A0A096MT63_PAPAN Loading...

Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha

Essential subunit of both the farnesyltransferase and the geranylgeranyltransferase complex. Contributes to the transfer of a farnesyl or geranylgeranyl moiety from farnesyl or geranylgeranyl diphosphate to a cysteine at the fourth position from the C-terminus of several proteins having the C-terminal sequence Cys-aliphatic-aliphatic-X. May positively regulate neuromuscular junction development downstream of MUSK via its function in RAC1 prenylation and activation.

AlphaFold DB , UniProt , Accession A0A096MT63, Species PAPAN (Papio anubis, Olive baboon), Gene FNTA, Length 379 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	33.9	Very low	244 Å²	244	130.4 Å²	130.4	100%	1.202	85%	0.851	S	S	*	*				0	128.5	0	-90.4	-164.6	-102	0	0	107.8
2	A	33.8	Very low	33.8	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	86%	0.859	S	S	*	*			trans	64.8	115.4	174.7	0	0	0	0	0	116.4
3	A	36.1	Very low	33.8	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	85%	0.854	S	S	*	*				66.6	132.8	67.3	0	0	0	0	0	110.6
4	T	34.5	Very low	33.6	Very low	124 Å²	124	128.2 Å²	128.2	76%	0.761	85%	0.853	S	S	*	*			cis	-177.1	156.5	21.4	8.8	0	0	0	0	108.3
5	E	37	Very low	34	Very low	191 Å²	191	132.4 Å²	132.4	89%	0.893	86%	0.856	S	S	*	*			trans	16.7	144.6	149.4	-60.9	176.8	158.6	0	0	123.1
6	G	32.6	Very low	34.6	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	86%	0.855	S	S	*	*			trans	170.8	85.9	156.2	0	0	0	0	0	117.6
7	V	35.6	Very low	34.8	Very low	154 Å²	154	128.6 Å²	128.6	93%	0.933	85%	0.848	S	S	*	*			trans	-18.3	147.2	158.6	-174.5	0	0	0	0	119.7
8	G	32.3	Very low	35.3	Very low	75 Å²	75	131.8 Å²	131.8	77%	0.773	85%	0.849	S	S	*	*			trans	170.3	108.1	151.6	0	0	0	0	0	116.2
9	E	32.4	Very low	35.8	Very low	196 Å²	196	131.5 Å²	131.5	92%	0.916	85%	0.847	S	S	*	*			trans	-64.5	149.3	174	-67.2	171.8	129	0	0	114.2
10	A	31.9	Very low	36.2	Very low	98 Å²	98	134.5 Å²	134.5	81%	0.81	85%	0.85	S	S	*	*				165.2	147.3	114.9	0	0	0	0	0	114.2
11	A	34	Very low	36.8	Very low	90 Å²	90	136.8 Å²	136.8	74%	0.744	85%	0.85	S	S	*	*			trans	87.2	95	149.5	0	0	0	0	0	120.6
12	Q	32.7	Very low	37.9	Very low	202 Å²	202	130.6 Å²	130.6	94%	0.944	83%	0.828	S	S	*	*				42.7	111.3	119.2	-67.6	179.2	-5.7	0	0	119.3
13	G	33.7	Very low	38.8	Very low	78 Å²	78	131.3 Å²	131.3	80%	0.804	83%	0.825	S	S	*	*			trans	-161.8	98.9	155	0	0	0	0	0	108.7
14	G	31	Very low	39.3	Very low	81 Å²	81	133.1 Å²	133.1	84%	0.835	83%	0.829	S	S	*	*			trans	-78.6	132.8	179.3	0	0	0	0	0	112
15	E	39.3	Very low	40.3	Very low	191 Å²	191	135.5 Å²	135.5	89%	0.893	83%	0.832	S	S	*	*			trans	-108.4	131.3	155.7	-78.4	-172.6	137	0	0	108.2	G17	E15-G17 PolarHBondContact O-N 3.47Å
16	P	43.9	Very low	40.9	Very low	129 Å²	129	132.4 Å²	132.4	84%	0.838	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73.5	127.2	176.4	27.1	-28.8	0	0	0	110.5
17	G	38.4	Very low	41.7	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-59.5	145	177.1	0	0	0	0	0	113.5	E15	E15-G17 PolarHBondContact O-N 3.47Å
18	Q	44	Very low	42.4	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-60.3	139	164.6	-66.8	176.4	-15.4	0	0	109.4	E20	Q18-E20 PolarHBondContact O-N 3.32Å
19	P	44.6	Very low	43	Very low	125 Å²	125	133.5 Å²	133.5	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.4	123.2	173.1	25.5	-29.3	0	0	0	110.1	Q21	P19-Q21 PolarHBondContact O-N 3.43Å
20	E	42.8	Very low	43.5	Very low	192 Å²	192	127.8 Å²	127.8	90%	0.897	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-54.8	130.2	167.7	-75.2	179.1	145.2	0	0	110	Q18	Q18-E20 PolarHBondContact O-N 3.32Å
21	Q	49.5	Very low	44.1	Very low	182 Å²	182	128.2 Å²	128.2	85%	0.85	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-69.8	138.4	171.5	-72.6	-171.2	-19.6	0	0	109.9	P19	P19-Q21 PolarHBondContact O-N 3.43Å
22	P	55.2	Low	44.6	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-66.2	152.9	174	28.1	-31.8	0	0	0	110.5
23	P	53.3	Low	44.9	Very low	112 Å²	112	126.7 Å²	126.7	73%	0.727	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.7	149.3	179.2	26.5	-33.2	0	0	0	110.5	Q25	P23-Q25 PolarHBondContact O-N 3.04Å
24	P	46.8	Very low	45.2	Very low	124 Å²	124	128.1 Å²	128.1	81%	0.805	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-61.1	128.8	-177.3	23.9	-31.2	0	0	0	110.2
25	Q	55.2	Low	45.7	Very low	174 Å²	174	130 Å²	130	81%	0.813	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-62.9	142.2	167.5	-71.9	-170.6	-14.2	0	0	109.2	P23 H27	P23-Q25 PolarHBondContact O-N 3.04Å; Q25-H27 PolarHBondContact O-N 3.45Å
26	P	49.7	Very low	45.7	Very low	125 Å²	125	127.1 Å²	127.1	81%	0.812	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60	131	176	24.1	-30.7	0	0	0	109.6
27	H	50	Low	45.4	Very low	172 Å²	172	128 Å²	128	80%	0.796	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58.3	142	174.4	-71.9	-81.1	0	0	0	110.2	Q25	Q25-H27 PolarHBondContact O-N 3.45Å
