A0A087YPL2_POEFO Loading...

Ubiquinone biosynthesis protein COQ4 homolog, mitochondrial

Lyase that catalyzes the C1-decarboxylation of 4-hydroxy-3-methoxy-5-(all-trans-polyprenyl)benzoic acid into 2-methoxy-6-(all-trans-polyprenyl)phenol during ubiquinone biosynthesis.

AlphaFold DB , UniProt , Accession A0A087YPL2, Species POEFO (Poecilia formosa, Amazon molly), Gene COQ4, Length 278 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	31.8	Very low	34.9	Very low	229 Å²	229	183.6 Å²	183.6	100%	1.128	87%	0.868	S	S	*	*				0	102	0	-118.6	-172.7	168.9	0	0	105.6
2	W	30.7	Very low	35.1	Very low	223 Å²	223	179.6 Å²	179.6	85%	0.845	86%	0.855	S	S	*	*			cis	-144.5	145.6	22.6	-88.6	63.1	0	0	0	109.4
3	Q	32.7	Very low	35.1	Very low	180 Å²	180	176.7 Å²	176.7	84%	0.841	85%	0.847	S	S	*	*			trans	-78.4	150.7	169.4	-69.3	171.6	-32.5	0	0	110.8
4	R	31.4	Very low	35.1	Very low	245 Å²	245	176.4 Å²	176.4	93%	0.925	84%	0.844	S	S	*	*			trans	-161.1	115.1	135.6	-111.6	175.8	-171.9	-152.3	1.7	111.9
5	L	38.5	Very low	35.2	Very low	165 Å²	165	171 Å²	171	86%	0.864	83%	0.827	S	S	*	*			trans	-76.4	145.2	163.8	-72	154.6	0	0	0	109.9
6	S	32.3	Very low	35.1	Very low	112 Å²	112	168.9 Å²	168.9	78%	0.783	82%	0.815	S	S	*	*			trans	-175.9	115.5	138.9	44.5	0	0	0	0	114.1
7	N	32.3	Very low	35.2	Very low	152 Å²	152	163 Å²	163	81%	0.813	80%	0.796	S	S	*	*			trans	60.5	119.9	144.7	-73.4	-10.4	0	0	0	124
8	P	39.2	Very low	35	Very low	114 Å²	114	163.5 Å²	163.5	74%	0.74	79%	0.789	S	S	*	*			trans	-103.1	85.9	161.6	36.2	-23.1	0	0	0	110.7
9	F	37.4	Very low	35.1	Very low	191 Å²	191	161.6 Å²	161.6	84%	0.838	78%	0.783	S	S	*	*			trans	-152.3	41.5	175.1	-99	-72.3	0	0	0	113.9
10	I	39.6	Very low	35.5	Very low	168 Å²	168	158.3 Å²	158.3	86%	0.862	77%	0.773	S	S	*	*	S	Bend	trans	-146.2	73.1	167	-50.2	177.8	0	0	0	109.2
11	R	37.9	Very low	35.8	Very low	241 Å²	241	154 Å²	154	91%	0.909	76%	0.758	S	S	*	*	S	Bend	trans	-160.1	29.7	166.1	-122.5	-176.5	-157	-151.6	6.5	115.3
12	L	37.5	Very low	36.4	Very low	135 Å²	135	150 Å²	150	71%	0.707	74%	0.735	S	S	*	*	S	Bend	trans	-123.8	-5.1	179.8	-93.3	151.4	0	0	0	115.4
13	N	34.7	Very low	37.1	Very low	142 Å²	142	141 Å²	141	76%	0.759	71%	0.711	S	S	*	*	S	Bend	trans	-108.2	1.2	-176.7	-80.7	-3.6	0	0	0	116.2
14	Q	35.1	Very low	37.5	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	70%	0.703	S	S	*	*	S	Bend	trans	-98.8	-20.2	177.4	-85.8	-176.6	-17.7	0	0	114.5
15	T	36.3	Very low	38.1	Very low	96 Å²	96	135.2 Å²	135.2	59%	0.589	69%	0.69	S	S	*	*	H	α-helix	trans	-84.5	-24.9	178	20.9	0	0	0	0	112.9	L19	T15-L19 WeakPolarHBondContact O-CD1 3.47Å
16	Q	34.7	Very low	38.5	Very low	137 Å²	137	130.3 Å²	130.3	64%	0.64	67%	0.673	S	S	*	*	H	α-helix	trans	-84.5	-27.1	-176	-147.6	153.4	5.3	0	0	113.4	T20	Q16-T20 PolarHBondContact O-OG1 3.19Å
17	S	35.3	Very low	39	Very low	69 Å²	69	130.4 Å²	130.4	48%	0.483	66%	0.664	S	S	.	*	H	α-helix	trans	-79	-24.8	174.5	60.4	0	0	0	0	113.5	T20	S17-T20 PolarHBondContact O-OG1 3.21Å
18	Y	33	Very low	39.4	Very low	172 Å²	172	128 Å²	128	68%	0.675	65%	0.651	S	S	*	*	H	α-helix	trans	-77.5	-30.6	176.9	-119.9	-92.7	0	0	0	112.9
19	L	36.8	Very low	39.8	Very low	127 Å²	127	126.4 Å²	126.4	67%	0.665	64%	0.639	S	S	*	*	H	α-helix	trans	-77.8	-35.4	178.8	-75.4	165.6	0	0	0	112.5	T15 G23	T15-L19 WeakPolarHBondContact O-CD1 3.47Å; L19-G23 PolarHBondContact O-N 3.07Å; L19-G23 VanDerWaalsContact O-N 3.11Å
20	T	42.6	Very low	40	Very low	96 Å²	96	123.5 Å²	123.5	59%	0.589	63%	0.628	S	S	*	*	H	α-helix	trans	-71.3	-35.4	177.5	47.8	0	0	0	0	112.7	Q16 S17 G23 F24	Q16-T20 PolarHBondContact O-OG1 3.19Å; S17-T20 PolarHBondContact O-OG1 3.21Å; T20-G23 PolarHBondContact O-N 3.47Å; T20-F24 PolarHBondContact O-N 3.5Å
21	S	41.1	Very low	39.6	Very low	67 Å²	67	125 Å²	125	47%	0.469	62%	0.622	S	S	.	*	H	α-helix	trans	-65.8	-40.6	175.7	170.5	0	0	0	0	113.3	K25	S21-K25 PolarHBondContact O-N 2.97Å
22	K	46.1	Very low	39.5	Very low	146 Å²	146	119.7 Å²	119.7	64%	0.635	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-39.7	175.5	-79.4	-173.6	175.2	-176.3	0	112.3	F24 K25 A26	K22-F24 VanDerWaalsContact C-N 3.34Å; K22-F24 PolarHBondContact O-N 3.11Å; K22-K25 PolarHBondContact O-N 2.97Å; K22-A26 WeakPolarHBondContact O-CB 3.47Å; K22-A26 PolarHBondContact O-N 3.4Å
23	G	43.5	Very low	39.6	Very low	33 Å²	33	121.2 Å²	121.2	34%	0.34	61%	0.613	S	S	.	*	H	α-helix	trans	-61.8	-39.9	176.1	0	0	0	0	0	112.9	L19 T20 A26 L27	L19-G23 PolarHBondContact O-N 3.07Å; L19-G23 VanDerWaalsContact O-N 3.11Å; T20-G23 PolarHBondContact O-N 3.47Å; G23-A26 PolarHBondContact O-N 3.48Å; G23-L27 WeakPolarHBondContact O-CB 3.23Å; G23-L27 PolarHBondContact O-N 2.99Å
24	F	43	Very low	39.8	Very low	154 Å²	154	119.3 Å²	119.3	68%	0.675	61%	0.607	S	S	*	*	H	α-helix	trans	-71.4	-36.6	178.8	-139.1	-94.9	0	0	0	112.8	T20 K22 L27 L28	T20-F24 PolarHBondContact O-N 3.5Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-F24 PolarHBondContact O-N 3.11Å; F24-L27 PolarHBondContact O-N 3.4Å; F24-L28 WeakPolarHBondContact O-CB 3.48Å; F24-L28 PolarHBondContact O-N 2.99Å
25	K	43.8	Very low	40.1	Very low	151 Å²	151	116.3 Å²	116.3	66%	0.657	61%	0.605	S	S	*	*	H	α-helix	trans	-65.8	-39.7	171.7	-78.5	-174.3	177	-175.6	0	112.1	S21 K22 L28 V29	S21-K25 PolarHBondContact O-N 2.97Å; K22-K25 PolarHBondContact O-N 2.97Å; K25-L28 PolarHBondContact O-N 3Å; K25-V29 WeakPolarHBondContact O-CB 3.48Å; K25-V29 VanDerWaalsContact O-CG2 3.23Å; K25-V29 WeakPolarHBondContact O-CG2 3.42Å; K25-V29 PolarHBondContact O-N 3.25Å
26	A	46.5	Very low	40.1	Very low	62 Å²	62	114.7 Å²	114.7	51%	0.512	61%	0.607	S	S	.	*	H	α-helix	trans	-64.8	-41.2	176.2	0	0	0	0	0	112	K22 G23 V29 H30	K22-A26 WeakPolarHBondContact O-CB 3.47Å; K22-A26 PolarHBondContact O-N 3.4Å; G23-A26 PolarHBondContact O-N 3.48Å; A26-V29 PolarHBondContact O-N 3.43Å; A26-H30 WeakPolarHBondContact O-CB 3.37Å; A26-H30 PolarHBondContact O-N 3.42Å
27	L	41.7	Very low	40.2	Very low	113 Å²	113	112.3 Å²	112.3	59%	0.592	61%	0.61	S	S	*	*	H	α-helix	trans	-66.7	-37.4	175	-94.8	146.5	0	0	0	113.1	G23 F24 H30 R31	G23-L27 WeakPolarHBondContact O-CB 3.23Å; G23-L27 PolarHBondContact O-N 2.99Å; F24-L27 PolarHBondContact O-N 3.4Å; L27-H30 PolarHBondContact O-N 3.39Å; L27-R31 PolarHBondContact O-N 3.44Å
28	L	41.7	Very low	40.5	Very low	103 Å²	103	118 Å²	118	54%	0.539	63%	0.629	S	S	.	*	H	α-helix	trans	-71.1	-38.5	177.1	-149.7	85.7	0	0	0	111.8	F24 K25 R31 L32	F24-L28 WeakPolarHBondContact O-CB 3.48Å; F24-L28 PolarHBondContact O-N 2.99Å; K25-L28 PolarHBondContact O-N 3Å; L28-R31 PolarHBondContact O-N 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.49Å
29	V	47.4	Very low	40.7	Very low	79 Å²	79	116.7 Å²	116.7	48%	0.479	63%	0.633	S	S	.	*	H	α-helix	trans	-64.6	-41.8	172.4	172.2	0	0	0	0	110.3	K25 A26 R31 L32 F33	K25-V29 WeakPolarHBondContact O-CB 3.48Å; K25-V29 VanDerWaalsContact O-CG2 3.23Å; K25-V29 WeakPolarHBondContact O-CG2 3.42Å; K25-V29 PolarHBondContact O-N 3.25Å; A26-V29 PolarHBondContact O-N 3.43Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.05Å; V29-L32 PolarHBondContact O-N 2.93Å; V29-F33 HydrophobicContact CG1-CD2 3.97Å; V29-F33 HydrophobicContact CG1-CE2 4.11Å; V29-F33 WeakPolarHBondContact O-CD2 3.35Å; V29-F33 PolarHBondContact O-N 3.35Å; V29-F33 VanDerWaalsContact O-N 3.13Å
30	H	40.6	Very low	40.7	Very low	131 Å²	131	116.8 Å²	116.8	61%	0.606	64%	0.64	S	S	*	*	H	α-helix	trans	-65.9	-34.9	177.9	-164.8	22.8	0	0	0	113	A26 L27 T34	A26-H30 WeakPolarHBondContact O-CB 3.37Å; A26-H30 PolarHBondContact O-N 3.42Å; L27-H30 PolarHBondContact O-N 3.39Å; H30-T34 PolarHBondContact O-N 3.34Å; H30-T34 PolarHBondContact O-OG1 3.01Å
31	R	32.9	Very low	40.8	Very low	198 Å²	198	120.9 Å²	120.9	75%	0.747	65%	0.645	S	S	*	*	H	α-helix	trans	-72.6	-29.9	174.3	-113.2	-177.4	-145.9	-157.8	4.3	114	L27 L28 V29 T34	L27-R31 PolarHBondContact O-N 3.44Å; L28-R31 PolarHBondContact O-N 3.27Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.05Å; R31-T34 WeakPolarHBondContact CA-OG1 3.37Å; R31-T34 PolarHBondContact O-OG1 2.93Å
32	L	35.7	Very low	40.8	Very low	130 Å²	130	122.2 Å²	122.2	68%	0.681	66%	0.655	S	S	*	*	H	α-helix	trans	-75.4	-27.3	175.3	-74.4	165.9	0	0	0	112.2	L28 V29	L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.49Å; V29-L32 PolarHBondContact O-N 2.93Å
33	F	39	Very low	41.2	Very low	168 Å²	168	121.8 Å²	121.8	74%	0.737	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-11.2	174.6	-91.2	-81.3	0	0	0	114.7	V29	V29-F33 HydrophobicContact CG1-CD2 3.97Å; V29-F33 HydrophobicContact CG1-CE2 4.11Å; V29-F33 WeakPolarHBondContact O-CD2 3.35Å; V29-F33 PolarHBondContact O-N 3.35Å; V29-F33 VanDerWaalsContact O-N 3.13Å
34	T	39.7	Very low	42.1	Very low	102 Å²	102	127.6 Å²	127.6	63%	0.626	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	4.9	-179.8	30.3	0	0	0	0	114	H30 R31	H30-T34 PolarHBondContact O-N 3.34Å; H30-T34 PolarHBondContact O-OG1 3.01Å; R31-T34 WeakPolarHBondContact CA-OG1 3.37Å; R31-T34 PolarHBondContact O-OG1 2.93Å
35	S	40.2	Very low	43.3	Very low	109 Å²	109	121.5 Å²	121.5	76%	0.762	65%	0.654	S	S	*	*	S	Bend	trans	-118.1	14.7	176.4	-173.2	0	0	0	0	113.7	A37	S35-A37 PolarHBondContact O-N 3.42Å
36	G	36.8	Very low	45.5	Very low	62 Å²	62	119 Å²	119	64%	0.639	65%	0.647	S	S	*	*			trans	-83	111.1	172.2	0	0	0	0	0	109.7	E38	G36-E38 PolarHBondContact O-N 3.39Å
37	A	36.8	Very low	47.7	Very low	86 Å²	86	117.2 Å²	117.2	71%	0.711	63%	0.627	S	S	*	*			trans	-42.5	133.4	169	0	0	0	0	0	110.8	S35 L39	S35-A37 PolarHBondContact O-N 3.42Å; A37-L39 PolarHBondContact O-N 3.21Å
38	E	40.5	Very low	50.2	Low	188 Å²	188	116 Å²	116	88%	0.879	63%	0.627	S	S	*	*			trans	-59.7	85.9	167.6	-75.1	-174.9	153.3	0	0	108.8	G36 T40	G36-E38 PolarHBondContact O-N 3.39Å; E38-T40 VanDerWaalsContact C-N 3.29Å; E38-T40 PolarHBondContact O-N 3.36Å
39	L	37.9	Very low	52.6	Low	145 Å²	145	113.1 Å²	113.1	76%	0.759	62%	0.622	S	S	*	*			trans	-70.5	95.4	161.1	-105.8	122.8	0	0	0	105.8	A37 Y41	A37-L39 PolarHBondContact O-N 3.21Å; L39-Y41 PolarHBondContact O-N 2.67Å
40	T	38.1	Very low	54.9	Low	130 Å²	130	110.6 Å²	110.6	80%	0.798	60%	0.604	S	S	*	*			trans	-59.8	86.8	162.4	47.2	0	0	0	0	108.1	E38 S42	E38-T40 VanDerWaalsContact C-N 3.29Å; E38-T40 PolarHBondContact O-N 3.36Å; T40-S42 PolarHBondContact O-N 3.4Å
41	Y	43.3	Very low	57.6	Low	181 Å²	181	108.1 Å²	108.1	71%	0.71	60%	0.595	S	S	*	*			trans	-69.5	103	171	-145.8	-92.8	0	0	0	106.4	L39 Y43	L39-Y41 PolarHBondContact O-N 2.67Å; Y41-Y43 PolarHBondContact O-N 2.91Å
42	S	42.3	Very low	60.4	Low	95 Å²	95	106.2 Å²	106.2	66%	0.664	60%	0.595	S	S	*	*			trans	-59.6	100.2	173	177.7	0	0	0	0	108.4	T40 N44	T40-S42 PolarHBondContact O-N 3.4Å; S42-N44 PolarHBondContact O-N 3.3Å; S42-N44 VanDerWaalsContact O-N 3.15Å
43	Y	52.9	Low	63.2	Low	137 Å²	137	100.8 Å²	100.8	54%	0.537	57%	0.567	S	S	.	*			trans	-69	108.4	172.5	-86.7	-78.5	0	0	0	108.5	Y41 G45 P48	Y41-Y43 PolarHBondContact O-N 2.91Å; Y43-G45 PolarHBondContact O-N 2.88Å; Y43-P48 HydrophobicContact CE1-CB 3.91Å; Y43-P48 HydrophobicContact CE1-CG 4.49Å; Y43-P48 HydrophobicContact CE2-CB 4.28Å; Y43-P48 HydrophobicContact CE2-CG 4.19Å
44	N	62.2	Low	65.8	Low	156 Å²	156	96.9 Å²	96.9	83%	0.834	55%	0.554	S	S	*	*			trans	-77.8	10.1	170.4	-68.8	-17.4	0	0	0	112.7	S42	S42-N44 PolarHBondContact O-N 3.3Å; S42-N44 VanDerWaalsContact O-N 3.15Å
45	G	68.8	Low	68.5	Low	26 Å²	26	97.1 Å²	97.1	27%	0.268	56%	0.559	S	S	.	*	S	Bend	trans	-116.4	163.3	-178.9	0	0	0	0	0	111.8	Y43 Y47	Y43-G45 PolarHBondContact O-N 2.88Å; G45-Y47 PolarHBondContact O-N 2.59Å
46	L	90.4	Very high	71.2	Confident	97 Å²	97	99.3 Å²	99.3	51%	0.508	56%	0.556	S	S	.	*	S	Bend	trans	-66.3	-19.6	-176	-63.2	173.8	0	0	0	113.7	H50 D157	L46-H50 PolarHBondContact N-ND1 3.21Å; L46-H50 VanDerWaalsContact N-ND1 3.12Å; L46-D157 HydrophobicContact CD1-CB 4.22Å; L46-D157 WeakPolarHBondContact CD1-O 3.36Å
47	Y	93.6	Very high	74	Confident	25 Å²	25	100.7 Å²	100.7	10%	0.098	55%	0.545	C	S	.	.	S	Bend	trans	-161.5	167	175.7	50.7	-90.3	0	0	0	110.1	G45 G49 H50 V153 V156 E159 A162	G45-Y47 PolarHBondContact O-N 2.59Å; Y47-G49 PolarHBondContact O-N 2.86Å; Y47-G49 VanDerWaalsContact O-N 3.16Å; Y47-H50 HydrophobicContact CD1-CB 4.09Å; Y47-H50 HydrophobicContact CD2-CB 3.89Å; Y47-H50 HydrophobicContact CE1-CB 3.92Å; Y47-H50 AromaticContact CE1-CD2 3.74Å; Y47-H50 AromaticContact CE1-CG 3.92Å; Y47-H50 HydrophobicContact CE2-CB 3.7Å; Y47-H50 HydrophobicContact CG-CB 4.07Å; Y47-H50 AromaticContact CZ-CD2 3.62Å; Y47-H50 AromaticContact CZ-CG 3.93Å; Y47-H50 VanDerWaalsContact O-CB 3.25Å; Y47-H50 WeakPolarHBondContact O-CB 3.34Å; Y47-H50 PolarHBondContact O-N 3.44Å; Y47-H50 PolarHBondContact OH-CD2 3.33Å; Y47-V153 WeakPolarHBondContact CE2-O 3.48Å; Y47-V156 WeakPolarHBondContact CE1-O 3.32Å; Y47-V156 PolarHBondContact OH-N 2.63Å; Y47-V156 PolarHBondContact OH-O 3.33Å; Y47-E159 HydrophobicContact CD1-CB 4.1Å; Y47-E159 HydrophobicContact CD1-CG 4.16Å; Y47-E159 HydrophobicContact CG-CG 4.44Å; Y47-A162 HydrophobicContact CD1-CB 4Å; Y47-A162 HydrophobicContact CE1-CB 3.4Å; Y47-A162 VanDerWaalsContact CE1-CB 3.4Å; Y47-A162 HydrophobicContact CE2-CB 4.17Å
48	P	93	Very high	76.9	Confident	89 Å²	89	98.6 Å²	98.6	58%	0.578	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	120	178.8	-30.4	38.2	0	0	0	113.8	Y43	Y43-P48 HydrophobicContact CE1-CB 3.91Å; Y43-P48 HydrophobicContact CE1-CG 4.49Å; Y43-P48 HydrophobicContact CE2-CB 4.28Å; Y43-P48 HydrophobicContact CE2-CG 4.19Å
49	G	92.5	Very high	79.6	Confident	42 Å²	42	92.1 Å²	92.1	43%	0.433	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	2.9	179.3	0	0	0	0	0	115.3	Y47 I51	Y47-G49 PolarHBondContact O-N 2.86Å; Y47-G49 VanDerWaalsContact O-N 3.16Å; G49-I51 PolarHBondContact O-N 3.13Å
50	H	96.4	Very high	82.4	Confident	25 Å²	25	90.5 Å²	90.5	12%	0.116	49%	0.49	C	S	.	.			trans	-60.1	133.8	172.7	177.7	-121.7	0	0	0	111.3	L46 Y47 K154 V156 D157	L46-H50 PolarHBondContact N-ND1 3.21Å; L46-H50 VanDerWaalsContact N-ND1 3.12Å; Y47-H50 HydrophobicContact CD1-CB 4.09Å; Y47-H50 HydrophobicContact CD2-CB 3.89Å; Y47-H50 HydrophobicContact CE1-CB 3.92Å; Y47-H50 AromaticContact CE1-CD2 3.74Å; Y47-H50 AromaticContact CE1-CG 3.92Å; Y47-H50 HydrophobicContact CE2-CB 3.7Å; Y47-H50 HydrophobicContact CG-CB 4.07Å; Y47-H50 AromaticContact CZ-CD2 3.62Å; Y47-H50 AromaticContact CZ-CG 3.93Å; Y47-H50 VanDerWaalsContact O-CB 3.25Å; Y47-H50 WeakPolarHBondContact O-CB 3.34Å; Y47-H50 PolarHBondContact O-N 3.44Å; Y47-H50 PolarHBondContact OH-CD2 3.33Å; H50-K154 CarbonylContact C-O 3.6Å; H50-K154 PolarHBondContact CD2-O 2.9Å; H50-V156 PolarHBondContact CD2-O 3.25Å; H50-D157 IonicContact CE1-OD1 3.43Å; H50-D157 PolarHBondContact CE1-OD1 2.94Å; H50-D157 IonicContact NE2-OD1 2.8Å; H50-D157 PolarHBondContact NE2-OD1 3.26Å
51	I	95.6	Very high	85.3	Confident	79 Å²	79	87 Å²	87	41%	0.405	47%	0.466	S	S	.	.			trans	-118.1	108.8	175.6	-56	176.5	0	0	0	107.3	G49 T53 K154 F155	G49-I51 PolarHBondContact O-N 3.13Å; I51-T53 PolarHBondContact O-N 3.47Å; I51-K154 HydrophobicContact CD1-CB 4.25Å; I51-K154 HydrophobicContact CD1-CD 4.1Å; I51-K154 HydrophobicContact CG1-CB 4.33Å; I51-K154 PolarHBondContact N-O 3.45Å; I51-F155 HydrophobicContact CB-CD1 4.04Å; I51-F155 HydrophobicContact CB-CE1 3.83Å; I51-F155 HydrophobicContact CD1-CE1 3.88Å; I51-F155 HydrophobicContact CD1-CZ 4.04Å; I51-F155 HydrophobicContact CG1-CE1 4.4Å; I51-F155 HydrophobicContact CG2-CD1 4.33Å; I51-F155 HydrophobicContact CG2-CE1 3.92Å
52	Q	93.6	Very high	87.8	Confident	159 Å²	159	79 Å²	79	74%	0.743	44%	0.438	S	S	*	.			trans	-65.2	134.8	175.8	-168.2	174.2	18.4	0	0	110.5
53	T	93.5	Very high	90.4	Very high	16 Å²	16	79.3 Å²	79.3	10%	0.098	44%	0.435	C	S	.	.			trans	-133.2	143.1	177.3	53.7	0	0	0	0	110.4	I51 Q57 K58 L61 F155	I51-T53 PolarHBondContact O-N 3.47Å; T53-Q57 HydrophobicContact CG2-CB 4.39Å; T53-K58 WeakPolarHBondContact OG1-CE 3.28Å; T53-L61 HydrophobicContact CG2-CD1 4Å; T53-F155 HydrophobicContact CG2-CD1 3.8Å; T53-F155 HydrophobicContact CG2-CE1 4.32Å
54	N	94.5	Very high	92.5	Very high	86 Å²	86	74.7 Å²	74.7	46%	0.46	43%	0.429	S	S	.	.			trans	-82	169.6	166.8	69	43.8	0	0	0	110.9	F56 Q57 K58	N54-F56 PolarHBondContact O-N 2.96Å; N54-F56 WeakPolarHBondContact OD1-CB 3.47Å; N54-F56 PolarHBondContact OD1-N 3.15Å; N54-Q57 PolarHBondContact ND2-OE1 3.3Å; N54-Q57 PolarHBondContact O-N 2.98Å; N54-Q57 WeakPolarHBondContact OD1-CG 3.31Å; N54-Q57 PolarHBondContact OD1-N 3.44Å; N54-K58 WeakPolarHBondContact O-CB 2.96Å; N54-K58 PolarHBondContact O-N 3.01Å
55	S	95.1	Very high	94.1	Very high	107 Å²	107	67.4 Å²	67.4	75%	0.748	39%	0.391	S	S	*	.	H	α-helix	trans	-58.1	-35.1	-176.8	-52.3	0	0	0	0	113.6	A59	S55-A59 WeakPolarHBondContact O-CB 3.45Å; S55-A59 PolarHBondContact O-N 3.03Å
56	F	96.9	Very high	95.2	Very high	155 Å²	155	66.7 Å²	66.7	68%	0.68	38%	0.384	S	S	*	.	H	α-helix	trans	-70.2	-48.1	177.8	176.1	-98.6	0	0	0	111.8	N54 K58 A59 L60	N54-F56 PolarHBondContact O-N 2.96Å; N54-F56 WeakPolarHBondContact OD1-CB 3.47Å; N54-F56 PolarHBondContact OD1-N 3.15Å; F56-K58 VanDerWaalsContact C-N 3.28Å; F56-K58 PolarHBondContact O-N 3.42Å; F56-A59 PolarHBondContact O-N 3.37Å; F56-L60 WeakPolarHBondContact O-CB 3.41Å; F56-L60 PolarHBondContact O-N 3.49Å
57	Q	96.9	Very high	95.4	Very high	90 Å²	90	65.6 Å²	65.6	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-58.7	-42	174.9	-71.1	168	-27.6	0	0	111	T53 N54 L60 L61	T53-Q57 HydrophobicContact CG2-CB 4.39Å; N54-Q57 PolarHBondContact ND2-OE1 3.3Å; N54-Q57 PolarHBondContact O-N 2.98Å; N54-Q57 WeakPolarHBondContact OD1-CG 3.31Å; N54-Q57 PolarHBondContact OD1-N 3.44Å; Q57-L60 PolarHBondContact O-N 3.39Å; Q57-L61 WeakPolarHBondContact O-CB 3.35Å; Q57-L61 VanDerWaalsContact O-CG 3.28Å; Q57-L61 WeakPolarHBondContact O-CG 3.28Å; Q57-L61 PolarHBondContact O-N 2.67Å
58	K	96.6	Very high	95.4	Very high	42 Å²	42	65.6 Å²	65.6	18%	0.183	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-43.3	177.2	-167.9	165.1	-58.2	-152.3	0	112	T53 N54 F56 L61 A62 T85 F155 D157	T53-K58 WeakPolarHBondContact OG1-CE 3.28Å; N54-K58 WeakPolarHBondContact O-CB 2.96Å; N54-K58 PolarHBondContact O-N 3.01Å; F56-K58 VanDerWaalsContact C-N 3.28Å; F56-K58 PolarHBondContact O-N 3.42Å; K58-L61 PolarHBondContact O-N 3.4Å; K58-A62 WeakPolarHBondContact O-CB 3.39Å; K58-A62 PolarHBondContact O-N 3.16Å; K58-T85 HydrophobicContact CG-CG2 4.04Å; K58-F155 PolarHBondContact NZ-O 3.46Å; K58-D157 IonicContact NZ-OD2 2.65Å; K58-D157 PolarHBondContact NZ-OD2 2.93Å
59	A	97.2	Very high	95.3	Very high	52 Å²	52	61.9 Å²	61.9	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-43.4	174.8	0	0	0	0	0	112	S55 F56 A62 V63	S55-A59 WeakPolarHBondContact O-CB 3.45Å; S55-A59 PolarHBondContact O-N 3.03Å; F56-A59 PolarHBondContact O-N 3.37Å; A59-A62 PolarHBondContact O-N 3.04Å; A59-V63 WeakPolarHBondContact O-CG2 3.44Å; A59-V63 PolarHBondContact O-N 3.44Å
60	L	97.8	Very high	95.1	Very high	111 Å²	111	64.1 Å²	64.1	58%	0.581	36%	0.364	S	S	*	.	H	α-helix	trans	-62.5	-43.9	176.8	-176.2	64	0	0	0	111.6	F56 Q57 V63 G64	F56-L60 WeakPolarHBondContact O-CB 3.41Å; F56-L60 PolarHBondContact O-N 3.49Å; Q57-L60 PolarHBondContact O-N 3.39Å; L60-V63 PolarHBondContact O-N 3.15Å; L60-G64 PolarHBondContact O-N 2.95Å
61	L	97.1	Very high	94.8	Very high	56 Å²	56	70.3 Å²	70.3	29%	0.293	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-43.6	174.1	-73.8	169.9	0	0	0	111.5	T53 Q57 K58 S65 V81 T85 F155	T53-L61 HydrophobicContact CG2-CD1 4Å; Q57-L61 WeakPolarHBondContact O-CB 3.35Å; Q57-L61 VanDerWaalsContact O-CG 3.28Å; Q57-L61 WeakPolarHBondContact O-CG 3.28Å; Q57-L61 PolarHBondContact O-N 2.67Å; K58-L61 PolarHBondContact O-N 3.4Å; L61-S65 WeakPolarHBondContact O-CB 3.24Å; L61-S65 PolarHBondContact O-N 3.47Å; L61-S65 PolarHBondContact O-OG 2.67Å; L61-V81 HydrophobicContact CB-CG1 4.1Å; L61-V81 HydrophobicContact CD2-CG1 4.39Å; L61-T85 HydrophobicContact CB-CG2 3.77Å; L61-T85 HydrophobicContact CD1-CG2 4.42Å; L61-F155 HydrophobicContact CD1-CD1 3.87Å; L61-F155 HydrophobicContact CD1-CE1 3.84Å; L61-F155 HydrophobicContact CD1-CG 4.34Å; L61-F155 HydrophobicContact CD1-CZ 4.31Å
62	A	97	Very high	94.4	Very high	15 Å²	15	69.7 Å²	69.7	12%	0.124	39%	0.391	C	S	.	.	H	α-helix	trans	-59.7	-48.8	177.5	0	0	0	0	0	111.7	K58 A59 S65 G66 L82 T85 T86	K58-A62 WeakPolarHBondContact O-CB 3.39Å; K58-A62 PolarHBondContact O-N 3.16Å; A59-A62 PolarHBondContact O-N 3.04Å; A62-S65 PolarHBondContact O-OG 2.92Å; A62-G66 PolarHBondContact O-N 3.3Å; A62-L82 WeakPolarHBondContact O-CD1 3.18Å; A62-T85 WeakPolarHBondContact CA-OG1 3.27Å; A62-T85 WeakPolarHBondContact CB-OG1 3.29Å; A62-T86 HydrophobicContact CB-CG2 3.86Å
63	V	96.8	Very high	93.8	Very high	100 Å²	100	63.8 Å²	63.8	61%	0.606	37%	0.366	S	S	*	.	H	α-helix	trans	-65.3	-51	179.2	173.6	0	0	0	0	110.9	A59 L60 S65 G66 V67	A59-V63 WeakPolarHBondContact O-CG2 3.44Å; A59-V63 PolarHBondContact O-N 3.44Å; L60-V63 PolarHBondContact O-N 3.15Å; V63-S65 PolarHBondContact O-N 3.48Å; V63-G66 PolarHBondContact O-N 2.93Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 2.92Å
64	G	96.5	Very high	93.3	Very high	40 Å²	40	68.7 Å²	68.7	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-46.1	-177.3	0	0	0	0	0	112.6	L60 V67 A68	L60-G64 PolarHBondContact O-N 2.95Å; G64-V67 PolarHBondContact O-N 3.42Å; G64-A68 WeakPolarHBondContact O-CB 3.41Å; G64-A68 PolarHBondContact O-N 3.11Å
65	S	96.1	Very high	93	Very high	4 Å²	4	69.9 Å²	69.9	3%	0.028	38%	0.382	C	S	.	.	H	α-helix	trans	-67.7	-35.5	176.9	64.5	0	0	0	0	112.6	L61 A62 V63 A68 A69 M78 L82	L61-S65 WeakPolarHBondContact O-CB 3.24Å; L61-S65 PolarHBondContact O-N 3.47Å; L61-S65 PolarHBondContact O-OG 2.67Å; A62-S65 PolarHBondContact O-OG 2.92Å; V63-S65 PolarHBondContact O-N 3.48Å; S65-A68 PolarHBondContact O-N 3.08Å; S65-A69 VanDerWaalsContact O-CB 3.25Å; S65-A69 WeakPolarHBondContact O-CB 3.41Å; S65-A69 PolarHBondContact O-N 2.78Å; S65-M78 WeakPolarHBondContact CB-O 3.37Å; S65-L82 VanDerWaalsContact OG-CA 3.27Å; S65-L82 WeakPolarHBondContact OG-CA 3.37Å; S65-L82 WeakPolarHBondContact OG-CB 3.16Å; S65-L82 PolarHBondContact OG-N 3.31Å; S65-L82 VanDerWaalsContact OG-N 3.16Å
