact C-N 3.34Å; R541-D544 PolarHBondContact O-N 3.05Å; R541-V545 WeakPolarHBondContact O-CG2 3.4Å; R541-V545 PolarHBondContact O-N 2.93Å; R541-L595 HydrophobicContact CB-CD1 4.25Å; R541-L595 HydrophobicContact CB-CD2 3.96Å; R541-L595 HydrophobicContact CB-CG 4.23Å; R541-D604 IonicContact CZ-OD1 3.92Å; R541-D604 IonicContact CZ-OD2 2.7Å; R541-D604 IonicContact NH1-OD1 2.9Å; R541-D604 IonicContact NH2-OD1 3.61Å; R541-D604 PolarHBondContact NH2-OD1 3.13Å; R541-D604 IonicContact NH2-OD2 2.75Å; R541-D604 PolarHBondContact NH2-OD2 3.3Å
542	V	98.8	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-45.5	173.5	169.8	0	0	0	0	111	F54 A446 M450 F517 L524 V538 L539 K540 L546 L595	F54-V542 HydrophobicContact CE1-CG1 3.78Å; F54-V542 HydrophobicContact CZ-CG1 4.32Å; A446-V542 HydrophobicContact CB-CB 4.29Å; A446-V542 HydrophobicContact CB-CG1 4.06Å; M450-V542 HydrophobicContact SD-CG1 4.47Å; F517-V542 HydrophobicContact CE2-CG1 3.98Å; F517-V542 HydrophobicContact CZ-CG1 3.95Å; L524-V542 HydrophobicContact CD1-CG2 3.59Å; V538-V542 WeakPolarHBondContact O-CG2 3.49Å; V538-V542 PolarHBondContact O-N 2.92Å; L539-V542 PolarHBondContact O-N 3.31Å; K540-V542 VanDerWaalsContact C-N 3.35Å; K540-V542 PolarHBondContact O-N 2.8Å; V542-L546 PolarHBondContact O-N 3.43Å; V542-L546 VanDerWaalsContact O-N 3.09Å; V542-L595 HydrophobicContact CG2-CD1 4.04Å; V542-L595 HydrophobicContact CG2-CD2 4.34Å
543	A	98.8	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-44.3	176.8	0	0	0	0	0	112.4	R442 V445 A446 L539 K540 R541 V545 L546 I547	R442-A543 HydrophobicContact CB-CB 3.69Å; R442-A543 HydrophobicContact CG-CB 3.84Å; R442-A543 WeakPolarHBondContact O-CB 3.43Å; V445-A543 HydrophobicContact CB-CB 4.34Å; V445-A543 HydrophobicContact CG1-CB 4.16Å; A446-A543 HydrophobicContact CB-CB 4.24Å; L539-A543 PolarHBondContact O-N 3.41Å; K540-A543 PolarHBondContact O-N 3.22Å; R541-A543 VanDerWaalsContact C-N 3.34Å; A543-V545 VanDerWaalsContact C-N 3.33Å; A543-V545 PolarHBondContact O-N 3.3Å; A543-L546 PolarHBondContact O-N 2.92Å; A543-I547 WeakPolarHBondContact O-CB 3.47Å; A543-I547 WeakPolarHBondContact O-CD1 3.4Å; A543-I547 VanDerWaalsContact O-CG1 3.24Å; A543-I547 WeakPolarHBondContact O-CG1 3.48Å; A543-I547 PolarHBondContact O-N 3.5Å
544	D	98.9	Very high	98.5	Very high	29 Å²	29	24.9 Å²	24.9	16%	0.155	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-43.3	178.3	-72.7	-28.3	0	0	0	111.6	R442 K540 R541 N548	R442-D544 IonicContact CZ-OD1 2.8Å; R442-D544 IonicContact NE-OD1 3.22Å; R442-D544 PolarHBondContact NE-OD1 2.71Å; R442-D544 IonicContact NH2-OD1 3.98Å; R442-D544 PolarHBondContact NH2-OD1 3.01Å; R442-D544 VanDerWaalsContact NH2-OD1 3.12Å; K540-D544 IonicContact NZ-OD2 2.93Å; K540-D544 PolarHBondContact NZ-OD2 3.46Å; K540-D544 PolarHBondContact O-N 2.89Å; R541-D544 PolarHBondContact O-N 3.05Å; D544-N548 PolarHBondContact O-N 3.1Å; D544-N548 PolarHBondContact O-ND2 2.78Å
545	V	98.9	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.5	-50.5	174.3	175.1	0	0	0	0	110.3	F517 R541 A543 I547 N548 L549 N588 M592	F517-V545 HydrophobicContact CB-CG1 4.36Å; F517-V545 HydrophobicContact CD2-CB 4.03Å; F517-V545 HydrophobicContact CD2-CG1 3.43Å; F517-V545 VanDerWaalsContact CD2-CG1 3.43Å; F517-V545 HydrophobicContact CE2-CB 4.06Å; F517-V545 HydrophobicContact CE2-CG1 3.93Å; F517-V545 HydrophobicContact CG-CG1 4.08Å; R541-V545 WeakPolarHBondContact O-CG2 3.4Å; R541-V545 PolarHBondContact O-N 2.93Å; A543-V545 VanDerWaalsContact C-N 3.33Å; A543-V545 PolarHBondContact O-N 3.3Å; V545-I547 VanDerWaalsContact C-N 3.34Å; V545-I547 PolarHBondContact O-N 3Å; V545-N548 WeakPolarHBondContact O-CB 3.27Å; V545-N548 PolarHBondContact O-N 3.49Å; V545-N548 VanDerWaalsContact O-N 3.15Å; V545-L549 HydrophobicContact CG1-CD1 4.17Å; V545-L549 HydrophobicContact CG1-CG 4.27Å; V545-L549 WeakPolarHBondContact O-CG 3.03Å; V545-L549 PolarHBondContact O-N 2.89Å; V545-N588 HydrophobicContact CG1-CB 4.35Å; V545-M592 HydrophobicContact CG1-CG 4.45Å; V545-M592 HydrophobicContact CG1-SD 4.38Å; V545-M592 HydrophobicContact CG2-CG 4.2Å
546	L	98.7	Very high	98.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.6	-42.5	-179.1	-171.4	79.6	0	0	0	112.8	L53 F54 M390 V445 F517 V542 A543 N548 L549 Y550	L53-L546 HydrophobicContact CB-CD1 3.73Å; L53-L546 HydrophobicContact CD1-CD1 3.87Å; L53-L546 HydrophobicContact CG-CD1 4.44Å; F54-L546 HydrophobicContact CD2-CD1 4Å; F54-L546 HydrophobicContact CD2-CD2 4.39Å; F54-L546 HydrophobicContact CE2-CD1 3.67Å; F54-L546 HydrophobicContact CE2-CD2 3.35Å; F54-L546 HydrophobicContact CE2-CG 4.06Å; F54-L546 HydrophobicContact CZ-CD1 4.36Å; F54-L546 HydrophobicContact CZ-CD2 3.8Å; M390-L546 HydrophobicContact CE-CD2 4.42Å; M390-L546 HydrophobicContact SD-CB 4.39Å; M390-L546 HydrophobicContact SD-CD2 3.61Å; M390-L546 HydrophobicContact SD-CG 3.68Å; V445-L546 HydrophobicContact CG1-CB 4.5Å; V445-L546 HydrophobicContact CG1-CD2 3.37Å; F517-L546 HydrophobicContact CE1-CD1 3.74Å; F517-L546 HydrophobicContact CZ-CB 4.13Å; F517-L546 HydrophobicContact CZ-CD1 4.11Å; V542-L546 PolarHBondContact O-N 3.43Å; V542-L546 VanDerWaalsContact O-N 3.09Å; A543-L546 PolarHBondContact O-N 2.92Å; L546-N548 VanDerWaalsContact C-N 3.29Å; L546-N548 PolarHBondContact O-N 2.99Å; L546-L549 PolarHBondContact O-N 3.32Å; L546-L549 VanDerWaalsContact O-N 3.14Å; L546-Y550 PolarHBondContact O-N 3.47Å
547	I	98.9	Very high	98.8	Very high	6 Å²	6	11 Å²	11	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-56.2	-46.8	176.3	-72.2	162.3	0	0	0	110.2	M390 V393 F394 R442 A543 V545 Y550 A551	M390-I547 HydrophobicContact CB-CG1 3.95Å; M390-I547 HydrophobicContact CG-CG1 3.65Å; M390-I547 HydrophobicContact SD-CG1 4.29Å; V393-I547 HydrophobicContact CB-CD1 4.01Å; V393-I547 HydrophobicContact CG1-CD1 3.7Å; F394-I547 HydrophobicContact CB-CG2 3.87Å; F394-I547 HydrophobicContact CD2-CG2 3.8Å; F394-I547 HydrophobicContact CG-CG2 4.31Å; R442-I547 HydrophobicContact CG-CD1 4.44Å; A543-I547 WeakPolarHBondContact O-CB 3.47Å; A543-I547 WeakPolarHBondContact O-CD1 3.4Å; A543-I547 VanDerWaalsContact O-CG1 3.24Å; A543-I547 WeakPolarHBondContact O-CG1 3.48Å; A543-I547 PolarHBondContact O-N 3.5Å; V545-I547 VanDerWaalsContact C-N 3.34Å; V545-I547 PolarHBondContact O-N 3Å; I547-Y550 PolarHBondContact O-N 2.88Å; I547-A551 WeakPolarHBondContact O-CB 3.32Å; I547-A551 PolarHBondContact O-N 3.02Å
548	N	98.9	Very high	98.8	Very high	27 Å²	27	10.8 Å²	10.8	14%	0.144	5%	0.048	C	C	.	.	H	α-helix	trans	-64.2	-40.3	176.8	-70.5	-24	0	0	0	112.2	D544 V545 L546 Y550 A551 M552 A584 N588	D544-N548 PolarHBondContact O-N 3.1Å; D544-N548 PolarHBondContact O-ND2 2.78Å; V545-N548 WeakPolarHBondContact O-CB 3.27Å; V545-N548 PolarHBondContact O-N 3.49Å; V545-N548 VanDerWaalsContact O-N 3.15Å; L546-N548 VanDerWaalsContact C-N 3.29Å; L546-N548 PolarHBondContact O-N 2.99Å; N548-Y550 VanDerWaalsContact C-N 3.35Å; N548-Y550 PolarHBondContact O-N 3.49Å; N548-A551 PolarHBondContact O-N 3.33Å; N548-M552 WeakPolarHBondContact O-CB 3.39Å; N548-M552 WeakPolarHBondContact O-CG 3.45Å; N548-M552 PolarHBondContact O-N 3.4Å; N548-A584 HydrophobicContact CB-CB 4.36Å; N548-N588 WeakPolarHBondContact CB-OD1 3.45Å; N548-N588 PolarHBondContact ND2-OD1 2.72Å