28	P	49.8	Very low	45.4	Very low	104 Å²	104	130.2 Å²	130.2	68%	0.675	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-60.8	146	168.3	26.7	-31	0	0	0	109
29	P	44.5	Very low	45.1	Very low	57 Å²	57	127.2 Å²	127.2	37%	0.37	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-61.7	154.5	-179.6	26.3	-32.4	0	0	0	110.7	Q33 Q34	P29-Q33 HydrophobicContact CB-CB 4.08Å; P29-Q34 HydrophobicContact CG-CG 4.21Å
30	P	44.2	Very low	44.7	Very low	75 Å²	75	124.5 Å²	124.5	49%	0.487	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-60	153.9	178.6	24.2	-31.8	0	0	0	111.1	Q32 Q33	P30-Q32 PolarHBondContact O-N 3.44Å; P30-Q33 PolarHBondContact O-N 3.44Å
31	P	44	Very low	44.2	Very low	108 Å²	108	118.9 Å²	118.9	70%	0.701	65%	0.652	S	S	*	*	H	α-helix	trans	-55.3	-17.1	-172.5	-24.3	31.7	0	0	0	115.6
32	Q	44.6	Very low	43.4	Very low	155 Å²	155	117.4 Å²	117.4	72%	0.724	65%	0.645	S	S	*	*	H	α-helix	trans	-75.5	-30	178	-74.1	173	-31.5	0	0	113.4	P30 E36	P30-Q32 PolarHBondContact O-N 3.44Å; Q32-E36 WeakPolarHBondContact O-CG 3.4Å; Q32-E36 PolarHBondContact O-N 3.08Å
33	Q	39.2	Very low	42.5	Very low	105 Å²	105	115.9 Å²	115.9	49%	0.491	64%	0.642	S	S	.	*	H	α-helix	trans	-82	-28.6	-179.8	-83.7	-179.2	-25	0	0	113.1	P29 P30 E37	P29-Q33 HydrophobicContact CB-CB 4.08Å; P30-Q33 PolarHBondContact O-N 3.44Å; Q33-E37 PolarHBondContact O-N 3.37Å; Q33-E37 VanDerWaalsContact O-N 3.09Å
34	Q	39.2	Very low	41.4	Very low	107 Å²	107	113.6 Å²	113.6	50%	0.5	64%	0.639	S	S	.	*	H	α-helix	trans	-72	-36.6	173.3	-72.8	-177.1	-21.7	0	0	111.4	P29 E38	P29-Q34 HydrophobicContact CG-CG 4.21Å; Q34-E38 WeakPolarHBondContact O-CB 3.45Å; Q34-E38 PolarHBondContact O-N 3.02Å
35	H	41.1	Very low	40.6	Very low	122 Å²	122	115.5 Å²	115.5	57%	0.565	64%	0.637	S	S	*	*	H	α-helix	trans	-69.5	-31.2	173	-102	-15.7	0	0	0	113.6	E38 M39	H35-E38 IonicContact ND1-OE2 2.82Å; H35-M39 VanDerWaalsContact O-CB 3.24Å; H35-M39 WeakPolarHBondContact O-CB 3.02Å; H35-M39 WeakPolarHBondContact O-CG 3.12Å; H35-M39 PolarHBondContact O-N 3.16Å
36	E	39.8	Very low	39.7	Very low	130 Å²	130	112 Å²	112	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-72.4	-38.2	174.2	-79	178	167	0	0	112.6	Q32 A40	Q32-E36 WeakPolarHBondContact O-CG 3.4Å; Q32-E36 PolarHBondContact O-N 3.08Å; E36-A40 WeakPolarHBondContact O-CB 3.14Å; E36-A40 PolarHBondContact O-N 3.43Å
37	E	38	Very low	38.8	Very low	148 Å²	148	112.5 Å²	112.5	69%	0.692	64%	0.638	S	S	*	*	H	α-helix	trans	-74.3	-33.4	174.9	-83.8	-175.5	156.5	0	0	112.9	Q33 A40 A41	Q33-E37 PolarHBondContact O-N 3.37Å; Q33-E37 VanDerWaalsContact O-N 3.09Å; E37-A40 PolarHBondContact O-N 3.4Å; E37-A41 VanDerWaalsContact O-CB 3.3Å; E37-A41 WeakPolarHBondContact O-CB 3.19Å; E37-A41 PolarHBondContact O-N 3.39Å
38	E	37.3	Very low	38	Very low	118 Å²	118	108.5 Å²	108.5	55%	0.551	64%	0.635	S	S	*	*	H	α-helix	trans	-73.8	-38.6	175.8	-153.7	167.6	-144.9	0	0	110.9	Q34 H35 A41 E42	Q34-E38 WeakPolarHBondContact O-CB 3.45Å; Q34-E38 PolarHBondContact O-N 3.02Å; H35-E38 IonicContact ND1-OE2 2.82Å; E38-A41 PolarHBondContact O-N 3.22Å; E38-E42 WeakPolarHBondContact O-CB 3.48Å; E38-E42 PolarHBondContact O-N 2.78Å
39	M	37.9	Very low	37.5	Very low	122 Å²	122	106.4 Å²	106.4	60%	0.601	62%	0.623	S	S	*	*	H	α-helix	trans	-67.3	-33.3	168.6	-82.1	-161.1	-75.6	0	0	113	H35 A43	H35-M39 VanDerWaalsContact O-CB 3.24Å; H35-M39 WeakPolarHBondContact O-CB 3.02Å; H35-M39 WeakPolarHBondContact O-CG 3.12Å; H35-M39 PolarHBondContact O-N 3.16Å; M39-A43 WeakPolarHBondContact O-CB 3.12Å; M39-A43 PolarHBondContact O-N 3.32Å
40	A	36.3	Very low	37.1	Very low	69 Å²	69	110 Å²	110	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-74.2	-28.7	175.7	0	0	0	0	0	112.7	E36 E37	E36-A40 WeakPolarHBondContact O-CB 3.14Å; E36-A40 PolarHBondContact O-N 3.43Å; E37-A40 PolarHBondContact O-N 3.4Å
41	A	33.6	Very low	37.2	Very low	74 Å²	74	108.3 Å²	108.3	61%	0.612	63%	0.632	S	S	*	*	H	α-helix	trans	-77.6	-33.9	173.3	0	0	0	0	0	112.2	E37 E38	E37-A41 VanDerWaalsContact O-CB 3.3Å; E37-A41 WeakPolarHBondContact O-CB 3.19Å; E37-A41 PolarHBondContact O-N 3.39Å; E38-A41 PolarHBondContact O-N 3.22Å
42	E	32.8	Very low	37.2	Very low	150 Å²	150	110.3 Å²	110.3	70%	0.701	64%	0.637	S	S	*	*	H	α-helix	trans	-77.7	-24.2	172	-76	-172.9	155.4	0	0	113.2	E38 G44	E38-E42 WeakPolarHBondContact O-CB 3.48Å; E38-E42 PolarHBondContact O-N 2.78Å; E42-G44 PolarHBondContact O-N 3.25Å
43	A	34.7	Very low	37.4	Very low	83 Å²	83	106.1 Å²	106.1	69%	0.686	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-3.2	172.2	0	0	0	0	0	114.1	M39	M39-A43 WeakPolarHBondContact O-CB 3.12Å; M39-A43 PolarHBondContact O-N 3.32Å
44	G	30.2	Very low	38.1	Very low	64 Å²	64	104.2 Å²	104.2	66%	0.66	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-9.4	178.8	0	0	0	0	0	115.1	E42	E42-G44 PolarHBondContact O-N 3.25Å