66	G	93	Very high	92.7	Very high	11 Å²	11	70.2 Å²	70.2	11%	0.113	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-49.3	173	0	0	0	0	0	112.6	A62 V63 A68 A69 L70	A62-G66 PolarHBondContact O-N 3.3Å; V63-G66 PolarHBondContact O-N 2.93Å; G66-A68 VanDerWaalsContact C-N 3.35Å; G66-A68 PolarHBondContact O-N 3.08Å; G66-A69 PolarHBondContact O-N 3.11Å; G66-L70 WeakPolarHBondContact O-CB 3.25Å; G66-L70 VanDerWaalsContact O-CG 3.27Å; G66-L70 WeakPolarHBondContact O-CG 3.34Å; G66-L70 PolarHBondContact O-N 3.4Å
67	V	93.3	Very high	92.5	Very high	74 Å²	74	65.9 Å²	65.9	45%	0.448	36%	0.355	S	S	.	.	H	α-helix	trans	-60.3	-45.9	175.7	172.6	0	0	0	0	110.8	V63 G64 A69 L70 Q71	V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 2.92Å; G64-V67 PolarHBondContact O-N 3.42Å; V67-A69 PolarHBondContact O-N 3.26Å; V67-L70 PolarHBondContact O-N 3.44Å; V67-Q71 WeakPolarHBondContact O-CG 3.43Å; V67-Q71 PolarHBondContact O-N 3.34Å
68	A	93.6	Very high	92.4	Very high	24 Å²	24	63.4 Å²	63.4	20%	0.198	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-42.9	179.5	0	0	0	0	0	112.4	G64 S65 G66 L70 Q71 D72 M78	G64-A68 WeakPolarHBondContact O-CB 3.41Å; G64-A68 PolarHBondContact O-N 3.11Å; S65-A68 PolarHBondContact O-N 3.08Å; G66-A68 VanDerWaalsContact C-N 3.35Å; G66-A68 PolarHBondContact O-N 3.08Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 2.77Å; A68-Q71 PolarHBondContact O-N 3.45Å; A68-D72 PolarHBondContact O-N 3.39Å; A68-M78 HydrophobicContact CB-CB 4.09Å; A68-M78 HydrophobicContact CB-CG 3.66Å; A68-M78 HydrophobicContact CB-SD 4.02Å
69	A	90.5	Very high	92.2	Very high	12 Å²	12	63.3 Å²	63.3	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-28.4	175.8	0	0	0	0	0	113	S65 G66 V67 D72 P73 M78 V79	S65-A69 VanDerWaalsContact O-CB 3.25Å; S65-A69 WeakPolarHBondContact O-CB 3.41Å; S65-A69 PolarHBondContact O-N 2.78Å; G66-A69 PolarHBondContact O-N 3.11Å; V67-A69 PolarHBondContact O-N 3.26Å; A69-D72 CarbonylContact O-C 3.39Å; A69-P73 WeakPolarHBondContact O-CA 3.33Å; A69-M78 HydrophobicContact CB-CB 4.28Å; A69-V79 HydrophobicContact CB-CG2 3.83Å
70	L	88.3	Confident	92.2	Very high	89 Å²	89	61.3 Å²	61.3	47%	0.466	33%	0.331	S	S	.	.	H	α-helix	trans	-76	-30.6	172.4	-71	173.7	0	0	0	112.9	G66 V67 A68 L210 R214	G66-L70 WeakPolarHBondContact O-CB 3.25Å; G66-L70 VanDerWaalsContact O-CG 3.27Å; G66-L70 WeakPolarHBondContact O-CG 3.34Å; G66-L70 PolarHBondContact O-N 3.4Å; V67-L70 PolarHBondContact O-N 3.44Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 2.77Å; L70-L210 HydrophobicContact CD1-CD1 4.13Å; L70-L210 HydrophobicContact CD2-CB 3.94Å; L70-L210 HydrophobicContact CD2-CD1 3.47Å; L70-L210 VanDerWaalsContact CD2-CD1 3.47Å; L70-L210 HydrophobicContact CD2-CG 4.31Å; L70-L210 HydrophobicContact CG-CD1 4.4Å; L70-R214 VanDerWaalsContact C-NH2 3.34Å; L70-R214 PolarHBondContact O-NH2 3.39Å
71	Q	90.1	Very high	92.1	Very high	155 Å²	155	57 Å²	57	72%	0.724	31%	0.308	S	S	*	.	H	α-helix	trans	-74.6	-45.9	173.4	-71.7	175.5	-15.2	0	0	111.1	V67 A68	V67-Q71 WeakPolarHBondContact O-CG 3.43Å; V67-Q71 PolarHBondContact O-N 3.34Å; A68-Q71 PolarHBondContact O-N 3.45Å
72	D	87.3	Confident	92.1	Very high	66 Å²	66	55.1 Å²	55.1	35%	0.353	30%	0.299	S	S	.	.			trans	-133.3	101.5	178.2	-176.3	2.3	0	0	0	111.2	A68 A69 Y74 R75	A68-D72 PolarHBondContact O-N 3.39Å; A69-D72 CarbonylContact O-C 3.39Å; D72-Y74 PolarHBondContact O-N 2.79Å; D72-Y74 WeakPolarHBondContact OD1-CB 3.4Å; D72-Y74 PolarHBondContact OD1-N 2.99Å; D72-R75 HydrophobicContact CB-CG 3.84Å; D72-R75 WeakPolarHBondContact O-CB 3.46Å; D72-R75 PolarHBondContact O-N 3.03Å; D72-R75 VanDerWaalsContact O-N 3.14Å; D72-R75 WeakPolarHBondContact OD2-CG 3.46Å
73	P	80.8	Confident	92.1	Very high	34 Å²	34	54.4 Å²	54.4	22%	0.221	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.2	-179.5	29.5	-34.8	0	0	0	113.5	A69 R75 M185	A69-P73 WeakPolarHBondContact O-CA 3.33Å; P73-R75 VanDerWaalsContact C-N 3.3Å; P73-M185 HydrophobicContact CG-CE 4.08Å
74	Y	83.6	Confident	92.2	Very high	119 Å²	119	50 Å²	50	47%	0.467	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.3	174.8	-60.8	-78.7	0	0	0	112.7	D72 H76	D72-Y74 PolarHBondContact O-N 2.79Å; D72-Y74 WeakPolarHBondContact OD1-CB 3.4Å; D72-Y74 PolarHBondContact OD1-N 2.99Å; Y74-H76 PolarHBondContact O-CD2 2.8Å; Y74-H76 VanDerWaalsContact O-CD2 3.22Å; Y74-H76 PolarHBondContact O-N 2.93Å
75	R	88.1	Confident	92.2	Very high	111 Å²	111	48.8 Å²	48.8	42%	0.419	25%	0.25	S	S	.	.			trans	-73.6	71.9	164.7	-70.5	-68.1	-59.3	-101.9	-2.2	110.3	D72 P73 D77 M78 V79	D72-R75 HydrophobicContact CB-CG 3.84Å; D72-R75 WeakPolarHBondContact O-CB 3.46Å; D72-R75 PolarHBondContact O-N 3.03Å; D72-R75 VanDerWaalsContact O-N 3.14Å; D72-R75 WeakPolarHBondContact OD2-CG 3.46Å; P73-R75 VanDerWaalsContact C-N 3.3Å; R75-D77 VanDerWaalsContact C-OD1 3.27Å; R75-D77 WeakPolarHBondContact CA-OD1 3.25Å; R75-D77 WeakPolarHBondContact CB-OD1 3.36Å; R75-D77 IonicContact CZ-OD1 3.94Å; R75-D77 IonicContact CZ-OD2 3.48Å; R75-D77 IonicContact NE-OD1 3.74Å; R75-D77 PolarHBondContact NE-OD1 3.08Å; R75-D77 IonicContact NE-OD2 3.38Å; R75-D77 PolarHBondContact NE-OD2 3.29Å; R75-D77 IonicContact NH2-OD1 2.75Å; R75-D77 IonicContact NH2-OD2 2.75Å; R75-D77 PolarHBondContact NH2-OD2 3.42Å; R75-D77 PolarHBondContact O-N 3.42Å; R75-D77 VanDerWaalsContact O-N 3.15Å; R75-M78 HydrophobicContact CB-CB 4.05Å; R75-M78 HydrophobicContact CB-CG 3.97Å; R75-M78 PolarHBondContact O-N 2.8Å; R75-V79 PolarHBondContact O-N 3.24Å; R75-V79 VanDerWaalsContact O-N 3.12Å
76	H	89.3	Confident	92.3	Very high	114 Å²	114	50.8 Å²	50.8	53%	0.528	26%	0.263	S	S	.	.	H	α-helix	trans	-57.3	-28.6	-179.8	-60.6	-64.4	0	0	0	112.6	Y74 V79 A80	Y74-H76 PolarHBondContact O-CD2 2.8Å; Y74-H76 VanDerWaalsContact O-CD2 3.22Å; Y74-H76 PolarHBondContact O-N 2.93Å; H76-V79 PolarHBondContact O-N 3.3Å; H76-A80 VanDerWaalsContact O-CB 3.22Å; H76-A80 WeakPolarHBondContact O-CB 3.36Å; H76-A80 PolarHBondContact O-N 3.11Å
77	D	92.4	Very high	92.5	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.342	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-41.5	171.9	63.7	-40	0	0	0	112.3	R75 A80 V81	R75-D77 VanDerWaalsContact C-OD1 3.27Å; R75-D77 WeakPolarHBondContact CA-OD1 3.25Å; R75-D77 WeakPolarHBondContact CB-OD1 3.36Å; R75-D77 IonicContact CZ-OD1 3.94Å; R75-D77 IonicContact CZ-OD2 3.48Å; R75-D77 IonicContact NE-OD1 3.74Å; R75-D77 PolarHBondContact NE-OD1 3.08Å; R75-D77 IonicContact NE-OD2 3.38Å; R75-D77 PolarHBondContact NE-OD2 3.29Å; R75-D77 IonicContact NH2-OD1 2.75Å; R75-D77 IonicContact NH2-OD2 2.75Å; R75-D77 PolarHBondContact NH2-OD2 3.42Å; R75-D77 PolarHBondContact O-N 3.42Å; R75-D77 VanDerWaalsContact O-N 3.15Å; D77-A80 WeakPolarHBondContact O-CB 3.32Å; D77-A80 PolarHBondContact O-N 2.92Å; D77-V81 VanDerWaalsContact O-CG2 3.24Å; D77-V81 WeakPolarHBondContact O-CG2 3.28Å; D77-V81 PolarHBondContact O-N 2.63Å
78	M	95.1	Very high	92.7	Very high	39 Å²	39	51.7 Å²	51.7	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-73.8	-38.1	178.3	-64.1	-63.4	102.5	0	0	111.7	S65 A68 A69 R75 A80 V81 L82	S65-M78 WeakPolarHBondContact CB-O 3.37Å; A68-M78 HydrophobicContact CB-CB 4.09Å; A68-M78 HydrophobicContact CB-CG 3.66Å; A68-M78 HydrophobicContact CB-SD 4.02Å; A69-M78 HydrophobicContact CB-CB 4.28Å; R75-M78 HydrophobicContact CB-CB 4.05Å; R75-M78 HydrophobicContact CB-CG 3.97Å; R75-M78 PolarHBondContact O-N 2.8Å; M78-A80 VanDerWaalsContact C-N 3.27Å; M78-A80 PolarHBondContact O-N 3.12Å; M78-V81 HydrophobicContact CE-CG2 4.24Å; M78-V81 PolarHBondContact O-N 2.87Å; M78-L82 WeakPolarHBondContact O-CB 3.37Å; M78-L82 PolarHBondContact O-N 3.13Å
79	V	93.5	Very high	92.9	Very high	39 Å²	39	56.7 Å²	56.7	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-40.1	171.6	180	0	0	0	0	110.8	A69 R75 H76 G83 M203	A69-V79 HydrophobicContact CB-CG2 3.83Å; R75-V79 PolarHBondContact O-N 3.24Å; R75-V79 VanDerWaalsContact O-N 3.12Å; H76-V79 PolarHBondContact O-N 3.3Å; V79-G83 PolarHBondContact O-N 3.3Å; V79-M203 HydrophobicContact CG1-CG 4.44Å
80	A	95.4	Very high	93.3	Very high	11 Å²	11	56.6 Å²	56.6	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-50.8	174.8	0	0	0	0	0	112	H76 D77 M78 G83 E84 A151 R169	H76-A80 VanDerWaalsContact O-CB 3.22Å; H76-A80 WeakPolarHBondContact O-CB 3.36Å; H76-A80 PolarHBondContact O-N 3.11Å; D77-A80 WeakPolarHBondContact O-CB 3.32Å; D77-A80 PolarHBondContact O-N 2.92Å; M78-A80 VanDerWaalsContact C-N 3.27Å; M78-A80 PolarHBondContact O-N 3.12Å; A80-G83 WeakPolarHBondContact O-CA 3.31Å; A80-G83 PolarHBondContact O-N 3.36Å; A80-G83 VanDerWaalsContact O-N 3.14Å; A80-E84 WeakPolarHBondContact O-CG 3.36Å; A80-E84 PolarHBondContact O-N 3.36Å; A80-A151 HydrophobicContact CB-CB 4.36Å; A80-R169 VanDerWaalsContact C-NH2 3.32Å; A80-R169 VanDerWaalsContact CA-NH2 3.31Å; A80-R169 PolarHBondContact O-NH2 2.85Å
81	V	97.2	Very high	93.8	Very high	19 Å²	19	52.3 Å²	52.3	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-47.1	178	174.3	0	0	0	0	111.5	L61 D77 M78 G83 E84 T85 F155	L61-V81 HydrophobicContact CB-CG1 4.1Å; L61-V81 HydrophobicContact CD2-CG1 4.39Å; D77-V81 VanDerWaalsContact O-CG2 3.24Å; D77-V81 WeakPolarHBondContact O-CG2 3.28Å; D77-V81 PolarHBondContact O-N 2.63Å; M78-V81 HydrophobicContact CE-CG2 4.24Å; M78-V81 PolarHBondContact O-N 2.87Å; V81-G83 PolarHBondContact O-N 3.15Å; V81-E84 PolarHBondContact O-N 2.67Å; V81-T85 HydrophobicContact CG1-CG2 4.12Å; V81-T85 WeakPolarHBondContact O-CB 3.43Å; V81-T85 VanDerWaalsContact O-CG2 3.25Å; V81-T85 WeakPolarHBondContact O-CG2 3.48Å; V81-T85 PolarHBondContact O-N 2.89Å; V81-T85 PolarHBondContact O-OG1 2.84Å; V81-F155 HydrophobicContact CG1-CD2 4.47Å; V81-F155 HydrophobicContact CG1-CE2 4.42Å; V81-F155 HydrophobicContact CG2-CD2 4.43Å; V81-F155 HydrophobicContact CG2-CE2 3.94Å
82	L	97.3	Very high	94.2	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-55.4	-41.8	176	177.5	63.9	0	0	0	110.2	A62 S65 M78 T85 T86 M203 L206	A62-L82 WeakPolarHBondContact O-CD1 3.18Å; S65-L82 VanDerWaalsContact OG-CA 3.27Å; S65-L82 WeakPolarHBondContact OG-CA 3.37Å; S65-L82 WeakPolarHBondContact OG-CB 3.16Å; S65-L82 PolarHBondContact OG-N 3.31Å; S65-L82 VanDerWaalsContact OG-N 3.16Å; M78-L82 WeakPolarHBondContact O-CB 3.37Å; M78-L82 PolarHBondContact O-N 3.13Å; L82-T85 PolarHBondContact O-OG1 2.67Å; L82-T86 HydrophobicContact CD1-CG2 3.86Å; L82-T86 WeakPolarHBondContact O-CB 3.39Å; L82-T86 WeakPolarHBondContact O-CG2 3.26Å; L82-T86 PolarHBondContact O-N 3.01Å; L82-T86 VanDerWaalsContact O-N 3.14Å; L82-T86 PolarHBondContact O-OG1 3.48Å; L82-M203 HydrophobicContact CD2-CB 3.98Å; L82-M203 HydrophobicContact CG-CB 4.03Å; L82-L206 HydrophobicContact CD2-CD1 4.15Å
83	G	96.8	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-47.5	178.5	0	0	0	0	0	115	V79 A80 V81 G87	V79-G83 PolarHBondContact O-N 3.3Å; A80-G83 WeakPolarHBondContact O-CA 3.31Å; A80-G83 PolarHBondContact O-N 3.36Å; A80-G83 VanDerWaalsContact O-N 3.14Å; V81-G83 PolarHBondContact O-N 3.15Å; G83-G87 WeakPolarHBondContact O-CA 3.34Å; G83-G87 PolarHBondContact O-N 2.97Å
84	E	97.6	Very high	95.6	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-39.8	-179.2	-66.6	175	-145.7	0	0	112	A80 V81 V153 K154 F155 V156 M165 R169	A80-E84 WeakPolarHBondContact O-CG 3.36Å; A80-E84 PolarHBondContact O-N 3.36Å; V81-E84 PolarHBondContact O-N 2.67Å; E84-V153 HydrophobicContact CG-CG1 4.09Å; E84-K154 PolarHBondContact OE2-N 3.45Å; E84-F155 HydrophobicContact CB-CB 4.12Å; E84-F155 WeakPolarHBondContact OE2-CB 3.44Å; E84-F155 VanDerWaalsContact OE2-CD2 3.3Å; E84-F155 WeakPolarHBondContact OE2-CD2 3.43Å; E84-F155 PolarHBondContact OE2-N 3.14Å; E84-V156 HydrophobicContact CB-CG2 3.88Å; E84-V156 HydrophobicContact CG-CG2 3.99Å; E84-M165 HydrophobicContact CG-CE 4.16Å; E84-M165 HydrophobicContact CG-CG 4.16Å; E84-R169 VanDerWaalsContact CD-NH2 3.31Å; E84-R169 IonicContact OE1-CZ 3.15Å; E84-R169 VanDerWaalsContact OE1-CZ 3.23Å; E84-R169 IonicContact OE1-NH1 2.82Å; E84-R169 PolarHBondContact OE1-NH1 3.38Å; E84-R169 IonicContact OE1-NH2 3.23Å; E84-R169 PolarHBondContact OE1-NH2 3.24Å
85	T	97.4	Very high	96.3	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-78.9	-22.8	-173.4	54.8	0	0	0	0	113.2	K58 L61 A62 V81 L82 F155	K58-T85 HydrophobicContact CG-CG2 4.04Å; L61-T85 HydrophobicContact CB-CG2 3.77Å; L61-T85 HydrophobicContact CD1-CG2 4.42Å; A62-T85 WeakPolarHBondContact CA-OG1 3.27Å; A62-T85 WeakPolarHBondContact CB-OG1 3.29Å; V81-T85 HydrophobicContact CG1-CG2 4.12Å; V81-T85 WeakPolarHBondContact O-CB 3.43Å; V81-T85 VanDerWaalsContact O-CG2 3.25Å; V81-T85 WeakPolarHBondContact O-CG2 3.48Å; V81-T85 PolarHBondContact O-N 2.89Å; V81-T85 PolarHBondContact O-OG1 2.84Å; L82-T85 PolarHBondContact O-OG1 2.67Å; T85-F155 HydrophobicContact CG2-CB 4.33Å
86	T	97.7	Very high	96.8	Very high	46 Å²	46	42.8 Å²	42.8	28%	0.282	22%	0.22	S	C	.	.	H	α-helix	trans	-109	-15.9	179.5	63.5	0	0	0	0	113.7	A62 L82 H88 P202	A62-T86 HydrophobicContact CB-CG2 3.86Å; L82-T86 HydrophobicContact CD1-CG2 3.86Å; L82-T86 WeakPolarHBondContact O-CB 3.39Å; L82-T86 WeakPolarHBondContact O-CG2 3.26Å; L82-T86 PolarHBondContact O-N 3.01Å; L82-T86 VanDerWaalsContact O-N 3.14Å; L82-T86 PolarHBondContact O-OG1 3.48Å; T86-H88 PolarHBondContact O-N 2.78Å; T86-P202 WeakPolarHBondContact O-CG 3.48Å
87	G	97.6	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.			trans	-80.8	-4.2	-167.4	0	0	0	0	0	116.9	G83 L89 A90 L91	G83-G87 WeakPolarHBondContact O-CA 3.34Å; G83-G87 PolarHBondContact O-N 2.97Å; G87-L89 PolarHBondContact O-N 3.41Å; G87-A90 WeakPolarHBondContact O-CB 3.46Å; G87-A90 PolarHBondContact O-N 3.1Å; G87-L91 WeakPolarHBondContact O-CG 3.23Å; G87-L91 PolarHBondContact O-N 2.72Å
88	H	97.7	Very high	97.6	Very high	104 Å²	104	39 Å²	39	48%	0.481	20%	0.196	S	C	.	.	H	α-helix	trans	-52	-50.6	-165.8	-176.7	60.1	0	0	0	114.7	T86 L91 I92	T86-H88 PolarHBondContact O-N 2.78Å; H88-L91 PolarHBondContact O-N 2.63Å; H88-I92 PolarHBondContact O-N 3.17Å; H88-I92 VanDerWaalsContact O-N 3.08Å
89	L	98.3	Very high	97.7	Very high	129 Å²	129	40.5 Å²	40.5	68%	0.675	20%	0.201	S	C	*	.	H	α-helix	trans	-65.9	-40.3	179.6	-64.1	-179.8	0	0	0	112.4	G87 L91 I92 N93	G87-L89 PolarHBondContact O-N 3.41Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 3Å; L89-I92 PolarHBondContact O-N 3.14Å; L89-N93 PolarHBondContact O-N 3.23Å; L89-N93 VanDerWaalsContact O-N 3.09Å; L89-N93 PolarHBondContact O-ND2 2.83Å
90	A	98.6	Very high	97.9	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-38.7	176.7	0	0	0	0	0	111.5	G87 N93 L94 G200 L201	G87-A90 WeakPolarHBondContact O-CB 3.46Å; G87-A90 PolarHBondContact O-N 3.1Å; A90-N93 PolarHBondContact O-N 2.78Å; A90-L94 WeakPolarHBondContact O-CB 3.45Å; A90-L94 WeakPolarHBondContact O-CG 3.46Å; A90-L94 PolarHBondContact O-N 2.77Å; A90-G200 WeakPolarHBondContact CB-O 3.33Å; A90-L201 HydrophobicContact CB-CD2 3.85Å; A90-L201 HydrophobicContact CB-CG 4.19Å
91	L	98.8	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-38.3	176	-68.4	171.4	0	0	0	112.2	G87 H88 L89 L94 R95 V156 L161 I164 M165 L201	G87-L91 WeakPolarHBondContact O-CG 3.23Å; G87-L91 PolarHBondContact O-N 2.72Å; H88-L91 PolarHBondContact O-N 2.63Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 3Å; L91-L94 HydrophobicContact CD2-CD1 4.4Å; L91-L94 PolarHBondContact O-N 3.04Å; L91-R95 WeakPolarHBondContact O-CB 3.3Å; L91-R95 PolarHBondContact O-N 2.9Å; L91-V156 HydrophobicContact CD1-CG1 4.22Å; L91-V156 HydrophobicContact CD1-CG2 4.2Å; L91-L161 HydrophobicContact CB-CB 4.23Å; L91-L161 HydrophobicContact CB-CD1 4.34Å; L91-L161 HydrophobicContact CB-CD2 4.15Å; L91-L161 HydrophobicContact CB-CG 4.47Å; L91-L161 HydrophobicContact CD1-CB 4.39Å; L91-I164 HydrophobicContact CD2-CB 4.3Å; L91-I164 HydrophobicContact CD2-CG2 3.85Å; L91-M165 HydrophobicContact CD1-CB 4.12Å; L91-M165 HydrophobicContact CD2-CB 3.87Å; L91-M165 HydrophobicContact CD2-SD 4.33Å; L91-L201 HydrophobicContact CD2-CD2 4.08Å; L91-L201 HydrophobicContact CG-CD2 4.12Å
92	I	98.7	Very high	98.1	Very high	49 Å²	49	50.2 Å²	50.2	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-48.7	172.3	-69.4	168.1	0	0	0	110.2	H88 L89 L94 R95 E96 L161	H88-I92 PolarHBondContact O-N 3.17Å; H88-I92 VanDerWaalsContact O-N 3.08Å; L89-I92 PolarHBondContact O-N 3.14Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-L94 PolarHBondContact O-N 3.03Å; I92-R95 WeakPolarHBondContact O-CB 3.38Å; I92-R95 PolarHBondContact O-N 3.29Å; I92-E96 WeakPolarHBondContact O-CG 3.33Å; I92-E96 PolarHBondContact O-N 3.48Å; I92-L161 HydrophobicContact CG1-CD1 3.99Å
93	N	98.6	Very high	98.1	Very high	105 Å²	105	50.9 Å²	50.9	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-39.6	179.4	-68.5	-23.1	0	0	0	112.3	L89 A90 E96 R97	L89-N93 PolarHBondContact O-N 3.23Å; L89-N93 VanDerWaalsContact O-N 3.09Å; L89-N93 PolarHBondContact O-ND2 2.83Å; A90-N93 PolarHBondContact O-N 2.78Å; N93-E96 PolarHBondContact O-N 2.92Å; N93-R97 WeakPolarHBondContact O-CG 3.39Å; N93-R97 PolarHBondContact O-N 2.99Å
94	L	98.7	Very high	98.2	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-42.8	174.2	-80.8	171.2	0	0	0	111.8	A90 L91 I92 E96 R97 M98 I164 L201 L242	A90-L94 WeakPolarHBondContact O-CB 3.45Å; A90-L94 WeakPolarHBondContact O-CG 3.46Å; A90-L94 PolarHBondContact O-N 2.77Å; L91-L94 HydrophobicContact CD2-CD1 4.4Å; L91-L94 PolarHBondContact O-N 3.04Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-L94 PolarHBondContact O-N 3.03Å; L94-E96 PolarHBondContact O-N 3.38Å; L94-R97 PolarHBondContact O-N 3.05Å; L94-M98 WeakPolarHBondContact O-CB 3.38Å; L94-M98 VanDerWaalsContact O-CG 3.32Å; L94-M98 WeakPolarHBondContact O-CG 3.38Å; L94-M98 PolarHBondContact O-N 3.48Å; L94-I164 HydrophobicContact CB-CG2 3.97Å; L94-I164 HydrophobicContact CD1-CG2 4.21Å; L94-L201 HydrophobicContact CD1-CD1 4.37Å; L94-L201 HydrophobicContact CD1-CG 4.39Å; L94-L242 HydrophobicContact CD1-CD1 3.94Å; L94-L242 HydrophobicContact CD2-CD1 3.99Å; L94-L242 HydrophobicContact CG-CD1 4.45Å
95	R	98.7	Very high	98.2	Very high	55 Å²	55	56.9 Å²	56.9	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-49.4	175.1	-176.5	-171.5	68	-175.8	4.5	111.2	L91 I92 R97 M98 K99 L108 E160 L161 I164	L91-R95 WeakPolarHBondContact O-CB 3.3Å; L91-R95 PolarHBondContact O-N 2.9Å; I92-R95 WeakPolarHBondContact O-CB 3.38Å; I92-R95 PolarHBondContact O-N 3.29Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 2.69Å; R95-M98 PolarHBondContact O-N 3.37Å; R95-K99 HydrophobicContact CG-CD 4.13Å; R95-K99 HydrophobicContact CG-CG 4.45Å; R95-K99 WeakPolarHBondContact O-CB 3.48Å; R95-K99 WeakPolarHBondContact O-CG 3.44Å; R95-K99 PolarHBondContact O-N 3.45Å; R95-L108 HydrophobicContact CG-CD1 4.47Å; R95-E160 WeakPolarHBondContact CD-OE1 3.46Å; R95-L161 HydrophobicContact CB-CD2 3.99Å; R95-L161 HydrophobicContact CG-CD2 4.46Å; R95-I164 HydrophobicContact CB-CD1 3.44Å; R95-I164 VanDerWaalsContact CB-CD1 3.44Å; R95-I164 HydrophobicContact CG-CD1 3.88Å
96	E	98.5	Very high	98.3	Very high	74 Å²	74	58.4 Å²	58.4	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-39.2	179.1	-60.7	-45.6	128.6	0	0	111.5	I92 N93 L94 K99 N100	I92-E96 WeakPolarHBondContact O-CG 3.33Å; I92-E96 PolarHBondContact O-N 3.48Å; N93-E96 PolarHBondContact O-N 2.92Å; L94-E96 PolarHBondContact O-N 3.38Å; E96-K99 PolarHBondContact O-N 2.99Å; E96-N100 WeakPolarHBondContact O-CB 3.46Å; E96-N100 PolarHBondContact O-N 2.8Å; E96-N100 VanDerWaalsContact O-N 3.08Å; E96-N100 PolarHBondContact O-ND2 3.3Å
97	R	98.3	Very high	98.3	Very high	98 Å²	98	56.2 Å²	56.2	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-43.5	174.1	-74.8	175	65.1	-167.6	-2.8	112.5	N93 L94 R95 N100 D101 Q198	N93-R97 WeakPolarHBondContact O-CG 3.39Å; N93-R97 PolarHBondContact O-N 2.99Å; L94-R97 PolarHBondContact O-N 3.05Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 2.69Å; R97-N100 PolarHBondContact O-N 3.34Å; R97-D101 PolarHBondContact O-N 3.16Å; R97-Q198 PolarHBondContact NH1-O 2.68Å
98	M	98.6	Very high	98.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-40.7	177.4	-70.4	179.3	69.9	0	0	111.7	L94 R95 N100 D101 G104 Y105 I107 L108 I164 L242 S243	L94-M98 WeakPolarHBondContact O-CB 3.38Å; L94-M98 VanDerWaalsContact O-CG 3.32Å; L94-M98 WeakPolarHBondContact O-CG 3.38Å; L94-M98 PolarHBondContact O-N 3.48Å; R95-M98 PolarHBondContact O-N 3.37Å; M98-N100 VanDerWaalsContact C-N 3.27Å; M98-N100 PolarHBondContact O-N 3.18Å; M98-D101 PolarHBondContact O-N 3.34Å; M98-D101 VanDerWaalsContact O-N 3.13Å; M98-G104 CarbonylContact O-C 3.14Å; M98-G104 WeakPolarHBondContact O-CA 3.44Å; M98-Y105 PolarHBondContact O-N 2.88Å; M98-I107 HydrophobicContact CE-CB 4.3Å; M98-I107 HydrophobicContact CE-CG2 3.63Å; M98-L108 HydrophobicContact CB-CD1 3.84Å; M98-L108 HydrophobicContact CB-CD2 4.46Å; M98-L108 HydrophobicContact CB-CG 4.15Å; M98-L108 HydrophobicContact CE-CD2 3.71Å; M98-L108 HydrophobicContact CE-CG 4.01Å; M98-L108 HydrophobicContact SD-CD2 4.1Å; M98-I164 HydrophobicContact SD-CD1 4.42Å; M98-I164 HydrophobicContact SD-CG1 4.04Å; M98-I164 HydrophobicContact SD-CG2 4.27Å; M98-L242 HydrophobicContact CE-CB 4.23Å; M98-L242 VanDerWaalsContact CE-O 3.32Å; M98-L242 WeakPolarHBondContact CE-O 3.09Å; M98-L242 HydrophobicContact CG-CB 4.39Å; M98-L242 HydrophobicContact SD-CB 3.74Å; M98-L242 HydrophobicContact SD-CD1 4.43Å; M98-S243 WeakPolarHBondContact CG-OG 3.45Å
99	K	98.3	Very high	98.4	Very high	71 Å²	71	55.9 Å²	55.9	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-33.4	177.2	-76.3	-176.5	178.1	177.6	0	113	R95 E96 D101 L108 E160	R95-K99 HydrophobicContact CG-CD 4.13Å; R95-K99 HydrophobicContact CG-CG 4.45Å; R95-K99 WeakPolarHBondContact O-CB 3.48Å; R95-K99 WeakPolarHBondContact O-CG 3.44Å; R95-K99 PolarHBondContact O-N 3.45Å; E96-K99 PolarHBondContact O-N 2.99Å; K99-D101 VanDerWaalsContact C-N 3.27Å; K99-L108 HydrophobicContact CD-CD1 4.44Å; K99-L108 HydrophobicContact CG-CD1 3.48Å; K99-L108 VanDerWaalsContact CG-CD1 3.48Å; K99-E160 WeakPolarHBondContact CE-OE1 3.44Å; K99-E160 IonicContact NZ-OE1 2.87Å; K99-E160 PolarHBondContact NZ-OE1 2.92Å; K99-E160 IonicContact NZ-OE2 3.74Å