549	L	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.8	-44.7	176.4	-60.9	177.5	0	0	0	111.4	L53 L510 N513 V514 F517 V545 L546 M552 T553	L53-L549 HydrophobicContact CD1-CB 4.01Å; L510-L549 HydrophobicContact CD1-CB 4.4Å; L510-L549 HydrophobicContact CD1-CD2 4.07Å; N513-L549 HydrophobicContact CB-CD2 3.61Å; V514-L549 HydrophobicContact CG2-CD1 4.19Å; V514-L549 HydrophobicContact CG2-CD2 4.15Å; F517-L549 HydrophobicContact CB-CD1 3.95Å; F517-L549 HydrophobicContact CD1-CD1 3.78Å; F517-L549 HydrophobicContact CE1-CD1 4.43Å; F517-L549 HydrophobicContact CG-CD1 3.84Å; V545-L549 HydrophobicContact CG1-CD1 4.17Å; V545-L549 HydrophobicContact CG1-CG 4.27Å; V545-L549 WeakPolarHBondContact O-CG 3.03Å; V545-L549 PolarHBondContact O-N 2.89Å; L546-L549 PolarHBondContact O-N 3.32Å; L546-L549 VanDerWaalsContact O-N 3.14Å; L549-M552 PolarHBondContact O-N 3.02Å; L549-T553 PolarHBondContact O-N 3.49Å; L549-T553 PolarHBondContact O-OG1 3.38Å; L549-T553 VanDerWaalsContact O-OG1 3.1Å
550	Y	98.8	Very high	98.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.6	-40.9	177.6	-175.5	-120.5	0	0	0	112.1	Y49 M368 L371 T372 E387 M390 V391 L546 I547 N548 T553 A554	Y49-Y550 AromaticContact CD1-CD2 3.98Å; Y49-Y550 HydrophobicContact CD1-CD2 3.98Å; Y49-Y550 HydrophobicContact CD1-CE2 4.14Å; Y49-Y550 AromaticContact CE1-CD2 3.88Å; Y49-Y550 HydrophobicContact CE1-CD2 3.88Å; Y49-Y550 HydrophobicContact CE1-CE2 4.34Å; M368-Y550 HydrophobicContact CB-CE1 4.2Å; M368-Y550 HydrophobicContact CE-CD1 3.55Å; M368-Y550 HydrophobicContact CE-CE1 4.15Å; M368-Y550 HydrophobicContact CG-CD1 4.42Å; M368-Y550 HydrophobicContact CG-CE1 4.42Å; L371-Y550 HydrophobicContact CD2-CE2 3.88Å; T372-Y550 PolarHBondContact OG1-OH 2.75Å; E387-Y550 HydrophobicContact CB-CE1 4.11Å; E387-Y550 HydrophobicContact CB-CE2 4.41Å; E387-Y550 HydrophobicContact CG-CD2 4.36Å; E387-Y550 HydrophobicContact CG-CE1 4.32Å; E387-Y550 HydrophobicContact CG-CE2 3.77Å; M390-Y550 HydrophobicContact CB-CD1 4.21Å; M390-Y550 VanDerWaalsContact CE-CB 3.5Å; M390-Y550 HydrophobicContact CE-CD1 3.68Å; M390-Y550 HydrophobicContact CE-CD2 4.07Å; M390-Y550 HydrophobicContact CE-CE1 4.48Å; M390-Y550 HydrophobicContact CE-CG 3.46Å; M390-Y550 VanDerWaalsContact CE-CG 3.46Å; M390-Y550 HydrophobicContact SD-CD1 4.44Å; M390-Y550 HydrophobicContact SD-CG 4.27Å; V391-Y550 HydrophobicContact CG2-CE1 4.16Å; L546-Y550 PolarHBondContact O-N 3.47Å; I547-Y550 PolarHBondContact O-N 2.88Å; N548-Y550 VanDerWaalsContact C-N 3.35Å; N548-Y550 PolarHBondContact O-N 3.49Å; Y550-T553 WeakPolarHBondContact O-CB 3.32Å; Y550-T553 PolarHBondContact O-N 3.2Å; Y550-A554 PolarHBondContact O-N 3.36Å
551	A	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.6	-44.2	174.4	0	0	0	0	0	112.3	V364 M368 F394 I547 N548 T553 A554 V555 F580	V364-A551 HydrophobicContact CG1-CB 3.7Å; M368-A551 HydrophobicContact CE-CB 4.17Å; M368-A551 HydrophobicContact CG-CB 4.31Å; M368-A551 HydrophobicContact SD-CB 3.65Å; F394-A551 HydrophobicContact CE2-CB 4.31Å; I547-A551 WeakPolarHBondContact O-CB 3.32Å; I547-A551 PolarHBondContact O-N 3.02Å; N548-A551 PolarHBondContact O-N 3.33Å; A551-T553 PolarHBondContact O-N 2.94Å; A551-A554 PolarHBondContact O-N 3.02Å; A551-V555 WeakPolarHBondContact O-CG2 3.4Å; A551-V555 PolarHBondContact O-N 3.1Å; A551-V555 VanDerWaalsContact O-N 3.1Å; A551-F580 HydrophobicContact CB-CE1 3.6Å; A551-F580 HydrophobicContact CB-CZ 3.45Å; A551-F580 VanDerWaalsContact CB-CZ 3.45Å
552	M	98.9	Very high	98.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-59.9	-45.4	175.8	-72.9	172.5	79.4	0	0	110.8	K509 L510 N548 L549 A554 V555 L556 F580 C581 A584	K509-M552 HydrophobicContact CB-CE 4.33Å; L510-M552 HydrophobicContact CB-CE 3.96Å; L510-M552 HydrophobicContact CD1-CB 3.96Å; L510-M552 HydrophobicContact CD1-CE 4.45Å; L510-M552 HydrophobicContact CD1-SD 4.31Å; N548-M552 WeakPolarHBondContact O-CB 3.39Å; N548-M552 WeakPolarHBondContact O-CG 3.45Å; N548-M552 PolarHBondContact O-N 3.4Å; L549-M552 PolarHBondContact O-N 3.02Å; M552-A554 PolarHBondContact O-N 3.47Å; M552-V555 VanDerWaalsContact O-CG2 3.3Å; M552-V555 WeakPolarHBondContact O-CG2 3.21Å; M552-L556 WeakPolarHBondContact O-CB 3.41Å; M552-L556 WeakPolarHBondContact O-CG 3.19Å; M552-L556 PolarHBondContact O-N 3.18Å; M552-F580 HydrophobicContact CG-CD1 4.39Å; M552-F580 HydrophobicContact CG-CE1 3.94Å; M552-C581 HydrophobicContact CE-CB 4.04Å; M552-A584 HydrophobicContact CG-CB 3.83Å; M552-A584 HydrophobicContact SD-CB 3.81Å
553	T	98.8	Very high	98.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.7	-63.5	0	0	0	0	112.1	Y49 V63 F64 L510 L549 Y550 A551 V555 L556 S557	Y49-T553 HydrophobicContact CE1-CG2 3.92Å; Y49-T553 HydrophobicContact CE2-CG2 4.42Å; Y49-T553 WeakPolarHBondContact OH-CB 3.37Å; Y49-T553 WeakPolarHBondContact OH-CG2 3.32Å; Y49-T553 PolarHBondContact OH-OG1 2.8Å; V63-T553 HydrophobicContact CB-CG2 3.88Å; V63-T553 HydrophobicContact CG1-CG2 4.23Å; V63-T553 HydrophobicContact CG2-CG2 3.63Å; F64-T553 HydrophobicContact CE2-CG2 4.24Å; L510-T553 WeakPolarHBondContact CD2-OG1 3.37Å; L549-T553 PolarHBondContact O-N 3.49Å; L549-T553 PolarHBondContact O-OG1 3.38Å; L549-T553 VanDerWaalsContact O-OG1 3.1Å; Y550-T553 WeakPolarHBondContact O-CB 3.32Å; Y550-T553 PolarHBondContact O-N 3.2Å; A551-T553 PolarHBondContact O-N 2.94Å; T553-V555 PolarHBondContact O-N 2.66Å; T553-L556 PolarHBondContact O-N 2.84Å; T553-S557 VanDerWaalsContact O-CB 3.3Å; T553-S557 WeakPolarHBondContact O-CB 3.43Å; T553-S557 PolarHBondContact O-N 3.49Å
554	A	98.8	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.4	-46.6	-176.8	0	0	0	0	0	112.1	M368 L371 Y550 A551 M552 S557 R558	M368-A554 HydrophobicContact CB-CB 4.41Å; M368-A554 HydrophobicContact CG-CB 3.83Å; L371-A554 HydrophobicContact CD2-CB 3.87Å; Y550-A554 PolarHBondContact O-N 3.36Å; A551-A554 PolarHBondContact O-N 3.02Å; M552-A554 PolarHBondContact O-N 3.47Å; A554-S557 PolarHBondContact O-N 3.36Å; A554-R558 WeakPolarHBondContact O-CB 3.48Å; A554-R558 PolarHBondContact O-N 2.99Å
555	V	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.2	-37.3	179	-62.7	0	0	0	0	112.8	F363 V364 A551 M552 T553 A559 A577 F580	F363-V555 HydrophobicContact CD1-CB 4.35Å; F363-V555 HydrophobicContact CD1-CG1 3.79Å; F363-V555 HydrophobicContact CE1-CB 3.79Å; F363-V555 HydrophobicContact CE1-CG1 3.73Å; V364-V555 HydrophobicContact CB-CG1 4.13Å; V364-V555 HydrophobicContact CG1-CG1 4.31Å; V364-V555 HydrophobicContact CG2-CG1 3.62Å; A551-V555 WeakPolarHBondContact O-CG2 3.4Å; A551-V555 PolarHBondContact O-N 3.1Å; A551-V555 VanDerWaalsContact O-N 3.1Å; M552-V555 VanDerWaalsContact O-CG2 3.3Å; M552-V555 WeakPolarHBondContact O-CG2 3.21Å; T553-V555 PolarHBondContact O-N 2.66Å; V555-A559 WeakPolarHBondContact O-CB 3.3Å; V555-A559 PolarHBondContact O-N 3.32Å; V555-A577 HydrophobicContact CB-CB 4.01Å; V555-A577 HydrophobicContact CG2-CB 4.1Å; V555-F580 HydrophobicContact CG2-CD1 3.89Å
556	L	98.9	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-42.9	176.2	-75.1	171.7	0	0	0	111.3	F64 V499 L503 L510 M552 T553 S560	F64-L556 HydrophobicContact CE1-CB 4.48Å; F64-L556 HydrophobicContact CZ-CB 4.29Å; V499-L556 HydrophobicContact CG1-CD2 4.39Å; L503-L556 HydrophobicContact CB-CD2 3.92Å; L503-L556 HydrophobicContact CD2-CD2 4.22Å; L503-L556 HydrophobicContact CG-CD2 4.45Å; L510-L556 HydrophobicContact CB-CD1 4.08Å; L510-L556 HydrophobicContact CD2-CD1 3.7Å; M552-L556 WeakPolarHBondContact O-CB 3.41Å; M552-L556 WeakPolarHBondContact O-CG 3.19Å; M552-L556 PolarHBondContact O-N 3.18Å; T553-L556 PolarHBondContact O-N 2.84Å; L556-S560 WeakPolarHBondContact O-CB 3.34Å; L556-S560 PolarHBondContact O-N 2.94Å; L556-S560 PolarHBondContact O-OG 2.85Å