45	E	29.9	Very low	39.2	Very low	164 Å²	164	100.9 Å²	100.9	77%	0.766	61%	0.612	S	S	*	*	S	Bend	trans	-95.5	103.4	168.4	-77	-171.9	163.1	0	0	108.3	V47	E45-V47 VanDerWaalsContact C-N 3.33Å; E45-V47 PolarHBondContact O-N 3.47Å
46	A	36.4	Very low	40.7	Very low	99 Å²	99	98.3 Å²	98.3	82%	0.818	60%	0.602	S	S	*	*			trans	-52	104.4	163.5	0	0	0	0	0	107.5	A48	A46-A48 VanDerWaalsContact C-N 3.28Å; A46-A48 PolarHBondContact O-N 2.78Å
47	V	31	Very low	42.9	Very low	136 Å²	136	94.4 Å²	94.4	82%	0.824	59%	0.589	S	S	*	*			trans	-59.7	101.8	168.9	-178.5	0	0	0	0	104.7	E45 S49	E45-V47 VanDerWaalsContact C-N 3.33Å; E45-V47 PolarHBondContact O-N 3.47Å; V47-S49 PolarHBondContact O-N 3.19Å
48	A	33.8	Very low	45.3	Very low	88 Å²	88	87.7 Å²	87.7	73%	0.727	56%	0.558	S	S	*	*			trans	-56	111.7	175.5	0	0	0	0	0	106.8	A46	A46-A48 VanDerWaalsContact C-N 3.28Å; A46-A48 PolarHBondContact O-N 2.78Å
49	S	39.8	Very low	47.7	Very low	60 Å²	60	88.6 Å²	88.6	42%	0.42	57%	0.566	S	S	.	*			trans	-51.3	131.9	175.8	-158.8	0	0	0	0	107.9	V47 M51	V47-S49 PolarHBondContact O-N 3.19Å; S49-M51 PolarHBondContact O-N 2.6Å
50	P	36.1	Very low	50.2	Low	133 Å²	133	84.1 Å²	84.1	86%	0.864	55%	0.547	S	S	*	.	S	Bend	trans	-68	11.6	-169.5	-18.5	31.7	0	0	0	115.4
51	M	46	Very low	52.8	Low	40 Å²	40	87.5 Å²	87.5	20%	0.197	56%	0.563	C	S	.	*			trans	-111.3	77.9	176.7	-61.9	-160.2	-132.2	0	0	109.7	S49 D53 E150 N153	S49-M51 PolarHBondContact O-N 2.6Å; M51-D53 VanDerWaalsContact C-N 3.29Å; M51-D53 PolarHBondContact O-N 3.08Å; M51-E150 HydrophobicContact CE-CG 4.03Å; M51-E150 VanDerWaalsContact CE-O 3.32Å; M51-E150 WeakPolarHBondContact CE-O 3.31Å; M51-E150 HydrophobicContact SD-CG 3.63Å; M51-N153 HydrophobicContact CE-CB 4.03Å
52	D	44.4	Very low	55.6	Low	150 Å²	150	87.2 Å²	87.2	80%	0.802	56%	0.557	S	S	*	*			trans	-87.6	76.3	159.9	-173.6	15.8	0	0	0	108.7	G54	D52-G54 VanDerWaalsContact C-N 3.27Å; D52-G54 PolarHBondContact OD1-N 3.47Å
53	D	48	Very low	58.6	Low	67 Å²	67	81.3 Å²	81.3	36%	0.358	53%	0.528	S	S	.	.	S	Bend	trans	-93.6	21.9	170.2	65.4	-45.6	0	0	0	111.7	M51 F55 K118	M51-D53 VanDerWaalsContact C-N 3.29Å; M51-D53 PolarHBondContact O-N 3.08Å; D53-F55 VanDerWaalsContact C-N 3.32Å; D53-F55 VanDerWaalsContact OD1-CB 3.3Å; D53-F55 WeakPolarHBondContact OD1-CB 3.28Å; D53-K118 IonicContact OD2-NZ 2.73Å; D53-K118 PolarHBondContact OD2-NZ 3.31Å
54	G	53.9	Low	61.6	Low	64 Å²	64	80.4 Å²	80.4	66%	0.66	51%	0.514	S	S	*	.	S	Bend	trans	72.1	23.3	-173.3	0	0	0	0	0	113.6	D52	D52-G54 VanDerWaalsContact C-N 3.27Å; D52-G54 PolarHBondContact OD1-N 3.47Å
55	F	62.4	Low	64.8	Low	38 Å²	38	78.7 Å²	78.7	17%	0.167	49%	0.489	C	S	.	.			trans	-82.9	131	178.6	-170.8	-94.8	0	0	0	111.7	D53 K118 R121 D122	D53-F55 VanDerWaalsContact C-N 3.32Å; D53-F55 VanDerWaalsContact OD1-CB 3.3Å; D53-F55 WeakPolarHBondContact OD1-CB 3.28Å; F55-K118 HydrophobicContact CD2-CB 4.44Å; F55-K118 HydrophobicContact CD2-CD 4.31Å; F55-K118 HydrophobicContact CD2-CG 4.33Å; F55-K118 HydrophobicContact CE2-CB 3.97Å; F55-K118 HydrophobicContact CE2-CG 4.31Å; F55-R121 VanDerWaalsContact CD1-NH1 3.31Å; F55-R121 HydrophobicContact CE1-CG 4.05Å; F55-R121 HydrophobicContact CE2-CB 4.45Å; F55-R121 HydrophobicContact CZ-CB 3.92Å; F55-R121 HydrophobicContact CZ-CG 3.84Å; F55-D122 WeakPolarHBondContact CZ-OD1 3.48Å
56	L	73.1	Confident	68	Low	68 Å²	68	71 Å²	71	36%	0.356	45%	0.453	S	S	.	.			trans	-92.4	106.8	175.3	-76.1	164.9	0	0	0	109.6	S62	L56-S62 WeakPolarHBondContact CD2-OG 3.4Å
57	S	85.6	Confident	71	Confident	48 Å²	48	71.5 Å²	71.5	34%	0.336	43%	0.434	S	S	.	.			trans	-56.3	151	171.1	160.7	0	0	0	0	111.6	D59 S60	S57-D59 PolarHBondContact O-N 2.98Å; S57-D59 PolarHBondContact OG-N 3.43Å; S57-S60 WeakPolarHBondContact O-CB 3.27Å; S57-S60 PolarHBondContact O-N 3.21Å
58	L	88.9	Confident	74.2	Confident	7 Å²	7	70.1 Å²	70.1	4%	0.037	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.9	175.9	-80.3	163.3	0	0	0	113.6	Y63 K95 V99 D122 E125 L126	L58-Y63 HydrophobicContact CD2-CD2 4.09Å; L58-Y63 HydrophobicContact CD2-CE1 4.36Å; L58-Y63 HydrophobicContact CD2-CE2 3.34Å; L58-Y63 HydrophobicContact CG-CE2 4.13Å; L58-K95 PolarHBondContact O-NZ 3.44Å; L58-V99 HydrophobicContact CD2-CG2 4.26Å; L58-D122 HydrophobicContact CD1-CB 3.89Å; L58-D122 WeakPolarHBondContact CD1-O 3.47Å; L58-D122 HydrophobicContact CD2-CB 4.26Å; L58-D122 HydrophobicContact CG-CB 4.07Å; L58-E125 HydrophobicContact CD1-CB 3.81Å; L58-E125 HydrophobicContact CD1-CG 3.83Å; L58-L126 HydrophobicContact CD1-CD1 4.32Å; L58-L126 HydrophobicContact CD1-CD2 4.11Å; L58-L126 HydrophobicContact CD1-CG 3.69Å
59	D	87.6	Confident	77.2	Confident	136 Å²	136	67.5 Å²	67.5	73%	0.727	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.9	178.7	-70	-26.2	0	0	0	113.4	S57	S57-D59 PolarHBondContact O-N 2.98Å; S57-D59 PolarHBondContact OG-N 3.43Å