100	N	98.1	Very high	98.4	Very high	139 Å²	139	54.7 Å²	54.7	74%	0.743	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.6	177.7	-69.5	-46.9	0	0	0	113.6	E96 R97 M98	E96-N100 WeakPolarHBondContact O-CB 3.46Å; E96-N100 PolarHBondContact O-N 2.8Å; E96-N100 VanDerWaalsContact O-N 3.08Å; E96-N100 PolarHBondContact O-ND2 3.3Å; R97-N100 PolarHBondContact O-N 3.34Å; M98-N100 VanDerWaalsContact C-N 3.27Å; M98-N100 PolarHBondContact O-N 3.18Å
101	D	98.1	Very high	98.3	Very high	24 Å²	24	57.4 Å²	57.4	13%	0.128	28%	0.282	C	S	.	.	S	Bend	trans	-105	127.2	173.4	-177.2	-71.7	0	0	0	109.1	R97 M98 K99 E103 G104 Y105 R239	R97-D101 PolarHBondContact O-N 3.16Å; M98-D101 PolarHBondContact O-N 3.34Å; M98-D101 VanDerWaalsContact O-N 3.13Å; K99-D101 VanDerWaalsContact C-N 3.27Å; D101-E103 VanDerWaalsContact C-N 3.28Å; D101-E103 PolarHBondContact O-N 3.48Å; D101-E103 WeakPolarHBondContact OD1-CA 3.49Å; D101-E103 WeakPolarHBondContact OD1-CB 3.45Å; D101-E103 PolarHBondContact OD1-N 3.37Å; D101-G104 PolarHBondContact O-N 3.36Å; D101-G104 PolarHBondContact OD1-N 2.83Å; D101-Y105 WeakPolarHBondContact O-CB 3.33Å; D101-Y105 PolarHBondContact O-N 2.72Å; D101-R239 VanDerWaalsContact CG-NH2 3.3Å; D101-R239 IonicContact OD1-CZ 3.23Å; D101-R239 IonicContact OD1-NE 3.01Å; D101-R239 IonicContact OD1-NH2 2.61Å; D101-R239 PolarHBondContact OD1-NH2 3.44Å; D101-R239 IonicContact OD2-CZ 3.29Å; D101-R239 IonicContact OD2-NE 3.9Å; D101-R239 PolarHBondContact OD2-NE 3.23Å; D101-R239 IonicContact OD2-NH2 2.88Å; D101-R239 PolarHBondContact OD2-NH2 2.83Å
102	P	97.6	Very high	98.3	Very high	110 Å²	110	58.4 Å²	58.4	71%	0.714	29%	0.289	S	S	*	.	H	α-helix	trans	-57.9	-37.6	-177.3	-27	34.9	0	0	0	114.3	T106	P102-T106 PolarHBondContact O-N 3.32Å; P102-T106 PolarHBondContact O-OG1 3.39Å
103	E	98.3	Very high	98.2	Very high	30 Å²	30	58.8 Å²	58.8	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-75.9	-42.7	177.3	-163.2	177.1	174.4	0	0	110.2	D101 Y105 T106 I107 R239 S243 F245 R249	D101-E103 VanDerWaalsContact C-N 3.28Å; D101-E103 PolarHBondContact O-N 3.48Å; D101-E103 WeakPolarHBondContact OD1-CA 3.49Å; D101-E103 WeakPolarHBondContact OD1-CB 3.45Å; D101-E103 PolarHBondContact OD1-N 3.37Å; E103-Y105 VanDerWaalsContact C-N 3.35Å; E103-Y105 PolarHBondContact O-N 3.22Å; E103-T106 WeakPolarHBondContact O-CB 3.23Å; E103-T106 PolarHBondContact O-N 2.67Å; E103-T106 VanDerWaalsContact O-N 3.14Å; E103-I107 HydrophobicContact CG-CD1 4.5Å; E103-I107 WeakPolarHBondContact O-CG1 3.2Å; E103-I107 PolarHBondContact O-N 2.94Å; E103-R239 IonicContact OE2-CZ 2.88Å; E103-R239 VanDerWaalsContact OE2-CZ 3.23Å; E103-R239 IonicContact OE2-NH1 3.75Å; E103-R239 PolarHBondContact OE2-NH1 3.4Å; E103-R239 IonicContact OE2-NH2 3.73Å; E103-R239 PolarHBondContact OE2-NH2 2.98Å; E103-S243 WeakPolarHBondContact CB-O 3.47Å; E103-S243 VanDerWaalsContact CG-O 3.29Å; E103-S243 WeakPolarHBondContact CG-O 3.47Å; E103-F245 HydrophobicContact CG-CD2 3.32Å; E103-F245 HydrophobicContact CG-CE2 3.8Å; E103-F245 HydrophobicContact CG-CG 4.34Å; E103-F245 WeakPolarHBondContact OE1-CB 3.48Å; E103-F245 PolarHBondContact OE1-N 2.94Å; E103-R249 IonicContact OE1-CZ 3.72Å; E103-R249 IonicContact OE1-NE 3.66Å; E103-R249 IonicContact OE1-NH2 3.46Å; E103-R249 PolarHBondContact OE1-NH2 2.81Å; E103-R249 IonicContact OE2-NH2 2.78Å; E103-R249 PolarHBondContact OE2-NH2 3.08Å; E103-R249 VanDerWaalsContact OE2-NH2 3.15Å
104	G	98.4	Very high	98.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-41.6	175.4	0	0	0	0	0	113.4	M98 D101 T106 I107 L108	M98-G104 CarbonylContact O-C 3.14Å; M98-G104 WeakPolarHBondContact O-CA 3.44Å; D101-G104 PolarHBondContact O-N 3.36Å; D101-G104 PolarHBondContact OD1-N 2.83Å; G104-T106 VanDerWaalsContact C-N 3.3Å; G104-T106 PolarHBondContact O-N 3.24Å; G104-I107 WeakPolarHBondContact O-CB 3.48Å; G104-I107 PolarHBondContact O-N 3.17Å; G104-L108 WeakPolarHBondContact O-CG 3.35Å; G104-L108 PolarHBondContact O-N 2.88Å
105	Y	98.3	Very high	97.9	Very high	135 Å²	135	57.7 Å²	57.7	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-43.2	175.2	-180	-90.7	0	0	0	111.3	M98 D101 E103 L108 T109	M98-Y105 PolarHBondContact O-N 2.88Å; D101-Y105 WeakPolarHBondContact O-CB 3.33Å; D101-Y105 PolarHBondContact O-N 2.72Å; E103-Y105 VanDerWaalsContact C-N 3.35Å; E103-Y105 PolarHBondContact O-N 3.22Å; Y105-L108 PolarHBondContact O-N 3.36Å; Y105-T109 PolarHBondContact O-N 3.2Å; Y105-T109 PolarHBondContact O-OG1 2.99Å; Y105-T109 VanDerWaalsContact O-OG1 3.05Å
106	T	98.5	Very high	97.7	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.288	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.8	-50.5	0	0	0	0	110.8	P102 E103 G104 L108 T109 E110 F245	P102-T106 PolarHBondContact O-N 3.32Å; P102-T106 PolarHBondContact O-OG1 3.39Å; E103-T106 WeakPolarHBondContact O-CB 3.23Å; E103-T106 PolarHBondContact O-N 2.67Å; E103-T106 VanDerWaalsContact O-N 3.14Å; G104-T106 VanDerWaalsContact C-N 3.3Å; G104-T106 PolarHBondContact O-N 3.24Å; T106-L108 PolarHBondContact O-N 2.92Å; T106-T109 WeakPolarHBondContact O-CB 3.48Å; T106-T109 PolarHBondContact O-N 2.94Å; T106-T109 VanDerWaalsContact O-N 3.11Å; T106-E110 HydrophobicContact CG2-CG 4.11Å; T106-E110 WeakPolarHBondContact CG2-OE1 3.35Å; T106-E110 PolarHBondContact O-N 3.23Å; T106-F245 HydrophobicContact CG2-CE2 3.96Å; T106-F245 HydrophobicContact CG2-CZ 3.75Å
107	I	98.6	Very high	97.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-42.9	174.3	-74.6	165.5	0	0	0	112	M98 E103 G104 T109 R111 Y163 S243 F245	M98-I107 HydrophobicContact CE-CB 4.3Å; M98-I107 HydrophobicContact CE-CG2 3.63Å; E103-I107 HydrophobicContact CG-CD1 4.5Å; E103-I107 WeakPolarHBondContact O-CG1 3.2Å; E103-I107 PolarHBondContact O-N 2.94Å; G104-I107 WeakPolarHBondContact O-CB 3.48Å; G104-I107 PolarHBondContact O-N 3.17Å; I107-T109 PolarHBondContact O-N 3.03Å; I107-R111 WeakPolarHBondContact O-CA 3.37Å; I107-R111 PolarHBondContact O-N 3.23Å; I107-Y163 HydrophobicContact CG2-CE1 4.08Å; I107-S243 WeakPolarHBondContact CD1-O 3.28Å; I107-F245 HydrophobicContact CB-CZ 4.35Å; I107-F245 HydrophobicContact CD1-CD1 4.35Å; I107-F245 HydrophobicContact CD1-CD2 4.22Å; I107-F245 HydrophobicContact CD1-CE2 4.35Å; I107-F245 HydrophobicContact CD1-CG 4.2Å; I107-F245 HydrophobicContact CD1-CZ 4.5Å; I107-F245 HydrophobicContact CG1-CD1 3.78Å; I107-F245 HydrophobicContact CG1-CD2 3.97Å; I107-F245 HydrophobicContact CG1-CE1 3.51Å; I107-F245 HydrophobicContact CG1-CE2 3.67Å; I107-F245 HydrophobicContact CG1-CG 4Å; I107-F245 HydrophobicContact CG1-CZ 3.43Å; I107-F245 VanDerWaalsContact CG1-CZ 3.43Å
108	L	98.4	Very high	97.4	Very high	6 Å²	6	59 Å²	59	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-26.1	177.3	-68.1	177.3	0	0	0	112.6	R95 M98 K99 G104 Y105 T106 R111 E160 Y163 I164	R95-L108 HydrophobicContact CG-CD1 4.47Å; M98-L108 HydrophobicContact CB-CD1 3.84Å; M98-L108 HydrophobicContact CB-CD2 4.46Å; M98-L108 HydrophobicContact CB-CG 4.15Å; M98-L108 HydrophobicContact CE-CD2 3.71Å; M98-L108 HydrophobicContact CE-CG 4.01Å; M98-L108 HydrophobicContact SD-CD2 4.1Å; K99-L108 HydrophobicContact CD-CD1 4.44Å; K99-L108 HydrophobicContact CG-CD1 3.48Å; K99-L108 VanDerWaalsContact CG-CD1 3.48Å; G104-L108 WeakPolarHBondContact O-CG 3.35Å; G104-L108 PolarHBondContact O-N 2.88Å; Y105-L108 PolarHBondContact O-N 3.36Å; T106-L108 PolarHBondContact O-N 2.92Å; L108-R111 WeakPolarHBondContact O-CG 3.45Å; L108-R111 PolarHBondContact O-NE 3.06Å; L108-E160 HydrophobicContact CD2-CG 4.42Å; L108-Y163 HydrophobicContact CD2-CD1 4.41Å; L108-I164 HydrophobicContact CD2-CD1 3.85Å; L108-I164 HydrophobicContact CD2-CG1 3.66Å
109	T	97.6	Very high	97.2	Very high	91 Å²	91	59.9 Å²	59.9	56%	0.558	31%	0.31	S	S	*	.	H	α-helix	trans	-84.6	-53.9	178	-52.8	0	0	0	0	111.7	Y105 T106 I107	Y105-T109 PolarHBondContact O-N 3.2Å; Y105-T109 PolarHBondContact O-OG1 2.99Å; Y105-T109 VanDerWaalsContact O-OG1 3.05Å; T106-T109 WeakPolarHBondContact O-CB 3.48Å; T106-T109 PolarHBondContact O-N 2.94Å; T106-T109 VanDerWaalsContact O-N 3.11Å; I107-T109 PolarHBondContact O-N 3.03Å
110	E	98.3	Very high	97.1	Very high	104 Å²	104	60.8 Å²	60.8	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-76.1	-26.4	-174.8	-70.5	-172.8	-154.5	0	0	113.7	T106 R248	T106-E110 HydrophobicContact CG2-CG 4.11Å; T106-E110 WeakPolarHBondContact CG2-OE1 3.35Å; T106-E110 PolarHBondContact O-N 3.23Å; E110-R248 IonicContact OE1-CZ 3.81Å; E110-R248 IonicContact OE1-NH2 3.8Å; E110-R248 PolarHBondContact OE1-NH2 2.93Å; E110-R248 IonicContact OE2-CZ 2.92Å; E110-R248 IonicContact OE2-NH2 2.67Å; E110-R248 PolarHBondContact OE2-NH2 2.98Å
111	R	97.8	Very high	97	Very high	65 Å²	65	57.1 Å²	57.1	25%	0.245	30%	0.299	C	S	.	.			trans	51.4	51.2	178.9	-59.5	178.2	178.5	-120.3	9.6	114.2	I107 L108 E159 Y163	I107-R111 WeakPolarHBondContact O-CA 3.37Å; I107-R111 PolarHBondContact O-N 3.23Å; L108-R111 WeakPolarHBondContact O-CG 3.45Å; L108-R111 PolarHBondContact O-NE 3.06Å; R111-E159 IonicContact CZ-OE1 3.34Å; R111-E159 IonicContact CZ-OE2 3.77Å; R111-E159 IonicContact NH1-OE1 3.07Å; R111-E159 PolarHBondContact NH1-OE1 3.29Å; R111-E159 IonicContact NH1-OE2 3.23Å; R111-E159 PolarHBondContact NH1-OE2 2.64Å; R111-E159 IonicContact NH2-OE1 2.78Å; R111-E159 IonicContact NH2-OE2 2.68Å; R111-E159 PolarHBondContact NH2-OE2 3.27Å; R111-Y163 WeakPolarHBondContact CA-OH 3.39Å; R111-Y163 HydrophobicContact CB-CD2 3.93Å; R111-Y163 HydrophobicContact CB-CE1 4.34Å; R111-Y163 HydrophobicContact CB-CE2 3.58Å; R111-Y163 HydrophobicContact CB-CG 4.47Å; R111-Y163 HydrophobicContact CG-CD1 4.12Å; R111-Y163 HydrophobicContact CG-CD2 4.07Å; R111-Y163 HydrophobicContact CG-CE1 4.11Å; R111-Y163 HydrophobicContact CG-CE2 4.08Å; R111-Y163 HydrophobicContact CG-CG 4.12Å
112	P	97.8	Very high	96.9	Very high	22 Å²	22	64 Å²	64	14%	0.143	33%	0.33	C	S	.	.			trans	-58.5	149.4	178	30.5	-39.4	0	0	0	111	Y163 F245 E247	P112-Y163 VanDerWaalsContact CD-OH 3.28Å; P112-Y163 WeakPolarHBondContact CD-OH 3.4Å; P112-Y163 PolarHBondContact O-OH 3.16Å; P112-F245 HydrophobicContact CG-CD1 4.01Å; P112-F245 HydrophobicContact CG-CE1 3.77Å; P112-E247 HydrophobicContact CB-CG 4.1Å; P112-E247 WeakPolarHBondContact CB-OE1 3.48Å
113	R	96.9	Very high	96.9	Very high	57 Å²	57	63.3 Å²	63.3	22%	0.215	32%	0.316	C	S	.	.			trans	-120.2	139.7	-178.8	-62.6	-62.3	-60.6	-99.5	2.3	110.2	R115 T118 E152 L166 E170	R113-R115 HydrophobicContact CB-CG 4.49Å; R113-R115 VanDerWaalsContact CZ-NH2 3.32Å; R113-R115 VanDerWaalsContact NH1-NH2 3.17Å; R113-R115 VanDerWaalsContact NH2-NE 3.15Å; R113-T118 PolarHBondContact O-OG1 2.82Å; R113-E152 IonicContact CZ-OE1 2.77Å; R113-E152 IonicContact NH1-OE2 3.38Å; R113-E152 IonicContact NH2-OE1 2.86Å; R113-E152 PolarHBondContact NH2-OE1 3.11Å; R113-E152 IonicContact NH2-OE2 3.08Å; R113-L166 VanDerWaalsContact NH1-CD2 3.34Å; R113-E170 WeakPolarHBondContact CA-OE2 3.29Å; R113-E170 IonicContact CZ-OE1 3.51Å; R113-E170 IonicContact NE-OE1 2.69Å; R113-E170 PolarHBondContact NE-OE1 2.78Å; R113-E170 IonicContact NE-OE2 3.75Å; R113-E170 PolarHBondContact NE-OE2 3.04Å; R113-E170 IonicContact NH2-OE1 2.99Å; R113-E170 PolarHBondContact NH2-OE1 2.78Å
114	I	96.1	Very high	96.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.			trans	-106.8	96.4	173.4	-58.6	150.9	0	0	0	107.8	P147 E170 V171 L174 E247	I114-P147 HydrophobicContact CG2-CB 4.45Å; I114-E170 HydrophobicContact CB-CB 4.23Å; I114-E170 HydrophobicContact CD1-CB 4.34Å; I114-E170 PolarHBondContact N-OE2 2.88Å; I114-V171 HydrophobicContact CD1-CG1 3.94Å; I114-L174 HydrophobicContact CD1-CD1 3.54Å; I114-E247 HydrophobicContact CG1-CG 3.86Å
115	R	95.3	Very high	96.8	Very high	83 Å²	83	63.8 Å²	63.8	31%	0.313	33%	0.325	S	S	.	.	S	Bend	trans	-134.6	160.6	-178.2	-72.4	179.9	173.2	-178.2	-6.8	109.2	R113 S117 T118 L119 D148 E152	R113-R115 HydrophobicContact CB-CG 4.49Å; R113-R115 VanDerWaalsContact CZ-NH2 3.32Å; R113-R115 VanDerWaalsContact NH1-NH2 3.17Å; R113-R115 VanDerWaalsContact NH2-NE 3.15Å; R115-S117 PolarHBondContact O-N 3.23Å; R115-S117 VanDerWaalsContact O-N 3.15Å; R115-T118 PolarHBondContact N-OG1 2.75Å; R115-T118 PolarHBondContact O-N 2.88Å; R115-T118 PolarHBondContact O-OG1 2.95Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 3.36Å; R115-D148 WeakPolarHBondContact CA-OD1 3.47Å; R115-D148 WeakPolarHBondContact CB-OD1 3.36Å; R115-E152 IonicContact CZ-OE1 2.63Å; R115-E152 IonicContact NH2-OE1 3.93Å; R115-E152 PolarHBondContact NH2-OE1 2.79Å
116	L	94	Very high	96.8	Very high	78 Å²	78	61.8 Å²	61.8	41%	0.408	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.9	-36.3	174.8	-174.3	62.1	0	0	0	111.7	T118 L119 L121 D148	L116-T118 PolarHBondContact O-N 3.15Å; L116-L119 PolarHBondContact O-N 2.74Å; L116-L121 HydrophobicContact CD1-CD1 3.46Å; L116-L121 VanDerWaalsContact CD1-CD1 3.46Å; L116-L121 HydrophobicContact CD1-CD2 4.27Å; L116-L121 HydrophobicContact CD1-CG 4.05Å; L116-D148 VanDerWaalsContact CB-OD2 3.25Å; L116-D148 WeakPolarHBondContact CB-OD2 3.46Å; L116-D148 PolarHBondContact N-OD1 3.39Å
117	S	95.2	Very high	96.8	Very high	100 Å²	100	60.6 Å²	60.6	70%	0.699	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.4	177.3	62.5	0	0	0	0	114.7	R115	R115-S117 PolarHBondContact O-N 3.23Å; R115-S117 VanDerWaalsContact O-N 3.15Å
118	T	95	Very high	96.8	Very high	77 Å²	77	65.1 Å²	65.1	47%	0.472	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-104.3	-5.6	-179.3	61.4	0	0	0	0	113	R113 R115 L116	R113-T118 PolarHBondContact O-OG1 2.82Å; R115-T118 PolarHBondContact N-OG1 2.75Å; R115-T118 PolarHBondContact O-N 2.88Å; R115-T118 PolarHBondContact O-OG1 2.95Å; L116-T118 PolarHBondContact O-N 3.15Å
119	L	95.2	Very high	96.8	Very high	18 Å²	18	70.3 Å²	70.3	9%	0.094	38%	0.383	C	S	.	.			trans	-99.9	132.5	179.2	-62.6	178.3	0	0	0	111.2	R115 L116 L121 M124 Y136 P147 W250	R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 2.74Å; L119-L121 HydrophobicContact CB-CD2 3.89Å; L119-L121 HydrophobicContact CD1-CD2 4.35Å; L119-L121 PolarHBondContact O-N 2.89Å; L119-M124 HydrophobicContact CB-SD 4.15Å; L119-M124 HydrophobicContact CD2-SD 4.15Å; L119-Y136 HydrophobicContact CD1-CE1 4.03Å; L119-P147 HydrophobicContact CD1-CG 3.81Å; L119-W250 HydrophobicContact CD2-CH2 3.98Å; L119-W250 HydrophobicContact CD2-CZ2 3.38Å
120	D	96.4	Very high	96.8	Very high	90 Å²	90	67.2 Å²	67.2	48%	0.481	37%	0.37	S	S	.	.			trans	-89.2	87.7	167.9	-174.1	-18.3	0	0	0	109.1	E122 K123 M124	D120-E122 VanDerWaalsContact C-N 3.31Å; D120-E122 PolarHBondContact O-N 2.86Å; D120-E122 PolarHBondContact OD1-N 2.68Å; D120-K123 HydrophobicContact CB-CB 3.91Å; D120-K123 PolarHBondContact O-N 3.27Å; D120-K123 WeakPolarHBondContact OD1-CB 3.34Å; D120-K123 PolarHBondContact OD1-N 3.42Å; D120-K123 WeakPolarHBondContact OD2-CB 3.22Å; D120-M124 VanDerWaalsContact O-CG 3.28Å; D120-M124 WeakPolarHBondContact O-CG 3.39Å; D120-M124 PolarHBondContact O-N 3.48Å
121	L	95.2	Very high	96.8	Very high	62 Å²	62	62.5 Å²	62.5	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-34.4	-175.8	-60.9	-170.2	0	0	0	113	L116 L119 M124 A125 L137	L116-L121 HydrophobicContact CD1-CD1 3.46Å; L116-L121 VanDerWaalsContact CD1-CD1 3.46Å; L116-L121 HydrophobicContact CD1-CD2 4.27Å; L116-L121 HydrophobicContact CD1-CG 4.05Å; L119-L121 HydrophobicContact CB-CD2 3.89Å; L119-L121 HydrophobicContact CD1-CD2 4.35Å; L119-L121 PolarHBondContact O-N 2.89Å; L121-M124 HydrophobicContact CD2-SD 4.39Å; L121-M124 PolarHBondContact O-N 3.4Å; L121-A125 VanDerWaalsContact O-CB 3.31Å; L121-A125 WeakPolarHBondContact O-CB 3.39Å; L121-A125 PolarHBondContact O-N 3.43Å; L121-L137 HydrophobicContact CD2-CD1 4.18Å
122	E	96.6	Very high	96.8	Very high	169 Å²	169	59.4 Å²	59.4	79%	0.79	34%	0.336	S	S	*	.	H	α-helix	trans	-66.2	-45.3	178.1	-66.6	-174.7	-179.6	0	0	110.1	D120 A125 S126	D120-E122 VanDerWaalsContact C-N 3.31Å; D120-E122 PolarHBondContact O-N 2.86Å; D120-E122 PolarHBondContact OD1-N 2.68Å; E122-A125 PolarHBondContact O-N 2.8Å; E122-S126 PolarHBondContact O-N 2.97Å
123	K	97.3	Very high	96.8	Very high	95 Å²	95	58.4 Å²	58.4	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-49.1	173.7	-175.8	179.6	176.6	-167.4	0	111.3	D120 A125 S126 L127 E251	D120-K123 HydrophobicContact CB-CB 3.91Å; D120-K123 PolarHBondContact O-N 3.27Å; D120-K123 WeakPolarHBondContact OD1-CB 3.34Å; D120-K123 PolarHBondContact OD1-N 3.42Å; D120-K123 WeakPolarHBondContact OD2-CB 3.22Å; K123-A125 VanDerWaalsContact C-N 3.25Å; K123-A125 PolarHBondContact O-N 3.38Å; K123-S126 WeakPolarHBondContact O-CA 3.4Å; K123-S126 WeakPolarHBondContact O-CB 3.23Å; K123-S126 PolarHBondContact O-N 3.49Å; K123-S126 PolarHBondContact O-OG 3.14Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å; K123-L127 PolarHBondContact O-N 3Å; K123-E251 WeakPolarHBondContact CE-OE1 3.12Å; K123-E251 IonicContact NZ-OE1 2.75Å; K123-E251 PolarHBondContact NZ-OE1 3.44Å
124	M	97.7	Very high	96.9	Very high	3 Å²	3	60 Å²	60	2%	0.015	34%	0.336	C	S	.	.	H	α-helix	trans	-58.6	-37.2	178.3	-71.1	171.3	72.3	0	0	112.4	L119 D120 L121 S126 L127 G133 Y136 L137 W250	L119-M124 HydrophobicContact CB-SD 4.15Å; L119-M124 HydrophobicContact CD2-SD 4.15Å; D120-M124 VanDerWaalsContact O-CG 3.28Å; D120-M124 WeakPolarHBondContact O-CG 3.39Å; D120-M124 PolarHBondContact O-N 3.48Å; L121-M124 HydrophobicContact CD2-SD 4.39Å; L121-M124 PolarHBondContact O-N 3.4Å; M124-S126 VanDerWaalsContact C-N 3.33Å; M124-L127 PolarHBondContact O-N 2.68Å; M124-G133 VanDerWaalsContact CE-O 3.24Å; M124-G133 WeakPolarHBondContact CE-O 3.44Å; M124-Y136 HydrophobicContact CE-CD1 3.72Å; M124-L137 HydrophobicContact CB-CD2 4.27Å; M124-L137 HydrophobicContact CE-CB 4.42Å; M124-W250 HydrophobicContact CE-CD2 4.4Å; M124-W250 HydrophobicContact CE-CE3 4.1Å; M124-W250 HydrophobicContact CE-CZ3 4.34Å
125	A	97.5	Very high	97	Very high	38 Å²	38	60.9 Å²	60.9	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-34.1	172.5	0	0	0	0	0	111.9	L121 E122 K123 L127 R134 L137	L121-A125 VanDerWaalsContact O-CB 3.31Å; L121-A125 WeakPolarHBondContact O-CB 3.39Å; L121-A125 PolarHBondContact O-N 3.43Å; E122-A125 PolarHBondContact O-N 2.8Å; K123-A125 VanDerWaalsContact C-N 3.25Å; K123-A125 PolarHBondContact O-N 3.38Å; A125-L127 VanDerWaalsContact C-N 3.27Å; A125-L127 PolarHBondContact O-N 2.96Å; A125-R134 PolarHBondContact O-NH1 3.35Å; A125-L137 HydrophobicContact CB-CD2 3.67Å
126	S	98.1	Very high	97.1	Very high	93 Å²	93	56.9 Å²	56.9	65%	0.65	33%	0.325	S	S	*	.	H	α-helix	trans	-74.8	-13.8	177.5	76.2	0	0	0	0	114.5	E122 K123 M124	E122-S126 PolarHBondContact O-N 2.97Å; K123-S126 WeakPolarHBondContact O-CA 3.4Å; K123-S126 WeakPolarHBondContact O-CB 3.23Å; K123-S126 PolarHBondContact O-N 3.49Å; K123-S126 PolarHBondContact O-OG 3.14Å; M124-S126 VanDerWaalsContact C-N 3.33Å
127	L	98.4	Very high	97.3	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	31%	0.309	C	S	.	.	S	Bend	trans	-68.6	152.6	-176.3	-62.6	178.7	0	0	0	112.7	K123 M124 A125 S131 R134 W250 E251	K123-L127 WeakPolarHBondContact O-CG 3.48Å; K123-L127 PolarHBondContact O-N 3Å; M124-L127 PolarHBondContact O-N 2.68Å; A125-L127 VanDerWaalsContact C-N 3.27Å; A125-L127 PolarHBondContact O-N 2.96Å; L127-S131 WeakPolarHBondContact CB-OG 3.27Å; L127-R134 HydrophobicContact CB-CB 4.18Å; L127-W250 HydrophobicContact CD1-CB 4.02Å; L127-W250 WeakPolarHBondContact CD1-O 3.3Å; L127-E251 HydrophobicContact CD2-CG 3.75Å
128	P	98.2	Very high	97.4	Very high	95 Å²	95	53.6 Å²	53.6	62%	0.617	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-56.3	145.8	177.1	-24.1	34.1	0	0	0	112.6	G130 S131 R134	P128-G130 PolarHBondContact O-N 3.17Å; P128-S131 VanDerWaalsContact O-CB 3.28Å; P128-S131 WeakPolarHBondContact O-CB 3.23Å; P128-S131 PolarHBondContact O-N 3.37Å; P128-S131 PolarHBondContact O-OG 3.31Å; P128-R134 WeakPolarHBondContact O-CB 3.37Å
129	V	98	Very high	97.5	Very high	116 Å²	116	50.6 Å²	50.6	70%	0.703	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	135.4	169.4	177.8	0	0	0	0	109.2	S131	V129-S131 VanDerWaalsContact C-N 3.33Å
130	G	97.1	Very high	97.5	Very high	26 Å²	26	50.3 Å²	50.3	27%	0.268	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-7.3	-174	0	0	0	0	0	114.9	P128 E135 L254	P128-G130 PolarHBondContact O-N 3.17Å; G130-E135 PolarHBondContact N-OE1 2.99Å; G130-L254 VanDerWaalsContact O-CB 3.32Å; G130-L254 WeakPolarHBondContact O-CB 3.28Å; G130-L254 PolarHBondContact O-N 3.42Å
131	S	98.6	Very high	97.4	Very high	5 Å²	5	52 Å²	52	4%	0.035	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-71.6	145.3	164.6	66.2	0	0	0	0	110.8	L127 P128 V129 G133 R134 E135 Q252	L127-S131 WeakPolarHBondContact CB-OG 3.27Å; P128-S131 VanDerWaalsContact O-CB 3.28Å; P128-S131 WeakPolarHBondContact O-CB 3.23Å; P128-S131 PolarHBondContact O-N 3.37Å; P128-S131 PolarHBondContact O-OG 3.31Å; V129-S131 VanDerWaalsContact C-N 3.33Å; S131-G133 VanDerWaalsContact C-N 3.32Å; S131-G133 PolarHBondContact O-N 2.92Å; S131-R134 PolarHBondContact O-N 2.78Å; S131-R134 VanDerWaalsContact O-N 3.15Å; S131-R134 WeakPolarHBondContact OG-CB 3.18Å; S131-R134 PolarHBondContact OG-N 3.44Å; S131-E135 WeakPolarHBondContact O-CG 3.37Å; S131-E135 PolarHBondContact O-N 3.32Å; S131-Q252 CarbonylContact C-O 3.59Å; S131-Q252 WeakPolarHBondContact CA-O 3.5Å