557	S	98.8	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-50.5	177	-178.4	0	0	0	0	111.5	V63 Y66 T553 A554 S560 R561	V63-S557 WeakPolarHBondContact O-CB 3.17Å; V63-S557 PolarHBondContact O-OG 3.22Å; Y66-S557 WeakPolarHBondContact CA-OG 2.86Å; Y66-S557 WeakPolarHBondContact CB-OG 3.4Å; Y66-S557 PolarHBondContact N-OG 3.02Å; Y66-S557 VanDerWaalsContact N-OG 3.14Å; T553-S557 VanDerWaalsContact O-CB 3.3Å; T553-S557 WeakPolarHBondContact O-CB 3.43Å; T553-S557 PolarHBondContact O-N 3.49Å; A554-S557 PolarHBondContact O-N 3.36Å; S557-S560 PolarHBondContact O-N 3.42Å; S557-R561 WeakPolarHBondContact O-CB 3.2Å; S557-R561 PolarHBondContact O-N 2.97Å
558	R	98.7	Very high	98	Very high	46 Å²	46	31.9 Å²	31.9	17%	0.174	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-52.6	179	-176.8	-176.1	172.3	168.9	4.1	112.3	Y66 F363 E366 S367 A554 S560 R561 S562 E573	Y66-R558 HydrophobicContact CD2-CB 3.68Å; Y66-R558 VanDerWaalsContact CD2-N 3.34Å; Y66-R558 HydrophobicContact CE2-CB 3.69Å; Y66-R558 HydrophobicContact CE2-CG 4.4Å; Y66-R558 HydrophobicContact CG-CB 4.16Å; F363-R558 HydrophobicContact CE2-CG 4.38Å; F363-R558 VanDerWaalsContact CE2-CZ 3.47Å; F363-R558 VanDerWaalsContact CE2-NE 3.31Å; F363-R558 HydrophobicContact CZ-CG 4.36Å; F363-R558 PolarHBondContact O-NH1 3.11Å; E366-R558 IonicContact OE2-CZ 2.84Å; E366-R558 IonicContact OE2-NH1 2.83Å; E366-R558 PolarHBondContact OE2-NH1 2.94Å; E366-R558 IonicContact OE2-NH2 2.69Å; E366-R558 PolarHBondContact OE2-NH2 2.94Å; S367-R558 WeakPolarHBondContact OG-CD 3.18Å; S367-R558 PolarHBondContact OG-NH1 3.21Å; A554-R558 WeakPolarHBondContact O-CB 3.48Å; A554-R558 PolarHBondContact O-N 2.99Å; R558-S560 VanDerWaalsContact C-N 3.33Å; R558-S560 PolarHBondContact O-N 3.38Å; R558-R561 PolarHBondContact O-N 2.82Å; R558-S562 WeakPolarHBondContact O-CB 3.13Å; R558-S562 PolarHBondContact O-N 3.48Å; R558-E573 IonicContact NE-OE2 3.81Å; R558-E573 PolarHBondContact NE-OE2 3.3Å
559	A	98.8	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-37.2	-176.1	0	0	0	0	0	111.5	F363 L503 V555 S562 I563 E573 A577	F363-A559 HydrophobicContact CZ-CB 4.42Å; L503-A559 HydrophobicContact CD1-CB 3.69Å; L503-A559 HydrophobicContact CD2-CB 4.39Å; V555-A559 WeakPolarHBondContact O-CB 3.3Å; V555-A559 PolarHBondContact O-N 3.32Å; A559-S562 PolarHBondContact O-N 3.37Å; A559-I563 VanDerWaalsContact O-CG2 3.31Å; A559-I563 WeakPolarHBondContact O-CG2 3.47Å; A559-I563 PolarHBondContact O-N 3.44Å; A559-E573 HydrophobicContact CB-CB 4.34Å; A559-A577 HydrophobicContact CB-CB 3.81Å
560	S	98.6	Very high	97.9	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-44.3	173.7	-63.6	0	0	0	0	111.8	V499 H500 L503 L556 S557 R558 I563 S564	V499-S560 WeakPolarHBondContact CA-OG 3.43Å; V499-S560 WeakPolarHBondContact CG1-OG 3.49Å; H500-S560 PolarHBondContact N-OG 3.38Å; H500-S560 VanDerWaalsContact N-OG 3.11Å; L503-S560 WeakPolarHBondContact CD1-OG 3.15Å; L556-S560 WeakPolarHBondContact O-CB 3.34Å; L556-S560 PolarHBondContact O-N 2.94Å; L556-S560 PolarHBondContact O-OG 2.85Å; S557-S560 PolarHBondContact O-N 3.42Å; R558-S560 VanDerWaalsContact C-N 3.33Å; R558-S560 PolarHBondContact O-N 3.38Å; S560-I563 WeakPolarHBondContact O-CG2 3.41Å; S560-S564 WeakPolarHBondContact O-CB 3.21Å; S560-S564 PolarHBondContact O-N 2.91Å; S560-S564 PolarHBondContact O-OG 3.14Å
561	R	98	Very high	97.8	Very high	57 Å²	57	43.3 Å²	43.3	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-48.5	174.7	-178.6	-88.3	178.3	-176.6	1.5	110.8	E68 S557 R558 I563 S564 I565 L567	E68-R561 VanDerWaalsContact CD-NE 3.31Å; E68-R561 WeakPolarHBondContact OE1-CG 3.33Å; E68-R561 IonicContact OE1-CZ 2.75Å; E68-R561 IonicContact OE1-NE 3.9Å; E68-R561 PolarHBondContact OE1-NE 3.42Å; E68-R561 IonicContact OE1-NH2 2.7Å; E68-R561 PolarHBondContact OE1-NH2 3.38Å; E68-R561 IonicContact OE2-CZ 3.12Å; E68-R561 IonicContact OE2-NE 3.49Å; E68-R561 IonicContact OE2-NH2 2.71Å; E68-R561 PolarHBondContact OE2-NH2 2.97Å; S557-R561 WeakPolarHBondContact O-CB 3.2Å; S557-R561 PolarHBondContact O-N 2.97Å; R558-R561 PolarHBondContact O-N 2.82Å; R561-I563 PolarHBondContact O-N 3.39Å; R561-S564 PolarHBondContact O-N 2.8Å; R561-I565 VanDerWaalsContact NH1-CD1 3.31Å; R561-I565 VanDerWaalsContact NH2-CD1 3.29Å; R561-I565 WeakPolarHBondContact O-CG1 3.37Å; R561-I565 PolarHBondContact O-N 2.96Å; R561-I565 VanDerWaalsContact O-N 3.09Å; R561-L567 VanDerWaalsContact NH1-CD1 3.31Å
562	S	98.3	Very high	97.8	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-49.5	-177.1	-178.4	0	0	0	0	112.4	R558 A559 G566 L567 E573	R558-S562 WeakPolarHBondContact O-CB 3.13Å; R558-S562 PolarHBondContact O-N 3.48Å; A559-S562 PolarHBondContact O-N 3.37Å; S562-G566 PolarHBondContact O-N 2.78Å; S562-L567 PolarHBondContact O-N 3.19Å; S562-L567 WeakPolarHBondContact OG-CB 3.33Å; S562-E573 WeakPolarHBondContact CB-OE1 3.44Å; S562-E573 WeakPolarHBondContact CB-OE2 3.37Å; S562-E573 PolarHBondContact OG-OE1 2.91Å
563	I	97.9	Very high	97.8	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.138	25%	0.25	C	S	.	.	H	α-helix	trans	-70.7	-37.7	177.7	-169.9	162.2	0	0	0	112.5	H500 A559 S560 R561 I565 G566 H570 V574	H500-I563 HydrophobicContact CB-CG2 3.65Å; H500-I563 VanDerWaalsContact CE1-CD1 3.5Å; H500-I563 WeakPolarHBondContact CE1-CD1 3.47Å; H500-I563 WeakPolarHBondContact ND1-CG2 3.15Å; A559-I563 VanDerWaalsContact O-CG2 3.31Å; A559-I563 WeakPolarHBondContact O-CG2 3.47Å; A559-I563 PolarHBondContact O-N 3.44Å; S560-I563 WeakPolarHBondContact O-CG2 3.41Å; R561-I563 PolarHBondContact O-N 3.39Å; I563-I565 VanDerWaalsContact C-N 3.27Å; I563-I565 PolarHBondContact O-N 3.26Å; I563-G566 PolarHBondContact O-N 3.09Å; I563-G566 VanDerWaalsContact O-N 3.15Å; I563-H570 HydrophobicContact CB-CB 4.06Å; I563-H570 HydrophobicContact CG1-CB 4.49Å; I563-V574 HydrophobicContact CB-CG2 4.32Å; I563-V574 HydrophobicContact CD1-CG2 3.99Å; I563-V574 HydrophobicContact CG2-CG2 4.47Å
564	S	96.9	Very high	97.8	Very high	82 Å²	82	49.9 Å²	49.9	57%	0.573	26%	0.255	S	S	*	.	H	α-helix	trans	-65.5	-30.9	-177.8	-61.2	0	0	0	0	112.7	S560 R561	S560-S564 WeakPolarHBondContact O-CB 3.21Å; S560-S564 PolarHBondContact O-N 2.91Å; S560-S564 PolarHBondContact O-OG 3.14Å; R561-S564 PolarHBondContact O-N 2.8Å
565	I	96.1	Very high	97.8	Very high	89 Å²	89	54.7 Å²	54.7	46%	0.456	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	1.4	176.7	73.8	145.8	0	0	0	113.6	R561 I563 L567	R561-I565 VanDerWaalsContact NH1-CD1 3.31Å; R561-I565 VanDerWaalsContact NH2-CD1 3.29Å; R561-I565 WeakPolarHBondContact O-CG1 3.37Å; R561-I565 PolarHBondContact O-N 2.96Å; R561-I565 VanDerWaalsContact O-N 3.09Å; I563-I565 VanDerWaalsContact C-N 3.27Å; I563-I565 PolarHBondContact O-N 3.26Å; I565-L567 HydrophobicContact CD1-CD1 4.49Å; I565-L567 HydrophobicContact CD1-CD2 3.64Å; I565-L567 HydrophobicContact CD1-CG 3.73Å; I565-L567 HydrophobicContact CG1-CD2 4.27Å; I565-L567 HydrophobicContact CG1-CG 3.89Å
566	G	96.2	Very high	97.8	Very high	51 Å²	51	55.5 Å²	55.5	53%	0.526	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	40	176.9	0	0	0	0	0	115.1	S562 I563	S562-G566 PolarHBondContact O-N 2.78Å; I563-G566 PolarHBondContact O-N 3.09Å; I563-G566 VanDerWaalsContact O-N 3.15Å