60	S	90.4	Very high	80	Confident	28 Å²	28	68.9 Å²	68.9	20%	0.196	41%	0.408	C	S	.	.			trans	-60	135.7	174.6	-179.2	0	0	0	0	111.1	S57 S62 Y63	S57-S60 WeakPolarHBondContact O-CB 3.27Å; S57-S60 PolarHBondContact O-N 3.21Å; S60-S62 PolarHBondContact O-N 3.13Å; S60-S62 VanDerWaalsContact O-N 3.12Å; S60-S62 PolarHBondContact OG-N 2.96Å; S60-S62 PolarHBondContact OG-OG 3.1Å; S60-Y63 VanDerWaalsContact O-CB 3.24Å; S60-Y63 WeakPolarHBondContact O-CB 3.43Å; S60-Y63 PolarHBondContact O-N 3.42Å
61	P	89.6	Confident	82.9	Confident	141 Å²	141	67.8 Å²	67.8	92%	0.916	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.9	174.5	27.4	-35.4	0	0	0	112.6
62	S	93.4	Very high	85.4	Confident	68 Å²	68	66.1 Å²	66.1	48%	0.476	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	12.3	175	53	0	0	0	0	113.6	L56 S60 V64	L56-S62 WeakPolarHBondContact CD2-OG 3.4Å; S60-S62 PolarHBondContact O-N 3.13Å; S60-S62 VanDerWaalsContact O-N 3.12Å; S60-S62 PolarHBondContact OG-N 2.96Å; S60-S62 PolarHBondContact OG-OG 3.1Å; S62-V64 PolarHBondContact O-N 2.92Å
63	Y	95.5	Very high	87.9	Confident	26 Å²	26	62.9 Å²	62.9	10%	0.102	38%	0.377	C	S	.	.			trans	-59.9	131.9	174.4	177.3	-89.7	0	0	0	111.3	L58 S60 L65 K95	L58-Y63 HydrophobicContact CD2-CD2 4.09Å; L58-Y63 HydrophobicContact CD2-CE1 4.36Å; L58-Y63 HydrophobicContact CD2-CE2 3.34Å; L58-Y63 HydrophobicContact CG-CE2 4.13Å; S60-Y63 VanDerWaalsContact O-CB 3.24Å; S60-Y63 WeakPolarHBondContact O-CB 3.43Å; S60-Y63 PolarHBondContact O-N 3.42Å; Y63-L65 HydrophobicContact CE1-CD2 3.91Å; Y63-L65 HydrophobicContact CE1-CG 4.29Å; Y63-K95 HydrophobicContact CD1-CD 4.29Å; Y63-K95 HydrophobicContact CE1-CD 4.15Å; Y63-K95 HydrophobicContact CE1-CG 4.05Å
64	V	96.8	Very high	90.3	Very high	64 Å²	64	64.3 Å²	64.3	39%	0.388	39%	0.385	S	S	.	.			trans	-117.7	136.8	175.9	-177.1	0	0	0	0	108.9	S62 D68 R69	S62-V64 PolarHBondContact O-N 2.92Å; V64-D68 HydrophobicContact CG1-CB 3.69Å; V64-R69 HydrophobicContact CB-CG 4.38Å; V64-R69 HydrophobicContact CG1-CG 4.2Å; V64-R69 VanDerWaalsContact O-CZ 3.32Å; V64-R69 PolarHBondContact O-NE 2.99Å; V64-R69 PolarHBondContact O-NH2 3.03Å
65	L	98.3	Very high	92.5	Very high	27 Å²	27	61.5 Å²	61.5	14%	0.141	36%	0.355	C	S	.	.			trans	-63.3	144.4	176.2	-66.7	163.1	0	0	0	110.2	Y63 R67 D68 R69 K95 D98	Y63-L65 HydrophobicContact CE1-CD2 3.91Å; Y63-L65 HydrophobicContact CE1-CG 4.29Å; L65-R67 HydrophobicContact CB-CG 4.1Å; L65-R67 PolarHBondContact O-N 2.91Å; L65-D68 WeakPolarHBondContact O-CA 3.38Å; L65-D68 PolarHBondContact O-N 3.1Å; L65-R69 WeakPolarHBondContact O-CG 3.48Å; L65-R69 PolarHBondContact O-N 3.33Å; L65-K95 HydrophobicContact CD2-CB 4.33Å; L65-K95 HydrophobicContact CD2-CG 3.9Å; L65-D98 WeakPolarHBondContact CA-OD2 3.42Å; L65-D98 WeakPolarHBondContact CB-OD2 3.49Å; L65-D98 HydrophobicContact CD2-CB 3.85Å
66	Y	98.3	Very high	94.2	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.008	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-57.4	-36.7	-176.9	-80.6	-95.9	0	0	0	112.3	D68 R69 W72 D98 V99 Y102 L119 D122	Y66-D68 PolarHBondContact O-N 2.68Å; Y66-D68 VanDerWaalsContact O-N 3.16Å; Y66-R69 PolarHBondContact O-N 3.44Å; Y66-R69 VanDerWaalsContact O-N 3.13Å; Y66-R69 PolarHBondContact OH-NH1 3Å; Y66-W72 AromaticContact CD1-CD1 3.75Å; Y66-W72 AromaticContact CD1-CD2 3.7Å; Y66-W72 HydrophobicContact CD1-CD2 3.7Å; Y66-W72 AromaticContact CD1-CE2 3.42Å; Y66-W72 VanDerWaalsContact CD1-CE2 3.42Å; Y66-W72 HydrophobicContact CD1-CE3 4.38Å; Y66-W72 AromaticContact CD1-CG 3.91Å; Y66-W72 HydrophobicContact CD1-CG 3.91Å; Y66-W72 AromaticContact CD1-CZ2 3.88Å; Y66-W72 HydrophobicContact CD1-CZ2 3.88Å; Y66-W72 AromaticContact CD1-NE1 3.45Å; Y66-W72 HydrophobicContact CE1-CD2 4.25Å; Y66-W72 AromaticContact CE1-CE2 3.48Å; Y66-W72 VanDerWaalsContact CE1-CE2 3.48Å; Y66-W72 HydrophobicContact CE1-CH2 4.45Å; Y66-W72 AromaticContact CE1-CZ2 3.6Å; Y66-W72 HydrophobicContact CE1-CZ2 3.6Å; Y66-W72 AromaticContact CE1-NE1 3.47Å; Y66-W72 WeakPolarHBondContact O-CB 3.39Å; Y66-D98 WeakPolarHBondContact CB-OD2 3.35Å; Y66-D98 PolarHBondContact N-OD2 3.02Å; Y66-V99 HydrophobicContact CD2-CG2 3.9Å; Y66-V99 HydrophobicContact CE2-CG2 3.8Å; Y66-Y102 HydrophobicContact CD1-CG 4.49Å; Y66-Y102 HydrophobicContact CG-CD2 4.29Å; Y66-Y102 HydrophobicContact CG-CG 4.32Å; Y66-L119 HydrophobicContact CD1-CD1 4.04Å; Y66-L119 HydrophobicContact CD2-CD1 4.26Å; Y66-L119 HydrophobicContact CE1-CB 4.08Å; Y66-L119 HydrophobicContact CE1-CD1 3.53Å; Y66-L119 HydrophobicContact CE1-CG 4.31Å; Y66-L119 HydrophobicContact CE2-CD1 3.79Å; Y66-L119 HydrophobicContact CG-CD1 4.39Å; Y66-L119 WeakPolarHBondContact OH-CA 3.19Å; Y66-D122 HydrophobicContact CE2-CB 4.47Å; Y66-D122 WeakPolarHBondContact CE2-OD2 3.37Å; Y66-D122 VanDerWaalsContact CZ-OD2 3.26Å; Y66-D122 PolarHBondContact OH-OD2 3.32Å