132	F	98.4	Very high	97.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-43.3	-173.7	-180	-119	0	0	0	112.8	E135 Y136 L174 T177 Y246 W250 Q252 L254 L257	F132-E135 PolarHBondContact O-N 3.07Å; F132-Y136 WeakPolarHBondContact O-CB 3.18Å; F132-Y136 PolarHBondContact O-N 2.91Å; F132-L174 HydrophobicContact CE1-CD2 3.99Å; F132-L174 HydrophobicContact CZ-CB 4.04Å; F132-L174 HydrophobicContact CZ-CD1 4.47Å; F132-L174 HydrophobicContact CZ-CD2 3.67Å; F132-L174 HydrophobicContact CZ-CG 4.29Å; F132-T177 HydrophobicContact CD2-CG2 4.37Å; F132-T177 HydrophobicContact CE2-CG2 4.24Å; F132-Y246 AromaticContact CE1-CD1 3.56Å; F132-Y246 HydrophobicContact CE1-CD1 3.56Å; F132-Y246 HydrophobicContact CE1-CE1 4.49Å; F132-Y246 HydrophobicContact CE1-CG 4.21Å; F132-Y246 AromaticContact CZ-CD1 3.57Å; F132-Y246 HydrophobicContact CZ-CD1 3.57Å; F132-Y246 HydrophobicContact CZ-CE1 4.11Å; F132-Y246 HydrophobicContact CZ-CG 4.43Å; F132-W250 AromaticContact CD1-CE3 3.72Å; F132-W250 HydrophobicContact CD1-CE3 3.72Å; F132-W250 AromaticContact CD1-CZ3 3.84Å; F132-W250 HydrophobicContact CD1-CZ3 3.84Å; F132-W250 AromaticContact CE1-CE3 3.91Å; F132-W250 HydrophobicContact CE1-CE3 3.91Å; F132-W250 HydrophobicContact CE1-CH2 4.45Å; F132-W250 AromaticContact CE1-CZ3 3.52Å; F132-W250 HydrophobicContact CE1-CZ3 3.52Å; F132-W250 HydrophobicContact CZ-CZ3 4.47Å; F132-W250 PolarHBondContact N-O 3.08Å; F132-Q252 WeakPolarHBondContact CB-O 3.42Å; F132-Q252 PolarHBondContact N-O 2.88Å; F132-L254 HydrophobicContact CD2-CD1 3.98Å; F132-L257 HydrophobicContact CB-CD2 4.33Å; F132-L257 HydrophobicContact CD1-CD2 4.04Å; F132-L257 HydrophobicContact CD2-CD2 3.78Å; F132-L257 HydrophobicContact CE1-CD2 4.26Å; F132-L257 HydrophobicContact CE2-CD2 4.01Å; F132-L257 HydrophobicContact CG-CD2 3.78Å; F132-L257 HydrophobicContact CZ-CD2 4.22Å
133	G	98.3	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-41.9	177.1	0	0	0	0	0	112.9	M124 S131 E135 Y136 L137 W250	M124-G133 VanDerWaalsContact CE-O 3.24Å; M124-G133 WeakPolarHBondContact CE-O 3.44Å; S131-G133 VanDerWaalsContact C-N 3.32Å; S131-G133 PolarHBondContact O-N 2.92Å; G133-E135 VanDerWaalsContact C-N 3.34Å; G133-E135 PolarHBondContact O-N 2.85Å; G133-Y136 PolarHBondContact O-N 3.47Å; G133-L137 WeakPolarHBondContact O-CB 3.3Å; G133-L137 PolarHBondContact O-N 3.06Å; G133-W250 PolarHBondContact N-O 3.03Å
134	R	98.4	Very high	96.7	Very high	90 Å²	90	53 Å²	53	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176.3	-178.8	63	-171.9	-158.2	4.7	111.4	A125 L127 P128 S131 L137 R138	A125-R134 PolarHBondContact O-NH1 3.35Å; L127-R134 HydrophobicContact CB-CB 4.18Å; P128-R134 WeakPolarHBondContact O-CB 3.37Å; S131-R134 PolarHBondContact O-N 2.78Å; S131-R134 VanDerWaalsContact O-N 3.15Å; S131-R134 WeakPolarHBondContact OG-CB 3.18Å; S131-R134 PolarHBondContact OG-N 3.44Å; R134-L137 PolarHBondContact O-N 2.9Å; R134-R138 PolarHBondContact O-N 3.31Å
135	E	98.1	Very high	96.4	Very high	19 Å²	19	55.3 Å²	55.3	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-73.1	-34.1	-179.4	-55.9	-50.3	-133.2	0	0	112.7	G130 S131 F132 G133 R138 F139 T177 L254	G130-E135 PolarHBondContact N-OE1 2.99Å; S131-E135 WeakPolarHBondContact O-CG 3.37Å; S131-E135 PolarHBondContact O-N 3.32Å; F132-E135 PolarHBondContact O-N 3.07Å; G133-E135 VanDerWaalsContact C-N 3.34Å; G133-E135 PolarHBondContact O-N 2.85Å; E135-R138 PolarHBondContact O-N 3.3Å; E135-R138 IonicContact OE1-CZ 2.95Å; E135-R138 VanDerWaalsContact OE1-CZ 3.26Å; E135-R138 IonicContact OE1-NH1 2.67Å; E135-R138 PolarHBondContact OE1-NH1 3.32Å; E135-R138 IonicContact OE1-NH2 3.08Å; E135-R138 PolarHBondContact OE1-NH2 3.34Å; E135-R138 IonicContact OE2-CZ 2.63Å; E135-R138 IonicContact OE2-NE 3.97Å; E135-R138 IonicContact OE2-NH1 2.78Å; E135-R138 PolarHBondContact OE2-NH1 3.48Å; E135-R138 IonicContact OE2-NH2 3.26Å; E135-R138 PolarHBondContact OE2-NH2 2.89Å; E135-R138 VanDerWaalsContact OE2-NH2 3.08Å; E135-F139 PolarHBondContact O-N 2.99Å; E135-T177 HydrophobicContact CB-CG2 3.79Å; E135-L254 HydrophobicContact CB-CD2 4.31Å; E135-L254 HydrophobicContact CG-CD2 4.04Å
136	Y	98.1	Very high	96.2	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-42.8	173.1	178.3	-132.4	0	0	0	111.7	L119 M124 F132 G133 R138 F139 L140 D173 L174 W250	L119-Y136 HydrophobicContact CD1-CE1 4.03Å; M124-Y136 HydrophobicContact CE-CD1 3.72Å; F132-Y136 WeakPolarHBondContact O-CB 3.18Å; F132-Y136 PolarHBondContact O-N 2.91Å; G133-Y136 PolarHBondContact O-N 3.47Å; Y136-R138 VanDerWaalsContact C-N 3.33Å; Y136-R138 PolarHBondContact O-N 3.46Å; Y136-F139 HydrophobicContact CD2-CD1 4.31Å; Y136-F139 HydrophobicContact CE2-CD1 4.32Å; Y136-F139 WeakPolarHBondContact O-CB 3.41Å; Y136-F139 PolarHBondContact O-N 2.88Å; Y136-F139 VanDerWaalsContact O-N 3.15Å; Y136-L140 HydrophobicContact CD1-CD1 4.35Å; Y136-L140 HydrophobicContact CD2-CG 4.26Å; Y136-L140 HydrophobicContact CE1-CD1 3.89Å; Y136-L140 HydrophobicContact CE1-CG 4.43Å; Y136-L140 HydrophobicContact CE2-CD1 4.26Å; Y136-L140 HydrophobicContact CE2-CD2 3.76Å; Y136-L140 HydrophobicContact CE2-CG 3.9Å; Y136-L140 WeakPolarHBondContact O-CG 3.41Å; Y136-L140 PolarHBondContact O-N 2.89Å; Y136-D173 HydrophobicContact CE2-CB 3.83Å; Y136-L174 HydrophobicContact CD1-CD2 3.44Å; Y136-L174 VanDerWaalsContact CD1-CD2 3.44Å; Y136-L174 HydrophobicContact CD2-CD2 3.5Å; Y136-L174 HydrophobicContact CD2-CG 4.47Å; Y136-L174 HydrophobicContact CE1-CD2 3.55Å; Y136-L174 HydrophobicContact CE2-CD2 3.57Å; Y136-L174 HydrophobicContact CE2-CG 4.19Å; Y136-L174 HydrophobicContact CG-CD2 3.42Å; Y136-L174 VanDerWaalsContact CG-CD2 3.42Å; Y136-W250 HydrophobicContact CD1-CH2 4.19Å; Y136-W250 AromaticContact CD1-CZ3 3.86Å; Y136-W250 HydrophobicContact CD1-CZ3 3.86Å; Y136-W250 HydrophobicContact CE1-CH2 4.38Å; Y136-W250 HydrophobicContact CE1-CZ3 4.49Å
137	L	97.8	Very high	95.9	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-46	174.8	179.4	59.5	0	0	0	111.2	L121 M124 A125 G133 R134 F139 L140 E141	L121-L137 HydrophobicContact CD2-CD1 4.18Å; M124-L137 HydrophobicContact CB-CD2 4.27Å; M124-L137 HydrophobicContact CE-CB 4.42Å; A125-L137 HydrophobicContact CB-CD2 3.67Å; G133-L137 WeakPolarHBondContact O-CB 3.3Å; G133-L137 PolarHBondContact O-N 3.06Å; R134-L137 PolarHBondContact O-N 2.9Å; L137-F139 VanDerWaalsContact C-N 3.29Å; L137-F139 PolarHBondContact O-N 3.43Å; L137-L140 PolarHBondContact O-N 3.08Å; L137-L140 VanDerWaalsContact O-N 3.16Å; L137-E141 HydrophobicContact CD1-CG 4.39Å; L137-E141 WeakPolarHBondContact O-CG 3.41Å; L137-E141 PolarHBondContact O-N 2.73Å
138	R	97.1	Very high	95.6	Very high	94 Å²	94	54.9 Å²	54.9	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-57.6	-43.1	174.6	-176.5	177.9	66.9	-139	-4.8	111.6	R134 E135 Y136 L140 E141 E142	R134-R138 PolarHBondContact O-N 3.31Å; E135-R138 PolarHBondContact O-N 3.3Å; E135-R138 IonicContact OE1-CZ 2.95Å; E135-R138 VanDerWaalsContact OE1-CZ 3.26Å; E135-R138 IonicContact OE1-NH1 2.67Å; E135-R138 PolarHBondContact OE1-NH1 3.32Å; E135-R138 IonicContact OE1-NH2 3.08Å; E135-R138 PolarHBondContact OE1-NH2 3.34Å; E135-R138 IonicContact OE2-CZ 2.63Å; E135-R138 IonicContact OE2-NE 3.97Å; E135-R138 IonicContact OE2-NH1 2.78Å; E135-R138 PolarHBondContact OE2-NH1 3.48Å; E135-R138 IonicContact OE2-NH2 3.26Å; E135-R138 PolarHBondContact OE2-NH2 2.89Å; E135-R138 VanDerWaalsContact OE2-NH2 3.08Å; Y136-R138 VanDerWaalsContact C-N 3.33Å; Y136-R138 PolarHBondContact O-N 3.46Å; R138-L140 PolarHBondContact O-N 3.22Å; R138-E141 PolarHBondContact O-N 3.15Å; R138-E142 WeakPolarHBondContact CD-OE1 3.45Å; R138-E142 HydrophobicContact CG-CG 4.12Å; R138-E142 VanDerWaalsContact CG-OE1 3.25Å; R138-E142 WeakPolarHBondContact CG-OE1 3.33Å; R138-E142 IonicContact NE-OE1 3.12Å; R138-E142 WeakPolarHBondContact O-CB 3.29Å; R138-E142 WeakPolarHBondContact O-CG 3.07Å; R138-E142 PolarHBondContact O-N 3.2Å
139	F	96.3	Very high	95.1	Very high	14 Å²	14	53.8 Å²	53.8	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-47.2	175.6	170.5	-87.9	0	0	0	111.8	E135 Y136 L137 E141 N143 V145 D173 H176 T177 T183	E135-F139 PolarHBondContact O-N 2.99Å; Y136-F139 HydrophobicContact CD2-CD1 4.31Å; Y136-F139 HydrophobicContact CE2-CD1 4.32Å; Y136-F139 WeakPolarHBondContact O-CB 3.41Å; Y136-F139 PolarHBondContact O-N 2.88Å; Y136-F139 VanDerWaalsContact O-N 3.15Å; L137-F139 VanDerWaalsContact C-N 3.29Å; L137-F139 PolarHBondContact O-N 3.43Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 3.41Å; F139-N143 VanDerWaalsContact CD2-ND2 3.26Å; F139-N143 WeakPolarHBondContact CD2-ND2 3.37Å; F139-N143 VanDerWaalsContact CE2-ND2 3.34Å; F139-N143 WeakPolarHBondContact CE2-ND2 3.47Å; F139-N143 WeakPolarHBondContact O-CB 3.5Å; F139-N143 PolarHBondContact O-N 3.04Å; F139-N143 VanDerWaalsContact O-N 3.1Å; F139-N143 PolarHBondContact O-ND2 3.15Å; F139-V145 HydrophobicContact CE1-CG2 4.03Å; F139-D173 HydrophobicContact CD1-CB 4.38Å; F139-D173 HydrophobicContact CE1-CB 3.69Å; F139-D173 HydrophobicContact CZ-CB 4.45Å; F139-H176 HydrophobicContact CD2-CB 3.98Å; F139-H176 HydrophobicContact CE1-CB 4.46Å; F139-H176 HydrophobicContact CE2-CB 3.28Å; F139-H176 AromaticContact CE2-CG 3.82Å; F139-H176 HydrophobicContact CZ-CB 3.57Å; F139-H176 AromaticContact CZ-CG 3.88Å; F139-T177 WeakPolarHBondContact CB-OG1 3.45Å; F139-T183 HydrophobicContact CE2-CG2 3.71Å; F139-T183 HydrophobicContact CZ-CG2 3.54Å
140	L	95.1	Very high	94.8	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-44.8	178.7	-65.8	176.6	0	0	0	111.5	Y136 L137 R138 K144 V145 P147	Y136-L140 HydrophobicContact CD1-CD1 4.35Å; Y136-L140 HydrophobicContact CD2-CG 4.26Å; Y136-L140 HydrophobicContact CE1-CD1 3.89Å; Y136-L140 HydrophobicContact CE1-CG 4.43Å; Y136-L140 HydrophobicContact CE2-CD1 4.26Å; Y136-L140 HydrophobicContact CE2-CD2 3.76Å; Y136-L140 HydrophobicContact CE2-CG 3.9Å; Y136-L140 WeakPolarHBondContact O-CG 3.41Å; Y136-L140 PolarHBondContact O-N 2.89Å; L137-L140 PolarHBondContact O-N 3.08Å; L137-L140 VanDerWaalsContact O-N 3.16Å; R138-L140 PolarHBondContact O-N 3.22Å; L140-K144 WeakPolarHBondContact O-CA 3.39Å; L140-K144 PolarHBondContact O-N 3.14Å; L140-V145 HydrophobicContact CD2-CG2 3.82Å; L140-V145 PolarHBondContact O-N 3.41Å; L140-V145 VanDerWaalsContact O-N 3.11Å; L140-P147 HydrophobicContact CD1-CG 4.06Å; L140-P147 HydrophobicContact CD2-CG 4.42Å
141	E	94.6	Very high	94.5	Very high	126 Å²	126	51.6 Å²	51.6	59%	0.589	26%	0.256	S	S	*	.	H	α-helix	trans	-65.2	-49.1	-179.8	-70.1	176.4	160.5	0	0	112.6	L137 R138 F139 N143 K144	L137-E141 HydrophobicContact CD1-CG 4.39Å; L137-E141 WeakPolarHBondContact O-CG 3.41Å; L137-E141 PolarHBondContact O-N 2.73Å; R138-E141 PolarHBondContact O-N 3.15Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 3.41Å; E141-N143 VanDerWaalsContact C-N 3.32Å; E141-N143 PolarHBondContact O-N 3.5Å; E141-K144 PolarHBondContact O-N 2.97Å
142	E	93.3	Very high	94.3	Very high	121 Å²	121	55.2 Å²	55.2	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-39	-178.7	-74.7	177.9	179.5	0	0	112	R138	R138-E142 WeakPolarHBondContact CD-OE1 3.45Å; R138-E142 HydrophobicContact CG-CG 4.12Å; R138-E142 VanDerWaalsContact CG-OE1 3.25Å; R138-E142 WeakPolarHBondContact CG-OE1 3.33Å; R138-E142 IonicContact NE-OE1 3.12Å; R138-E142 WeakPolarHBondContact O-CB 3.29Å; R138-E142 WeakPolarHBondContact O-CG 3.07Å; R138-E142 PolarHBondContact O-N 3.2Å
143	N	90.4	Very high	94.3	Very high	31 Å²	31	55.5 Å²	55.5	17%	0.166	27%	0.274	C	S	.	.	H	α-helix	trans	-89.7	-7.7	-178	-63.7	-80	0	0	0	113	F139 E141 V145 T183	F139-N143 VanDerWaalsContact CD2-ND2 3.26Å; F139-N143 WeakPolarHBondContact CD2-ND2 3.37Å; F139-N143 VanDerWaalsContact CE2-ND2 3.34Å; F139-N143 WeakPolarHBondContact CE2-ND2 3.47Å; F139-N143 WeakPolarHBondContact O-CB 3.5Å; F139-N143 PolarHBondContact O-N 3.04Å; F139-N143 VanDerWaalsContact O-N 3.1Å; F139-N143 PolarHBondContact O-ND2 3.15Å; E141-N143 VanDerWaalsContact C-N 3.32Å; E141-N143 PolarHBondContact O-N 3.5Å; N143-V145 VanDerWaalsContact C-N 3.27Å; N143-V145 HydrophobicContact CB-CG1 4.27Å; N143-V145 HydrophobicContact CB-CG2 3.98Å; N143-V145 PolarHBondContact O-N 3.22Å; N143-T183 HydrophobicContact CB-CG2 4.24Å; N143-T183 WeakPolarHBondContact OD1-CG2 3.17Å; N143-T183 PolarHBondContact OD1-OG1 2.98Å
144	K	91.5	Very high	94.2	Very high	194 Å²	194	60.1 Å²	60.1	84%	0.843	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	42.4	-177.6	-54.6	178.3	-178.4	-179.4	0	112.2	L140 E141	L140-K144 WeakPolarHBondContact O-CA 3.39Å; L140-K144 PolarHBondContact O-N 3.14Å; E141-K144 PolarHBondContact O-N 2.97Å
145	V	90.9	Very high	94.1	Very high	51 Å²	51	56.9 Å²	56.9	31%	0.309	28%	0.282	S	S	.	.			trans	-114.2	160.2	179.5	-64.5	0	0	0	0	110.5	F139 L140 N143	F139-V145 HydrophobicContact CE1-CG2 4.03Å; L140-V145 HydrophobicContact CD2-CG2 3.82Å; L140-V145 PolarHBondContact O-N 3.41Å; L140-V145 VanDerWaalsContact O-N 3.11Å; N143-V145 VanDerWaalsContact C-N 3.27Å; N143-V145 HydrophobicContact CB-CG1 4.27Å; N143-V145 HydrophobicContact CB-CG2 3.98Å; N143-V145 PolarHBondContact O-N 3.22Å
146	T	92.9	Very high	94.1	Very high	53 Å²	53	56.2 Å²	56.2	33%	0.325	28%	0.279	S	S	.	.			trans	-128.4	143.8	176.4	171.4	0	0	0	0	109.5	D148 S149	T146-D148 HydrophobicContact CG2-CB 4.44Å; T146-D148 PolarHBondContact O-N 3.28Å; T146-D148 VanDerWaalsContact O-N 3.13Å; T146-D148 PolarHBondContact OG1-N 2.89Å; T146-S149 VanDerWaalsContact O-CB 3.31Å; T146-S149 WeakPolarHBondContact O-CB 3.4Å; T146-S149 PolarHBondContact O-N 3.41Å; T146-S149 PolarHBondContact O-OG 3.04Å
147	P	91.7	Very high	94	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.039	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-53.5	-31.1	173	-21.7	30.3	0	0	0	112.7	I114 L119 L140 S149 R150	I114-P147 HydrophobicContact CG2-CB 4.45Å; L119-P147 HydrophobicContact CD1-CG 3.81Å; L140-P147 HydrophobicContact CD1-CG 4.06Å; L140-P147 HydrophobicContact CD2-CG 4.42Å; P147-S149 PolarHBondContact O-N 2.95Å; P147-R150 WeakPolarHBondContact O-CG 3.48Å; P147-R150 PolarHBondContact O-N 2.87Å
148	D	92.1	Very high	93.9	Very high	84 Å²	84	61.3 Å²	61.3	45%	0.449	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-72.7	-7	-178.7	-63.6	-10.4	0	0	0	113.5	R115 L116 T146 R150	R115-D148 WeakPolarHBondContact CA-OD1 3.47Å; R115-D148 WeakPolarHBondContact CB-OD1 3.36Å; L116-D148 VanDerWaalsContact CB-OD2 3.25Å; L116-D148 WeakPolarHBondContact CB-OD2 3.46Å; L116-D148 PolarHBondContact N-OD1 3.39Å; T146-D148 HydrophobicContact CG2-CB 4.44Å; T146-D148 PolarHBondContact O-N 3.28Å; T146-D148 VanDerWaalsContact O-N 3.13Å; T146-D148 PolarHBondContact OG1-N 2.89Å; D148-R150 PolarHBondContact O-N 3.21Å
149	S	87.9	Confident	93.9	Very high	73 Å²	73	60.5 Å²	60.5	51%	0.51	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-72.7	-11.1	175.8	65.7	0	0	0	0	113.1	T146 P147 A151	T146-S149 VanDerWaalsContact O-CB 3.31Å; T146-S149 WeakPolarHBondContact O-CB 3.4Å; T146-S149 PolarHBondContact O-N 3.41Å; T146-S149 PolarHBondContact O-OG 3.04Å; P147-S149 PolarHBondContact O-N 2.95Å; S149-A151 PolarHBondContact O-N 3.05Å
150	R	91.4	Very high	94	Very high	53 Å²	53	61.8 Å²	61.8	20%	0.2	31%	0.313	C	S	.	.	S	Bend	trans	-74.6	122.5	-178.8	-60.9	-64.6	166.6	-173.5	-18.2	110.6	P147 D148 R169 H172 D173	P147-R150 WeakPolarHBondContact O-CG 3.48Å; P147-R150 PolarHBondContact O-N 2.87Å; D148-R150 PolarHBondContact O-N 3.21Å; R150-R169 HydrophobicContact CB-CB 4.28Å; R150-R169 VanDerWaalsContact CD-O 3.23Å; R150-R169 WeakPolarHBondContact CD-O 3.12Å; R150-R169 PolarHBondContact NE-O 3.16Å; R150-H172 VanDerWaalsContact CZ-CD2 3.49Å; R150-H172 PolarHBondContact NH1-CD2 3.49Å; R150-H172 VanDerWaalsContact NH1-CD2 3.31Å; R150-H172 PolarHBondContact NH2-CD2 2.83Å; R150-D173 IonicContact CZ-OD1 3.82Å; R150-D173 IonicContact CZ-OD2 2.68Å; R150-D173 VanDerWaalsContact CZ-OD2 3.28Å; R150-D173 IonicContact NE-OD2 3.78Å; R150-D173 PolarHBondContact NE-OD2 3.33Å; R150-D173 IonicContact NH2-OD1 3.98Å; R150-D173 PolarHBondContact NH2-OD1 2.91Å; R150-D173 IonicContact NH2-OD2 3Å; R150-D173 PolarHBondContact NH2-OD2 3.23Å
151	A	91.4	Very high	94.2	Very high	43 Å²	43	61.3 Å²	61.3	36%	0.355	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-63.6	137.1	-179.9	0	0	0	0	0	111.6	A80 S149 R169	A80-A151 HydrophobicContact CB-CB 4.36Å; S149-A151 PolarHBondContact O-N 3.05Å; A151-R169 VanDerWaalsContact O-CD 3.3Å; A151-R169 WeakPolarHBondContact O-CD 3.44Å; A151-R169 PolarHBondContact O-NH1 3.46Å
152	E	95	Very high	94.4	Very high	80 Å²	80	55.5 Å²	55.5	37%	0.374	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62.1	151.8	167.9	-66	-63.9	151	0	0	110.9	R113 R115 R169	R113-E152 IonicContact CZ-OE1 2.77Å; R113-E152 IonicContact NH1-OE2 3.38Å; R113-E152 IonicContact NH2-OE1 2.86Å; R113-E152 PolarHBondContact NH2-OE1 3.11Å; R113-E152 IonicContact NH2-OE2 3.08Å; R115-E152 IonicContact CZ-OE1 2.63Å; R115-E152 IonicContact NH2-OE1 3.93Å; R115-E152 PolarHBondContact NH2-OE1 2.79Å; E152-R169 PolarHBondContact O-NH1 3.28Å
153	V	97.4	Very high	94.6	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.036	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-80	144.4	179.2	177.9	0	0	0	0	109.7	Y47 E84 V156 A162 M165 L166	Y47-V153 WeakPolarHBondContact CE2-O 3.48Å; E84-V153 HydrophobicContact CG-CG1 4.09Å; V153-V156 HydrophobicContact CG1-CB 3.9Å; V153-V156 HydrophobicContact CG1-CG2 3.62Å; V153-A162 HydrophobicContact CB-CB 4.4Å; V153-A162 HydrophobicContact CG1-CB 3.84Å; V153-M165 HydrophobicContact CG2-CB 4.08Å; V153-M165 HydrophobicContact CG2-CG 3.93Å; V153-L166 HydrophobicContact CG2-CB 3.85Å; V153-L166 HydrophobicContact CG2-CD1 4.38Å
154	K	96.9	Very high	95	Very high	97 Å²	97	48.9 Å²	48.9	42%	0.422	25%	0.252	S	S	.	.			trans	-134.9	-35.2	-174.4	-60.8	-177.2	-177.4	-179.3	0	114.5	H50 I51 E84	H50-K154 CarbonylContact C-O 3.6Å; H50-K154 PolarHBondContact CD2-O 2.9Å; I51-K154 HydrophobicContact CD1-CB 4.25Å; I51-K154 HydrophobicContact CD1-CD 4.1Å; I51-K154 HydrophobicContact CG1-CB 4.33Å; I51-K154 PolarHBondContact N-O 3.45Å; E84-K154 PolarHBondContact OE2-N 3.45Å
155	F	97.1	Very high	95.4	Very high	23 Å²	23	39.7 Å²	39.7	10%	0.101	21%	0.212	C	C	.	.	S	Bend	trans	-113.7	11.6	-164.4	-53.7	-70	0	0	0	113.6	I51 T53 K58 L61 V81 E84 T85	I51-F155 HydrophobicContact CB-CD1 4.04Å; I51-F155 HydrophobicContact CB-CE1 3.83Å; I51-F155 HydrophobicContact CD1-CE1 3.88Å; I51-F155 HydrophobicContact CD1-CZ 4.04Å; I51-F155 HydrophobicContact CG1-CE1 4.4Å; I51-F155 HydrophobicContact CG2-CD1 4.33Å; I51-F155 HydrophobicContact CG2-CE1 3.92Å; T53-F155 HydrophobicContact CG2-CD1 3.8Å; T53-F155 HydrophobicContact CG2-CE1 4.32Å; K58-F155 PolarHBondContact NZ-O 3.46Å; L61-F155 HydrophobicContact CD1-CD1 3.87Å; L61-F155 HydrophobicContact CD1-CE1 3.84Å; L61-F155 HydrophobicContact CD1-CG 4.34Å; L61-F155 HydrophobicContact CD1-CZ 4.31Å; V81-F155 HydrophobicContact CG1-CD2 4.47Å; V81-F155 HydrophobicContact CG1-CE2 4.42Å; V81-F155 HydrophobicContact CG2-CD2 4.43Å; V81-F155 HydrophobicContact CG2-CE2 3.94Å; E84-F155 HydrophobicContact CB-CB 4.12Å; E84-F155 WeakPolarHBondContact OE2-CB 3.44Å; E84-F155 VanDerWaalsContact OE2-CD2 3.3Å; E84-F155 WeakPolarHBondContact OE2-CD2 3.43Å; E84-F155 PolarHBondContact OE2-N 3.14Å; T85-F155 HydrophobicContact CG2-CB 4.33Å
156	V	97.4	Very high	95.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	20%	0.201	C	C	.	.			trans	-92.9	117.1	173.3	-179.5	0	0	0	0	108.8	Y47 H50 E84 L91 V153 N158 L161 A162 M165	Y47-V156 WeakPolarHBondContact CE1-O 3.32Å; Y47-V156 PolarHBondContact OH-N 2.63Å; Y47-V156 PolarHBondContact OH-O 3.33Å; H50-V156 PolarHBondContact CD2-O 3.25Å; E84-V156 HydrophobicContact CB-CG2 3.88Å; E84-V156 HydrophobicContact CG-CG2 3.99Å; L91-V156 HydrophobicContact CD1-CG1 4.22Å; L91-V156 HydrophobicContact CD1-CG2 4.2Å; V153-V156 HydrophobicContact CG1-CB 3.9Å; V153-V156 HydrophobicContact CG1-CG2 3.62Å; V156-N158 PolarHBondContact O-N 3.06Å; V156-N158 VanDerWaalsContact O-N 3.08Å; V156-L161 HydrophobicContact CG1-CB 3.73Å; V156-A162 HydrophobicContact CB-CB 4.05Å; V156-A162 HydrophobicContact CG1-CB 4.19Å; V156-M165 HydrophobicContact CG2-CB 4.48Å; V156-M165 HydrophobicContact CG2-CG 4.47Å
157	D	95.5	Very high	96	Very high	64 Å²	64	35.4 Å²	35.4	34%	0.342	19%	0.185	S	C	.	.	S	Bend	trans	-87.4	41.9	-174.5	-55	-50.4	0	0	0	113	L46 H50 K58	L46-D157 HydrophobicContact CD1-CB 4.22Å; L46-D157 WeakPolarHBondContact CD1-O 3.36Å; H50-D157 IonicContact CE1-OD1 3.43Å; H50-D157 PolarHBondContact CE1-OD1 2.94Å; H50-D157 IonicContact NE2-OD1 2.8Å; H50-D157 PolarHBondContact NE2-OD1 3.26Å; K58-D157 IonicContact NZ-OD2 2.65Å; K58-D157 PolarHBondContact NZ-OD2 2.93Å
158	N	96.8	Very high	96.3	Very high	57 Å²	57	35.8 Å²	35.8	31%	0.305	19%	0.186	S	C	.	.	S	Bend	trans	-159.4	128.7	171.5	179.5	-78.5	0	0	0	108.4	V156 E160 L161 A162	V156-N158 PolarHBondContact O-N 3.06Å; V156-N158 VanDerWaalsContact O-N 3.08Å; N158-E160 PolarHBondContact OD1-N 3Å; N158-E160 VanDerWaalsContact OD1-N 3.07Å; N158-L161 HydrophobicContact CB-CB 4.01Å; N158-L161 HydrophobicContact CB-CD1 3.99Å; N158-L161 HydrophobicContact CB-CG 3.87Å; N158-L161 PolarHBondContact O-N 2.89Å; N158-L161 WeakPolarHBondContact OD1-CG 3.45Å; N158-L161 PolarHBondContact OD1-N 2.89Å; N158-A162 VanDerWaalsContact O-CB 3.29Å; N158-A162 WeakPolarHBondContact O-CB 3.33Å; N158-A162 PolarHBondContact O-N 2.65Å
159	E	97.1	Very high	96.6	Very high	77 Å²	77	32.4 Å²	32.4	36%	0.36	17%	0.167	S	C	.	.	H	α-helix	trans	-65.7	-42.2	-172.9	-171.3	-78.3	155.8	0	0	113	Y47 R111 A162 Y163	Y47-E159 HydrophobicContact CD1-CB 4.1Å; Y47-E159 HydrophobicContact CD1-CG 4.16Å; Y47-E159 HydrophobicContact CG-CG 4.44Å; R111-E159 IonicContact CZ-OE1 3.34Å; R111-E159 IonicContact CZ-OE2 3.77Å; R111-E159 IonicContact NH1-OE1 3.07Å; R111-E159 PolarHBondContact NH1-OE1 3.29Å; R111-E159 IonicContact NH1-OE2 3.23Å; R111-E159 PolarHBondContact NH1-OE2 2.64Å; R111-E159 IonicContact NH2-OE1 2.78Å; R111-E159 IonicContact NH2-OE2 2.68Å; R111-E159 PolarHBondContact NH2-OE2 3.27Å; E159-A162 WeakPolarHBondContact O-CB 3.25Å; E159-A162 PolarHBondContact O-N 2.86Å; E159-Y163 PolarHBondContact O-N 2.75Å
160	E	98.2	Very high	97	Very high	42 Å²	42	29.2 Å²	29.2	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-41.2	177.9	-174	173.3	68.4	0	0	111	R95 K99 L108 N158 A162 Y163 I164	R95-E160 WeakPolarHBondContact CD-OE1 3.46Å; K99-E160 WeakPolarHBondContact CE-OE1 3.44Å; K99-E160 IonicContact NZ-OE1 2.87Å; K99-E160 PolarHBondContact NZ-OE1 2.92Å; K99-E160 IonicContact NZ-OE2 3.74Å; L108-E160 HydrophobicContact CD2-CG 4.42Å; N158-E160 PolarHBondContact OD1-N 3Å; N158-E160 VanDerWaalsContact OD1-N 3.07Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 3.24Å; E160-Y163 PolarHBondContact O-N 3.07Å; E160-I164 WeakPolarHBondContact O-CG1 3.35Å; E160-I164 PolarHBondContact O-N 3.28Å