567	L	95.6	Very high	97.8	Very high	65 Å²	65	55.5 Å²	55.5	34%	0.34	28%	0.284	S	S	.	.			trans	-64	149.2	174.8	-75	-170	0	0	0	112.4	R561 S562 I565 N569 H570	R561-L567 VanDerWaalsContact NH1-CD1 3.31Å; S562-L567 PolarHBondContact O-N 3.19Å; S562-L567 WeakPolarHBondContact OG-CB 3.33Å; I565-L567 HydrophobicContact CD1-CD1 4.49Å; I565-L567 HydrophobicContact CD1-CD2 3.64Å; I565-L567 HydrophobicContact CD1-CG 3.73Å; I565-L567 HydrophobicContact CG1-CD2 4.27Å; I565-L567 HydrophobicContact CG1-CG 3.89Å; L567-N569 PolarHBondContact O-N 3.41Å; L567-H570 WeakPolarHBondContact O-CB 3.42Å; L567-H570 PolarHBondContact O-CD2 3.4Å; L567-H570 PolarHBondContact O-N 3.3Å; L567-H570 VanDerWaalsContact O-N 3.12Å
568	R	95.2	Very high	97.8	Very high	220 Å²	220	57.5 Å²	57.5	83%	0.83	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	132.7	173.4	-175	-180	177.8	-178.2	0.4	110.3	H570	R568-H570 VanDerWaalsContact C-N 3.29Å; R568-H570 PolarHBondContact O-N 3.28Å
569	N	96.3	Very high	97.8	Very high	110 Å²	110	57.8 Å²	57.8	59%	0.588	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	22.1	-179.3	-49.8	-32.7	0	0	0	114.9	L567 D571 H572 E573	L567-N569 PolarHBondContact O-N 3.41Å; N569-D571 PolarHBondContact O-N 2.93Å; N569-D571 VanDerWaalsContact O-N 3.09Å; N569-H572 HydrophobicContact CB-CB 4.43Å; N569-H572 WeakPolarHBondContact O-CB 3.35Å; N569-H572 PolarHBondContact O-N 3.48Å; N569-E573 PolarHBondContact O-N 3.04Å
570	H	97.6	Very high	97.8	Very high	49 Å²	49	58.9 Å²	58.9	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-52.6	-32.3	176.2	59.4	64.1	0	0	0	113.3	I563 L567 R568 H572 E573 V574	I563-H570 HydrophobicContact CB-CB 4.06Å; I563-H570 HydrophobicContact CG1-CB 4.49Å; L567-H570 WeakPolarHBondContact O-CB 3.42Å; L567-H570 PolarHBondContact O-CD2 3.4Å; L567-H570 PolarHBondContact O-N 3.3Å; L567-H570 VanDerWaalsContact O-N 3.12Å; R568-H570 VanDerWaalsContact C-N 3.29Å; R568-H570 PolarHBondContact O-N 3.28Å; H570-H572 VanDerWaalsContact C-N 3.27Å; H570-H572 PolarHBondContact O-N 3.28Å; H570-E573 PolarHBondContact O-N 3.09Å; H570-V574 WeakPolarHBondContact O-CG2 3.43Å; H570-V574 PolarHBondContact O-N 3.41Å
571	D	98.3	Very high	97.8	Very high	108 Å²	108	58.7 Å²	58.7	58%	0.578	31%	0.305	S	S	*	.	H	α-helix	trans	-64	-33.7	177.3	-66.9	-26.4	0	0	0	112.4	N569 V574 L575	N569-D571 PolarHBondContact O-N 2.93Å; N569-D571 VanDerWaalsContact O-N 3.09Å; D571-V574 PolarHBondContact O-N 3.24Å; D571-L575 PolarHBondContact O-N 3.49Å
572	H	98.4	Very high	97.9	Very high	98 Å²	98	58.4 Å²	58.4	45%	0.454	31%	0.308	S	S	.	.	H	α-helix	trans	-71.9	-38.9	174.8	-168	60.9	0	0	0	111.2	N569 H570 V574 L575 L576	N569-H572 HydrophobicContact CB-CB 4.43Å; N569-H572 WeakPolarHBondContact O-CB 3.35Å; N569-H572 PolarHBondContact O-N 3.48Å; H570-H572 VanDerWaalsContact C-N 3.27Å; H570-H572 PolarHBondContact O-N 3.28Å; H572-V574 VanDerWaalsContact C-N 3.31Å; H572-V574 PolarHBondContact O-N 3.45Å; H572-L575 WeakPolarHBondContact O-CB 3.42Å; H572-L575 PolarHBondContact O-N 3.12Å; H572-L576 VanDerWaalsContact O-CG 3.27Å; H572-L576 WeakPolarHBondContact O-CG 3.46Å; H572-L576 PolarHBondContact O-N 3.31Å
573	E	98.7	Very high	97.9	Very high	24 Å²	24	62 Å²	62	11%	0.112	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-40.6	172.8	-66.7	-172	-121.5	0	0	111.8	F363 R558 A559 S562 N569 H570 L576 A577	F363-E573 HydrophobicContact CE2-CB 3.97Å; F363-E573 HydrophobicContact CE2-CG 3.69Å; F363-E573 WeakPolarHBondContact CE2-OE2 3.36Å; F363-E573 HydrophobicContact CZ-CB 3.9Å; F363-E573 HydrophobicContact CZ-CG 4.16Å; R558-E573 IonicContact NE-OE2 3.81Å; R558-E573 PolarHBondContact NE-OE2 3.3Å; A559-E573 HydrophobicContact CB-CB 4.34Å; S562-E573 WeakPolarHBondContact CB-OE1 3.44Å; S562-E573 WeakPolarHBondContact CB-OE2 3.37Å; S562-E573 PolarHBondContact OG-OE1 2.91Å; N569-E573 PolarHBondContact O-N 3.04Å; H570-E573 PolarHBondContact O-N 3.09Å; E573-L576 PolarHBondContact O-N 3.48Å; E573-A577 VanDerWaalsContact O-CB 3.32Å; E573-A577 WeakPolarHBondContact O-CB 3.48Å; E573-A577 PolarHBondContact O-N 2.93Å
574	V	98.8	Very high	97.9	Very high	15 Å²	15	60.9 Å²	60.9	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-43.8	173.9	169.3	0	0	0	0	111.1	L503 I563 H570 D571 H572 A577 N578	L503-V574 HydrophobicContact CD2-CB 4.44Å; L503-V574 HydrophobicContact CD2-CG1 4.02Å; L503-V574 HydrophobicContact CG-CG1 4.36Å; L503-V574 HydrophobicContact CG-CG2 4.44Å; I563-V574 HydrophobicContact CB-CG2 4.32Å; I563-V574 HydrophobicContact CD1-CG2 3.99Å; I563-V574 HydrophobicContact CG2-CG2 4.47Å; H570-V574 WeakPolarHBondContact O-CG2 3.43Å; H570-V574 PolarHBondContact O-N 3.41Å; D571-V574 PolarHBondContact O-N 3.24Å; H572-V574 VanDerWaalsContact C-N 3.31Å; H572-V574 PolarHBondContact O-N 3.45Å; V574-A577 PolarHBondContact O-N 2.64Å; V574-N578 WeakPolarHBondContact O-CB 3.47Å; V574-N578 PolarHBondContact O-N 2.99Å; V574-N578 PolarHBondContact O-ND2 3.25Å
575	L	98.8	Very high	98	Very high	101 Å²	101	58.1 Å²	58.1	53%	0.529	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-50.8	175.7	178.5	61.7	0	0	0	111.5	D571 H572 A577 N578 T579	D571-L575 PolarHBondContact O-N 3.49Å; H572-L575 WeakPolarHBondContact O-CB 3.42Å; H572-L575 PolarHBondContact O-N 3.12Å; L575-A577 PolarHBondContact O-N 2.84Å; L575-N578 PolarHBondContact O-N 2.69Å; L575-T579 PolarHBondContact O-N 3.37Å; L575-T579 PolarHBondContact O-OG1 2.99Å; L575-T579 VanDerWaalsContact O-OG1 3.05Å
576	L	98.8	Very high	98.1	Very high	17 Å²	17	59.6 Å²	59.6	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-45.6	179.2	-67.5	171.7	0	0	0	111.7	A359 I360 F363 H572 E573 F580	A359-L576 HydrophobicContact CB-CD2 4.23Å; I360-L576 HydrophobicContact CG1-CD2 3.58Å; F363-L576 HydrophobicContact CB-CD1 4.02Å; F363-L576 HydrophobicContact CD1-CB 3.87Å; F363-L576 HydrophobicContact CD1-CD1 4.41Å; F363-L576 HydrophobicContact CD2-CD1 4.22Å; F363-L576 HydrophobicContact CE1-CB 4.21Å; F363-L576 HydrophobicContact CG-CB 4.29Å; F363-L576 HydrophobicContact CG-CD1 3.98Å; H572-L576 VanDerWaalsContact O-CG 3.27Å; H572-L576 WeakPolarHBondContact O-CG 3.46Å; H572-L576 PolarHBondContact O-N 3.31Å; E573-L576 PolarHBondContact O-N 3.48Å; L576-F580 WeakPolarHBondContact O-CB 3.41Å; L576-F580 PolarHBondContact O-N 3.18Å
577	A	98.9	Very high	98.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-45.7	178.1	0	0	0	0	0	111.9	F363 L503 V555 A559 E573 V574 L575 F580 C581	F363-A577 HydrophobicContact CE1-CB 4.21Å; L503-A577 HydrophobicContact CD2-CB 3.85Å; V555-A577 HydrophobicContact CB-CB 4.01Å; V555-A577 HydrophobicContact CG2-CB 4.1Å; A559-A577 HydrophobicContact CB-CB 3.81Å; E573-A577 VanDerWaalsContact O-CB 3.32Å; E573-A577 WeakPolarHBondContact O-CB 3.48Å; E573-A577 PolarHBondContact O-N 2.93Å; V574-A577 PolarHBondContact O-N 2.64Å; L575-A577 PolarHBondContact O-N 2.84Å; A577-F580 PolarHBondContact O-N 3.44Å; A577-C581 VanDerWaalsContact O-CB 3.32Å; A577-C581 WeakPolarHBondContact O-CB 3.44Å; A577-C581 PolarHBondContact O-N 3Å; A577-C581 PolarHBondContact O-SG 3.49Å; A577-C581 VanDerWaalsContact O-SG 3.33Å