67	R	98.3	Very high	95.4	Very high	111 Å²	111	65.7 Å²	65.7	42%	0.419	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21	173.4	69.8	-175.1	-178.3	-125.4	10.2	115.5	L65 D94 D98 Y102	L65-R67 HydrophobicContact CB-CG 4.1Å; L65-R67 PolarHBondContact O-N 2.91Å; R67-D94 IonicContact CZ-OD1 3.76Å; R67-D94 IonicContact CZ-OD2 3.4Å; R67-D94 IonicContact NH1-OD1 2.91Å; R67-D94 PolarHBondContact NH1-OD1 3.26Å; R67-D94 IonicContact NH1-OD2 3.21Å; R67-D94 PolarHBondContact NH1-OD2 3.18Å; R67-D94 IonicContact NH2-OD1 3.72Å; R67-D94 IonicContact NH2-OD2 2.7Å; R67-D94 PolarHBondContact NH2-OD2 3.18Å; R67-D98 WeakPolarHBondContact CG-OD1 3.28Å; R67-D98 PolarHBondContact N-OD1 2.89Å; R67-D98 IonicContact NH1-OD1 3.96Å; R67-Y102 VanDerWaalsContact CA-OH 3.28Å; R67-Y102 WeakPolarHBondContact CA-OH 3.42Å; R67-Y102 HydrophobicContact CB-CE2 4Å; R67-Y102 VanDerWaalsContact N-CE2 3.32Å
68	D	98.1	Very high	96	Very high	106 Å²	106	65.4 Å²	65.4	57%	0.567	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-104.1	-1.1	-178.7	-59	-45.3	0	0	0	112	V64 L65 Y66	V64-D68 HydrophobicContact CG1-CB 3.69Å; L65-D68 WeakPolarHBondContact O-CA 3.38Å; L65-D68 PolarHBondContact O-N 3.1Å; Y66-D68 PolarHBondContact O-N 2.68Å; Y66-D68 VanDerWaalsContact O-N 3.16Å
69	R	97.5	Very high	96.5	Very high	34 Å²	34	69.4 Å²	69.4	13%	0.128	41%	0.405	C	S	.	.			trans	-85.5	126.1	177.7	-66.4	-178.6	-163.8	-171.7	6.7	110.8	V64 L65 Y66 E71 W72 D122	V64-R69 HydrophobicContact CB-CG 4.38Å; V64-R69 HydrophobicContact CG1-CG 4.2Å; V64-R69 VanDerWaalsContact O-CZ 3.32Å; V64-R69 PolarHBondContact O-NE 2.99Å; V64-R69 PolarHBondContact O-NH2 3.03Å; L65-R69 WeakPolarHBondContact O-CG 3.48Å; L65-R69 PolarHBondContact O-N 3.33Å; Y66-R69 PolarHBondContact O-N 3.44Å; Y66-R69 VanDerWaalsContact O-N 3.13Å; Y66-R69 PolarHBondContact OH-NH1 3Å; R69-E71 VanDerWaalsContact C-N 3.27Å; R69-E71 PolarHBondContact O-N 2.85Å; R69-W72 HydrophobicContact CB-CB 4.28Å; R69-W72 HydrophobicContact CB-CG 4.4Å; R69-W72 PolarHBondContact O-N 2.83Å; R69-D122 IonicContact NH2-OD2 3.81Å
70	A	97.4	Very high	97	Very high	88 Å²	88	66.6 Å²	66.6	73%	0.727	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-61.5	-35.5	-176.2	0	0	0	0	0	112.7	W72 A73	A70-W72 PolarHBondContact O-N 3.47Å; A70-A73 WeakPolarHBondContact O-CB 3.17Å; A70-A73 PolarHBondContact O-N 2.98Å
71	E	97.6	Very high	97.4	Very high	110 Å²	110	72 Å²	72	51%	0.514	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-75.1	0.3	178.4	73.4	-78.6	-174.6	0	0	114.7	R69 R115	R69-E71 VanDerWaalsContact C-N 3.27Å; R69-E71 PolarHBondContact O-N 2.85Å; E71-R115 PolarHBondContact O-NH1 3.25Å
72	W	98.4	Very high	97.8	Very high	5 Å²	5	68.4 Å²	68.4	2%	0.019	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-116.3	3.1	174.7	-74.9	92.8	0	0	0	113	Y66 R69 A70 D74 I75 Y102 V106 R115 L119	Y66-W72 AromaticContact CD1-CD1 3.75Å; Y66-W72 AromaticContact CD1-CD2 3.7Å; Y66-W72 HydrophobicContact CD1-CD2 3.7Å; Y66-W72 AromaticContact CD1-CE2 3.42Å; Y66-W72 VanDerWaalsContact CD1-CE2 3.42Å; Y66-W72 HydrophobicContact CD1-CE3 4.38Å; Y66-W72 AromaticContact CD1-CG 3.91Å; Y66-W72 HydrophobicContact CD1-CG 3.91Å; Y66-W72 AromaticContact CD1-CZ2 3.88Å; Y66-W72 HydrophobicContact CD1-CZ2 3.88Å; Y66-W72 AromaticContact CD1-NE1 3.45Å; Y66-W72 HydrophobicContact CE1-CD2 4.25Å; Y66-W72 AromaticContact CE1-CE2 3.48Å; Y66-W72 VanDerWaalsContact CE1-CE2 3.48Å; Y66-W72 HydrophobicContact CE1-CH2 4.45Å; Y66-W72 AromaticContact CE1-CZ2 3.6Å; Y66-W72 HydrophobicContact CE1-CZ2 3.6Å; Y66-W72 AromaticContact CE1-NE1 3.47Å; Y66-W72 WeakPolarHBondContact O-CB 3.39Å; R69-W72 HydrophobicContact CB-CB 4.28Å; R69-W72 HydrophobicContact CB-CG 4.4Å; R69-W72 PolarHBondContact O-N 2.83Å; A70-W72 PolarHBondContact O-N 3.47Å; W72-D74 PolarHBondContact O-N 3.41Å; W72-I75 HydrophobicContact CE3-CG2 3.51Å; W72-I75 HydrophobicContact CZ3-CG2 4.05Å; W72-I75 WeakPolarHBondContact O-CG2 3.28Å; W72-I75 PolarHBondContact O-N 3.21Å; W72-Y102 HydrophobicContact CB-CE1 3.96Å; W72-Y102 HydrophobicContact CD2-CD1 4.13Å; W72-Y102 HydrophobicContact CD2-CE1 4.4Å; W72-Y102 AromaticContact CE3-CD1 3.35Å; W72-Y102 HydrophobicContact CE3-CD1 3.35Å; W72-Y102 AromaticContact CE3-CE1 3.82Å; W72-Y102 HydrophobicContact CE3-CE1 3.82Å; W72-Y102 HydrophobicContact CE3-CG 4.31Å; W72-Y102 HydrophobicContact CG-CE1 4.5Å; W72-Y102 AromaticContact CZ3-CD1 3.86Å; W72-Y102 HydrophobicContact CZ3-CD1 3.86Å; W72-V106 HydrophobicContact CH2-CG1 3.83Å; W72-V106 HydrophobicContact CZ3-CG1 3.59Å; W72-R115 HydrophobicContact CH2-CB 4.32Å; W72-R115 HydrophobicContact CH2-CG 4.02Å; W72-R115 HydrophobicContact CZ2-CB 3.68Å; W72-R115 HydrophobicContact CZ2-CG 3.86Å; W72-R115 WeakPolarHBondContact CZ2-O 3.28Å; W72-L119 HydrophobicContact CH2-CB 3.96Å; W72-L119 HydrophobicContact CH2-CD2 3.53Å; W72-L119 HydrophobicContact CH2-CG 4.32Å; W72-L119 HydrophobicContact CZ2-CB 3.93Å; W72-L119 HydrophobicContact CZ2-CD2 4.23Å; W72-L119 HydrophobicContact CZ3-CD2 4.09Å