161	L	98.6	Very high	97.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-34	174.4	-58.6	-172.3	0	0	0	112.1	L91 I92 R95 V156 N158 Y163 I164 M165	L91-L161 HydrophobicContact CB-CB 4.23Å; L91-L161 HydrophobicContact CB-CD1 4.34Å; L91-L161 HydrophobicContact CB-CD2 4.15Å; L91-L161 HydrophobicContact CB-CG 4.47Å; L91-L161 HydrophobicContact CD1-CB 4.39Å; I92-L161 HydrophobicContact CG1-CD1 3.99Å; R95-L161 HydrophobicContact CB-CD2 3.99Å; R95-L161 HydrophobicContact CG-CD2 4.46Å; V156-L161 HydrophobicContact CG1-CB 3.73Å; N158-L161 HydrophobicContact CB-CB 4.01Å; N158-L161 HydrophobicContact CB-CD1 3.99Å; N158-L161 HydrophobicContact CB-CG 3.87Å; N158-L161 PolarHBondContact O-N 2.89Å; N158-L161 WeakPolarHBondContact OD1-CG 3.45Å; N158-L161 PolarHBondContact OD1-N 2.89Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; L161-I164 HydrophobicContact CD2-CD1 4.23Å; L161-I164 PolarHBondContact O-N 3.41Å; L161-M165 WeakPolarHBondContact O-CB 3.36Å; L161-M165 PolarHBondContact O-N 3.17Å
162	A	98.5	Very high	97.6	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-41	174.4	0	0	0	0	0	110.7	Y47 V153 V156 N158 E159 E160 M165 L166	Y47-A162 HydrophobicContact CD1-CB 4Å; Y47-A162 HydrophobicContact CE1-CB 3.4Å; Y47-A162 VanDerWaalsContact CE1-CB 3.4Å; Y47-A162 HydrophobicContact CE2-CB 4.17Å; V153-A162 HydrophobicContact CB-CB 4.4Å; V153-A162 HydrophobicContact CG1-CB 3.84Å; V156-A162 HydrophobicContact CB-CB 4.05Å; V156-A162 HydrophobicContact CG1-CB 4.19Å; N158-A162 VanDerWaalsContact O-CB 3.29Å; N158-A162 WeakPolarHBondContact O-CB 3.33Å; N158-A162 PolarHBondContact O-N 2.65Å; E159-A162 WeakPolarHBondContact O-CB 3.25Å; E159-A162 PolarHBondContact O-N 2.86Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 3.24Å; A162-M165 PolarHBondContact O-N 3.17Å; A162-L166 WeakPolarHBondContact O-CB 3.39Å; A162-L166 PolarHBondContact O-N 3.42Å
163	Y	98.6	Very high	97.7	Very high	12 Å²	12	21.4 Å²	21.4	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-43.3	172.3	174.6	-101.3	0	0	0	112.5	I107 L108 R111 P112 E159 E160 L161 M165 L166 R167	I107-Y163 HydrophobicContact CG2-CE1 4.08Å; L108-Y163 HydrophobicContact CD2-CD1 4.41Å; R111-Y163 WeakPolarHBondContact CA-OH 3.39Å; R111-Y163 HydrophobicContact CB-CD2 3.93Å; R111-Y163 HydrophobicContact CB-CE1 4.34Å; R111-Y163 HydrophobicContact CB-CE2 3.58Å; R111-Y163 HydrophobicContact CB-CG 4.47Å; R111-Y163 HydrophobicContact CG-CD1 4.12Å; R111-Y163 HydrophobicContact CG-CD2 4.07Å; R111-Y163 HydrophobicContact CG-CE1 4.11Å; R111-Y163 HydrophobicContact CG-CE2 4.08Å; R111-Y163 HydrophobicContact CG-CG 4.12Å; P112-Y163 VanDerWaalsContact CD-OH 3.28Å; P112-Y163 WeakPolarHBondContact CD-OH 3.4Å; P112-Y163 PolarHBondContact O-OH 3.16Å; E159-Y163 PolarHBondContact O-N 2.75Å; E160-Y163 PolarHBondContact O-N 3.07Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; Y163-M165 VanDerWaalsContact C-N 3.32Å; Y163-M165 PolarHBondContact O-N 2.78Å; Y163-L166 WeakPolarHBondContact O-CB 3.32Å; Y163-L166 PolarHBondContact O-N 3.15Å; Y163-L166 VanDerWaalsContact O-N 3.17Å; Y163-R167 HydrophobicContact CE1-CB 4.5Å; Y163-R167 WeakPolarHBondContact O-CB 3.44Å; Y163-R167 PolarHBondContact O-N 3.04Å; Y163-R167 PolarHBondContact OH-NH1 2.97Å
164	I	98.8	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-43.1	176.7	-66.7	167.8	0	0	0	111	L91 L94 R95 M98 L108 E160 L161 L166 R167 Y168 L242	L91-I164 HydrophobicContact CD2-CB 4.3Å; L91-I164 HydrophobicContact CD2-CG2 3.85Å; L94-I164 HydrophobicContact CB-CG2 3.97Å; L94-I164 HydrophobicContact CD1-CG2 4.21Å; R95-I164 HydrophobicContact CB-CD1 3.44Å; R95-I164 VanDerWaalsContact CB-CD1 3.44Å; R95-I164 HydrophobicContact CG-CD1 3.88Å; M98-I164 HydrophobicContact SD-CD1 4.42Å; M98-I164 HydrophobicContact SD-CG1 4.04Å; M98-I164 HydrophobicContact SD-CG2 4.27Å; L108-I164 HydrophobicContact CD2-CD1 3.85Å; L108-I164 HydrophobicContact CD2-CG1 3.66Å; E160-I164 WeakPolarHBondContact O-CG1 3.35Å; E160-I164 PolarHBondContact O-N 3.28Å; L161-I164 HydrophobicContact CD2-CD1 4.23Å; L161-I164 PolarHBondContact O-N 3.41Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.07Å; I164-R167 PolarHBondContact O-N 2.89Å; I164-Y168 PolarHBondContact O-N 2.78Å; I164-L242 HydrophobicContact CG2-CD1 3.97Å
165	M	98.7	Very high	97.8	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-38.3	176.1	-176.3	59.1	-170.9	0	0	112	E84 L91 V153 V156 L161 A162 Y163 Y168 R169 M203	E84-M165 HydrophobicContact CG-CE 4.16Å; E84-M165 HydrophobicContact CG-CG 4.16Å; L91-M165 HydrophobicContact CD1-CB 4.12Å; L91-M165 HydrophobicContact CD2-CB 3.87Å; L91-M165 HydrophobicContact CD2-SD 4.33Å; V153-M165 HydrophobicContact CG2-CB 4.08Å; V153-M165 HydrophobicContact CG2-CG 3.93Å; V156-M165 HydrophobicContact CG2-CB 4.48Å; V156-M165 HydrophobicContact CG2-CG 4.47Å; L161-M165 WeakPolarHBondContact O-CB 3.36Å; L161-M165 PolarHBondContact O-N 3.17Å; A162-M165 PolarHBondContact O-N 3.17Å; Y163-M165 VanDerWaalsContact C-N 3.32Å; Y163-M165 PolarHBondContact O-N 2.78Å; M165-Y168 HydrophobicContact CE-CD1 4.3Å; M165-Y168 WeakPolarHBondContact O-CB 3.36Å; M165-Y168 HydrophobicContact SD-CD1 4.12Å; M165-R169 WeakPolarHBondContact O-CG 3.49Å; M165-R169 PolarHBondContact O-N 2.85Å; M165-M203 HydrophobicContact CE-CE 3.59Å; M165-M203 HydrophobicContact SD-CE 4.05Å
166	L	98.4	Very high	97.8	Very high	13 Å²	13	15.6 Å²	15.6	7%	0.068	8%	0.077	C	C	.	.	H	α-helix	trans	-68.1	-45.7	176.1	-175.7	57.1	0	0	0	111.6	R113 V153 A162 Y163 I164 Y168 R169 E170	R113-L166 VanDerWaalsContact NH1-CD2 3.34Å; V153-L166 HydrophobicContact CG2-CB 3.85Å; V153-L166 HydrophobicContact CG2-CD1 4.38Å; A162-L166 WeakPolarHBondContact O-CB 3.39Å; A162-L166 PolarHBondContact O-N 3.42Å; Y163-L166 WeakPolarHBondContact O-CB 3.32Å; Y163-L166 PolarHBondContact O-N 3.15Å; Y163-L166 VanDerWaalsContact O-N 3.17Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.07Å; L166-Y168 VanDerWaalsContact C-N 3.29Å; L166-Y168 PolarHBondContact O-N 3.5Å; L166-R169 WeakPolarHBondContact O-CA 3.48Å; L166-R169 WeakPolarHBondContact O-CB 3.25Å; L166-R169 PolarHBondContact O-N 3.34Å; L166-E170 PolarHBondContact O-N 2.83Å
167	R	98.3	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-44.1	174.7	-175.8	169.2	-169.9	72.8	-0.3	111	Y163 I164 R169 E170 V171 L242 I244 E247	Y163-R167 HydrophobicContact CE1-CB 4.5Å; Y163-R167 WeakPolarHBondContact O-CB 3.44Å; Y163-R167 PolarHBondContact O-N 3.04Å; Y163-R167 PolarHBondContact OH-NH1 2.97Å; I164-R167 PolarHBondContact O-N 2.89Å; R167-R169 VanDerWaalsContact C-N 3.27Å; R167-R169 PolarHBondContact O-N 3.41Å; R167-E170 PolarHBondContact O-N 2.61Å; R167-E170 VanDerWaalsContact O-N 3.17Å; R167-V171 HydrophobicContact CG-CG1 4.13Å; R167-V171 WeakPolarHBondContact O-CG1 3.33Å; R167-V171 WeakPolarHBondContact O-CG2 3.42Å; R167-V171 PolarHBondContact O-N 2.97Å; R167-L242 WeakPolarHBondContact CD-O 3.4Å; R167-L242 PolarHBondContact NE-O 3.48Å; R167-I244 PolarHBondContact NH2-O 3.26Å; R167-E247 IonicContact CZ-OE1 3.34Å; R167-E247 IonicContact NH1-OE1 3.76Å; R167-E247 PolarHBondContact NH1-OE1 2.98Å; R167-E247 IonicContact NH2-OE1 2.65Å; R167-E247 PolarHBondContact NH2-OE1 3.47Å; R167-E247 IonicContact NH2-OE2 3.67Å; R167-E247 PolarHBondContact NH2-OE2 2.95Å
168	Y	98.4	Very high	97.9	Very high	14 Å²	14	12.8 Å²	12.8	6%	0.055	6%	0.062	C	C	.	.	H	α-helix	trans	-52.9	-44	172.9	161.7	-103.8	0	0	0	112.3	I164 M165 L166 H172 K192 E195 T199 L201 M203 C204	I164-Y168 PolarHBondContact O-N 2.78Å; M165-Y168 HydrophobicContact CE-CD1 4.3Å; M165-Y168 WeakPolarHBondContact O-CB 3.36Å; M165-Y168 HydrophobicContact SD-CD1 4.12Å; L166-Y168 VanDerWaalsContact C-N 3.29Å; L166-Y168 PolarHBondContact O-N 3.5Å; Y168-H172 PolarHBondContact O-N 3.04Å; Y168-K192 PolarHBondContact OH-NZ 3.48Å; Y168-E195 HydrophobicContact CE2-CB 4.42Å; Y168-E195 HydrophobicContact CE2-CG 4.16Å; Y168-E195 WeakPolarHBondContact CE2-OE1 3.1Å; Y168-E195 PolarHBondContact OH-OE1 3.31Å; Y168-E195 PolarHBondContact OH-OE2 2.9Å; Y168-T199 HydrophobicContact CD2-CG2 4.02Å; Y168-T199 HydrophobicContact CE2-CG2 4.25Å; Y168-L201 HydrophobicContact CD1-CD1 3.94Å; Y168-L201 HydrophobicContact CD2-CD1 3.98Å; Y168-L201 HydrophobicContact CE1-CD1 4.15Å; Y168-L201 HydrophobicContact CE2-CD1 4.19Å; Y168-L201 HydrophobicContact CG-CD1 3.87Å; Y168-M203 HydrophobicContact CE1-CE 4.29Å; Y168-M203 HydrophobicContact CE1-SD 4.38Å; Y168-C204 PolarHBondContact OH-SG 2.95Å
169	R	97.6	Very high	97.9	Very high	13 Å²	13	10.1 Å²	10.1	5%	0.049	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-44.7	177.1	-66.9	173.9	177.2	173.7	4.5	112.3	A80 E84 R150 A151 E152 M165 L166 R167 H172	A80-R169 VanDerWaalsContact C-NH2 3.32Å; A80-R169 VanDerWaalsContact CA-NH2 3.31Å; A80-R169 PolarHBondContact O-NH2 2.85Å; E84-R169 VanDerWaalsContact CD-NH2 3.31Å; E84-R169 IonicContact OE1-CZ 3.15Å; E84-R169 VanDerWaalsContact OE1-CZ 3.23Å; E84-R169 IonicContact OE1-NH1 2.82Å; E84-R169 PolarHBondContact OE1-NH1 3.38Å; E84-R169 IonicContact OE1-NH2 3.23Å; E84-R169 PolarHBondContact OE1-NH2 3.24Å; R150-R169 HydrophobicContact CB-CB 4.28Å; R150-R169 VanDerWaalsContact CD-O 3.23Å; R150-R169 WeakPolarHBondContact CD-O 3.12Å; R150-R169 PolarHBondContact NE-O 3.16Å; A151-R169 VanDerWaalsContact O-CD 3.3Å; A151-R169 WeakPolarHBondContact O-CD 3.44Å; A151-R169 PolarHBondContact O-NH1 3.46Å; E152-R169 PolarHBondContact O-NH1 3.28Å; M165-R169 WeakPolarHBondContact O-CG 3.49Å; M165-R169 PolarHBondContact O-N 2.85Å; L166-R169 WeakPolarHBondContact O-CA 3.48Å; L166-R169 WeakPolarHBondContact O-CB 3.25Å; L166-R169 PolarHBondContact O-N 3.34Å; R167-R169 VanDerWaalsContact C-N 3.27Å; R167-R169 PolarHBondContact O-N 3.41Å; R169-H172 WeakPolarHBondContact O-CB 3.44Å; R169-H172 PolarHBondContact O-N 2.94Å
170	E	97.6	Very high	97.8	Very high	7 Å²	7	8.1 Å²	8.1	3%	0.033	5%	0.048	C	C	.	.	H	α-helix	trans	-68.8	-33.9	-176	-72.9	-172.2	167.6	0	0	112.4	R113 I114 L166 R167	R113-E170 WeakPolarHBondContact CA-OE2 3.29Å; R113-E170 IonicContact CZ-OE1 3.51Å; R113-E170 IonicContact NE-OE1 2.69Å; R113-E170 PolarHBondContact NE-OE1 2.78Å; R113-E170 IonicContact NE-OE2 3.75Å; R113-E170 PolarHBondContact NE-OE2 3.04Å; R113-E170 IonicContact NH2-OE1 2.99Å; R113-E170 PolarHBondContact NH2-OE1 2.78Å; I114-E170 HydrophobicContact CB-CB 4.23Å; I114-E170 HydrophobicContact CD1-CB 4.34Å; I114-E170 PolarHBondContact N-OE2 2.88Å; L166-E170 PolarHBondContact O-N 2.83Å; R167-E170 PolarHBondContact O-N 2.61Å; R167-E170 VanDerWaalsContact O-N 3.17Å
171	V	97.8	Very high	97.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-82.1	-11.9	177.1	-54.9	0	0	0	0	113.6	I114 R167 D173 L174 L175 L242 Y246	I114-V171 HydrophobicContact CD1-CG1 3.94Å; R167-V171 HydrophobicContact CG-CG1 4.13Å; R167-V171 WeakPolarHBondContact O-CG1 3.33Å; R167-V171 WeakPolarHBondContact O-CG2 3.42Å; R167-V171 PolarHBondContact O-N 2.97Å; V171-D173 VanDerWaalsContact C-N 3.34Å; V171-D173 PolarHBondContact O-N 2.74Å; V171-L174 HydrophobicContact CB-CD1 4.45Å; V171-L174 HydrophobicContact CG1-CD1 4.43Å; V171-L174 CarbonylContact O-C 3.55Å; V171-L174 WeakPolarHBondContact O-CA 3.37Å; V171-L174 VanDerWaalsContact O-CB 3.23Å; V171-L174 WeakPolarHBondContact O-CB 3.22Å; V171-L174 PolarHBondContact O-N 3.43Å; V171-L175 WeakPolarHBondContact O-CG 3.43Å; V171-L175 PolarHBondContact O-N 2.84Å; V171-L242 HydrophobicContact CG2-CD2 3.6Å; V171-Y246 HydrophobicContact CB-CE2 4.15Å; V171-Y246 HydrophobicContact CG1-CD2 3.85Å; V171-Y246 HydrophobicContact CG1-CE2 3.73Å
172	H	97.6	Very high	97.4	Very high	9 Å²	9	6.7 Å²	6.7	4%	0.042	4%	0.042	C	C	.	.	H	α-helix	trans	-55.9	-45.5	-175.4	171.8	83.3	0	0	0	113	R150 Y168 R169 L174 L175 H176 E188 E195	R150-H172 VanDerWaalsContact CZ-CD2 3.49Å; R150-H172 PolarHBondContact NH1-CD2 3.49Å; R150-H172 VanDerWaalsContact NH1-CD2 3.31Å; R150-H172 PolarHBondContact NH2-CD2 2.83Å; Y168-H172 PolarHBondContact O-N 3.04Å; R169-H172 WeakPolarHBondContact O-CB 3.44Å; R169-H172 PolarHBondContact O-N 2.94Å; H172-L174 VanDerWaalsContact C-N 3.27Å; H172-L174 PolarHBondContact O-N 3.49Å; H172-L175 WeakPolarHBondContact O-CB 3.49Å; H172-L175 PolarHBondContact O-N 3.03Å; H172-L175 VanDerWaalsContact O-N 3.07Å; H172-H176 AromaticContact CD2-CD2 3.97Å; H172-H176 AromaticContact CE1-CD2 3.99Å; H172-H176 AromaticContact CE1-NE2 3.53Å; H172-H176 AromaticContact NE2-CD2 3.65Å; H172-H176 AromaticContact NE2-NE2 3.3Å; H172-H176 PolarHBondContact NE2-NE2 3.48Å; H172-H176 PolarHBondContact O-CD2 3.01Å; H172-H176 PolarHBondContact O-N 3.24Å; H172-E188 IonicContact NE2-OE2 2.8Å; H172-E195 IonicContact CE1-OE1 3.72Å; H172-E195 IonicContact CG-OE1 3.68Å; H172-E195 IonicContact ND1-OE1 2.74Å; H172-E195 PolarHBondContact ND1-OE1 3.24Å; H172-E195 IonicContact ND1-OE2 3.28Å
173	D	96.6	Very high	97.1	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-66.8	-31.2	176.8	-69.9	-44.5	0	0	0	112.4	Y136 F139 R150 V171 L175 H176 T177	Y136-D173 HydrophobicContact CE2-CB 3.83Å; F139-D173 HydrophobicContact CD1-CB 4.38Å; F139-D173 HydrophobicContact CE1-CB 3.69Å; F139-D173 HydrophobicContact CZ-CB 4.45Å; R150-D173 IonicContact CZ-OD1 3.82Å; R150-D173 IonicContact CZ-OD2 2.68Å; R150-D173 VanDerWaalsContact CZ-OD2 3.28Å; R150-D173 IonicContact NE-OD2 3.78Å; R150-D173 PolarHBondContact NE-OD2 3.33Å; R150-D173 IonicContact NH2-OD1 3.98Å; R150-D173 PolarHBondContact NH2-OD1 2.91Å; R150-D173 IonicContact NH2-OD2 3Å; R150-D173 PolarHBondContact NH2-OD2 3.23Å; V171-D173 VanDerWaalsContact C-N 3.34Å; V171-D173 PolarHBondContact O-N 2.74Å; D173-L175 VanDerWaalsContact C-N 3.31Å; D173-H176 WeakPolarHBondContact O-CB 3.38Å; D173-H176 PolarHBondContact O-N 2.9Å; D173-T177 PolarHBondContact O-N 3.4Å; D173-T177 PolarHBondContact O-OG1 2.71Å
174	L	97.8	Very high	96.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.2	-36.1	171.8	-62.6	176	0	0	0	111.2	I114 F132 Y136 V171 H172 H176 T177 L178 Y246 W250	I114-L174 HydrophobicContact CD1-CD1 3.54Å; F132-L174 HydrophobicContact CE1-CD2 3.99Å; F132-L174 HydrophobicContact CZ-CB 4.04Å; F132-L174 HydrophobicContact CZ-CD1 4.47Å; F132-L174 HydrophobicContact CZ-CD2 3.67Å; F132-L174 HydrophobicContact CZ-CG 4.29Å; Y136-L174 HydrophobicContact CD1-CD2 3.44Å; Y136-L174 VanDerWaalsContact CD1-CD2 3.44Å; Y136-L174 HydrophobicContact CD2-CD2 3.5Å; Y136-L174 HydrophobicContact CD2-CG 4.47Å; Y136-L174 HydrophobicContact CE1-CD2 3.55Å; Y136-L174 HydrophobicContact CE2-CD2 3.57Å; Y136-L174 HydrophobicContact CE2-CG 4.19Å; Y136-L174 HydrophobicContact CG-CD2 3.42Å; Y136-L174 VanDerWaalsContact CG-CD2 3.42Å; V171-L174 HydrophobicContact CB-CD1 4.45Å; V171-L174 HydrophobicContact CG1-CD1 4.43Å; V171-L174 CarbonylContact O-C 3.55Å; V171-L174 WeakPolarHBondContact O-CA 3.37Å; V171-L174 VanDerWaalsContact O-CB 3.23Å; V171-L174 WeakPolarHBondContact O-CB 3.22Å; V171-L174 PolarHBondContact O-N 3.43Å; H172-L174 VanDerWaalsContact C-N 3.27Å; H172-L174 PolarHBondContact O-N 3.49Å; L174-H176 VanDerWaalsContact C-N 3.33Å; L174-H176 PolarHBondContact O-N 3.29Å; L174-T177 WeakPolarHBondContact O-CB 3.46Å; L174-T177 PolarHBondContact O-N 2.9Å; L174-T177 VanDerWaalsContact O-N 3.16Å; L174-L178 WeakPolarHBondContact O-CB 3.24Å; L174-L178 PolarHBondContact O-N 2.83Å; L174-Y246 HydrophobicContact CD1-CD1 4.19Å; L174-Y246 HydrophobicContact CD1-CD2 3.8Å; L174-Y246 HydrophobicContact CD1-CG 3.62Å; L174-W250 HydrophobicContact CD1-CH2 4.39Å; L174-W250 HydrophobicContact CD2-CH2 3.97Å; L174-W250 HydrophobicContact CD2-CZ3 3.81Å
175	L	98.1	Very high	96.6	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-65.2	-36.2	176.1	-62.6	-178	0	0	0	111.8	V171 H172 D173 T177 L178 L179 F194 E195 V241	V171-L175 WeakPolarHBondContact O-CG 3.43Å; V171-L175 PolarHBondContact O-N 2.84Å; H172-L175 WeakPolarHBondContact O-CB 3.49Å; H172-L175 PolarHBondContact O-N 3.03Å; H172-L175 VanDerWaalsContact O-N 3.07Å; D173-L175 VanDerWaalsContact C-N 3.31Å; L175-T177 VanDerWaalsContact C-N 3.3Å; L175-T177 PolarHBondContact O-N 3.41Å; L175-L178 HydrophobicContact CD2-CD2 4.33Å; L175-L178 PolarHBondContact O-N 2.79Å; L175-L179 HydrophobicContact CB-CD1 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.17Å; L175-L179 PolarHBondContact O-N 2.8Å; L175-F194 HydrophobicContact CD1-CE1 4.39Å; L175-F194 HydrophobicContact CD2-CE1 4.16Å; L175-E195 HydrophobicContact CD1-CG 3.87Å; L175-V241 HydrophobicContact CD1-CG2 4.32Å; L175-V241 HydrophobicContact CD2-CB 3.94Å; L175-V241 HydrophobicContact CD2-CG1 4.05Å; L175-V241 HydrophobicContact CD2-CG2 4.06Å
176	H	97.7	Very high	96.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-58.1	-45.1	171.1	-82.5	-86.2	0	0	0	111.9	F139 H172 D173 L174 G180 M181 E188	F139-H176 HydrophobicContact CD2-CB 3.98Å; F139-H176 HydrophobicContact CE1-CB 4.46Å; F139-H176 HydrophobicContact CE2-CB 3.28Å; F139-H176 AromaticContact CE2-CG 3.82Å; F139-H176 HydrophobicContact CZ-CB 3.57Å; F139-H176 AromaticContact CZ-CG 3.88Å; H172-H176 AromaticContact CD2-CD2 3.97Å; H172-H176 AromaticContact CE1-CD2 3.99Å; H172-H176 AromaticContact CE1-NE2 3.53Å; H172-H176 AromaticContact NE2-CD2 3.65Å; H172-H176 AromaticContact NE2-NE2 3.3Å; H172-H176 PolarHBondContact NE2-NE2 3.48Å; H172-H176 PolarHBondContact O-CD2 3.01Å; H172-H176 PolarHBondContact O-N 3.24Å; D173-H176 WeakPolarHBondContact O-CB 3.38Å; D173-H176 PolarHBondContact O-N 2.9Å; L174-H176 VanDerWaalsContact C-N 3.33Å; L174-H176 PolarHBondContact O-N 3.29Å; H176-G180 WeakPolarHBondContact O-CA 3.48Å; H176-G180 PolarHBondContact O-N 2.98Å; H176-M181 WeakPolarHBondContact CB-O 3.48Å; H176-M181 PolarHBondContact ND1-O 2.88Å; H176-M181 PolarHBondContact O-N 3.25Å; H176-E188 IonicContact CE1-OE1 2.78Å; H176-E188 PolarHBondContact CE1-OE1 2.99Å; H176-E188 IonicContact CE1-OE2 2.64Å; H176-E188 IonicContact NE2-OE1 3.74Å; H176-E188 PolarHBondContact NE2-OE1 3.33Å; H176-E188 IonicContact NE2-OE2 2.67Å
177	T	97.1	Very high	96.2	Very high	10 Å²	10	10.6 Å²	10.6	6%	0.061	6%	0.064	C	C	.	.	H	α-helix	trans	-63.7	-48.9	176.8	-55.7	0	0	0	0	111	F132 E135 F139 D173 L174 L175 L179 G180 R258	F132-T177 HydrophobicContact CD2-CG2 4.37Å; F132-T177 HydrophobicContact CE2-CG2 4.24Å; E135-T177 HydrophobicContact CB-CG2 3.79Å; F139-T177 WeakPolarHBondContact CB-OG1 3.45Å; D173-T177 PolarHBondContact O-N 3.4Å; D173-T177 PolarHBondContact O-OG1 2.71Å; L174-T177 WeakPolarHBondContact O-CB 3.46Å; L174-T177 PolarHBondContact O-N 2.9Å; L174-T177 VanDerWaalsContact O-N 3.16Å; L175-T177 VanDerWaalsContact C-N 3.3Å; L175-T177 PolarHBondContact O-N 3.41Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.36Å; T177-G180 PolarHBondContact O-N 3.5Å; T177-R258 PolarHBondContact O-NH2 2.98Å
178	L	97.2	Very high	96.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-37.6	-178.8	-171.7	63	0	0	0	112.1	L174 L175 L254 L257 R258 L261 I263	L174-L178 WeakPolarHBondContact O-CB 3.24Å; L174-L178 PolarHBondContact O-N 2.83Å; L175-L178 HydrophobicContact CD2-CD2 4.33Å; L175-L178 PolarHBondContact O-N 2.79Å; L178-L254 HydrophobicContact CD1-CD1 4Å; L178-L257 HydrophobicContact CD1-CD2 4.08Å; L178-L257 HydrophobicContact CD1-CG 4.03Å; L178-R258 HydrophobicContact CD1-CG 3.92Å; L178-R258 VanDerWaalsContact O-CZ 3.24Å; L178-R258 PolarHBondContact O-NE 3.01Å; L178-R258 PolarHBondContact O-NH2 3.09Å; L178-L261 HydrophobicContact CD1-CD1 4.33Å; L178-L261 HydrophobicContact CD2-CD1 3.7Å; L178-I263 HydrophobicContact CD2-CD1 3.48Å; L178-I263 VanDerWaalsContact CD2-CD1 3.48Å; L178-I263 HydrophobicContact CG-CD1 3.89Å
179	L	97.2	Very high	96.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-89.9	-7.3	-179.3	-62.9	173	0	0	0	113.1	L175 T177 M181 V191 F194 W230 I263 P266	L175-L179 HydrophobicContact CB-CD1 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.17Å; L175-L179 PolarHBondContact O-N 2.8Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.36Å; L179-M181 HydrophobicContact CB-CB 4.46Å; L179-M181 HydrophobicContact CB-CG 3.92Å; L179-M181 WeakPolarHBondContact O-CE 3.24Å; L179-M181 PolarHBondContact O-N 3.18Å; L179-V191 HydrophobicContact CD1-CG2 4.09Å; L179-F194 HydrophobicContact CD1-CB 3.9Å; L179-F194 HydrophobicContact CD1-CD1 3.73Å; L179-F194 HydrophobicContact CD1-CD2 4.13Å; L179-F194 HydrophobicContact CD1-CE1 4.27Å; L179-F194 HydrophobicContact CD1-CG 3.65Å; L179-F194 HydrophobicContact CD2-CD2 3.8Å; L179-F194 HydrophobicContact CD2-CE2 3.84Å; L179-F194 HydrophobicContact CD2-CG 4.2Å; L179-F194 HydrophobicContact CD2-CZ 4.26Å; L179-W230 HydrophobicContact CB-CH2 3.97Å; L179-W230 HydrophobicContact CD2-CH2 3.85Å; L179-W230 HydrophobicContact CD2-CZ2 4.36Å; L179-W230 HydrophobicContact CG-CH2 4.46Å; L179-I263 HydrophobicContact CD2-CG2 3.95Å; L179-P266 WeakPolarHBondContact O-CG 3.46Å
180	G	95.3	Very high	96.1	Very high	34 Å²	34	11.6 Å²	11.6	35%	0.351	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	28.1	-175.5	0	0	0	0	0	113.1	H176 T177	H176-G180 WeakPolarHBondContact O-CA 3.48Å; H176-G180 PolarHBondContact O-N 2.98Å; T177-G180 PolarHBondContact O-N 3.5Å
181	M	95.3	Very high	96.1	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.015	7%	0.068	C	C	.	.			trans	-99.7	127.1	-175.3	-70.7	-63	105.8	0	0	111.3	H176 L179 A190 V191 L227 W230 P266 L270	H176-M181 WeakPolarHBondContact CB-O 3.48Å; H176-M181 PolarHBondContact ND1-O 2.88Å; H176-M181 PolarHBondContact O-N 3.25Å; L179-M181 HydrophobicContact CB-CB 4.46Å; L179-M181 HydrophobicContact CB-CG 3.92Å; L179-M181 WeakPolarHBondContact O-CE 3.24Å; L179-M181 PolarHBondContact O-N 3.18Å; M181-A190 HydrophobicContact CG-CB 4.33Å; M181-A190 HydrophobicContact SD-CB 3.81Å; M181-V191 HydrophobicContact CB-CG2 3.64Å; M181-V191 HydrophobicContact CG-CG2 3.96Å; M181-L227 HydrophobicContact CE-CD2 4.1Å; M181-L227 HydrophobicContact SD-CD2 4.27Å; M181-W230 HydrophobicContact CE-CH2 4.39Å; M181-W230 HydrophobicContact CE-CZ3 4.27Å; M181-P266 HydrophobicContact CE-CB 3.46Å; M181-P266 VanDerWaalsContact CE-CB 3.46Å; M181-P266 HydrophobicContact CE-CG 4.04Å; M181-L270 HydrophobicContact CE-CD1 4.25Å; M181-L270 HydrophobicContact SD-CD1 3.91Å