578	N	98.8	Very high	98.4	Very high	44 Å²	44	60.3 Å²	60.3	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-44	179	-81.8	-32.5	0	0	0	112.2	S502 L503 S506 V574 L575 N582	S502-N578 PolarHBondContact O-ND2 2.84Å; L503-N578 WeakPolarHBondContact CD2-OD1 3.3Å; S506-N578 VanDerWaalsContact CB-OD1 3.32Å; S506-N578 WeakPolarHBondContact CB-OD1 3.45Å; S506-N578 WeakPolarHBondContact OG-CA 3.41Å; S506-N578 PolarHBondContact OG-OD1 3.22Å; V574-N578 WeakPolarHBondContact O-CB 3.47Å; V574-N578 PolarHBondContact O-N 2.99Å; V574-N578 PolarHBondContact O-ND2 3.25Å; L575-N578 PolarHBondContact O-N 2.69Å; N578-N582 WeakPolarHBondContact O-CB 3.39Å; N578-N582 PolarHBondContact O-N 3.3Å
579	T	98.9	Very high	98.5	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.319	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-47.9	176.8	-58.4	0	0	0	0	111.2	I360 L575 N582 D583	I360-T579 HydrophobicContact CD1-CG2 3.64Å; L575-T579 PolarHBondContact O-N 3.37Å; L575-T579 PolarHBondContact O-OG1 2.99Å; L575-T579 VanDerWaalsContact O-OG1 3.05Å; T579-N582 PolarHBondContact O-N 3.04Å; T579-D583 PolarHBondContact O-N 3.06Å
580	F	98.9	Very high	98.6	Very high	22 Å²	22	52.7 Å²	52.7	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-49.5	177.9	176.8	-99.2	0	0	0	112.5	I360 V364 F394 A551 M552 V555 L576 A577 N582 D583 A584	I360-F580 HydrophobicContact CG2-CB 3.9Å; I360-F580 HydrophobicContact CG2-CD2 3.89Å; I360-F580 HydrophobicContact CG2-CG 4.32Å; V364-F580 HydrophobicContact CG1-CE1 4.31Å; V364-F580 HydrophobicContact CG1-CE2 4.18Å; V364-F580 HydrophobicContact CG1-CZ 4Å; V364-F580 HydrophobicContact CG2-CB 4.21Å; V364-F580 HydrophobicContact CG2-CD1 4.01Å; V364-F580 HydrophobicContact CG2-CD2 3.53Å; V364-F580 HydrophobicContact CG2-CE1 4.3Å; V364-F580 HydrophobicContact CG2-CE2 3.85Å; V364-F580 HydrophobicContact CG2-CG 3.61Å; V364-F580 HydrophobicContact CG2-CZ 4.23Å; F394-F580 HydrophobicContact CE2-CE2 4.06Å; F394-F580 HydrophobicContact CE2-CZ 4.11Å; F394-F580 AromaticContact CZ-CE2 3.91Å; F394-F580 HydrophobicContact CZ-CE2 3.91Å; F394-F580 HydrophobicContact CZ-CZ 4.23Å; A551-F580 HydrophobicContact CB-CE1 3.6Å; A551-F580 HydrophobicContact CB-CZ 3.45Å; A551-F580 VanDerWaalsContact CB-CZ 3.45Å; M552-F580 HydrophobicContact CG-CD1 4.39Å; M552-F580 HydrophobicContact CG-CE1 3.94Å; V555-F580 HydrophobicContact CG2-CD1 3.89Å; L576-F580 WeakPolarHBondContact O-CB 3.41Å; L576-F580 PolarHBondContact O-N 3.18Å; A577-F580 PolarHBondContact O-N 3.44Å; F580-N582 VanDerWaalsContact C-N 3.26Å; F580-N582 PolarHBondContact O-N 3.5Å; F580-D583 PolarHBondContact O-N 2.94Å; F580-A584 HydrophobicContact CE1-CB 4.16Å; F580-A584 HydrophobicContact CZ-CB 4.23Å; F580-A584 VanDerWaalsContact O-CB 3.29Å; F580-A584 WeakPolarHBondContact O-CB 3.41Å; F580-A584 PolarHBondContact O-N 3.34Å
581	C	98.9	Very high	98.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-35.4	-178.7	-76.4	0	0	0	0	112.1	M552 A577 F585	M552-C581 HydrophobicContact CE-CB 4.04Å; A577-C581 VanDerWaalsContact O-CB 3.32Å; A577-C581 WeakPolarHBondContact O-CB 3.44Å; A577-C581 PolarHBondContact O-N 3Å; A577-C581 PolarHBondContact O-SG 3.49Å; A577-C581 VanDerWaalsContact O-SG 3.33Å; C581-F585 WeakPolarHBondContact O-CB 3.46Å; C581-F585 PolarHBondContact O-N 3.22Å
582	N	98.7	Very high	98.5	Very high	52 Å²	52	46.2 Å²	46.2	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-50.1	175	-173.2	71.6	0	0	0	111.9	K509 N578 T579 F580 F585 F586	K509-N582 PolarHBondContact NZ-OD1 2.6Å; N578-N582 WeakPolarHBondContact O-CB 3.39Å; N578-N582 PolarHBondContact O-N 3.3Å; T579-N582 PolarHBondContact O-N 3.04Å; F580-N582 VanDerWaalsContact C-N 3.26Å; F580-N582 PolarHBondContact O-N 3.5Å; N582-F585 WeakPolarHBondContact O-CB 3.31Å; N582-F585 PolarHBondContact O-N 2.66Å; N582-F586 WeakPolarHBondContact O-CD2 3.49Å; N582-F586 PolarHBondContact O-N 3.14Å
583	D	98.5	Very high	98.5	Very high	77 Å²	77	43.7 Å²	43.7	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-42.3	-179.1	-70	-5	0	0	0	112	T579 F580 F585 F586 K587	T579-D583 PolarHBondContact O-N 3.06Å; F580-D583 PolarHBondContact O-N 2.94Å; D583-F585 VanDerWaalsContact C-N 3.31Å; D583-F585 PolarHBondContact O-N 2.92Å; D583-F586 PolarHBondContact O-N 3.17Å; D583-K587 WeakPolarHBondContact O-CG 3.47Å; D583-K587 PolarHBondContact O-N 2.63Å; D583-K587 VanDerWaalsContact O-N 3.11Å
584	A	98.8	Very high	98.4	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-41.5	176.5	0	0	0	0	0	111.5	N548 M552 F580 F586 K587 N588	N548-A584 HydrophobicContact CB-CB 4.36Å; M552-A584 HydrophobicContact CG-CB 3.83Å; M552-A584 HydrophobicContact SD-CB 3.81Å; F580-A584 HydrophobicContact CE1-CB 4.16Å; F580-A584 HydrophobicContact CZ-CB 4.23Å; F580-A584 VanDerWaalsContact O-CB 3.29Å; F580-A584 WeakPolarHBondContact O-CB 3.41Å; F580-A584 PolarHBondContact O-N 3.34Å; A584-F586 PolarHBondContact O-N 3.09Å; A584-K587 PolarHBondContact O-N 3.5Å; A584-N588 VanDerWaalsContact O-CB 3.28Å; A584-N588 WeakPolarHBondContact O-CB 3.47Å; A584-N588 PolarHBondContact O-N 3.3Å; A584-N588 PolarHBondContact O-ND2 2.81Å
585	F	98.8	Very high	98.4	Very high	24 Å²	24	43.4 Å²	43.4	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-48.7	178.5	175.5	-100	0	0	0	112.7	K509 Q512 N513 C581 N582 D583 N588 N589	K509-F585 HydrophobicContact CB-CB 4.16Å; K509-F585 HydrophobicContact CB-CD2 3.52Å; K509-F585 HydrophobicContact CB-CE2 4.04Å; K509-F585 HydrophobicContact CB-CG 3.92Å; K509-F585 HydrophobicContact CD-CB 4.17Å; K509-F585 HydrophobicContact CD-CD1 4.34Å; K509-F585 HydrophobicContact CD-CG 4.1Å; K509-F585 HydrophobicContact CG-CB 4.32Å; K509-F585 HydrophobicContact CG-CD1 4.24Å; K509-F585 HydrophobicContact CG-CD2 3.77Å; K509-F585 HydrophobicContact CG-CE1 4.49Å; K509-F585 HydrophobicContact CG-CE2 4.06Å; K509-F585 HydrophobicContact CG-CG 3.86Å; K509-F585 HydrophobicContact CG-CZ 4.4Å; K509-F585 WeakPolarHBondContact O-CD2 3.34Å; Q512-F585 HydrophobicContact CB-CE2 4.19Å; N513-F585 WeakPolarHBondContact ND2-CD2 3.5Å; N513-F585 VanDerWaalsContact ND2-CE2 3.33Å; N513-F585 WeakPolarHBondContact ND2-CE2 3.39Å; N513-F585 WeakPolarHBondContact OD1-CA 3.35Å; C581-F585 WeakPolarHBondContact O-CB 3.46Å; C581-F585 PolarHBondContact O-N 3.22Å; N582-F585 WeakPolarHBondContact O-CB 3.31Å; N582-F585 PolarHBondContact O-N 2.66Å; D583-F585 VanDerWaalsContact C-N 3.31Å; D583-F585 PolarHBondContact O-N 2.92Å; F585-N588 PolarHBondContact O-N 3.09Å; F585-N589 WeakPolarHBondContact CE1-ND2 3.15Å; F585-N589 WeakPolarHBondContact CZ-ND2 3.19Å; F585-N589 VanDerWaalsContact O-CG 3.24Å; F585-N589 PolarHBondContact O-N 3.17Å; F585-N589 PolarHBondContact O-ND2 3.21Å
586	F	98.4	Very high	98.2	Very high	120 Å²	120	43.5 Å²	43.5	53%	0.526	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-40.6	179.5	-71	-68.6	0	0	0	112.4	N582 D583 A584 N588 N589 Y590	N582-F586 WeakPolarHBondContact O-CD2 3.49Å; N582-F586 PolarHBondContact O-N 3.14Å; D583-F586 PolarHBondContact O-N 3.17Å; A584-F586 PolarHBondContact O-N 3.09Å; F586-N588 VanDerWaalsContact C-N 3.32Å; F586-N588 PolarHBondContact O-N 2.68Å; F586-N589 PolarHBondContact O-N 3.41Å; F586-Y590 PolarHBondContact O-N 3.04Å
587	K	98.4	Very high	97.8	Very high	131 Å²	131	49.3 Å²	49.3	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-60.1	-42.4	174.9	-72.9	173.4	-177	173.3	0	112	D583 A584 S591	D583-K587 WeakPolarHBondContact O-CG 3.47Å; D583-K587 PolarHBondContact O-N 2.63Å; D583-K587 VanDerWaalsContact O-N 3.11Å; A584-K587 PolarHBondContact O-N 3.5Å; K587-S591 WeakPolarHBondContact O-CB 3.3Å; K587-S591 PolarHBondContact O-N 2.99Å; K587-S591 PolarHBondContact O-OG 3.31Å