73	A	98	Very high	98	Very high	82 Å²	82	66.8 Å²	66.8	68%	0.678	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16	-177.6	0	0	0	0	0	114.3	A70	A70-A73 WeakPolarHBondContact O-CB 3.17Å; A70-A73 PolarHBondContact O-N 2.98Å
74	D	98.3	Very high	98.1	Very high	98 Å²	98	72 Å²	72	52%	0.524	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.4	178.8	64.6	-74.4	0	0	0	114.3	W72 R115	W72-D74 PolarHBondContact O-N 3.41Å; D74-R115 VanDerWaalsContact CG-NH1 3.29Å; D74-R115 IonicContact OD1-CZ 3.74Å; D74-R115 IonicContact OD1-NH1 3.97Å; D74-R115 PolarHBondContact OD1-NH1 3.45Å; D74-R115 IonicContact OD1-NH2 2.97Å; D74-R115 IonicContact OD2-CZ 3.92Å; D74-R115 IonicContact OD2-NH1 3.25Å; D74-R115 PolarHBondContact OD2-NH1 2.95Å; D74-R115 VanDerWaalsContact OD2-NH1 3.13Å; D74-R115 IonicContact OD2-NH2 3.63Å; D74-R115 PolarHBondContact OD2-NH2 2.85Å
75	I	98.1	Very high	98.1	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.021	43%	0.433	C	S	.	.	S	Bend	trans	-127.9	123.7	178.8	-173.8	171.3	0	0	0	110.7	W72 Y102 A105 V106	W72-I75 HydrophobicContact CE3-CG2 3.51Å; W72-I75 HydrophobicContact CZ3-CG2 4.05Å; W72-I75 WeakPolarHBondContact O-CG2 3.28Å; W72-I75 PolarHBondContact O-N 3.21Å; I75-Y102 HydrophobicContact CG2-CD1 4.06Å; I75-Y102 HydrophobicContact CG2-CE1 3.84Å; I75-A105 HydrophobicContact CD1-CB 3.65Å; I75-A105 HydrophobicContact CG1-CB 3.86Å; I75-V106 HydrophobicContact CD1-CG1 3.9Å
76	D	98.6	Very high	98.1	Very high	141 Å²	141	74.9 Å²	74.9	75%	0.754	44%	0.442	S	S	*	.			trans	-73.7	129.8	174.8	-64.5	-48.4	0	0	0	110	A105	D76-A105 WeakPolarHBondContact O-CB 3.38Å
77	P	98.7	Very high	98.1	Very high	54 Å²	54	80.7 Å²	80.7	35%	0.351	48%	0.477	S	S	.	.			trans	-61.8	144.8	174	23.1	-30.5	0	0	0	110.7	P79 D101 Y102	P77-P79 WeakPolarHBondContact O-CD 3.47Å; P77-D101 HydrophobicContact CB-CB 3.76Å; P77-Y102 HydrophobicContact CB-CD2 4.19Å; P77-Y102 HydrophobicContact CB-CE2 3.93Å; P77-Y102 HydrophobicContact CG-CE2 4.3Å
78	V	98.9	Very high	98.1	Very high	41 Å²	41	82.2 Å²	82.2	25%	0.248	50%	0.499	C	S	.	.			trans	-107.5	106.9	178.1	175.9	0	0	0	0	109.6	D101 R104 A105	V78-D101 PolarHBondContact N-O 2.95Å; V78-D101 WeakPolarHBondContact O-CA 3.44Å; V78-R104 HydrophobicContact CB-CB 3.81Å; V78-R104 HydrophobicContact CG1-CB 4.03Å; V78-R104 WeakPolarHBondContact O-CB 3.49Å; V78-R104 WeakPolarHBondContact O-CD 3.29Å; V78-R104 PolarHBondContact O-NE 3.46Å; V78-A105 HydrophobicContact CB-CB 4.35Å; V78-A105 HydrophobicContact CG2-CB 3.83Å
79	P	98.6	Very high	98.1	Very high	92 Å²	92	82.2 Å²	82.2	60%	0.597	50%	0.495	S	S	*	.			trans	-61.8	149.2	179.2	-25.1	35.8	0	0	0	113.6	P77 N81 D101	P77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-N81 PolarHBondContact O-N 3.36Å; P79-D101 WeakPolarHBondContact CA-OD1 3.27Å
80	Q	98.5	Very high	98.1	Very high	76 Å²	76	85.6 Å²	85.6	36%	0.355	52%	0.515	S	S	.	.			trans	-66.6	129	168.1	-171.7	162.9	-49.2	0	0	110.3	D82 Y92	Q80-D82 WeakPolarHBondContact CG-OD1 3.41Å; Q80-D82 PolarHBondContact NE2-OD1 2.92Å; Q80-Y92 PolarHBondContact NE2-OH 3.47Å
81	N	98.3	Very high	98.1	Very high	143 Å²	143	88.2 Å²	88.2	77%	0.765	52%	0.515	S	S	*	.			trans	-97.5	92.6	174.9	-179	18.2	0	0	0	110.9	P79 G83	P79-N81 PolarHBondContact O-N 3.36Å; N81-G83 PolarHBondContact O-N 2.66Å; N81-G83 PolarHBondContact OD1-N 3.19Å; N81-G83 VanDerWaalsContact OD1-N 3.1Å
82	D	98	Very high	98.2	Very high	65 Å²	65	85.2 Å²	85.2	35%	0.348	50%	0.499	S	S	.	.			trans	-85	7.7	173.9	-65.9	-32.5	0	0	0	113.2	Q80 P86	Q80-D82 WeakPolarHBondContact CG-OD1 3.41Å; Q80-D82 PolarHBondContact NE2-OD1 2.92Å; D82-P86 HydrophobicContact CB-CB 3.97Å; D82-P86 HydrophobicContact CB-CG 4.05Å
83	G	97.8	Very high	98.2	Very high	33 Å²	33	88.1 Å²	88.1	34%	0.34	52%	0.521	S	S	.	.			trans	76.5	178.1	-176.7	0	0	0	0	0	114.2	N81 S85	N81-G83 PolarHBondContact O-N 2.66Å; N81-G83 PolarHBondContact OD1-N 3.19Å; N81-G83 VanDerWaalsContact OD1-N 3.1Å; G83-S85 VanDerWaalsContact C-N 3.3Å; G83-S85 PolarHBondContact O-N 3.1Å
84	P	97.5	Very high	98.2	Very high	136 Å²	136	87.7 Å²	87.7	88%	0.883	51%	0.507	S	S	*	.	S	Bend	trans	-73.2	-20	-177.3	29.2	-35.5	0	0	0	113.9
85	S	97.7	Very high	98.2	Very high	102 Å²	102	86.8 Å²	86.8	71%	0.713	50%	0.498	S	S	*	.	S	Bend	trans	-131.3	78	178.6	-59.4	0	0	0	0	109.9	G83	G83-S85 VanDerWaalsContact C-N 3.3Å; G83-S85 PolarHBondContact O-N 3.1Å
86	P	97.8	Very high	98.2	Very high	49 Å²	49	88.1 Å²	88.1	32%	0.318	50%	0.504	S	S	.	.			trans	-60.5	145	-176.1	-25.8	36.8	0	0	0	112.9	D82 Q89	D82-P86 HydrophobicContact CB-CB 3.97Å; D82-P86 HydrophobicContact CB-CG 4.05Å; P86-Q89 HydrophobicContact CB-CB 3.79Å; P86-Q89 HydrophobicContact CB-CG 4.06Å