182	P	92.8	Very high	96.1	Very high	11 Å²	11	12.6 Å²	12.6	7%	0.071	7%	0.074	C	C	.	.			trans	-71.6	167	174	32.3	-36.9	0	0	0	111.6	N184 G187 L270 A272	P182-N184 WeakPolarHBondContact CG-ND2 3.46Å; P182-N184 PolarHBondContact O-N 3.47Å; P182-G187 CarbonylContact O-C 3.54Å; P182-G187 WeakPolarHBondContact O-CA 3.25Å; P182-L270 HydrophobicContact CG-CB 3.86Å; P182-L270 HydrophobicContact CG-CD1 4.41Å; P182-A272 HydrophobicContact CB-CB 4.45Å
183	T	93.1	Very high	96.2	Very high	42 Å²	42	14.4 Å²	14.4	26%	0.258	8%	0.081	S	C	.	.	S	Bend	trans	-83.9	18.9	176.2	62.7	0	0	0	0	113.8	F139 N143 E188	F139-T183 HydrophobicContact CE2-CG2 3.71Å; F139-T183 HydrophobicContact CZ-CG2 3.54Å; N143-T183 HydrophobicContact CB-CG2 4.24Å; N143-T183 WeakPolarHBondContact OD1-CG2 3.17Å; N143-T183 PolarHBondContact OD1-OG1 2.98Å; T183-E188 WeakPolarHBondContact CA-OE1 3.48Å; T183-E188 WeakPolarHBondContact CB-OE1 3.48Å
184	N	92.5	Very high	96.3	Very high	31 Å²	31	14.2 Å²	14.2	17%	0.166	8%	0.08	C	C	.	.	S	Bend	trans	-78.8	162.7	171	72.8	44.9	0	0	0	109.8	P182 L186 G187 E188	P182-N184 WeakPolarHBondContact CG-ND2 3.46Å; P182-N184 PolarHBondContact O-N 3.47Å; N184-L186 PolarHBondContact O-N 3.15Å; N184-L186 WeakPolarHBondContact OD1-CB 3.36Å; N184-L186 PolarHBondContact OD1-N 3.47Å; N184-G187 PolarHBondContact O-N 3.15Å; N184-G187 PolarHBondContact OD1-N 3.22Å; N184-E188 WeakPolarHBondContact O-CG 3.39Å; N184-E188 PolarHBondContact O-N 3.42Å
185	M	92.8	Very high	96.3	Very high	33 Å²	33	14.3 Å²	14.3	16%	0.163	8%	0.08	C	C	.	.	H	α-helix	trans	-53	-34.3	-175.2	-171.7	59.4	60.6	0	0	114.1	P73 V189 R214 L215	P73-M185 HydrophobicContact CG-CE 4.08Å; M185-V189 WeakPolarHBondContact O-CB 3.4Å; M185-V189 WeakPolarHBondContact O-CG2 3.5Å; M185-V189 PolarHBondContact O-N 3.36Å; M185-V189 VanDerWaalsContact O-N 3.15Å; M185-V189 HydrophobicContact SD-CG2 4.31Å; M185-R214 HydrophobicContact CE-CB 4.43Å; M185-R214 HydrophobicContact CG-CB 4.1Å; M185-R214 HydrophobicContact SD-CB 4.19Å; M185-L215 HydrophobicContact CB-CD2 3.99Å; M185-L215 HydrophobicContact CG-CD2 3.66Å; M185-L215 HydrophobicContact CG-CG 4.47Å
186	L	95.1	Very high	96.3	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-71.1	-45.2	178	177	62.1	0	0	0	111.4	N184 V189 A190 L215 R219 L223 L227 L270	N184-L186 PolarHBondContact O-N 3.15Å; N184-L186 WeakPolarHBondContact OD1-CB 3.36Å; N184-L186 PolarHBondContact OD1-N 3.47Å; L186-V189 PolarHBondContact O-N 3.1Å; L186-A190 PolarHBondContact O-N 2.92Å; L186-L215 HydrophobicContact CB-CD2 4.18Å; L186-L215 HydrophobicContact CD1-CD1 3.88Å; L186-R219 HydrophobicContact CD1-CB 4.49Å; L186-R219 HydrophobicContact CD2-CB 4.35Å; L186-R219 HydrophobicContact CD2-CG 4.26Å; L186-L223 HydrophobicContact CD1-CB 3.86Å; L186-L223 HydrophobicContact CD1-CD1 4.15Å; L186-L223 HydrophobicContact CD1-CG 4.5Å; L186-L227 HydrophobicContact CD1-CD1 3.99Å; L186-L227 HydrophobicContact CD2-CD1 3.84Å; L186-L227 HydrophobicContact CG-CD1 3.88Å; L186-L270 HydrophobicContact CD2-CD1 4.1Å; L186-L270 HydrophobicContact CD2-CD2 4.1Å; L186-L270 HydrophobicContact CG-CD1 4.28Å
187	G	95.6	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-43	177.9	0	0	0	0	0	112.5	P182 N184 V189 A190 V191	P182-G187 CarbonylContact O-C 3.54Å; P182-G187 WeakPolarHBondContact O-CA 3.25Å; N184-G187 PolarHBondContact O-N 3.15Å; N184-G187 PolarHBondContact OD1-N 3.22Å; G187-V189 VanDerWaalsContact C-N 3.34Å; G187-V189 PolarHBondContact O-N 2.75Å; G187-A190 PolarHBondContact O-N 2.81Å; G187-V191 WeakPolarHBondContact O-CG2 3.46Å; G187-V191 PolarHBondContact O-N 3.38Å
188	E	96.1	Very high	96.4	Very high	44 Å²	44	16.1 Å²	16.1	21%	0.206	10%	0.096	C	C	.	.	H	α-helix	trans	-55.3	-47.5	172.7	-71.9	-63.5	153.4	0	0	111.8	H172 H176 T183 N184 A190 V191 K192	H172-E188 IonicContact NE2-OE2 2.8Å; H176-E188 IonicContact CE1-OE1 2.78Å; H176-E188 PolarHBondContact CE1-OE1 2.99Å; H176-E188 IonicContact CE1-OE2 2.64Å; H176-E188 IonicContact NE2-OE1 3.74Å; H176-E188 PolarHBondContact NE2-OE1 3.33Å; H176-E188 IonicContact NE2-OE2 2.67Å; T183-E188 WeakPolarHBondContact CA-OE1 3.48Å; T183-E188 WeakPolarHBondContact CB-OE1 3.48Å; N184-E188 WeakPolarHBondContact O-CG 3.39Å; N184-E188 PolarHBondContact O-N 3.42Å; E188-A190 PolarHBondContact O-N 3.3Å; E188-V191 PolarHBondContact O-N 3.12Å; E188-K192 VanDerWaalsContact O-CG 3.29Å; E188-K192 WeakPolarHBondContact O-CG 3.47Å; E188-K192 PolarHBondContact O-N 3.5Å
189	V	96.8	Very high	96.5	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-41.2	178.5	173.5	0	0	0	0	111.3	M185 L186 G187 V191 K192 W193 P212 L223	M185-V189 WeakPolarHBondContact O-CB 3.4Å; M185-V189 WeakPolarHBondContact O-CG2 3.5Å; M185-V189 PolarHBondContact O-N 3.36Å; M185-V189 VanDerWaalsContact O-N 3.15Å; M185-V189 HydrophobicContact SD-CG2 4.31Å; L186-V189 PolarHBondContact O-N 3.1Å; G187-V189 VanDerWaalsContact C-N 3.34Å; G187-V189 PolarHBondContact O-N 2.75Å; V189-V191 PolarHBondContact O-N 2.92Å; V189-K192 PolarHBondContact O-N 3.39Å; V189-W193 PolarHBondContact O-N 3.39Å; V189-P212 HydrophobicContact CG1-CG 3.9Å; V189-L223 HydrophobicContact CG1-CD1 4.03Å; V189-L223 HydrophobicContact CG1-CD2 3.58Å; V189-L223 HydrophobicContact CG1-CG 4.48Å
190	A	97.8	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.6	0	0	0	0	0	111.9	M181 L186 G187 E188 K192 W193 F194 L227 A231	M181-A190 HydrophobicContact CG-CB 4.33Å; M181-A190 HydrophobicContact SD-CB 3.81Å; L186-A190 PolarHBondContact O-N 2.92Å; G187-A190 PolarHBondContact O-N 2.81Å; E188-A190 PolarHBondContact O-N 3.3Å; A190-K192 VanDerWaalsContact C-N 3.34Å; A190-K192 PolarHBondContact O-N 3.09Å; A190-W193 WeakPolarHBondContact O-CB 3.42Å; A190-W193 PolarHBondContact O-N 3.41Å; A190-F194 PolarHBondContact O-N 2.89Å; A190-F194 VanDerWaalsContact O-N 3.15Å; A190-L227 HydrophobicContact CB-CB 4.38Å; A190-A231 VanDerWaalsContact O-CB 3.31Å; A190-A231 WeakPolarHBondContact O-CB 3.49Å
191	V	98.1	Very high	96.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-41.3	173.7	174	0	0	0	0	110.7	L179 M181 G187 E188 V189 W193 F194 E195	L179-V191 HydrophobicContact CD1-CG2 4.09Å; M181-V191 HydrophobicContact CB-CG2 3.64Å; M181-V191 HydrophobicContact CG-CG2 3.96Å; G187-V191 WeakPolarHBondContact O-CG2 3.46Å; G187-V191 PolarHBondContact O-N 3.38Å; E188-V191 PolarHBondContact O-N 3.12Å; V189-V191 PolarHBondContact O-N 2.92Å; V191-W193 VanDerWaalsContact C-N 3.31Å; V191-W193 PolarHBondContact O-N 3.2Å; V191-F194 WeakPolarHBondContact O-CB 3.44Å; V191-F194 PolarHBondContact O-N 2.73Å; V191-F194 VanDerWaalsContact O-N 3.15Å; V191-E195 HydrophobicContact CG1-CG 4.01Å; V191-E195 WeakPolarHBondContact O-CB 3.41Å; V191-E195 WeakPolarHBondContact O-CG 3.32Å; V191-E195 PolarHBondContact O-N 3.25Å
192	K	98.1	Very high	96.8	Very high	28 Å²	28	19.2 Å²	19.2	12%	0.122	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-34.7	176.4	-69.5	-70	163.7	-149.1	0	113.2	Y168 E188 V189 A190 E195 A196 A208	Y168-K192 PolarHBondContact OH-NZ 3.48Å; E188-K192 VanDerWaalsContact O-CG 3.29Å; E188-K192 WeakPolarHBondContact O-CG 3.47Å; E188-K192 PolarHBondContact O-N 3.5Å; V189-K192 PolarHBondContact O-N 3.39Å; A190-K192 VanDerWaalsContact C-N 3.34Å; A190-K192 PolarHBondContact O-N 3.09Å; K192-E195 WeakPolarHBondContact CD-OE2 3.49Å; K192-E195 WeakPolarHBondContact CE-OE2 3.2Å; K192-E195 IonicContact NZ-OE2 2.71Å; K192-E195 PolarHBondContact NZ-OE2 2.95Å; K192-A196 WeakPolarHBondContact O-CB 3.48Å; K192-A196 PolarHBondContact O-N 3Å; K192-A208 HydrophobicContact CB-CB 4.3Å
193	W	98.6	Very high	96.9	Very high	47 Å²	47	19.1 Å²	19.1	18%	0.178	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-44.6	172.8	-81.7	52.4	0	0	0	111.6	V189 A190 V191 A196 A197 A208 F224 G228 A231 L232	V189-W193 PolarHBondContact O-N 3.39Å; A190-W193 WeakPolarHBondContact O-CB 3.42Å; A190-W193 PolarHBondContact O-N 3.41Å; V191-W193 VanDerWaalsContact C-N 3.31Å; V191-W193 PolarHBondContact O-N 3.2Å; W193-A196 PolarHBondContact O-N 3.07Å; W193-A197 PolarHBondContact O-N 2.91Å; W193-A208 VanDerWaalsContact CD1-CA 3.48Å; W193-A208 HydrophobicContact CG-CB 3.96Å; W193-A208 PolarHBondContact NE1-O 3.25Å; W193-F224 AromaticContact CH2-CD1 3.97Å; W193-F224 HydrophobicContact CH2-CD1 3.97Å; W193-F224 AromaticContact CH2-CE1 3.8Å; W193-F224 HydrophobicContact CH2-CE1 3.8Å; W193-F224 HydrophobicContact CZ2-CD1 4.23Å; W193-F224 AromaticContact CZ2-CE1 3.72Å; W193-F224 HydrophobicContact CZ2-CE1 3.72Å; W193-G228 VanDerWaalsContact CE3-C 3.41Å; W193-A231 HydrophobicContact CB-CB 3.87Å; W193-L232 HydrophobicContact CE3-CB 4.26Å
194	F	98.8	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-48.7	175	177.1	-87.8	0	0	0	111.5	L175 L179 A190 V191 A196 A197 Q198 A231 N234 G235 A238 V241 I263	L175-F194 HydrophobicContact CD1-CE1 4.39Å; L175-F194 HydrophobicContact CD2-CE1 4.16Å; L179-F194 HydrophobicContact CD1-CB 3.9Å; L179-F194 HydrophobicContact CD1-CD1 3.73Å; L179-F194 HydrophobicContact CD1-CD2 4.13Å; L179-F194 HydrophobicContact CD1-CE1 4.27Å; L179-F194 HydrophobicContact CD1-CG 3.65Å; L179-F194 HydrophobicContact CD2-CD2 3.8Å; L179-F194 HydrophobicContact CD2-CE2 3.84Å; L179-F194 HydrophobicContact CD2-CG 4.2Å; L179-F194 HydrophobicContact CD2-CZ 4.26Å; A190-F194 PolarHBondContact O-N 2.89Å; A190-F194 VanDerWaalsContact O-N 3.15Å; V191-F194 WeakPolarHBondContact O-CB 3.44Å; V191-F194 PolarHBondContact O-N 2.73Å; V191-F194 VanDerWaalsContact O-N 3.15Å; F194-A196 VanDerWaalsContact C-N 3.34Å; F194-A196 PolarHBondContact O-N 2.63Å; F194-A197 PolarHBondContact O-N 3.04Å; F194-Q198 HydrophobicContact CD1-CG 4.15Å; F194-Q198 HydrophobicContact CE1-CB 4.45Å; F194-Q198 HydrophobicContact CE1-CG 3.62Å; F194-Q198 HydrophobicContact CE2-CG 4.41Å; F194-Q198 HydrophobicContact CZ-CG 3.77Å; F194-Q198 PolarHBondContact O-N 3.11Å; F194-A231 WeakPolarHBondContact CA-O 3.29Å; F194-A231 HydrophobicContact CB-CB 4.17Å; F194-N234 HydrophobicContact CD2-CB 3.99Å; F194-N234 HydrophobicContact CE2-CB 3.98Å; F194-G235 VanDerWaalsContact CD2-CA 3.45Å; F194-G235 VanDerWaalsContact CD2-N 3.32Å; F194-A238 HydrophobicContact CE2-CB 4.39Å; F194-A238 HydrophobicContact CZ-CB 4.36Å; F194-V241 HydrophobicContact CE1-CG1 3.87Å; F194-V241 HydrophobicContact CE1-CG2 4.43Å; F194-V241 HydrophobicContact CZ-CG1 3.78Å; F194-I263 HydrophobicContact CE2-CD1 4.34Å; F194-I263 HydrophobicContact CE2-CG1 4.45Å; F194-I263 HydrophobicContact CZ-CD1 4.09Å
195	E	98.6	Very high	97.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-38.6	179	-71.3	-177.9	151.7	0	0	112.1	Y168 H172 L175 V191 K192 A197 Q198 T199 C204	Y168-E195 HydrophobicContact CE2-CB 4.42Å; Y168-E195 HydrophobicContact CE2-CG 4.16Å; Y168-E195 WeakPolarHBondContact CE2-OE1 3.1Å; Y168-E195 PolarHBondContact OH-OE1 3.31Å; Y168-E195 PolarHBondContact OH-OE2 2.9Å; H172-E195 IonicContact CE1-OE1 3.72Å; H172-E195 IonicContact CG-OE1 3.68Å; H172-E195 IonicContact ND1-OE1 2.74Å; H172-E195 PolarHBondContact ND1-OE1 3.24Å; H172-E195 IonicContact ND1-OE2 3.28Å; L175-E195 HydrophobicContact CD1-CG 3.87Å; V191-E195 HydrophobicContact CG1-CG 4.01Å; V191-E195 WeakPolarHBondContact O-CB 3.41Å; V191-E195 WeakPolarHBondContact O-CG 3.32Å; V191-E195 PolarHBondContact O-N 3.25Å; K192-E195 WeakPolarHBondContact CD-OE2 3.49Å; K192-E195 WeakPolarHBondContact CE-OE2 3.2Å; K192-E195 IonicContact NZ-OE2 2.71Å; K192-E195 PolarHBondContact NZ-OE2 2.95Å; E195-A197 VanDerWaalsContact C-N 3.31Å; E195-A197 PolarHBondContact O-N 2.98Å; E195-Q198 PolarHBondContact O-N 3.28Å; E195-T199 VanDerWaalsContact O-CB 3.3Å; E195-T199 WeakPolarHBondContact O-CB 3.4Å; E195-T199 WeakPolarHBondContact O-CG2 3.47Å; E195-T199 PolarHBondContact O-N 2.98Å; E195-T199 PolarHBondContact O-OG1 3.13Å; E195-C204 HydrophobicContact CB-CB 4.06Å
196	A	98.5	Very high	97.5	Very high	22 Å²	22	19.8 Å²	19.8	18%	0.182	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.4	0	0	0	0	0	111.2	K192 W193 F194 G200 C204 A205 A208	K192-A196 WeakPolarHBondContact O-CB 3.48Å; K192-A196 PolarHBondContact O-N 3Å; W193-A196 PolarHBondContact O-N 3.07Å; F194-A196 VanDerWaalsContact C-N 3.34Å; F194-A196 PolarHBondContact O-N 2.63Å; A196-G200 WeakPolarHBondContact O-CA 3.35Å; A196-G200 PolarHBondContact O-N 3.42Å; A196-C204 HydrophobicContact CB-CB 4.04Å; A196-A205 HydrophobicContact CB-CB 4.31Å; A196-A208 HydrophobicContact CB-CB 4.45Å
197	A	98.3	Very high	97.5	Very high	27 Å²	27	20.5 Å²	20.5	22%	0.223	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-39.5	174.4	0	0	0	0	0	113.3	W193 F194 E195 L232 R236	W193-A197 PolarHBondContact O-N 2.91Å; F194-A197 PolarHBondContact O-N 3.04Å; E195-A197 VanDerWaalsContact C-N 3.31Å; E195-A197 PolarHBondContact O-N 2.98Å; A197-L232 HydrophobicContact CB-CD1 3.97Å; A197-R236 HydrophobicContact CB-CG 4.07Å
198	Q	98.1	Very high	97.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-74.3	-36.2	-178.6	-89.3	-70.2	-48.6	0	0	113.4	R97 F194 E195 G235 A238 R239 V241	R97-Q198 PolarHBondContact NH1-O 2.68Å; F194-Q198 HydrophobicContact CD1-CG 4.15Å; F194-Q198 HydrophobicContact CE1-CB 4.45Å; F194-Q198 HydrophobicContact CE1-CG 3.62Å; F194-Q198 HydrophobicContact CE2-CG 4.41Å; F194-Q198 HydrophobicContact CZ-CG 3.77Å; F194-Q198 PolarHBondContact O-N 3.11Å; E195-Q198 PolarHBondContact O-N 3.28Å; Q198-G235 WeakPolarHBondContact CG-O 3.36Å; Q198-G235 PolarHBondContact NE2-O 2.8Å; Q198-A238 PolarHBondContact NE2-O 3.49Å; Q198-R239 PolarHBondContact OE1-O 2.97Å; Q198-V241 HydrophobicContact CB-CG2 4.29Å; Q198-V241 HydrophobicContact CG-CG1 4.32Å; Q198-V241 HydrophobicContact CG-CG2 4.16Å
199	T	98.2	Very high	97.6	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-111.5	-27.9	-165.9	68.5	0	0	0	0	113.5	Y168 E195 L201	Y168-T199 HydrophobicContact CD2-CG2 4.02Å; Y168-T199 HydrophobicContact CE2-CG2 4.25Å; E195-T199 VanDerWaalsContact O-CB 3.3Å; E195-T199 WeakPolarHBondContact O-CB 3.4Å; E195-T199 WeakPolarHBondContact O-CG2 3.47Å; E195-T199 PolarHBondContact O-N 2.98Å; E195-T199 PolarHBondContact O-OG1 3.13Å; T199-L201 HydrophobicContact CG2-CD1 4.02Å; T199-L201 PolarHBondContact O-N 3.42Å; T199-L201 VanDerWaalsContact O-N 3.16Å; T199-L201 WeakPolarHBondContact OG1-CB 3.3Å; T199-L201 PolarHBondContact OG1-N 3.39Å; T199-L201 VanDerWaalsContact OG1-N 3.15Å
200	G	97.9	Very high	97.5	Very high	49 Å²	49	25.8 Å²	25.8	51%	0.505	17%	0.169	S	C	.	.			trans	63.4	9	-169.2	0	0	0	0	0	113.8	A90 A196	A90-G200 WeakPolarHBondContact CB-O 3.33Å; A196-G200 WeakPolarHBondContact O-CA 3.35Å; A196-G200 PolarHBondContact O-N 3.42Å
201	L	98.4	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.172	C	C	.	.			trans	-68	129.2	-178.9	-68.5	158.1	0	0	0	109.7	A90 L91 L94 Y168 T199 M203 C204 A205	A90-L201 HydrophobicContact CB-CD2 3.85Å; A90-L201 HydrophobicContact CB-CG 4.19Å; L91-L201 HydrophobicContact CD2-CD2 4.08Å; L91-L201 HydrophobicContact CG-CD2 4.12Å; L94-L201 HydrophobicContact CD1-CD1 4.37Å; L94-L201 HydrophobicContact CD1-CG 4.39Å; Y168-L201 HydrophobicContact CD1-CD1 3.94Å; Y168-L201 HydrophobicContact CD2-CD1 3.98Å; Y168-L201 HydrophobicContact CE1-CD1 4.15Å; Y168-L201 HydrophobicContact CE2-CD1 4.19Å; Y168-L201 HydrophobicContact CG-CD1 3.87Å; T199-L201 HydrophobicContact CG2-CD1 4.02Å; T199-L201 PolarHBondContact O-N 3.42Å; T199-L201 VanDerWaalsContact O-N 3.16Å; T199-L201 WeakPolarHBondContact OG1-CB 3.3Å; T199-L201 PolarHBondContact OG1-N 3.39Å; T199-L201 VanDerWaalsContact OG1-N 3.15Å; L201-M203 VanDerWaalsContact C-N 3.26Å; L201-M203 HydrophobicContact CB-CE 3.61Å; L201-M203 HydrophobicContact CB-SD 3.29Å; L201-M203 WeakPolarHBondContact CB-SD 3.45Å; L201-M203 HydrophobicContact CD1-CE 3.85Å; L201-M203 HydrophobicContact CD1-SD 4.11Å; L201-M203 HydrophobicContact CD2-CE 3.83Å; L201-M203 HydrophobicContact CG-CE 3.96Å; L201-M203 HydrophobicContact CG-SD 4.18Å; L201-M203 PolarHBondContact O-N 3.48Å; L201-C204 WeakPolarHBondContact O-CB 3.29Å; L201-C204 PolarHBondContact O-N 3.27Å; L201-A205 PolarHBondContact O-N 2.85Å
202	P	97.8	Very high	97.1	Very high	47 Å²	47	26.5 Å²	26.5	31%	0.305	18%	0.175	S	C	.	.	H	α-helix	trans	-58.3	-35.2	-176	-29.1	37	0	0	0	114	T86 C204 A205 L206	T86-P202 WeakPolarHBondContact O-CG 3.48Å; P202-C204 VanDerWaalsContact C-N 3.28Å; P202-C204 PolarHBondContact O-N 3.12Å; P202-A205 PolarHBondContact O-N 3.2Å; P202-L206 WeakPolarHBondContact O-CB 3.41Å; P202-L206 VanDerWaalsContact O-CG 3.3Å; P202-L206 WeakPolarHBondContact O-CG 3.34Å; P202-L206 PolarHBondContact O-N 3.37Å
203	M	96.4	Very high	96.9	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-31.6	178.7	91.6	-58.8	-95.2	0	0	112.7	V79 L82 M165 Y168 L201 G207	V79-M203 HydrophobicContact CG1-CG 4.44Å; L82-M203 HydrophobicContact CD2-CB 3.98Å; L82-M203 HydrophobicContact CG-CB 4.03Å; M165-M203 HydrophobicContact CE-CE 3.59Å; M165-M203 HydrophobicContact SD-CE 4.05Å; Y168-M203 HydrophobicContact CE1-CE 4.29Å; Y168-M203 HydrophobicContact CE1-SD 4.38Å; L201-M203 VanDerWaalsContact C-N 3.26Å; L201-M203 HydrophobicContact CB-CE 3.61Å; L201-M203 HydrophobicContact CB-SD 3.29Å; L201-M203 WeakPolarHBondContact CB-SD 3.45Å; L201-M203 HydrophobicContact CD1-CE 3.85Å; L201-M203 HydrophobicContact CD1-SD 4.11Å; L201-M203 HydrophobicContact CD2-CE 3.83Å; L201-M203 HydrophobicContact CG-CE 3.96Å; L201-M203 HydrophobicContact CG-SD 4.18Å; L201-M203 PolarHBondContact O-N 3.48Å; M203-G207 PolarHBondContact O-N 3.03Å
204	C	97.6	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-46.9	174.9	-65.1	0	0	0	0	110.4	Y168 E195 A196 L201 P202 L206 G207 A208	Y168-C204 PolarHBondContact OH-SG 2.95Å; E195-C204 HydrophobicContact CB-CB 4.06Å; A196-C204 HydrophobicContact CB-CB 4.04Å; L201-C204 WeakPolarHBondContact O-CB 3.29Å; L201-C204 PolarHBondContact O-N 3.27Å; P202-C204 VanDerWaalsContact C-N 3.28Å; P202-C204 PolarHBondContact O-N 3.12Å; C204-L206 PolarHBondContact O-N 3.07Å; C204-G207 PolarHBondContact O-N 3.33Å; C204-A208 WeakPolarHBondContact O-CB 3.5Å; C204-A208 PolarHBondContact O-N 3.48Å
205	A	97.8	Very high	96.2	Very high	42 Å²	42	34.8 Å²	34.8	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-43.3	177.3	0	0	0	0	0	111.8	A196 L201 P202 A208 V209	A196-A205 HydrophobicContact CB-CB 4.31Å; L201-A205 PolarHBondContact O-N 2.85Å; P202-A205 PolarHBondContact O-N 3.2Å; A205-A208 WeakPolarHBondContact O-CB 3.27Å; A205-A208 PolarHBondContact O-N 3.48Å; A205-V209 WeakPolarHBondContact O-CB 3.48Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.41Å; A205-V209 PolarHBondContact O-N 2.86Å
206	L	96.1	Very high	96	Very high	78 Å²	78	39 Å²	39	41%	0.408	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-43.4	174.5	-71.5	170.9	0	0	0	111.6	L82 P202 C204 A208 V209 L210	L82-L206 HydrophobicContact CD2-CD1 4.15Å; P202-L206 WeakPolarHBondContact O-CB 3.41Å; P202-L206 VanDerWaalsContact O-CG 3.3Å; P202-L206 WeakPolarHBondContact O-CG 3.34Å; P202-L206 PolarHBondContact O-N 3.37Å; C204-L206 PolarHBondContact O-N 3.07Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 3.28Å; L206-V209 PolarHBondContact O-N 2.84Å; L206-L210 HydrophobicContact CD2-CD1 4.16Å; L206-L210 VanDerWaalsContact O-CB 3.29Å; L206-L210 WeakPolarHBondContact O-CB 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.46Å; L206-L210 PolarHBondContact O-N 3.41Å
207	G	95.1	Very high	95.8	Very high	24 Å²	24	41.8 Å²	41.8	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-40.7	174.2	0	0	0	0	0	112.8	M203 C204 G211	M203-G207 PolarHBondContact O-N 3.03Å; C204-G207 PolarHBondContact O-N 3.33Å; G207-G211 VanDerWaalsContact O-CA 3.28Å; G207-G211 WeakPolarHBondContact O-CA 3.28Å; G207-G211 PolarHBondContact O-N 2.98Å
208	A	96.1	Very high	95.6	Very high	7 Å²	7	44.7 Å²	44.7	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-39	176.5	0	0	0	0	0	112.7	K192 W193 A196 C204 A205 L206 P212	K192-A208 HydrophobicContact CB-CB 4.3Å; W193-A208 VanDerWaalsContact CD1-CA 3.48Å; W193-A208 HydrophobicContact CG-CB 3.96Å; W193-A208 PolarHBondContact NE1-O 3.25Å; A196-A208 HydrophobicContact CB-CB 4.45Å; C204-A208 WeakPolarHBondContact O-CB 3.5Å; C204-A208 PolarHBondContact O-N 3.48Å; A205-A208 WeakPolarHBondContact O-CB 3.27Å; A205-A208 PolarHBondContact O-N 3.48Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 3.28Å; A208-P212 WeakPolarHBondContact O-CD 3.42Å; A208-P212 WeakPolarHBondContact O-CG 3.25Å
209	V	96.3	Very high	95.4	Very high	102 Å²	102	48.7 Å²	48.7	62%	0.618	30%	0.296	S	S	*	.	H	α-helix	trans	-83.1	-41.2	-177.4	171.9	0	0	0	0	112.5	A205 L206 P212	A205-V209 WeakPolarHBondContact O-CB 3.48Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.41Å; A205-V209 PolarHBondContact O-N 2.86Å; L206-V209 PolarHBondContact O-N 2.84Å; V209-P212 WeakPolarHBondContact O-CD 3.42Å
210	L	94.3	Very high	95.2	Very high	50 Å²	50	51 Å²	51	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-97.5	-24	-171.9	-58.8	174.9	0	0	0	113	L70 L206 P212 L213	L70-L210 HydrophobicContact CD1-CD1 4.13Å; L70-L210 HydrophobicContact CD2-CB 3.94Å; L70-L210 HydrophobicContact CD2-CD1 3.47Å; L70-L210 VanDerWaalsContact CD2-CD1 3.47Å; L70-L210 HydrophobicContact CD2-CG 4.31Å; L70-L210 HydrophobicContact CG-CD1 4.4Å; L206-L210 HydrophobicContact CD2-CD1 4.16Å; L206-L210 VanDerWaalsContact O-CB 3.29Å; L206-L210 WeakPolarHBondContact O-CB 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.46Å; L206-L210 PolarHBondContact O-N 3.41Å; L210-P212 VanDerWaalsContact C-CD 3.46Å; L210-L213 HydrophobicContact CD2-CD1 4.09Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 3.25Å