588	N	98.7	Very high	97.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-46.3	177.6	-74.6	-11.8	0	0	0	111.6	N513 V545 N548 A584 F585 F586 Y590 S591 M592	N513-N588 WeakPolarHBondContact OD1-CB 3.33Å; N513-N588 PolarHBondContact OD1-ND2 3.5Å; V545-N588 HydrophobicContact CG1-CB 4.35Å; N548-N588 WeakPolarHBondContact CB-OD1 3.45Å; N548-N588 PolarHBondContact ND2-OD1 2.72Å; A584-N588 VanDerWaalsContact O-CB 3.28Å; A584-N588 WeakPolarHBondContact O-CB 3.47Å; A584-N588 PolarHBondContact O-N 3.3Å; A584-N588 PolarHBondContact O-ND2 2.81Å; F585-N588 PolarHBondContact O-N 3.09Å; F586-N588 VanDerWaalsContact C-N 3.32Å; F586-N588 PolarHBondContact O-N 2.68Å; N588-Y590 VanDerWaalsContact C-N 3.34Å; N588-Y590 PolarHBondContact O-N 2.94Å; N588-S591 PolarHBondContact O-N 3.04Å; N588-M592 HydrophobicContact CB-CE 4.11Å; N588-M592 WeakPolarHBondContact O-CB 3.32Å; N588-M592 WeakPolarHBondContact O-CE 3.3Å; N588-M592 WeakPolarHBondContact O-CG 3.44Å; N588-M592 PolarHBondContact O-N 3.37Å
589	N	97.8	Very high	97.2	Very high	41 Å²	41	55.6 Å²	55.6	22%	0.219	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-45.9	178	-72.5	-16.8	0	0	0	111.6	N513 F585 F586 S591 M592 V593	N513-N589 PolarHBondContact ND2-OD1 3.31Å; F585-N589 WeakPolarHBondContact CE1-ND2 3.15Å; F585-N589 WeakPolarHBondContact CZ-ND2 3.19Å; F585-N589 VanDerWaalsContact O-CG 3.24Å; F585-N589 PolarHBondContact O-N 3.17Å; F585-N589 PolarHBondContact O-ND2 3.21Å; F586-N589 PolarHBondContact O-N 3.41Å; N589-S591 PolarHBondContact O-N 2.98Å; N589-M592 PolarHBondContact O-N 2.91Å; N589-V593 WeakPolarHBondContact O-CG2 3.48Å; N589-V593 PolarHBondContact O-N 2.97Å
590	Y	98.1	Very high	97	Very high	128 Å²	128	58.3 Å²	58.3	50%	0.502	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.4	-175.8	-105.7	0	0	0	112	F586 N588 M592 V593 Q594 E601	F586-Y590 PolarHBondContact O-N 3.04Å; N588-Y590 VanDerWaalsContact C-N 3.34Å; N588-Y590 PolarHBondContact O-N 2.94Å; Y590-M592 VanDerWaalsContact C-N 3.33Å; Y590-M592 PolarHBondContact O-N 3.23Å; Y590-V593 WeakPolarHBondContact O-CB 3.48Å; Y590-V593 PolarHBondContact O-N 3.38Å; Y590-Q594 HydrophobicContact CE1-CG 4.27Å; Y590-Q594 WeakPolarHBondContact O-CG 3.38Å; Y590-Q594 PolarHBondContact O-N 3.36Å; Y590-Q594 VanDerWaalsContact O-N 3.13Å; Y590-E601 HydrophobicContact CE2-CB 4.31Å; Y590-E601 HydrophobicContact CE2-CG 4.22Å
591	S	98.1	Very high	96.8	Very high	19 Å²	19	60.6 Å²	60.6	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-39.3	177.3	-59.4	0	0	0	0	112.3	K587 N588 N589 Q594 L595	K587-S591 WeakPolarHBondContact O-CB 3.3Å; K587-S591 PolarHBondContact O-N 2.99Å; K587-S591 PolarHBondContact O-OG 3.31Å; N588-S591 PolarHBondContact O-N 3.04Å; N589-S591 PolarHBondContact O-N 2.98Å; S591-Q594 PolarHBondContact O-N 3.05Å; S591-L595 WeakPolarHBondContact O-CG 3.4Å; S591-L595 PolarHBondContact O-N 3.31Å
592	M	97.4	Very high	96.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-33.9	176.9	-72.1	-175.9	-72.4	0	0	112.6	L516 F517 V545 N588 N589 Y590 L595	L516-M592 HydrophobicContact CB-CE 4.13Å; L516-M592 HydrophobicContact CB-SD 3.95Å; L516-M592 HydrophobicContact CD2-CB 4.45Å; L516-M592 HydrophobicContact CD2-CE 3.55Å; L516-M592 HydrophobicContact CD2-SD 3.94Å; L516-M592 HydrophobicContact CG-CE 3.88Å; L516-M592 HydrophobicContact CG-SD 3.61Å; F517-M592 HydrophobicContact CB-SD 4.04Å; V545-M592 HydrophobicContact CG1-CG 4.45Å; V545-M592 HydrophobicContact CG1-SD 4.38Å; V545-M592 HydrophobicContact CG2-CG 4.2Å; N588-M592 HydrophobicContact CB-CE 4.11Å; N588-M592 WeakPolarHBondContact O-CB 3.32Å; N588-M592 WeakPolarHBondContact O-CE 3.3Å; N588-M592 WeakPolarHBondContact O-CG 3.44Å; N588-M592 PolarHBondContact O-N 3.37Å; N589-M592 PolarHBondContact O-N 2.91Å; Y590-M592 VanDerWaalsContact C-N 3.33Å; Y590-M592 PolarHBondContact O-N 3.23Å; M592-L595 PolarHBondContact O-N 3.37Å
593	V	97.1	Very high	96.5	Very high	45 Å²	45	64.8 Å²	64.8	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-47.6	170.4	168.8	0	0	0	0	110.4	N589 Y590 L595 Q596 S599 E601	N589-V593 WeakPolarHBondContact O-CG2 3.48Å; N589-V593 PolarHBondContact O-N 2.97Å; Y590-V593 WeakPolarHBondContact O-CB 3.48Å; Y590-V593 PolarHBondContact O-N 3.38Å; V593-L595 PolarHBondContact O-N 2.97Å; V593-L595 VanDerWaalsContact O-N 3.07Å; V593-Q596 VanDerWaalsContact O-CB 3.28Å; V593-Q596 WeakPolarHBondContact O-CB 3.47Å; V593-Q596 WeakPolarHBondContact O-CG 3.46Å; V593-Q596 PolarHBondContact O-N 3.38Å; V593-S599 WeakPolarHBondContact O-CB 3.27Å; V593-S599 PolarHBondContact O-OG 2.98Å; V593-E601 HydrophobicContact CG1-CB 4.36Å; V593-E601 HydrophobicContact CG1-CG 4.01Å; V593-E601 VanDerWaalsContact CG1-OE2 3.28Å; V593-E601 WeakPolarHBondContact CG1-OE2 3.43Å
594	Q	97.5	Very high	96.5	Very high	31 Å²	31	62 Å²	62	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-18.9	177.9	-64.6	-175.8	-51.7	0	0	114.4	Y590 S591 E601 N602	Y590-Q594 HydrophobicContact CE1-CG 4.27Å; Y590-Q594 WeakPolarHBondContact O-CG 3.38Å; Y590-Q594 PolarHBondContact O-N 3.36Å; Y590-Q594 VanDerWaalsContact O-N 3.13Å; S591-Q594 PolarHBondContact O-N 3.05Å; Q594-E601 HydrophobicContact CG-CB 3.85Å; Q594-E601 PolarHBondContact NE2-O 3.04Å; Q594-N602 PolarHBondContact O-ND2 3.21Å
595	L	97.6	Very high	96.3	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.6	176.9	-68.3	169.5	0	0	0	112.8	T520 L524 R527 V538 R541 V542 S591 M592 V593	T520-L595 HydrophobicContact CG2-CB 3.8Å; T520-L595 HydrophobicContact CG2-CD1 3.86Å; T520-L595 HydrophobicContact CG2-CG 4.48Å; L524-L595 HydrophobicContact CD1-CD1 4.45Å; L524-L595 HydrophobicContact CD1-CD2 4.28Å; R527-L595 PolarHBondContact NH1-O 3.07Å; R527-L595 VanDerWaalsContact NH1-O 3.14Å; R527-L595 PolarHBondContact NH2-O 3.47Å; V538-L595 HydrophobicContact CB-CD2 4.2Å; V538-L595 HydrophobicContact CG1-CD2 3.6Å; R541-L595 HydrophobicContact CB-CD1 4.25Å; R541-L595 HydrophobicContact CB-CD2 3.96Å; R541-L595 HydrophobicContact CB-CG 4.23Å; V542-L595 HydrophobicContact CG2-CD1 4.04Å; V542-L595 HydrophobicContact CG2-CD2 4.34Å; S591-L595 WeakPolarHBondContact O-CG 3.4Å; S591-L595 PolarHBondContact O-N 3.31Å; M592-L595 PolarHBondContact O-N 3.37Å; V593-L595 PolarHBondContact O-N 2.97Å; V593-L595 VanDerWaalsContact O-N 3.07Å
596	Q	94.4	Very high	96.2	Very high	104 Å²	104	66.8 Å²	66.8	49%	0.486	34%	0.342	S	S	.	.	S	Bend	trans	-66.2	156	177.7	-62.2	-179.7	3.3	0	0	111.8	V593 H598 S599	V593-Q596 VanDerWaalsContact O-CB 3.28Å; V593-Q596 WeakPolarHBondContact O-CB 3.47Å; V593-Q596 WeakPolarHBondContact O-CG 3.46Å; V593-Q596 PolarHBondContact O-N 3.38Å; Q596-H598 PolarHBondContact O-N 3.05Å; Q596-S599 PolarHBondContact O-N 3.42Å
597	K	91.9	Very high	96.2	Very high	138 Å²	138	65 Å²	65	60%	0.6	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	127.5	-178.5	-165.2	-175.8	175	-174.3	0	108	S599	K597-S599 PolarHBondContact O-N 3.18Å
598	H	90.9	Very high	96.2	Very high	164 Å²	164	64.1 Å²	64.1	76%	0.759	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.8	-178.6	-48.1	-60.9	0	0	0	114.5	Q596 P600	Q596-H598 PolarHBondContact O-N 3.05Å; H598-P600 WeakPolarHBondContact O-CD 3.5Å