87	V	97.8	Very high	98.2	Very high	125 Å²	125	86 Å²	86	76%	0.758	49%	0.485	S	S	*	.	S	Bend	trans	-122.1	148.4	171	-66.5	0	0	0	0	109.1	Q89	V87-Q89 PolarHBondContact O-N 3.46Å
88	V	98.1	Very high	98.2	Very high	143 Å²	143	83.7 Å²	83.7	87%	0.867	47%	0.47	S	S	*	.	S	Bend	trans	46.4	33.4	-174	-61.5	0	0	0	0	113.1	I90	V88-I90 PolarHBondContact O-N 3.04Å
89	Q	98.1	Very high	98.2	Very high	105 Å²	105	81.7 Å²	81.7	49%	0.491	46%	0.458	S	S	.	.			trans	-66.5	123.5	-175.6	-173.8	178.7	40.1	0	0	110	P86 V87	P86-Q89 HydrophobicContact CB-CB 3.79Å; P86-Q89 HydrophobicContact CB-CG 4.06Å; V87-Q89 PolarHBondContact O-N 3.46Å
90	I	98.2	Very high	98.2	Very high	105 Å²	105	77.7 Å²	77.7	54%	0.538	43%	0.431	S	S	.	.			trans	-86.9	129.3	175.9	-58.2	170.5	0	0	0	108.1	V88 Y92	V88-I90 PolarHBondContact O-N 3.04Å; I90-Y92 VanDerWaalsContact C-N 3.34Å; I90-Y92 HydrophobicContact CB-CD1 3.99Å; I90-Y92 HydrophobicContact CB-CE1 3.48Å; I90-Y92 VanDerWaalsContact CB-CE1 3.48Å; I90-Y92 HydrophobicContact CB-CE2 4.43Å; I90-Y92 HydrophobicContact CD1-CE1 4Å; I90-Y92 HydrophobicContact CG1-CE1 4.32Å; I90-Y92 HydrophobicContact CG2-CD1 3.56Å; I90-Y92 HydrophobicContact CG2-CE1 3.48Å; I90-Y92 VanDerWaalsContact CG2-CE1 3.48Å; I90-Y92 HydrophobicContact CG2-CG 4.37Å; I90-Y92 WeakPolarHBondContact O-CD2 3.35Å; I90-Y92 PolarHBondContact O-N 3.35Å
91	I	98.3	Very high	98.2	Very high	144 Å²	144	75.2 Å²	75.2	74%	0.738	42%	0.421	S	S	*	.			trans	-81.3	86.4	172.1	-51.1	-55	0	0	0	108.2
92	Y	98.2	Very high	98.3	Very high	46 Å²	46	68.9 Å²	68.9	18%	0.18	39%	0.386	C	S	.	.			trans	-64.9	146.4	-179	-54.5	-63.8	0	0	0	112.4	Q80 I90 F96 R97	Q80-Y92 PolarHBondContact NE2-OH 3.47Å; I90-Y92 VanDerWaalsContact C-N 3.34Å; I90-Y92 HydrophobicContact CB-CD1 3.99Å; I90-Y92 HydrophobicContact CB-CE1 3.48Å; I90-Y92 VanDerWaalsContact CB-CE1 3.48Å; I90-Y92 HydrophobicContact CB-CE2 4.43Å; I90-Y92 HydrophobicContact CD1-CE1 4Å; I90-Y92 HydrophobicContact CG1-CE1 4.32Å; I90-Y92 HydrophobicContact CG2-CD1 3.56Å; I90-Y92 HydrophobicContact CG2-CE1 3.48Å; I90-Y92 VanDerWaalsContact CG2-CE1 3.48Å; I90-Y92 HydrophobicContact CG2-CG 4.37Å; I90-Y92 WeakPolarHBondContact O-CD2 3.35Å; I90-Y92 PolarHBondContact O-N 3.35Å; Y92-F96 AromaticContact CD1-CD1 3.27Å; Y92-F96 HydrophobicContact CD1-CD1 3.27Å; Y92-F96 AromaticContact CD1-CE1 3.29Å; Y92-F96 HydrophobicContact CD1-CE1 3.29Å; Y92-F96 HydrophobicContact CD1-CG 4.06Å; Y92-F96 HydrophobicContact CD1-CZ 4.07Å; Y92-F96 HydrophobicContact CD2-CD1 4.46Å; Y92-F96 AromaticContact CE1-CD1 3.93Å; Y92-F96 HydrophobicContact CE1-CD1 3.93Å; Y92-F96 AromaticContact CE1-CE1 3.42Å; Y92-F96 HydrophobicContact CE1-CE1 3.42Å; Y92-F96 VanDerWaalsContact CE1-CE1 3.42Å; Y92-F96 HydrophobicContact CE1-CZ 4.04Å; Y92-F96 AromaticContact CG-CD1 3.59Å; Y92-F96 HydrophobicContact CG-CD1 3.59Å; Y92-F96 AromaticContact CG-CE1 3.96Å; Y92-F96 HydrophobicContact CG-CE1 3.96Å; Y92-F96 HydrophobicContact CG-CG 4.46Å; Y92-R97 PolarHBondContact O-NH2 2.93Å
93	S	98.4	Very high	98.3	Very high	67 Å²	67	66.1 Å²	66.1	47%	0.469	37%	0.371	S	S	.	.			trans	-61.6	160.1	164.5	73	0	0	0	0	110.5	F96 R97	S93-F96 PolarHBondContact O-N 3.36Å; S93-F96 VanDerWaalsContact OG-CB 3.29Å; S93-F96 WeakPolarHBondContact OG-CB 3.24Å; S93-F96 PolarHBondContact OG-N 3.34Å; S93-F96 VanDerWaalsContact OG-N 3.12Å; S93-R97 PolarHBondContact O-N 2.94Å
94	D	98.1	Very high	98.4	Very high	72 Å²	72	66.6 Å²	66.6	39%	0.385	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-42.4	179.2	-167	34.1	0	0	0	111.8	R67 F96 R97 D98	R67-D94 IonicContact CZ-OD1 3.76Å; R67-D94 IonicContact CZ-OD2 3.4Å; R67-D94 IonicContact NH1-OD1 2.91Å; R67-D94 PolarHBondContact NH1-OD1 3.26Å; R67-D94 IonicContact NH1-OD2 3.21Å; R67-D94 PolarHBondContact NH1-OD2 3.18Å; R67-D94 IonicContact NH2-OD1 3.72Å; R67-D94 IonicContact NH2-OD2 2.7Å; R67-D94 PolarHBondContact NH2-OD2 3.18Å; D94-F96 PolarHBondContact O-N 3.38Å; D94-R97 PolarHBondContact O-N 2.93Å; D94-R97 IonicContact OD1-NH1 3.81Å; D94-D98 WeakPolarHBondContact O-CB 3.3Å; D94-D98 PolarHBondContact O-N 2.75Å
95	K	98.3	Very high	98.4	Very high	80 Å²	80	60.2 Å²	60.2	35%	0.348	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-46.3	172	-71.6	-173.8	175.7	-173.7	0	112.1	L58 Y63 L65 D98 V99	L58-K95 PolarHBondContact O-NZ 3.44Å; Y63-K95 HydrophobicContact CD1-CD 4.29Å; Y63-K95 HydrophobicContact CE1-CD 4.15Å; Y63-K95 HydrophobicContact CE1-CG 4.05Å; L65-K95 HydrophobicContact CD2-CB 4.33Å; L65-K95 HydrophobicContact CD2-CG 3.9Å; K95-D98 PolarHBondContact O-N 3.36Å; K95-V99 WeakPolarHBondContact O-CG2 3.2Å; K95-V99 PolarHBondContact O-N 2.88Å