211	G	92.9	Very high	95.1	Very high	5 Å²	5	54.5 Å²	54.5	5%	0.052	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.8	-40.8	172.9	0	0	0	0	0	115	G207 L213 R214	G207-G211 VanDerWaalsContact O-CA 3.28Å; G207-G211 WeakPolarHBondContact O-CA 3.28Å; G207-G211 PolarHBondContact O-N 2.98Å; G211-L213 PolarHBondContact O-N 2.75Å; G211-L213 VanDerWaalsContact O-N 3.11Å; G211-R214 PolarHBondContact O-N 3.46Å
212	P	95.1	Very high	94.9	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.058	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-55.2	-26.7	175.9	-26	32.2	0	0	0	114.9	V189 A208 V209 L210 R214 L215 L220 L223 F224	V189-P212 HydrophobicContact CG1-CG 3.9Å; A208-P212 WeakPolarHBondContact O-CD 3.42Å; A208-P212 WeakPolarHBondContact O-CG 3.25Å; V209-P212 WeakPolarHBondContact O-CD 3.42Å; L210-P212 VanDerWaalsContact C-CD 3.46Å; P212-R214 PolarHBondContact O-N 2.81Å; P212-L215 WeakPolarHBondContact O-CB 3.42Å; P212-L215 PolarHBondContact O-N 3.22Å; P212-L220 HydrophobicContact CB-CD1 3.66Å; P212-L223 HydrophobicContact CB-CD2 3.98Å; P212-L223 HydrophobicContact CG-CD2 3.71Å; P212-F224 HydrophobicContact CB-CE2 4.5Å; P212-F224 HydrophobicContact CB-CZ 4.39Å
213	L	93.4	Very high	94.8	Very high	140 Å²	140	54 Å²	54	73%	0.733	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62	-16.2	177.4	-59.7	175.8	0	0	0	113.1	L210 G211	L210-L213 HydrophobicContact CD2-CD1 4.09Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 3.25Å; G211-L213 PolarHBondContact O-N 2.75Å; G211-L213 VanDerWaalsContact O-N 3.11Å
214	R	90.2	Very high	94.8	Very high	91 Å²	91	58.7 Å²	58.7	34%	0.343	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-98	6.3	177.5	-58.4	-169.8	-175.9	90.4	-11.9	113.5	L70 M185 G211 P212	L70-R214 VanDerWaalsContact C-NH2 3.34Å; L70-R214 PolarHBondContact O-NH2 3.39Å; M185-R214 HydrophobicContact CE-CB 4.43Å; M185-R214 HydrophobicContact CG-CB 4.1Å; M185-R214 HydrophobicContact SD-CB 4.19Å; G211-R214 PolarHBondContact O-N 3.46Å; P212-R214 PolarHBondContact O-N 2.81Å
215	L	92.9	Very high	94.7	Very high	19 Å²	19	63 Å²	63	10%	0.099	36%	0.355	C	S	.	.	S	Bend	trans	-96.4	146.5	178.4	-62.3	-179.6	0	0	0	111.1	M185 L186 P212 R219 L220 L223	M185-L215 HydrophobicContact CB-CD2 3.99Å; M185-L215 HydrophobicContact CG-CD2 3.66Å; M185-L215 HydrophobicContact CG-CG 4.47Å; L186-L215 HydrophobicContact CB-CD2 4.18Å; L186-L215 HydrophobicContact CD1-CD1 3.88Å; P212-L215 WeakPolarHBondContact O-CB 3.42Å; P212-L215 PolarHBondContact O-N 3.22Å; L215-R219 HydrophobicContact CB-CB 4.12Å; L215-R219 HydrophobicContact CD1-CB 4.43Å; L215-R219 HydrophobicContact CD2-CB 4.17Å; L215-R219 HydrophobicContact CG-CB 4.48Å; L215-L220 HydrophobicContact CB-CB 4.42Å; L215-L220 HydrophobicContact CB-CD1 4.38Å; L215-L220 HydrophobicContact CD1-CD1 4.48Å; L215-L223 HydrophobicContact CD1-CB 4.34Å; L215-L223 HydrophobicContact CD1-CD2 3.83Å
216	N	93.9	Very high	94.6	Very high	88 Å²	88	62.4 Å²	62.4	47%	0.471	35%	0.349	S	S	.	.			trans	-74.2	165.2	167.3	66.1	36.7	0	0	0	110.8	S218 R219 L220	N216-S218 VanDerWaalsContact C-N 3.3Å; N216-S218 PolarHBondContact O-N 3.41Å; N216-S218 PolarHBondContact OD1-N 2.96Å; N216-R219 PolarHBondContact O-N 2.97Å; N216-R219 VanDerWaalsContact O-N 3.16Å; N216-R219 WeakPolarHBondContact OD1-CB 3.39Å; N216-R219 WeakPolarHBondContact OD1-CG 3.4Å; N216-R219 PolarHBondContact OD1-N 2.71Å; N216-L220 WeakPolarHBondContact O-CB 3.41Å; N216-L220 PolarHBondContact O-N 2.67Å
217	A	95.3	Very high	94.6	Very high	82 Å²	82	58.7 Å²	58.7	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-54.8	-41	-174.6	0	0	0	0	0	113.8	L220 Q221	A217-L220 PolarHBondContact O-N 2.66Å; A217-Q221 WeakPolarHBondContact O-CB 3.4Å; A217-Q221 PolarHBondContact O-N 3.22Å
218	S	93.7	Very high	94.7	Very high	87 Å²	87	57.6 Å²	57.6	61%	0.608	32%	0.317	S	S	*	.	H	α-helix	trans	-64.8	-47.3	178.7	171.4	0	0	0	0	112.1	N216 L220 Q221 S222	N216-S218 VanDerWaalsContact C-N 3.3Å; N216-S218 PolarHBondContact O-N 3.41Å; N216-S218 PolarHBondContact OD1-N 2.96Å; S218-L220 VanDerWaalsContact C-N 3.33Å; S218-L220 PolarHBondContact O-N 3.02Å; S218-Q221 WeakPolarHBondContact O-CB 3.2Å; S218-Q221 PolarHBondContact O-N 3.23Å; S218-S222 PolarHBondContact O-N 2.64Å; S218-S222 PolarHBondContact O-OG 3.05Å
219	R	93.8	Very high	94.7	Very high	87 Å²	87	60.1 Å²	60.1	33%	0.328	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-35.9	177.1	-70.5	179.4	177.2	179.4	-1.3	112	L186 L215 N216 S222 L223	L186-R219 HydrophobicContact CD1-CB 4.49Å; L186-R219 HydrophobicContact CD2-CB 4.35Å; L186-R219 HydrophobicContact CD2-CG 4.26Å; L215-R219 HydrophobicContact CB-CB 4.12Å; L215-R219 HydrophobicContact CD1-CB 4.43Å; L215-R219 HydrophobicContact CD2-CB 4.17Å; L215-R219 HydrophobicContact CG-CB 4.48Å; N216-R219 PolarHBondContact O-N 2.97Å; N216-R219 VanDerWaalsContact O-N 3.16Å; N216-R219 WeakPolarHBondContact OD1-CB 3.39Å; N216-R219 WeakPolarHBondContact OD1-CG 3.4Å; N216-R219 PolarHBondContact OD1-N 2.71Å; R219-S222 PolarHBondContact O-N 3.15Å; R219-L223 WeakPolarHBondContact O-CB 3.29Å; R219-L223 PolarHBondContact O-N 3.49Å
220	L	94.9	Very high	94.8	Very high	57 Å²	57	56 Å²	56	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-42.9	175.8	-164.8	66.2	0	0	0	111	P212 L215 N216 A217 S218 L223 F224	P212-L220 HydrophobicContact CB-CD1 3.66Å; L215-L220 HydrophobicContact CB-CB 4.42Å; L215-L220 HydrophobicContact CB-CD1 4.38Å; L215-L220 HydrophobicContact CD1-CD1 4.48Å; N216-L220 WeakPolarHBondContact O-CB 3.41Å; N216-L220 PolarHBondContact O-N 2.67Å; A217-L220 PolarHBondContact O-N 2.66Å; S218-L220 VanDerWaalsContact C-N 3.33Å; S218-L220 PolarHBondContact O-N 3.02Å; L220-L223 WeakPolarHBondContact O-CB 3.14Å; L220-L223 PolarHBondContact O-N 3.25Å; L220-F224 HydrophobicContact CD1-CD2 3.9Å; L220-F224 HydrophobicContact CD1-CE2 3.41Å; L220-F224 VanDerWaalsContact CD1-CE2 3.41Å; L220-F224 HydrophobicContact CD1-CZ 4.44Å; L220-F224 HydrophobicContact CD2-CE2 4.47Å; L220-F224 HydrophobicContact CG-CD2 3.85Å; L220-F224 HydrophobicContact CG-CE2 3.77Å; L220-F224 WeakPolarHBondContact O-CD2 3.48Å; L220-F224 PolarHBondContact O-N 3.24Å
221	Q	95.1	Very high	95	Very high	122 Å²	122	53.7 Å²	53.7	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-59	-53.1	173.5	-172.9	67.8	17.9	0	0	110.6	A217 S218 L223 F224 T225	A217-Q221 WeakPolarHBondContact O-CB 3.4Å; A217-Q221 PolarHBondContact O-N 3.22Å; S218-Q221 WeakPolarHBondContact O-CB 3.2Å; S218-Q221 PolarHBondContact O-N 3.23Å; Q221-L223 PolarHBondContact O-N 3.44Å; Q221-F224 PolarHBondContact O-N 3.23Å; Q221-T225 HydrophobicContact CG-CG2 4.31Å; Q221-T225 WeakPolarHBondContact O-CG2 3.5Å; Q221-T225 PolarHBondContact O-N 3.02Å; Q221-T225 PolarHBondContact O-OG1 2.95Å
222	S	94.3	Very high	95.3	Very high	37 Å²	37	55.7 Å²	55.7	26%	0.259	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-36.5	177.7	-61.1	0	0	0	0	113	S218 R219 S226 L227	S218-S222 PolarHBondContact O-N 2.64Å; S218-S222 PolarHBondContact O-OG 3.05Å; R219-S222 PolarHBondContact O-N 3.15Å; S222-S226 WeakPolarHBondContact O-CB 3.29Å; S222-S226 PolarHBondContact O-N 2.8Å; S222-L227 PolarHBondContact O-N 3.03Å; S222-L227 VanDerWaalsContact O-N 3.09Å
223	L	96.1	Very high	95.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-63.3	-56	175.3	-178.3	68.3	0	0	0	110.7	L186 V189 P212 L215 R219 L220 Q221 L227 G228 P229	L186-L223 HydrophobicContact CD1-CB 3.86Å; L186-L223 HydrophobicContact CD1-CD1 4.15Å; L186-L223 HydrophobicContact CD1-CG 4.5Å; V189-L223 HydrophobicContact CG1-CD1 4.03Å; V189-L223 HydrophobicContact CG1-CD2 3.58Å; V189-L223 HydrophobicContact CG1-CG 4.48Å; P212-L223 HydrophobicContact CB-CD2 3.98Å; P212-L223 HydrophobicContact CG-CD2 3.71Å; L215-L223 HydrophobicContact CD1-CB 4.34Å; L215-L223 HydrophobicContact CD1-CD2 3.83Å; R219-L223 WeakPolarHBondContact O-CB 3.29Å; R219-L223 PolarHBondContact O-N 3.49Å; L220-L223 WeakPolarHBondContact O-CB 3.14Å; L220-L223 PolarHBondContact O-N 3.25Å; Q221-L223 PolarHBondContact O-N 3.44Å; L223-L227 HydrophobicContact CD1-CB 4.29Å; L223-L227 PolarHBondContact O-N 2.91Å; L223-G228 WeakPolarHBondContact O-CA 3.1Å; L223-G228 PolarHBondContact O-N 3.16Å; L223-P229 WeakPolarHBondContact O-CD 3.37Å
224	F	96.4	Very high	95.6	Very high	106 Å²	106	53 Å²	53	47%	0.465	29%	0.287	S	S	.	.	I	π-helix	trans	-75.7	-27.7	-172	-75.8	-64.5	0	0	0	114.3	W193 P212 L220 Q221 P229	W193-F224 AromaticContact CH2-CD1 3.97Å; W193-F224 HydrophobicContact CH2-CD1 3.97Å; W193-F224 AromaticContact CH2-CE1 3.8Å; W193-F224 HydrophobicContact CH2-CE1 3.8Å; W193-F224 HydrophobicContact CZ2-CD1 4.23Å; W193-F224 AromaticContact CZ2-CE1 3.72Å; W193-F224 HydrophobicContact CZ2-CE1 3.72Å; P212-F224 HydrophobicContact CB-CE2 4.5Å; P212-F224 HydrophobicContact CB-CZ 4.39Å; L220-F224 HydrophobicContact CD1-CD2 3.9Å; L220-F224 HydrophobicContact CD1-CE2 3.41Å; L220-F224 VanDerWaalsContact CD1-CE2 3.41Å; L220-F224 HydrophobicContact CD1-CZ 4.44Å; L220-F224 HydrophobicContact CD2-CE2 4.47Å; L220-F224 HydrophobicContact CG-CD2 3.85Å; L220-F224 HydrophobicContact CG-CE2 3.77Å; L220-F224 WeakPolarHBondContact O-CD2 3.48Å; L220-F224 PolarHBondContact O-N 3.24Å; Q221-F224 PolarHBondContact O-N 3.23Å; F224-P229 WeakPolarHBondContact O-CD 3.28Å; F224-P229 WeakPolarHBondContact O-CG 3.46Å
225	T	95	Very high	96	Very high	89 Å²	89	48.8 Å²	48.8	55%	0.546	27%	0.271	S	S	.	.	I	π-helix	trans	-87.6	-21.8	179.5	61.2	0	0	0	0	114	Q221	Q221-T225 HydrophobicContact CG-CG2 4.31Å; Q221-T225 WeakPolarHBondContact O-CG2 3.5Å; Q221-T225 PolarHBondContact O-N 3.02Å; Q221-T225 PolarHBondContact O-OG1 2.95Å
226	S	94.9	Very high	96.2	Very high	31 Å²	31	56.4 Å²	56.4	22%	0.217	30%	0.298	C	S	.	.	I	π-helix	trans	-137.5	-68.4	-169.3	-170	0	0	0	0	112.7	S222 G228 W230 P267	S222-S226 WeakPolarHBondContact O-CB 3.29Å; S222-S226 PolarHBondContact O-N 2.8Å; S226-G228 PolarHBondContact O-N 2.76Å; S226-W230 VanDerWaalsContact O-CB 3.24Å; S226-W230 WeakPolarHBondContact O-CB 3.31Å; S226-W230 PolarHBondContact O-N 3.01Å; S226-W230 VanDerWaalsContact O-N 3.1Å; S226-P267 WeakPolarHBondContact OG-CB 3.34Å; S226-P267 WeakPolarHBondContact OG-CG 3.41Å
227	L	96.5	Very high	96.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-69.3	-40.2	-168.5	-69.2	166.2	0	0	0	113.9	M181 L186 A190 S222 L223 A231 P267 L268 L270	M181-L227 HydrophobicContact CE-CD2 4.1Å; M181-L227 HydrophobicContact SD-CD2 4.27Å; L186-L227 HydrophobicContact CD1-CD1 3.99Å; L186-L227 HydrophobicContact CD2-CD1 3.84Å; L186-L227 HydrophobicContact CG-CD1 3.88Å; A190-L227 HydrophobicContact CB-CB 4.38Å; S222-L227 PolarHBondContact O-N 3.03Å; S222-L227 VanDerWaalsContact O-N 3.09Å; L223-L227 HydrophobicContact CD1-CB 4.29Å; L223-L227 PolarHBondContact O-N 2.91Å; L227-A231 WeakPolarHBondContact O-CB 3.34Å; L227-A231 PolarHBondContact O-N 3.14Å; L227-P267 HydrophobicContact CD2-CG 4.2Å; L227-L268 HydrophobicContact CD1-CD1 4.17Å; L227-L268 HydrophobicContact CD2-CB 4.38Å; L227-L268 HydrophobicContact CG-CD1 4.08Å; L227-L270 HydrophobicContact CD1-CD1 3.85Å
228	G	97	Very high	96.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-56.2	179.6	0	0	0	0	0	112	W193 L223 S226 W230 A231 L232	W193-G228 VanDerWaalsContact CE3-C 3.41Å; L223-G228 WeakPolarHBondContact O-CA 3.1Å; L223-G228 PolarHBondContact O-N 3.16Å; S226-G228 PolarHBondContact O-N 2.76Å; G228-W230 VanDerWaalsContact C-N 3.3Å; G228-W230 PolarHBondContact O-N 3.25Å; G228-A231 PolarHBondContact O-N 3.2Å; G228-L232 WeakPolarHBondContact O-CB 3.38Å; G228-L232 PolarHBondContact O-N 3.03Å
229	P	97.6	Very high	96.5	Very high	60 Å²	60	53.9 Å²	53.9	39%	0.39	25%	0.253	S	S	.	.	H	α-helix	trans	-54.4	-44.7	173.9	-27.4	35.2	0	0	0	112.9	L223 F224 L232 Q233	L223-P229 WeakPolarHBondContact O-CD 3.37Å; F224-P229 WeakPolarHBondContact O-CD 3.28Å; F224-P229 WeakPolarHBondContact O-CG 3.46Å; P229-L232 PolarHBondContact O-N 3.35Å; P229-Q233 VanDerWaalsContact O-CB 3.29Å; P229-Q233 WeakPolarHBondContact O-CB 3.2Å; P229-Q233 PolarHBondContact O-N 3.27Å
230	W	98	Very high	96.7	Very high	17 Å²	17	50.2 Å²	50.2	6%	0.064	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-49.9	175.7	167.5	86.3	0	0	0	112.1	L179 M181 S226 G228 L232 Q233 N234 E264 P265 P266 P267	L179-W230 HydrophobicContact CB-CH2 3.97Å; L179-W230 HydrophobicContact CD2-CH2 3.85Å; L179-W230 HydrophobicContact CD2-CZ2 4.36Å; L179-W230 HydrophobicContact CG-CH2 4.46Å; M181-W230 HydrophobicContact CE-CH2 4.39Å; M181-W230 HydrophobicContact CE-CZ3 4.27Å; S226-W230 VanDerWaalsContact O-CB 3.24Å; S226-W230 WeakPolarHBondContact O-CB 3.31Å; S226-W230 PolarHBondContact O-N 3.01Å; S226-W230 VanDerWaalsContact O-N 3.1Å; G228-W230 VanDerWaalsContact C-N 3.3Å; G228-W230 PolarHBondContact O-N 3.25Å; W230-L232 VanDerWaalsContact C-N 3.33Å; W230-L232 PolarHBondContact O-N 3.19Å; W230-Q233 PolarHBondContact O-N 3.14Å; W230-N234 PolarHBondContact NE1-ND2 2.92Å; W230-N234 WeakPolarHBondContact O-CB 3.44Å; W230-N234 PolarHBondContact O-N 3.26Å; W230-N234 PolarHBondContact O-ND2 3.5Å; W230-E264 VanDerWaalsContact CZ2-O 3.3Å; W230-E264 WeakPolarHBondContact CZ2-O 3.4Å; W230-E264 PolarHBondContact NE1-O 3.05Å; W230-E264 VanDerWaalsContact NE1-O 3.08Å; W230-P265 PolarHBondContact NE1-O 2.65Å; W230-P266 HydrophobicContact CH2-CB 3.86Å; W230-P266 VanDerWaalsContact CZ2-CA 3.5Å; W230-P266 HydrophobicContact CZ2-CB 3.8Å; W230-P266 HydrophobicContact CZ3-CB 4.35Å; W230-P267 HydrophobicContact CB-CG 4.09Å; W230-P267 VanDerWaalsContact CG-CD 3.47Å; W230-P267 HydrophobicContact CG-CG 4.11Å
231	A	98.2	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-41.1	-178.6	0	0	0	0	0	111.6	A190 W193 F194 L227 G228 G235	A190-A231 VanDerWaalsContact O-CB 3.31Å; A190-A231 WeakPolarHBondContact O-CB 3.49Å; W193-A231 HydrophobicContact CB-CB 3.87Å; F194-A231 WeakPolarHBondContact CA-O 3.29Å; F194-A231 HydrophobicContact CB-CB 4.17Å; L227-A231 WeakPolarHBondContact O-CB 3.34Å; L227-A231 PolarHBondContact O-N 3.14Å; G228-A231 PolarHBondContact O-N 3.2Å; A231-G235 PolarHBondContact O-N 2.93Å
232	L	98	Very high	97	Very high	47 Å²	47	41.9 Å²	41.9	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-42.4	177.5	-171.6	72.6	0	0	0	111.8	W193 A197 G228 P229 W230 G235 R236	W193-L232 HydrophobicContact CE3-CB 4.26Å; A197-L232 HydrophobicContact CB-CD1 3.97Å; G228-L232 WeakPolarHBondContact O-CB 3.38Å; G228-L232 PolarHBondContact O-N 3.03Å; P229-L232 PolarHBondContact O-N 3.35Å; W230-L232 VanDerWaalsContact C-N 3.33Å; W230-L232 PolarHBondContact O-N 3.19Å; L232-G235 PolarHBondContact O-N 3.28Å; L232-R236 WeakPolarHBondContact O-CB 3.27Å; L232-R236 VanDerWaalsContact O-CG 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.49Å; L232-R236 PolarHBondContact O-N 3.26Å
233	Q	98.1	Very high	97.2	Very high	91 Å²	91	40.1 Å²	40.1	43%	0.425	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-48.4	177.9	-175.4	176.6	21.3	0	0	111.1	P229 W230 R236 R237	P229-Q233 VanDerWaalsContact O-CB 3.29Å; P229-Q233 WeakPolarHBondContact O-CB 3.2Å; P229-Q233 PolarHBondContact O-N 3.27Å; W230-Q233 PolarHBondContact O-N 3.14Å; Q233-R236 PolarHBondContact O-N 2.62Å; Q233-R237 WeakPolarHBondContact O-CB 3.44Å; Q233-R237 WeakPolarHBondContact O-CG 3.36Å; Q233-R237 PolarHBondContact O-N 3.42Å
234	N	98.1	Very high	97.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-45.1	175.6	-80.5	-78.7	0	0	0	111.4	F194 W230 R236 R237 A238 I263 E264	F194-N234 HydrophobicContact CD2-CB 3.99Å; F194-N234 HydrophobicContact CE2-CB 3.98Å; W230-N234 PolarHBondContact NE1-ND2 2.92Å; W230-N234 WeakPolarHBondContact O-CB 3.44Å; W230-N234 PolarHBondContact O-N 3.26Å; W230-N234 PolarHBondContact O-ND2 3.5Å; N234-R236 PolarHBondContact O-N 2.84Å; N234-R237 PolarHBondContact O-N 2.86Å; N234-A238 WeakPolarHBondContact O-CB 3.35Å; N234-A238 PolarHBondContact O-N 2.88Å; N234-I263 VanDerWaalsContact OD1-CA 3.27Å; N234-I263 WeakPolarHBondContact OD1-CA 3.43Å; N234-E264 PolarHBondContact OD1-N 2.86Å
235	G	97.8	Very high	97.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-28.7	178.2	0	0	0	0	0	113.4	F194 Q198 A231 L232	F194-G235 VanDerWaalsContact CD2-CA 3.45Å; F194-G235 VanDerWaalsContact CD2-N 3.32Å; Q198-G235 WeakPolarHBondContact CG-O 3.36Å; Q198-G235 PolarHBondContact NE2-O 2.8Å; A231-G235 PolarHBondContact O-N 2.93Å; L232-G235 PolarHBondContact O-N 3.28Å
236	R	97.3	Very high	97.5	Very high	179 Å²	179	31 Å²	31	68%	0.675	14%	0.141	S	C	*	.	H	α-helix	trans	-81.4	-35.7	175.4	-74.1	171.9	176.3	162.8	-1.6	113.6	A197 L232 Q233 N234	A197-R236 HydrophobicContact CB-CG 4.07Å; L232-R236 WeakPolarHBondContact O-CB 3.27Å; L232-R236 VanDerWaalsContact O-CG 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.49Å; L232-R236 PolarHBondContact O-N 3.26Å; Q233-R236 PolarHBondContact O-N 2.62Å; N234-R236 PolarHBondContact O-N 2.84Å
237	R	96.4	Very high	97.6	Very high	129 Å²	129	31.3 Å²	31.3	49%	0.487	14%	0.139	S	C	.	.	H	α-helix	trans	-88.6	-24.6	-174	-67	178.1	96.2	-173.4	6.3	113.1	Q233 N234 N262 E264	Q233-R237 WeakPolarHBondContact O-CB 3.44Å; Q233-R237 WeakPolarHBondContact O-CG 3.36Å; Q233-R237 PolarHBondContact O-N 3.42Å; N234-R237 PolarHBondContact O-N 2.86Å; R237-N262 PolarHBondContact O-ND2 3.27Å; R237-E264 IonicContact NH1-OE1 3.29Å; R237-E264 PolarHBondContact NH1-OE1 3.24Å
238	A	97.3	Very high	97.7	Very high	7 Å²	7	38.1 Å²	38.1	6%	0.058	16%	0.164	C	C	.	.	S	Bend	trans	-70.1	146.8	-176.3	0	0	0	0	0	112.1	F194 Q198 N234 L261 I263	F194-A238 HydrophobicContact CE2-CB 4.39Å; F194-A238 HydrophobicContact CZ-CB 4.36Å; Q198-A238 PolarHBondContact NE2-O 3.49Å; N234-A238 WeakPolarHBondContact O-CB 3.35Å; N234-A238 PolarHBondContact O-N 2.88Å; A238-L261 WeakPolarHBondContact CA-O 3.4Å; A238-L261 VanDerWaalsContact CB-O 3.25Å; A238-L261 WeakPolarHBondContact CB-O 3.41Å; A238-I263 HydrophobicContact CB-CD1 4.23Å; A238-I263 HydrophobicContact CB-CG1 3.73Å
239	R	96.3	Very high	97.7	Very high	68 Å²	68	40 Å²	40	26%	0.257	17%	0.171	S	C	.	.			trans	-54.5	150.6	166.7	-175.3	171.9	172.6	-142.5	-4.2	109.5	D101 E103 Q198 V241 I244 L261	D101-R239 VanDerWaalsContact CG-NH2 3.3Å; D101-R239 IonicContact OD1-CZ 3.23Å; D101-R239 IonicContact OD1-NE 3.01Å; D101-R239 IonicContact OD1-NH2 2.61Å; D101-R239 PolarHBondContact OD1-NH2 3.44Å; D101-R239 IonicContact OD2-CZ 3.29Å; D101-R239 IonicContact OD2-NE 3.9Å; D101-R239 PolarHBondContact OD2-NE 3.23Å; D101-R239 IonicContact OD2-NH2 2.88Å; D101-R239 PolarHBondContact OD2-NH2 2.83Å; E103-R239 IonicContact OE2-CZ 2.88Å; E103-R239 VanDerWaalsContact OE2-CZ 3.23Å; E103-R239 IonicContact OE2-NH1 3.75Å; E103-R239 PolarHBondContact OE2-NH1 3.4Å; E103-R239 IonicContact OE2-NH2 3.73Å; E103-R239 PolarHBondContact OE2-NH2 2.98Å; Q198-R239 PolarHBondContact OE1-O 2.97Å; R239-V241 PolarHBondContact O-N 3.46Å; R239-I244 HydrophobicContact CG-CD1 4.09Å; R239-L261 HydrophobicContact CB-CD2 4.17Å; R239-L261 PolarHBondContact N-O 3.47Å
240	C	97.8	Very high	97.7	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.068	16%	0.157	C	C	.	.			trans	-56.3	111.6	-178.5	-177.9	0	0	0	0	110.2	L242 S243	C240-L242 PolarHBondContact O-N 3.31Å; C240-S243 WeakPolarHBondContact O-CB 3.38Å; C240-S243 PolarHBondContact O-N 3.47Å
241	V	97.9	Very high	97.7	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-65.7	-16.1	-172.7	-66.1	0	0	0	0	113.7	L175 F194 Q198 R239 S243 Y246	L175-V241 HydrophobicContact CD1-CG2 4.32Å; L175-V241 HydrophobicContact CD2-CB 3.94Å; L175-V241 HydrophobicContact CD2-CG1 4.05Å; L175-V241 HydrophobicContact CD2-CG2 4.06Å; F194-V241 HydrophobicContact CE1-CG1 3.87Å; F194-V241 HydrophobicContact CE1-CG2 4.43Å; F194-V241 HydrophobicContact CZ-CG1 3.78Å; Q198-V241 HydrophobicContact CB-CG2 4.29Å; Q198-V241 HydrophobicContact CG-CG1 4.32Å; Q198-V241 HydrophobicContact CG-CG2 4.16Å; R239-V241 PolarHBondContact O-N 3.46Å; V241-S243 VanDerWaalsContact C-N 3.34Å; V241-Y246 VanDerWaalsContact O-CE2 3.23Å; V241-Y246 WeakPolarHBondContact O-CE2 3.35Å; V241-Y246 PolarHBondContact O-OH 2.84Å
242	L	98.5	Very high	97.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-81	-15.1	172.9	-53	-170.7	0	0	0	112.6	L94 M98 I164 R167 V171 C240 I244	L94-L242 HydrophobicContact CD1-CD1 3.94Å; L94-L242 HydrophobicContact CD2-CD1 3.99Å; L94-L242 HydrophobicContact CG-CD1 4.45Å; M98-L242 HydrophobicContact CE-CB 4.23Å; M98-L242 VanDerWaalsContact CE-O 3.32Å; M98-L242 WeakPolarHBondContact CE-O 3.09Å; M98-L242 HydrophobicContact CG-CB 4.39Å; M98-L242 HydrophobicContact SD-CB 3.74Å; M98-L242 HydrophobicContact SD-CD1 4.43Å; I164-L242 HydrophobicContact CG2-CD1 3.97Å; R167-L242 WeakPolarHBondContact CD-O 3.4Å; R167-L242 PolarHBondContact NE-O 3.48Å; V171-L242 HydrophobicContact CG2-CD2 3.6Å; C240-L242 PolarHBondContact O-N 3.31Å; L242-I244 VanDerWaalsContact C-N 3.33Å
243	S	98.4	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-91	10.4	-178.3	-53.8	0	0	0	0	113.5	M98 E103 I107 C240 V241	M98-S243 WeakPolarHBondContact CG-OG 3.45Å; E103-S243 WeakPolarHBondContact CB-O 3.47Å; E103-S243 VanDerWaalsContact CG-O 3.29Å; E103-S243 WeakPolarHBondContact CG-O 3.47Å; I107-S243 WeakPolarHBondContact CD1-O 3.28Å; C240-S243 WeakPolarHBondContact O-CB 3.38Å; C240-S243 PolarHBondContact O-N 3.47Å; V241-S243 VanDerWaalsContact C-N 3.34Å
244	I	98.1	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-107.3	129.4	-174.2	-48.5	-54.2	0	0	0	110.2	R167 R239 L242 Y246 L257 L261	R167-I244 PolarHBondContact NH2-O 3.26Å; R239-I244 HydrophobicContact CG-CD1 4.09Å; L242-I244 VanDerWaalsContact C-N 3.33Å; I244-Y246 VanDerWaalsContact C-N 3.32Å; I244-Y246 HydrophobicContact CB-CD2 4.44Å; I244-Y246 HydrophobicContact CB-CE1 4.29Å; I244-Y246 HydrophobicContact CB-CE2 3.98Å; I244-Y246 HydrophobicContact CG2-CD1 4.28Å; I244-Y246 HydrophobicContact CG2-CE1 4.09Å; I244-Y246 WeakPolarHBondContact O-CD2 3.48Å; I244-Y246 PolarHBondContact O-N 3.27Å; I244-L257 HydrophobicContact CG2-CD1 4.5Å; I244-L261 HydrophobicContact CD1-CD2 3.33Å; I244-L261 HydrophobicContact CG1-CD1 4.45Å; I244-L261 HydrophobicContact CG1-CD2 3.6Å; I244-L261 HydrophobicContact CG2-CD2 4.49Å