599	S	94.1	Very high	96.1	Very high	12 Å²	12	71.3 Å²	71.3	8%	0.084	36%	0.364	C	S	.	.			trans	-59.8	125.2	174.2	159.1	0	0	0	0	110.2	V593 Q596 K597 E601 N602	V593-S599 WeakPolarHBondContact O-CB 3.27Å; V593-S599 PolarHBondContact O-OG 2.98Å; Q596-S599 PolarHBondContact O-N 3.42Å; K597-S599 PolarHBondContact O-N 3.18Å; S599-E601 PolarHBondContact O-N 3.07Å; S599-E601 PolarHBondContact OG-N 3.15Å; S599-E601 PolarHBondContact OG-OE2 3.19Å; S599-N602 WeakPolarHBondContact O-CB 3.39Å; S599-N602 PolarHBondContact O-N 3.31Å; S599-N602 VanDerWaalsContact O-N 3.16Å; S599-N602 PolarHBondContact OG-N 3.09Å
600	P	94.1	Very high	96.1	Very high	110 Å²	110	74.7 Å²	74.7	71%	0.714	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.1	174.8	27.1	-33.6	0	0	0	112.7	H598 N602	H598-P600 WeakPolarHBondContact O-CD 3.5Å; P600-N602 PolarHBondContact O-N 2.64Å
601	E	94.8	Very high	96.1	Very high	70 Å²	70	70.5 Å²	70.5	33%	0.327	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.9	174.6	-55.9	76	-167.4	0	0	112.8	Y590 V593 Q594 S599	Y590-E601 HydrophobicContact CE2-CB 4.31Å; Y590-E601 HydrophobicContact CE2-CG 4.22Å; V593-E601 HydrophobicContact CG1-CB 4.36Å; V593-E601 HydrophobicContact CG1-CG 4.01Å; V593-E601 VanDerWaalsContact CG1-OE2 3.28Å; V593-E601 WeakPolarHBondContact CG1-OE2 3.43Å; Q594-E601 HydrophobicContact CG-CB 3.85Å; Q594-E601 PolarHBondContact NE2-O 3.04Å; S599-E601 PolarHBondContact O-N 3.07Å; S599-E601 PolarHBondContact OG-N 3.15Å; S599-E601 PolarHBondContact OG-OE2 3.19Å
602	N	96	Very high	96.1	Very high	47 Å²	47	74.8 Å²	74.8	25%	0.251	39%	0.391	S	S	.	.			trans	-84.4	119.2	177.6	-175.1	-55.4	0	0	0	111.4	Q594 S599 P600 D604	Q594-N602 PolarHBondContact O-ND2 3.21Å; S599-N602 WeakPolarHBondContact O-CB 3.39Å; S599-N602 PolarHBondContact O-N 3.31Å; S599-N602 VanDerWaalsContact O-N 3.16Å; S599-N602 PolarHBondContact OG-N 3.09Å; P600-N602 PolarHBondContact O-N 2.64Å; N602-D604 PolarHBondContact ND2-OD2 3.07Å; N602-D604 WeakPolarHBondContact OD1-CB 3.5Å; N602-D604 PolarHBondContact OD1-N 3.08Å; N602-D604 PolarHBondContact OD1-OD2 3.42Å
603	N	96.1	Very high	96.1	Very high	92 Å²	92	76 Å²	76	49%	0.492	40%	0.402	S	S	.	.			trans	-104.4	13.3	-179.2	-72.1	-41	0	0	0	114.3	A605 S606 I607	N603-A605 VanDerWaalsContact C-N 3.33Å; N603-A605 PolarHBondContact O-N 2.84Å; N603-S606 PolarHBondContact O-N 3.25Å; N603-S606 VanDerWaalsContact O-N 3.11Å; N603-I607 HydrophobicContact CB-CD1 4.34Å; N603-I607 WeakPolarHBondContact O-CG1 3.5Å; N603-I607 PolarHBondContact O-N 3.09Å
604	D	96.8	Very high	96.1	Very high	18 Å²	18	76.6 Å²	76.6	10%	0.096	41%	0.405	C	S	.	.	H	α-helix	trans	-59.5	-41.8	-170.7	-68.7	-25	0	0	0	112.7	L537 R541 N602 S606 I607 K608	L537-D604 WeakPolarHBondContact CB-OD1 3.43Å; L537-D604 HydrophobicContact CD1-CB 3.91Å; L537-D604 WeakPolarHBondContact CD1-OD1 3.39Å; R541-D604 IonicContact CZ-OD1 3.92Å; R541-D604 IonicContact CZ-OD2 2.7Å; R541-D604 IonicContact NH1-OD1 2.9Å; R541-D604 IonicContact NH2-OD1 3.61Å; R541-D604 PolarHBondContact NH2-OD1 3.13Å; R541-D604 IonicContact NH2-OD2 2.75Å; R541-D604 PolarHBondContact NH2-OD2 3.3Å; N602-D604 PolarHBondContact ND2-OD2 3.07Å; N602-D604 WeakPolarHBondContact OD1-CB 3.5Å; N602-D604 PolarHBondContact OD1-N 3.08Å; N602-D604 PolarHBondContact OD1-OD2 3.42Å; D604-S606 PolarHBondContact O-N 3.11Å; D604-I607 PolarHBondContact O-N 2.91Å; D604-K608 WeakPolarHBondContact O-CG 3.21Å; D604-K608 PolarHBondContact O-N 3.02Å
605	A	96.1	Very high	96.1	Very high	65 Å²	65	81.1 Å²	81.1	54%	0.537	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-41.7	178.2	0	0	0	0	0	111.8	N603 K608 K609	N603-A605 VanDerWaalsContact C-N 3.33Å; N603-A605 PolarHBondContact O-N 2.84Å; A605-K608 PolarHBondContact O-N 2.99Å; A605-K609 WeakPolarHBondContact O-CG 3.48Å; A605-K609 PolarHBondContact O-N 2.87Å
606	S	97.1	Very high	96.1	Very high	63 Å²	63	87.4 Å²	87.4	44%	0.441	46%	0.459	S	S	.	.	H	α-helix	trans	-66.5	-44	176.8	-59.1	0	0	0	0	111.3	N603 D604 K608 K609 I610	N603-S606 PolarHBondContact O-N 3.25Å; N603-S606 VanDerWaalsContact O-N 3.11Å; D604-S606 PolarHBondContact O-N 3.11Å; S606-K608 VanDerWaalsContact C-N 3.33Å; S606-K608 PolarHBondContact O-N 3.17Å; S606-K609 PolarHBondContact O-N 2.92Å; S606-I610 WeakPolarHBondContact O-CB 3.48Å; S606-I610 WeakPolarHBondContact O-CD1 3.48Å; S606-I610 VanDerWaalsContact O-CG1 3.27Å; S606-I610 WeakPolarHBondContact O-CG1 3.28Å; S606-I610 PolarHBondContact O-N 2.76Å
607	I	97.6	Very high	96.3	Very high	83 Å²	83	87 Å²	87	43%	0.426	46%	0.46	S	S	.	.	H	α-helix	trans	-56.2	-48.6	175.8	-69.5	165.7	0	0	0	110.3	L537 N603 D604 I610 A611	L537-I607 HydrophobicContact CD1-CG2 4.29Å; N603-I607 HydrophobicContact CB-CD1 4.34Å; N603-I607 WeakPolarHBondContact O-CG1 3.5Å; N603-I607 PolarHBondContact O-N 3.09Å; D604-I607 PolarHBondContact O-N 2.91Å; I607-I610 PolarHBondContact O-N 3.11Å; I607-A611 VanDerWaalsContact O-CB 3.28Å; I607-A611 WeakPolarHBondContact O-CB 3.31Å; I607-A611 PolarHBondContact O-N 2.83Å
608	K	97.4	Very high	96.5	Very high	113 Å²	113	91.5 Å²	91.5	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-44.4	179.2	-71.3	178.9	-175.9	-177.7	0	112	D604 A605 S606 A611 Q612	D604-K608 WeakPolarHBondContact O-CG 3.21Å; D604-K608 PolarHBondContact O-N 3.02Å; A605-K608 PolarHBondContact O-N 2.99Å; S606-K608 VanDerWaalsContact C-N 3.33Å; S606-K608 PolarHBondContact O-N 3.17Å; K608-A611 PolarHBondContact O-N 3.24Å; K608-Q612 VanDerWaalsContact O-CB 3.29Å; K608-Q612 WeakPolarHBondContact O-CB 3.41Å; K608-Q612 PolarHBondContact O-N 3.48Å
609	K	97.5	Very high	96.8	Very high	151 Å²	151	86.4 Å²	86.4	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-45.4	178.4	-74.1	178	-179.7	-177	0	112.7	A605 S606 Q612 A613	A605-K609 WeakPolarHBondContact O-CG 3.48Å; A605-K609 PolarHBondContact O-N 2.87Å; S606-K609 PolarHBondContact O-N 2.92Å; K609-Q612 PolarHBondContact O-N 3.32Å; K609-A613 PolarHBondContact O-N 3.33Å; K609-A613 VanDerWaalsContact O-N 3.09Å
610	I	97.8	Very high	96.9	Very high	112 Å²	112	94.8 Å²	94.8	57%	0.574	49%	0.487	S	S	*	.	H	α-helix	trans	-61.1	-48.7	177.1	-68.4	163.1	0	0	0	109.8	S606 I607 Q612 A613 V614	S606-I610 WeakPolarHBondContact O-CB 3.48Å; S606-I610 WeakPolarHBondContact O-CD1 3.48Å; S606-I610 VanDerWaalsContact O-CG1 3.27Å; S606-I610 WeakPolarHBondContact O-CG1 3.28Å; S606-I610 PolarHBondContact O-N 2.76Å; I607-I610 PolarHBondContact O-N 3.11Å; I610-Q612 PolarHBondContact O-N 2.9Å; I610-A613 PolarHBondContact O-N 3.4Å; I610-V614 WeakPolarHBondContact O-CG2 3.36Å; I610-V614 PolarHBondContact O-N 3.49Å; I610-V614 VanDerWaalsContact O-N 3.12Å
611	A	97.5	Very high	96.9	Very high	40 Å²	40	93.7 Å²	93.7	33%	0.331	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-44.2	179.1	0	0	0	0	0	111.8	I607 K608 A613 V614 L615	I607-A611 VanDerWaalsContact O-CB 3.28Å; I607-A611 WeakPolarHBondContact O-CB 3.31Å; I607-A611 PolarHBondContact O-N 2.83Å; K608-A611 PolarHBondContact O-N 3.24Å; A611-A613 VanDerWaalsContact C-N 3.33Å; A611-A613 PolarHBondContact O-N 3.13Å; A611-V614 PolarHBondContact O-N 3.4Å; A611-L615 HydrophobicContact CB-CD1 4.47Å; A611-L615 VanDerWaalsContact O-CB 3.31Å; A611-L615 WeakPolarHBondContact O-CB 3.36Å; A611-L615 WeakPolarHBondContact O-CG 3.42Å; A611-L615 PolarHBondContact O-N 3.46Å
612	Q	97.8	Very high	97	Very high	108 Å²	108	93.8 Å²	93.8	51%	0.505	48%	0.482	S	S	.	.	H	α-helix	trans	-56.3	-48.3	177.3	-178.7	169	11.7	0	0	111.4	K608 K609 I610 V614 L615 E616	K608-Q612 VanDerWaalsContact O-CB 3.29Å; K608-Q612 WeakPolarHBondContact O-CB 3.41Å; K608-Q612 PolarHBondContact O-N 3.48Å; K609-Q612 PolarHBondContact O-N 3.32Å; I610-Q612 PolarHBondContact O-N 2.9Å; Q612-V614 PolarHBondContact O-N 3.4Å; Q612-L615 PolarHBondContact O-N 3.46Å; Q612-E616 HydrophobicContact CG-CG 4.18Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.45Å; Q612-E616 PolarHBondContact NE2-OE1 3.33Å; Q612-E616 WeakPolarHBondContact O-CB 3.36Å; Q612-E616 WeakPolarHBondContact O-CG 3.32Å; Q612-E616 PolarHBondContact O-N 2.96Å
613	A	97.5	Very high	96.9	Very high	29 Å²	29	95.3 Å²	95.3	24%	0.24	50%	0.497	C	S	.	.	H	α-helix	trans	-61.4	-42.5	179.7	0	0	0	0	0	112.4	K609 I610 A611 N617 I621	K609-A613 PolarHBondContact O-N 3.33Å; K609-A613 VanDerWaalsContact O-N 3.09Å; I610-A613 PolarHBondContact O-N 3.4Å; A611-A613 VanDerWaalsContact C-N 3.33Å; A611-A613 PolarHBondContact O-N 3.13Å; A613-N617 WeakPolarHBondContact O-CB 3.43Å; A613-N617 PolarHBondContact O-N 2.95Å; A613-N617 PolarHBondContact O-ND2 2.95Å; A613-I621 HydrophobicContact CB-CD1 3.76Å
614	V	98.1	Very high	96.9	Very high	57 Å²	57	96.3 Å²	96.3	35%	0.345	50%	0.498	S	S	.	.	H	α-helix	trans	-66.6	-41.7	176.5	172.4	0	0	0	0	111.8	I610 A611 Q612 R618 S619	I610-V614 WeakPolarHBondContact O-CG2 3.36Å; I610-V614 PolarHBondContact O-N 3.49Å; I610-V614 VanDerWaalsContact O-N 3.12Å; A611-V614 PolarHBondContact O-N 3.4Å; Q612-V614 PolarHBondContact O-N 3.4Å; V614-R618 VanDerWaalsContact O-CA 3.27Å; V614-R618 WeakPolarHBondContact O-CA 3.17Å; V614-R618 PolarHBondContact O-N 2.9Å; V614-S619 PolarHBondContact O-N 3.16Å
615	L	97.7	Very high	96.9	Very high	126 Å²	126	100.6 Å²	100.6	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-74.9	-40.5	-174.8	-70.3	170.8	0	0	0	112.8	A611 Q612 N617 R618	A611-L615 HydrophobicContact CB-CD1 4.47Å; A611-L615 VanDerWaalsContact O-CB 3.31Å; A611-L615 WeakPolarHBondContact O-CB 3.36Å; A611-L615 WeakPolarHBondContact O-CG 3.42Å; A611-L615 PolarHBondContact O-N 3.46Å; Q612-L615 PolarHBondContact O-N 3.46Å; L615-N617 VanDerWaalsContact C-N 3.3Å; L615-N617 PolarHBondContact O-N 3.09Å; L615-R618 WeakPolarHBondContact O-CG 3.34Å; L615-R618 PolarHBondContact O-N 3.45Å
616	E	97.6	Very high	96.9	Very high	133 Å²	133	103.7 Å²	103.7	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-63	-39	175.8	-73.4	174.4	175.2	0	0	111.1	Q612	Q612-E616 HydrophobicContact CG-CG 4.18Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.45Å; Q612-E616 PolarHBondContact NE2-OE1 3.33Å; Q612-E616 WeakPolarHBondContact O-CB 3.36Å; Q612-E616 WeakPolarHBondContact O-CG 3.32Å; Q612-E616 PolarHBondContact O-N 2.96Å
617	N	97.5	Very high	96.9	Very high	95 Å²	95	106 Å²	106	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-89.4	-8.5	178.8	-68.2	-78.5	0	0	0	114	A613 L615 S619 I621	A613-N617 WeakPolarHBondContact O-CB 3.43Å; A613-N617 PolarHBondContact O-N 2.95Å; A613-N617 PolarHBondContact O-ND2 2.95Å; L615-N617 VanDerWaalsContact C-N 3.3Å; L615-N617 PolarHBondContact O-N 3.09Å; N617-S619 PolarHBondContact O-N 3.19Å; N617-S619 VanDerWaalsContact O-N 3.08Å; N617-S619 PolarHBondContact O-OG 3.16Å; N617-I621 HydrophobicContact CB-CG2 3.63Å
618	R	97.4	Very high	96.6	Very high	233 Å²	233	110.2 Å²	110.2	88%	0.879	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	34.7	-174.9	-56	177.3	-175.5	167.2	1	113.4	V614 L615	V614-R618 VanDerWaalsContact O-CA 3.27Å; V614-R618 WeakPolarHBondContact O-CA 3.17Å; V614-R618 PolarHBondContact O-N 2.9Å; L615-R618 WeakPolarHBondContact O-CG 3.34Å; L615-R618 PolarHBondContact O-N 3.45Å
619	S	96.9	Very high	96	Very high	57 Å²	57	111.7 Å²	111.7	40%	0.399	57%	0.567	S	S	.	*	S	Bend	trans	-159.5	163.2	-172.3	55.8	0	0	0	0	112.4	V614 N617 I621	V614-S619 PolarHBondContact O-N 3.16Å; N617-S619 PolarHBondContact O-N 3.19Å; N617-S619 VanDerWaalsContact O-N 3.08Å; N617-S619 PolarHBondContact O-OG 3.16Å; S619-I621 PolarHBondContact O-N 3.31Å
620	Y	95.4	Very high	94.7	Very high	188 Å²	188	117.2 Å²	117.2	74%	0.737	59%	0.591	S	S	*	*			trans	-73.2	118	164.5	176	-113.7	0	0	0	108.8	C622	Y620-C622 HydrophobicContact CE1-CB 3.76Å; Y620-C622 WeakPolarHBondContact CE1-O 3.49Å; Y620-C622 HydrophobicContact CE2-CB 4.04Å; Y620-C622 VanDerWaalsContact CZ-CB 3.46Å; Y620-C622 WeakPolarHBondContact OH-CB 3.41Å
621	I	95.4	Very high	94.5	Very high	87 Å²	87	117.5 Å²	117.5	45%	0.446	59%	0.592	S	S	.	*			trans	-92.6	-12.7	-166.1	62.8	158.5	0	0	0	114.8	A613 N617 S619 S623	A613-I621 HydrophobicContact CB-CD1 3.76Å; N617-I621 HydrophobicContact CB-CG2 3.63Å; S619-I621 PolarHBondContact O-N 3.31Å; I621-S623 PolarHBondContact O-N 3.22Å
622	C	95.1	Very high	94.3	Very high	73 Å²	73	121.5 Å²	121.5	49%	0.493	61%	0.606	S	S	.	*	S	Bend	trans	-74.2	131.1	-179.4	-54.8	0	0	0	0	109.1	Y620	Y620-C622 HydrophobicContact CE1-CB 3.76Å; Y620-C622 WeakPolarHBondContact CE1-O 3.49Å; Y620-C622 HydrophobicContact CE2-CB 4.04Å; Y620-C622 VanDerWaalsContact CZ-CB 3.46Å; Y620-C622 WeakPolarHBondContact OH-CB 3.41Å
623	S	95	Very high	94.2	Very high	79 Å²	79	122.3 Å²	122.3	55%	0.552	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-49.5	144.9	169.2	-77.1	0	0	0	0	111.7	I621 E627	I621-S623 PolarHBondContact O-N 3.22Å; S623-E627 WeakPolarHBondContact CB-OE2 3.21Å; S623-E627 PolarHBondContact OG-OE2 2.94Å
624	H	96.1	Very high	94	Very high	112 Å²	112	127.8 Å²	127.8	52%	0.519	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-59.3	139.7	169.5	-170.6	-89.1	0	0	0	109.2	L626 E627	H624-L626 WeakPolarHBondContact ND1-CB 3.44Å; H624-L626 PolarHBondContact ND1-N 2.98Å; H624-L626 PolarHBondContact O-N 3.03Å; H624-E627 HydrophobicContact CB-CG 4.29Å; H624-E627 PolarHBondContact N-OE1 3.13Å; H624-E627 WeakPolarHBondContact O-CB 3.47Å; H624-E627 PolarHBondContact O-N 3.29Å
625	P	96.9	Very high	93.7	Very high	109 Å²	109	132.2 Å²	132.2	71%	0.708	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-12.5	-177.6	-28.6	35.9	0	0	0	116.3	R628	P625-R628 PolarHBondContact O-NH1 2.64Å; P625-R628 VanDerWaalsContact O-NH1 3.08Å
626	L	96.3	Very high	93.4	Very high	129 Å²	129	132.6 Å²	132.6	68%	0.675	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-7.5	177.4	-58.2	179.7	0	0	0	113.8	H624	H624-L626 WeakPolarHBondContact ND1-CB 3.44Å; H624-L626 PolarHBondContact ND1-N 2.98Å; H624-L626 PolarHBondContact O-N 3.03Å
627	E	95.8	Very high	93.1	Very high	112 Å²	112	132.6 Å²	132.6	52%	0.523	65%	0.653	S	S	.	*			trans	-66.1	146.2	174.3	-74.2	171.5	-151.2	0	0	110.9	S623 H624	S623-E627 WeakPolarHBondContact CB-OE2 3.21Å; S623-E627 PolarHBondContact OG-OE2 2.94Å; H624-E627 HydrophobicContact CB-CG 4.29Å; H624-E627 PolarHBondContact N-OE1 3.13Å; H624-E627 WeakPolarHBondContact O-CB 3.47Å; H624-E627 PolarHBondContact O-N 3.29Å
628	R	92	Very high	92.8	Very high	172 Å²	172	135.5 Å²	135.5	65%	0.649	66%	0.664	S	S	*	*			trans	-135.7	138.5	-179.8	-62.4	-67.4	-179.9	-99.7	2.8	108.6	P625	P625-R628 PolarHBondContact O-NH1 2.64Å; P625-R628 VanDerWaalsContact O-NH1 3.08Å
629	T	84.4	Confident	92.4	Very high	144 Å²	144	127.3 Å²	127.3	88%	0.883	65%	0.646	S	S	*	*			trans	-90.2	122.2	163.8	52.5	0	0	0	0	107.1
630	F	69.8	Low	92	Very high	266 Å²	266	133.7 Å²	133.7	100%	1.167	67%	0.668	S	S	*	*			trans	-83.4	0	174.1	-71.7	-78.3	0	0	0	111.5

Retrieved 630 of 630 residues in 822.8 ms (Link to these results)

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