245	F	97.8	Very high	97.7	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.022	19%	0.188	C	C	.	.			trans	-78.8	76.6	171.7	-80.4	-73	0	0	0	111	E103 T106 I107 P112 E247 R248 R249	E103-F245 HydrophobicContact CG-CD2 3.32Å; E103-F245 HydrophobicContact CG-CE2 3.8Å; E103-F245 HydrophobicContact CG-CG 4.34Å; E103-F245 WeakPolarHBondContact OE1-CB 3.48Å; E103-F245 PolarHBondContact OE1-N 2.94Å; T106-F245 HydrophobicContact CG2-CE2 3.96Å; T106-F245 HydrophobicContact CG2-CZ 3.75Å; I107-F245 HydrophobicContact CB-CZ 4.35Å; I107-F245 HydrophobicContact CD1-CD1 4.35Å; I107-F245 HydrophobicContact CD1-CD2 4.22Å; I107-F245 HydrophobicContact CD1-CE2 4.35Å; I107-F245 HydrophobicContact CD1-CG 4.2Å; I107-F245 HydrophobicContact CD1-CZ 4.5Å; I107-F245 HydrophobicContact CG1-CD1 3.78Å; I107-F245 HydrophobicContact CG1-CD2 3.97Å; I107-F245 HydrophobicContact CG1-CE1 3.51Å; I107-F245 HydrophobicContact CG1-CE2 3.67Å; I107-F245 HydrophobicContact CG1-CG 4Å; I107-F245 HydrophobicContact CG1-CZ 3.43Å; I107-F245 VanDerWaalsContact CG1-CZ 3.43Å; P112-F245 HydrophobicContact CG-CD1 4.01Å; P112-F245 HydrophobicContact CG-CE1 3.77Å; F245-E247 WeakPolarHBondContact CA-OE2 3.33Å; F245-E247 PolarHBondContact O-N 2.81Å; F245-R248 HydrophobicContact CB-CB 4.18Å; F245-R248 HydrophobicContact CB-CG 4.03Å; F245-R248 HydrophobicContact CG-CG 4.44Å; F245-R248 PolarHBondContact O-N 3.19Å; F245-R248 VanDerWaalsContact O-N 3.14Å; F245-R249 VanDerWaalsContact O-CD 3.27Å; F245-R249 WeakPolarHBondContact O-CD 3.39Å; F245-R249 VanDerWaalsContact O-CG 3.29Å; F245-R249 WeakPolarHBondContact O-CG 3.36Å
246	Y	98.2	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.6	-36	171.8	-62.4	-72.1	0	0	0	112.2	F132 V171 L174 V241 I244 R248 R249	F132-Y246 AromaticContact CE1-CD1 3.56Å; F132-Y246 HydrophobicContact CE1-CD1 3.56Å; F132-Y246 HydrophobicContact CE1-CE1 4.49Å; F132-Y246 HydrophobicContact CE1-CG 4.21Å; F132-Y246 AromaticContact CZ-CD1 3.57Å; F132-Y246 HydrophobicContact CZ-CD1 3.57Å; F132-Y246 HydrophobicContact CZ-CE1 4.11Å; F132-Y246 HydrophobicContact CZ-CG 4.43Å; V171-Y246 HydrophobicContact CB-CE2 4.15Å; V171-Y246 HydrophobicContact CG1-CD2 3.85Å; V171-Y246 HydrophobicContact CG1-CE2 3.73Å; L174-Y246 HydrophobicContact CD1-CD1 4.19Å; L174-Y246 HydrophobicContact CD1-CD2 3.8Å; L174-Y246 HydrophobicContact CD1-CG 3.62Å; V241-Y246 VanDerWaalsContact O-CE2 3.23Å; V241-Y246 WeakPolarHBondContact O-CE2 3.35Å; V241-Y246 PolarHBondContact O-OH 2.84Å; I244-Y246 VanDerWaalsContact C-N 3.32Å; I244-Y246 HydrophobicContact CB-CD2 4.44Å; I244-Y246 HydrophobicContact CB-CE1 4.29Å; I244-Y246 HydrophobicContact CB-CE2 3.98Å; I244-Y246 HydrophobicContact CG2-CD1 4.28Å; I244-Y246 HydrophobicContact CG2-CE1 4.09Å; I244-Y246 WeakPolarHBondContact O-CD2 3.48Å; I244-Y246 PolarHBondContact O-N 3.27Å; Y246-R248 PolarHBondContact O-N 3.45Å; Y246-R249 PolarHBondContact O-N 3.27Å
247	E	97.3	Very high	97.8	Very high	37 Å²	37	38.5 Å²	38.5	17%	0.173	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-59.2	-18.9	-179	-55	88	161.1	0	0	113.2	P112 I114 R167 F245 W250	P112-E247 HydrophobicContact CB-CG 4.1Å; P112-E247 WeakPolarHBondContact CB-OE1 3.48Å; I114-E247 HydrophobicContact CG1-CG 3.86Å; R167-E247 IonicContact CZ-OE1 3.34Å; R167-E247 IonicContact NH1-OE1 3.76Å; R167-E247 PolarHBondContact NH1-OE1 2.98Å; R167-E247 IonicContact NH2-OE1 2.65Å; R167-E247 PolarHBondContact NH2-OE1 3.47Å; R167-E247 IonicContact NH2-OE2 3.67Å; R167-E247 PolarHBondContact NH2-OE2 2.95Å; F245-E247 WeakPolarHBondContact CA-OE2 3.33Å; F245-E247 PolarHBondContact O-N 2.81Å; E247-W250 PolarHBondContact O-NE1 2.91Å; E247-W250 VanDerWaalsContact O-NE1 3.11Å
248	R	97.1	Very high	97.8	Very high	143 Å²	143	33.3 Å²	33.3	54%	0.54	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-108.9	3.8	-179.2	-58.8	178.8	-177.7	-179.1	-2.2	113.4	E110 F245 Y246	E110-R248 IonicContact OE1-CZ 3.81Å; E110-R248 IonicContact OE1-NH2 3.8Å; E110-R248 PolarHBondContact OE1-NH2 2.93Å; E110-R248 IonicContact OE2-CZ 2.92Å; E110-R248 IonicContact OE2-NH2 2.67Å; E110-R248 PolarHBondContact OE2-NH2 2.98Å; F245-R248 HydrophobicContact CB-CB 4.18Å; F245-R248 HydrophobicContact CB-CG 4.03Å; F245-R248 HydrophobicContact CG-CG 4.44Å; F245-R248 PolarHBondContact O-N 3.19Å; F245-R248 VanDerWaalsContact O-N 3.14Å; Y246-R248 PolarHBondContact O-N 3.45Å
249	R	97.6	Very high	97.8	Very high	38 Å²	38	41.1 Å²	41.1	14%	0.143	18%	0.18	C	C	.	.			trans	-128.2	20	-165.4	-66.2	170.7	177.6	-117	12.9	113.3	E103 F245 Y246 E251 Q252 E260	E103-R249 IonicContact OE1-CZ 3.72Å; E103-R249 IonicContact OE1-NE 3.66Å; E103-R249 IonicContact OE1-NH2 3.46Å; E103-R249 PolarHBondContact OE1-NH2 2.81Å; E103-R249 IonicContact OE2-NH2 2.78Å; E103-R249 PolarHBondContact OE2-NH2 3.08Å; E103-R249 VanDerWaalsContact OE2-NH2 3.15Å; F245-R249 VanDerWaalsContact O-CD 3.27Å; F245-R249 WeakPolarHBondContact O-CD 3.39Å; F245-R249 VanDerWaalsContact O-CG 3.29Å; F245-R249 WeakPolarHBondContact O-CG 3.36Å; Y246-R249 PolarHBondContact O-N 3.27Å; R249-E251 VanDerWaalsContact C-N 3.26Å; R249-E251 PolarHBondContact O-N 3.42Å; R249-Q252 HydrophobicContact CB-CB 4.26Å; R249-Q252 VanDerWaalsContact NH1-OE1 3.15Å; R249-Q252 VanDerWaalsContact O-CB 3.28Å; R249-Q252 WeakPolarHBondContact O-CB 3.48Å; R249-Q252 PolarHBondContact O-N 3.19Å; R249-Q252 VanDerWaalsContact O-N 3.08Å; R249-E260 IonicContact CZ-OE1 3.94Å; R249-E260 VanDerWaalsContact CZ-OE1 3.29Å; R249-E260 IonicContact CZ-OE2 3.92Å; R249-E260 IonicContact NH1-OE1 3.9Å; R249-E260 PolarHBondContact NH1-OE1 2.87Å; R249-E260 IonicContact NH1-OE2 3.7Å; R249-E260 PolarHBondContact NH1-OE2 2.83Å; R249-E260 IonicContact NH2-OE1 3.32Å; R249-E260 PolarHBondContact NH2-OE1 2.89Å
250	W	98.1	Very high	97.9	Very high	26 Å²	26	42 Å²	42	10%	0.098	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.7	-177.3	-57.7	123.4	0	0	0	112.8	L119 M124 L127 F132 G133 Y136 L174 E247 Q252	L119-W250 HydrophobicContact CD2-CH2 3.98Å; L119-W250 HydrophobicContact CD2-CZ2 3.38Å; M124-W250 HydrophobicContact CE-CD2 4.4Å; M124-W250 HydrophobicContact CE-CE3 4.1Å; M124-W250 HydrophobicContact CE-CZ3 4.34Å; L127-W250 HydrophobicContact CD1-CB 4.02Å; L127-W250 WeakPolarHBondContact CD1-O 3.3Å; F132-W250 AromaticContact CD1-CE3 3.72Å; F132-W250 HydrophobicContact CD1-CE3 3.72Å; F132-W250 AromaticContact CD1-CZ3 3.84Å; F132-W250 HydrophobicContact CD1-CZ3 3.84Å; F132-W250 AromaticContact CE1-CE3 3.91Å; F132-W250 HydrophobicContact CE1-CE3 3.91Å; F132-W250 HydrophobicContact CE1-CH2 4.45Å; F132-W250 AromaticContact CE1-CZ3 3.52Å; F132-W250 HydrophobicContact CE1-CZ3 3.52Å; F132-W250 HydrophobicContact CZ-CZ3 4.47Å; F132-W250 PolarHBondContact N-O 3.08Å; G133-W250 PolarHBondContact N-O 3.03Å; Y136-W250 HydrophobicContact CD1-CH2 4.19Å; Y136-W250 AromaticContact CD1-CZ3 3.86Å; Y136-W250 HydrophobicContact CD1-CZ3 3.86Å; Y136-W250 HydrophobicContact CE1-CH2 4.38Å; Y136-W250 HydrophobicContact CE1-CZ3 4.49Å; L174-W250 HydrophobicContact CD1-CH2 4.39Å; L174-W250 HydrophobicContact CD2-CH2 3.97Å; L174-W250 HydrophobicContact CD2-CZ3 3.81Å; E247-W250 PolarHBondContact O-NE1 2.91Å; E247-W250 VanDerWaalsContact O-NE1 3.11Å; W250-Q252 VanDerWaalsContact C-N 3.32Å
251	E	98.4	Very high	97.8	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.8	178.3	-62.9	82.9	170.6	0	0	113.3	K123 L127 R249	K123-E251 WeakPolarHBondContact CE-OE1 3.12Å; K123-E251 IonicContact NZ-OE1 2.75Å; K123-E251 PolarHBondContact NZ-OE1 3.44Å; L127-E251 HydrophobicContact CD2-CG 3.75Å; R249-E251 VanDerWaalsContact C-N 3.26Å; R249-E251 PolarHBondContact O-N 3.42Å
252	Q	98.5	Very high	97.8	Very high	44 Å²	44	45 Å²	45	21%	0.206	20%	0.202	C	C	.	.	S	Bend	trans	-62.8	138.9	-177.6	-169.1	174.7	8.3	0	0	109.8	S131 F132 R249 W250 L254 D256 L257 E260	S131-Q252 CarbonylContact C-O 3.59Å; S131-Q252 WeakPolarHBondContact CA-O 3.5Å; F132-Q252 WeakPolarHBondContact CB-O 3.42Å; F132-Q252 PolarHBondContact N-O 2.88Å; R249-Q252 HydrophobicContact CB-CB 4.26Å; R249-Q252 VanDerWaalsContact NH1-OE1 3.15Å; R249-Q252 VanDerWaalsContact O-CB 3.28Å; R249-Q252 WeakPolarHBondContact O-CB 3.48Å; R249-Q252 PolarHBondContact O-N 3.19Å; R249-Q252 VanDerWaalsContact O-N 3.08Å; W250-Q252 VanDerWaalsContact C-N 3.32Å; Q252-L254 PolarHBondContact O-N 3.41Å; Q252-D256 HydrophobicContact CG-CB 4.37Å; Q252-L257 HydrophobicContact CG-CB 4.37Å; Q252-E260 PolarHBondContact NE2-OE2 3.36Å
253	S	98.4	Very high	97.7	Very high	41 Å²	41	45.2 Å²	45.2	29%	0.287	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-57.1	133.9	170.3	156.1	0	0	0	0	110.1	E255 D256 L257	S253-E255 PolarHBondContact O-N 2.99Å; S253-E255 PolarHBondContact OG-N 3.43Å; S253-D256 VanDerWaalsContact CB-CG 3.45Å; S253-D256 PolarHBondContact O-N 2.65Å; S253-D256 VanDerWaalsContact O-N 3.12Å; S253-D256 PolarHBondContact OG-N 3.08Å; S253-D256 PolarHBondContact OG-OD1 3.32Å; S253-D256 VanDerWaalsContact OG-OD1 3.11Å; S253-L257 PolarHBondContact O-N 2.8Å
254	L	97.7	Very high	97.6	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-39.1	176.2	172.8	60.8	0	0	0	111.3	G130 F132 E135 L178 Q252 D256 L257 R258	G130-L254 VanDerWaalsContact O-CB 3.32Å; G130-L254 WeakPolarHBondContact O-CB 3.28Å; G130-L254 PolarHBondContact O-N 3.42Å; F132-L254 HydrophobicContact CD2-CD1 3.98Å; E135-L254 HydrophobicContact CB-CD2 4.31Å; E135-L254 HydrophobicContact CG-CD2 4.04Å; L178-L254 HydrophobicContact CD1-CD1 4Å; Q252-L254 PolarHBondContact O-N 3.41Å; L254-D256 VanDerWaalsContact C-N 3.34Å; L254-L257 PolarHBondContact O-N 2.85Å; L254-R258 WeakPolarHBondContact O-CB 3.33Å; L254-R258 WeakPolarHBondContact O-CG 3.43Å; L254-R258 PolarHBondContact O-N 3.37Å
255	E	97.3	Very high	97.3	Very high	86 Å²	86	52.9 Å²	52.9	40%	0.402	25%	0.247	S	C	.	.	H	α-helix	trans	-68.8	-34.4	176.9	-66.3	-54.5	134.6	0	0	112.1	S253 R258 R259	S253-E255 PolarHBondContact O-N 2.99Å; S253-E255 PolarHBondContact OG-N 3.43Å; E255-R258 PolarHBondContact O-N 3.23Å; E255-R258 IonicContact OE1-CZ 3.43Å; E255-R258 IonicContact OE1-NH1 2.86Å; E255-R258 PolarHBondContact OE1-NH1 3.29Å; E255-R259 VanDerWaalsContact O-CG 3.3Å; E255-R259 WeakPolarHBondContact O-CG 3.43Å; E255-R259 PolarHBondContact O-N 2.85Å
256	D	98.1	Very high	96.9	Very high	67 Å²	67	54 Å²	54	36%	0.358	25%	0.254	S	S	.	.	H	α-helix	trans	-70.7	-42.3	177.9	-65.3	14.2	0	0	0	110.1	Q252 S253 L254 R259 E260	Q252-D256 HydrophobicContact CG-CB 4.37Å; S253-D256 VanDerWaalsContact CB-CG 3.45Å; S253-D256 PolarHBondContact O-N 2.65Å; S253-D256 VanDerWaalsContact O-N 3.12Å; S253-D256 PolarHBondContact OG-N 3.08Å; S253-D256 PolarHBondContact OG-OD1 3.32Å; S253-D256 VanDerWaalsContact OG-OD1 3.11Å; L254-D256 VanDerWaalsContact C-N 3.34Å; D256-R259 PolarHBondContact O-N 3.09Å; D256-R259 IonicContact OD1-CZ 3.36Å; D256-R259 IonicContact OD1-NE 3.65Å; D256-R259 IonicContact OD1-NH2 2.74Å; D256-R259 PolarHBondContact OD1-NH2 3.49Å; D256-R259 IonicContact OD2-NH2 3.89Å; D256-E260 WeakPolarHBondContact O-CB 3.4Å; D256-E260 PolarHBondContact O-N 3.33Å
257	L	98.1	Very high	96.4	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-43.1	174.5	-177.3	59	0	0	0	111.2	F132 L178 I244 Q252 S253 L254 R259 E260 L261	F132-L257 HydrophobicContact CB-CD2 4.33Å; F132-L257 HydrophobicContact CD1-CD2 4.04Å; F132-L257 HydrophobicContact CD2-CD2 3.78Å; F132-L257 HydrophobicContact CE1-CD2 4.26Å; F132-L257 HydrophobicContact CE2-CD2 4.01Å; F132-L257 HydrophobicContact CG-CD2 3.78Å; F132-L257 HydrophobicContact CZ-CD2 4.22Å; L178-L257 HydrophobicContact CD1-CD2 4.08Å; L178-L257 HydrophobicContact CD1-CG 4.03Å; I244-L257 HydrophobicContact CG2-CD1 4.5Å; Q252-L257 HydrophobicContact CG-CB 4.37Å; S253-L257 PolarHBondContact O-N 2.8Å; L254-L257 PolarHBondContact O-N 2.85Å; L257-R259 PolarHBondContact O-N 2.96Å; L257-E260 PolarHBondContact O-N 3.16Å; L257-L261 HydrophobicContact CD1-CD1 3.79Å; L257-L261 HydrophobicContact CD1-CG 4.04Å; L257-L261 HydrophobicContact CG-CD1 3.96Å; L257-L261 HydrophobicContact CG-CG 4.5Å; L257-L261 WeakPolarHBondContact O-CB 3.4Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 2.89Å
258	R	97.8	Very high	95.7	Very high	20 Å²	20	58.2 Å²	58.2	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-49.1	172.7	-81.8	174.7	176.4	151.9	4.8	112	T177 L178 L254 E255 L261 N262 I263	T177-R258 PolarHBondContact O-NH2 2.98Å; L178-R258 HydrophobicContact CD1-CG 3.92Å; L178-R258 VanDerWaalsContact O-CZ 3.24Å; L178-R258 PolarHBondContact O-NE 3.01Å; L178-R258 PolarHBondContact O-NH2 3.09Å; L254-R258 WeakPolarHBondContact O-CB 3.33Å; L254-R258 WeakPolarHBondContact O-CG 3.43Å; L254-R258 PolarHBondContact O-N 3.37Å; E255-R258 PolarHBondContact O-N 3.23Å; E255-R258 IonicContact OE1-CZ 3.43Å; E255-R258 IonicContact OE1-NH1 2.86Å; E255-R258 PolarHBondContact OE1-NH1 3.29Å; R258-L261 CarbonylContact O-C 3.57Å; R258-L261 PolarHBondContact O-N 2.86Å; R258-N262 PolarHBondContact O-N 2.96Å; R258-I263 HydrophobicContact CB-CB 4.48Å; R258-I263 WeakPolarHBondContact CB-O 3.3Å; R258-I263 HydrophobicContact CG-CB 4.49Å; R258-I263 HydrophobicContact CG-CG2 4.38Å; R258-I263 PolarHBondContact O-N 3.46Å
259	R	97.5	Very high	94.7	Very high	171 Å²	171	58.5 Å²	58.5	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-61.5	-45.2	178.7	-73.7	-176.5	-63.8	135.6	-8.9	112.2	E255 D256 L257 L261 N262	E255-R259 VanDerWaalsContact O-CG 3.3Å; E255-R259 WeakPolarHBondContact O-CG 3.43Å; E255-R259 PolarHBondContact O-N 2.85Å; D256-R259 PolarHBondContact O-N 3.09Å; D256-R259 IonicContact OD1-CZ 3.36Å; D256-R259 IonicContact OD1-NE 3.65Å; D256-R259 IonicContact OD1-NH2 2.74Å; D256-R259 PolarHBondContact OD1-NH2 3.49Å; D256-R259 IonicContact OD2-NH2 3.89Å; L257-R259 PolarHBondContact O-N 2.96Å; R259-L261 VanDerWaalsContact C-N 3.29Å; R259-L261 PolarHBondContact O-N 2.88Å; R259-N262 PolarHBondContact O-N 3.05Å; R259-N262 VanDerWaalsContact O-N 3.14Å
260	E	97.1	Very high	93.7	Very high	86 Å²	86	58.9 Å²	58.9	40%	0.402	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-40.8	177	-174.3	-172.5	148.6	0	0	111.8	R249 Q252 D256 L257 N262	R249-E260 IonicContact CZ-OE1 3.94Å; R249-E260 VanDerWaalsContact CZ-OE1 3.29Å; R249-E260 IonicContact CZ-OE2 3.92Å; R249-E260 IonicContact NH1-OE1 3.9Å; R249-E260 PolarHBondContact NH1-OE1 2.87Å; R249-E260 IonicContact NH1-OE2 3.7Å; R249-E260 PolarHBondContact NH1-OE2 2.83Å; R249-E260 IonicContact NH2-OE1 3.32Å; R249-E260 PolarHBondContact NH2-OE1 2.89Å; Q252-E260 PolarHBondContact NE2-OE2 3.36Å; D256-E260 WeakPolarHBondContact O-CB 3.4Å; D256-E260 PolarHBondContact O-N 3.33Å; L257-E260 PolarHBondContact O-N 3.16Å; E260-N262 PolarHBondContact O-N 3.43Å
261	L	96.8	Very high	92.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.9	179.7	-61.8	179.4	0	0	0	113.5	L178 A238 R239 I244 L257 R258 R259 I263	L178-L261 HydrophobicContact CD1-CD1 4.33Å; L178-L261 HydrophobicContact CD2-CD1 3.7Å; A238-L261 WeakPolarHBondContact CA-O 3.4Å; A238-L261 VanDerWaalsContact CB-O 3.25Å; A238-L261 WeakPolarHBondContact CB-O 3.41Å; R239-L261 HydrophobicContact CB-CD2 4.17Å; R239-L261 PolarHBondContact N-O 3.47Å; I244-L261 HydrophobicContact CD1-CD2 3.33Å; I244-L261 HydrophobicContact CG1-CD1 4.45Å; I244-L261 HydrophobicContact CG1-CD2 3.6Å; I244-L261 HydrophobicContact CG2-CD2 4.49Å; L257-L261 HydrophobicContact CD1-CD1 3.79Å; L257-L261 HydrophobicContact CD1-CG 4.04Å; L257-L261 HydrophobicContact CG-CD1 3.96Å; L257-L261 HydrophobicContact CG-CG 4.5Å; L257-L261 WeakPolarHBondContact O-CB 3.4Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 2.89Å; R258-L261 CarbonylContact O-C 3.57Å; R258-L261 PolarHBondContact O-N 2.86Å; R259-L261 VanDerWaalsContact C-N 3.29Å; R259-L261 PolarHBondContact O-N 2.88Å; L261-I263 VanDerWaalsContact C-N 3.29Å; L261-I263 HydrophobicContact CB-CD1 3.85Å; L261-I263 HydrophobicContact CB-CG1 4.06Å; L261-I263 HydrophobicContact CD1-CD1 4.29Å; L261-I263 PolarHBondContact O-N 3.45Å
262	N	96.6	Very high	90.1	Very high	75 Å²	75	60.5 Å²	60.5	40%	0.401	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	44	-175.5	-165.8	29.8	0	0	0	112.3	R237 R258 R259 E260	R237-N262 PolarHBondContact O-ND2 3.27Å; R258-N262 PolarHBondContact O-N 2.96Å; R259-N262 PolarHBondContact O-N 3.05Å; R259-N262 VanDerWaalsContact O-N 3.14Å; E260-N262 PolarHBondContact O-N 3.43Å
263	I	97.1	Very high	87.7	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.036	34%	0.344	C	S	.	.			trans	-108	115.2	175.7	-63.4	171.3	0	0	0	108.4	L178 L179 F194 N234 A238 R258 L261	L178-I263 HydrophobicContact CD2-CD1 3.48Å; L178-I263 VanDerWaalsContact CD2-CD1 3.48Å; L178-I263 HydrophobicContact CG-CD1 3.89Å; L179-I263 HydrophobicContact CD2-CG2 3.95Å; F194-I263 HydrophobicContact CE2-CD1 4.34Å; F194-I263 HydrophobicContact CE2-CG1 4.45Å; F194-I263 HydrophobicContact CZ-CD1 4.09Å; N234-I263 VanDerWaalsContact OD1-CA 3.27Å; N234-I263 WeakPolarHBondContact OD1-CA 3.43Å; A238-I263 HydrophobicContact CB-CD1 4.23Å; A238-I263 HydrophobicContact CB-CG1 3.73Å; R258-I263 HydrophobicContact CB-CB 4.48Å; R258-I263 WeakPolarHBondContact CB-O 3.3Å; R258-I263 HydrophobicContact CG-CB 4.49Å; R258-I263 HydrophobicContact CG-CG2 4.38Å; R258-I263 PolarHBondContact O-N 3.46Å; L261-I263 VanDerWaalsContact C-N 3.29Å; L261-I263 HydrophobicContact CB-CD1 3.85Å; L261-I263 HydrophobicContact CB-CG1 4.06Å; L261-I263 HydrophobicContact CD1-CD1 4.29Å; L261-I263 PolarHBondContact O-N 3.45Å
264	E	95.6	Very high	84.8	Confident	83 Å²	83	67 Å²	67	39%	0.388	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-76	144.8	172.5	-65.7	175	-165.8	0	0	110.3	W230 N234 R237	W230-E264 VanDerWaalsContact CZ2-O 3.3Å; W230-E264 WeakPolarHBondContact CZ2-O 3.4Å; W230-E264 PolarHBondContact NE1-O 3.05Å; W230-E264 VanDerWaalsContact NE1-O 3.08Å; N234-E264 PolarHBondContact OD1-N 2.86Å; R237-E264 IonicContact NH1-OE1 3.29Å; R237-E264 PolarHBondContact NH1-OE1 3.24Å
265	P	91.5	Very high	82.2	Confident	78 Å²	78	75 Å²	75	51%	0.506	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-61.3	153.6	178.4	26.5	-34.8	0	0	0	111.6	W230	W230-P265 PolarHBondContact NE1-O 2.65Å
266	P	90.2	Very high	79.4	Confident	29 Å²	29	81.9 Å²	81.9	19%	0.188	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-64.9	141.2	-178.1	27.6	-35.2	0	0	0	111.7	L179 M181 W230 L268	L179-P266 WeakPolarHBondContact O-CG 3.46Å; M181-P266 HydrophobicContact CE-CB 3.46Å; M181-P266 VanDerWaalsContact CE-CB 3.46Å; M181-P266 HydrophobicContact CE-CG 4.04Å; W230-P266 HydrophobicContact CH2-CB 3.86Å; W230-P266 VanDerWaalsContact CZ2-CA 3.5Å; W230-P266 HydrophobicContact CZ2-CB 3.8Å; W230-P266 HydrophobicContact CZ3-CB 4.35Å; P266-L268 PolarHBondContact O-N 2.95Å
267	P	86.9	Confident	76.1	Confident	63 Å²	63	90.4 Å²	90.4	41%	0.409	45%	0.453	S	S	.	.	S	Bend	trans	-70.3	-12.7	-178.1	29.3	-37	0	0	0	113.1	S226 L227 W230	S226-P267 WeakPolarHBondContact OG-CB 3.34Å; S226-P267 WeakPolarHBondContact OG-CG 3.41Å; L227-P267 HydrophobicContact CD2-CG 4.2Å; W230-P267 HydrophobicContact CB-CG 4.09Å; W230-P267 VanDerWaalsContact CG-CD 3.47Å; W230-P267 HydrophobicContact CG-CG 4.11Å
268	L	82.6	Confident	73	Confident	62 Å²	62	100.6 Å²	100.6	33%	0.325	52%	0.516	S	S	.	.	S	Bend	trans	-133.2	128.6	179.5	-61	174.6	0	0	0	109.5	L227 P266 L270	L227-L268 HydrophobicContact CD1-CD1 4.17Å; L227-L268 HydrophobicContact CD2-CB 4.38Å; L227-L268 HydrophobicContact CG-CD1 4.08Å; P266-L268 PolarHBondContact O-N 2.95Å; L268-L270 HydrophobicContact CB-CD2 4.34Å; L268-L270 PolarHBondContact O-N 3.39Å
269	T	77.4	Confident	71.7	Confident	148 Å²	148	104.6 Å²	104.6	91%	0.908	54%	0.538	S	S	*	.			trans	-76.1	103.6	165.7	39.6	0	0	0	0	109.3
270	L	76.3	Confident	70.4	Confident	46 Å²	46	101.1 Å²	101.1	24%	0.241	53%	0.532	C	S	.	.			trans	-92.4	121.4	174.6	-60.8	179.3	0	0	0	109.3	M181 P182 L186 L227 L268	M181-L270 HydrophobicContact CE-CD1 4.25Å; M181-L270 HydrophobicContact SD-CD1 3.91Å; P182-L270 HydrophobicContact CG-CB 3.86Å; P182-L270 HydrophobicContact CG-CD1 4.41Å; L186-L270 HydrophobicContact CD2-CD1 4.1Å; L186-L270 HydrophobicContact CD2-CD2 4.1Å; L186-L270 HydrophobicContact CG-CD1 4.28Å; L227-L270 HydrophobicContact CD1-CD1 3.85Å; L268-L270 HydrophobicContact CB-CD2 4.34Å; L268-L270 PolarHBondContact O-N 3.39Å
271	S	63.3	Low	68.9	Low	94 Å²	94	101.9 Å²	101.9	66%	0.657	54%	0.54	S	S	*	.			trans	-83.7	149.7	168.5	64.2	0	0	0	0	110.8	S273	S271-S273 VanDerWaalsContact C-N 3.26Å; S271-S273 PolarHBondContact O-N 2.89Å
272	A	57	Low	67.2	Low	55 Å²	55	107.9 Å²	107.9	46%	0.455	57%	0.571	S	S	.	*			trans	-63.9	90.8	164.9	0	0	0	0	0	108.2	P182 N274	P182-A272 HydrophobicContact CB-CB 4.45Å; A272-N274 PolarHBondContact O-N 3.23Å; A272-N274 VanDerWaalsContact O-N 3.08Å
273	S	47.9	Very low	65.4	Low	65 Å²	65	109.9 Å²	109.9	46%	0.455	58%	0.582	S	S	.	*			trans	-60.2	117.5	172.8	46.6	0	0	0	0	108.8	S271 K275	S271-S273 VanDerWaalsContact C-N 3.26Å; S271-S273 PolarHBondContact O-N 2.89Å; S273-K275 PolarHBondContact O-N 2.88Å
274	N	38.2	Very low	63.3	Low	156 Å²	156	116.8 Å²	116.8	83%	0.834	62%	0.618	S	S	*	*			trans	-45.8	123	175.2	-90.1	-33.1	0	0	0	109.7	A272 R276	A272-N274 PolarHBondContact O-N 3.23Å; A272-N274 VanDerWaalsContact O-N 3.08Å; N274-R276 PolarHBondContact O-N 3.21Å
275	K	42.7	Very low	61	Low	182 Å²	182	119.2 Å²	119.2	79%	0.791	63%	0.634	S	S	*	*	S	Bend	trans	-57.3	91	160.1	-93.8	178.3	173.9	171.1	0	107.7	S273	S273-K275 PolarHBondContact O-N 2.88Å
276	R	38.2	Very low	58.6	Low	232 Å²	232	122.4 Å²	122.4	88%	0.875	64%	0.644	S	S	*	*			trans	152.8	119.6	150.2	-87.1	168.2	-167.1	-169.2	4.1	111.6	N274	N274-R276 PolarHBondContact O-N 3.21Å
277	R	29.8	Very low	56	Low	245 Å²	245	130.2 Å²	130.2	93%	0.925	68%	0.682	S	S	*	*			trans	148.5	97	157.3	-88.8	175.2	179.6	-166.4	0.4	103
278	T	31.7	Very low	53.2	Low	214 Å²	214	136.3 Å²	136.3	100%	1.313	71%	0.707	S	S	*	*			cis	-152.5	0	39.8	45.1	0	0	0	0	109.9

Retrieved 278 of 278 residues in 200.2 ms (Link to these results)

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