96	F	98.7	Very high	98.5	Very high	32 Å²	32	55.4 Å²	55.4	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-48	-178.7	-173.9	-74.6	0	0	0	111.4	Y92 S93 D94 D98 Y100 L126 N127	Y92-F96 AromaticContact CD1-CD1 3.27Å; Y92-F96 HydrophobicContact CD1-CD1 3.27Å; Y92-F96 AromaticContact CD1-CE1 3.29Å; Y92-F96 HydrophobicContact CD1-CE1 3.29Å; Y92-F96 HydrophobicContact CD1-CG 4.06Å; Y92-F96 HydrophobicContact CD1-CZ 4.07Å; Y92-F96 HydrophobicContact CD2-CD1 4.46Å; Y92-F96 AromaticContact CE1-CD1 3.93Å; Y92-F96 HydrophobicContact CE1-CD1 3.93Å; Y92-F96 AromaticContact CE1-CE1 3.42Å; Y92-F96 HydrophobicContact CE1-CE1 3.42Å; Y92-F96 VanDerWaalsContact CE1-CE1 3.42Å; Y92-F96 HydrophobicContact CE1-CZ 4.04Å; Y92-F96 AromaticContact CG-CD1 3.59Å; Y92-F96 HydrophobicContact CG-CD1 3.59Å; Y92-F96 AromaticContact CG-CE1 3.96Å; Y92-F96 HydrophobicContact CG-CE1 3.96Å; Y92-F96 HydrophobicContact CG-CG 4.46Å; S93-F96 PolarHBondContact O-N 3.36Å; S93-F96 VanDerWaalsContact OG-CB 3.29Å; S93-F96 WeakPolarHBondContact OG-CB 3.24Å; S93-F96 PolarHBondContact OG-N 3.34Å; S93-F96 VanDerWaalsContact OG-N 3.12Å; D94-F96 PolarHBondContact O-N 3.38Å; F96-D98 PolarHBondContact O-N 3.49Å; F96-Y100 AromaticContact CD1-CD2 3.74Å; F96-Y100 HydrophobicContact CD1-CD2 3.74Å; F96-Y100 HydrophobicContact CD1-CE2 4.39Å; F96-Y100 HydrophobicContact CD1-CG 4.45Å; F96-Y100 HydrophobicContact CD2-CD2 4.24Å; F96-Y100 HydrophobicContact CD2-CE2 4.18Å; F96-Y100 AromaticContact CE1-CD2 3.42Å; F96-Y100 HydrophobicContact CE1-CD2 3.42Å; F96-Y100 VanDerWaalsContact CE1-CD2 3.42Å; F96-Y100 AromaticContact CE1-CE2 3.84Å; F96-Y100 HydrophobicContact CE1-CE2 3.84Å; F96-Y100 AromaticContact CE1-CG 3.99Å; F96-Y100 HydrophobicContact CE1-CG 3.99Å; F96-Y100 AromaticContact CE2-CD2 3.96Å; F96-Y100 HydrophobicContact CE2-CD2 3.96Å; F96-Y100 AromaticContact CE2-CE2 3.61Å; F96-Y100 HydrophobicContact CE2-CE2 3.61Å; F96-Y100 HydrophobicContact CG-CD2 4.14Å; F96-Y100 AromaticContact CZ-CD2 3.54Å; F96-Y100 HydrophobicContact CZ-CD2 3.54Å; F96-Y100 AromaticContact CZ-CE2 3.41Å; F96-Y100 HydrophobicContact CZ-CE2 3.41Å; F96-Y100 VanDerWaalsContact CZ-CE2 3.41Å; F96-Y100 HydrophobicContact CZ-CG 4.35Å; F96-Y100 WeakPolarHBondContact O-CB 3.47Å; F96-Y100 WeakPolarHBondContact O-CD2 3.37Å; F96-Y100 PolarHBondContact O-N 3.32Å; F96-Y100 VanDerWaalsContact O-N 3.08Å; F96-L126 HydrophobicContact CB-CD1 4.5Å; F96-L126 HydrophobicContact CB-CD2 4.43Å; F96-L126 HydrophobicContact CD2-CB 3.85Å; F96-L126 HydrophobicContact CD2-CD1 4.34Å; F96-L126 HydrophobicContact CD2-CD2 4.2Å; F96-L126 HydrophobicContact CD2-CG 4.36Å; F96-L126 HydrophobicContact CE2-CB 4.08Å; F96-N127 HydrophobicContact CE2-CB 4.15Å
97	R	98.8	Very high	98.5	Very high	96 Å²	96	56.1 Å²	56.1	36%	0.362	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-46.5	179.4	-170.6	-175.3	-56.8	95.3	9.9	111.2	Y92 S93 D94 Y100 D101	Y92-R97 PolarHBondContact O-NH2 2.93Å; S93-R97 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact O-N 2.93Å; D94-R97 IonicContact OD1-NH1 3.81Å; R97-Y100 PolarHBondContact O-N 3.49Å; R97-D101 WeakPolarHBondContact O-CB 3.45Å; R97-D101 PolarHBondContact O-N 2.97Å
98	D	98.8	Very high	98.6	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.027	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-55.9	178.9	176.8	77.1	0	0	0	111.8	L65 Y66 R67 D94 K95 F96 Y100 D101 Y102	L65-D98 WeakPolarHBondContact CA-OD2 3.42Å; L65-D98 WeakPolarHBondContact CB-OD2 3.49Å; L65-D98 HydrophobicContact CD2-CB 3.85Å; Y66-D98 WeakPolarHBondContact CB-OD2 3.35Å; Y66-D98 PolarHBondContact N-OD2 3.02Å; R67-D98 WeakPolarHBondContact CG-OD1 3.28Å; R67-D98 PolarHBondContact N-OD1 2.89Å; R67-D98 IonicContact NH1-OD1 3.96Å; D94-D98 WeakPolarHBondContact O-CB 3.3Å; D94-D98 PolarHBondContact O-N 2.75Å; K95-D98 PolarHBondContact O-N 3.36Å; F96-D98 PolarHBondContact O-N 3.49Å; D98-Y100 VanDerWaalsContact C-N 3.32Å; D98-Y100 PolarHBondContact O-N 3.37Å; D98-D101 PolarHBondContact O-N 3.37Å; D98-Y102 WeakPolarHBondContact O-CD2 3.45Å; D98-Y102 PolarHBondContact O-N 3.24Å; D98-Y102 VanDerWaalsContact O-N 3.15Å
99	V	98.8	Very high	98.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.3	-45	178.1	172.5	0	0	0	0	111.6	L58 Y66 K95 Y102 F103 L119 D122 A123 L126	L58-V99 HydrophobicContact CD2-CG2 4.26Å; Y66-V99 HydrophobicContact CD2-CG2 3.9Å; Y66-V99 HydrophobicContact CE2-CG2 3.8Å; K95-V99 WeakPolarHBondContact O-CG2 3.2Å; K95-V99 PolarHBondContact O-N 2.88Å; V99-Y102 PolarHBondContact O-N 3.18Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 3.39Å; V99-L119 HydrophobicContact CG1-CD1 3.83Å; V99-D122 HydrophobicContact CG1-CB 4.12Å; V99-D122 HydrophobicContact CG2-CB 4.3Å; V99-A123 HydrophobicContact CG1-CB 3.88Å; V99-L126 HydrophobicContact CB-CD1 3.51Å; V99-L126 HydrophobicContact CG1-CD1 3.73Å; V99-L126 HydrophobicContact CG2-CD1 3.66Å
100	Y	98.9	Very high	98.6	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.027	27%	0.268	C	S	.	.	H	α-helix	trans	-74.8	-27.2	-177	-88.2	-81.5	0	0	0	113.9	F96 R97 D98 F103 R104 A123 L126 N130 V133	F96-Y100 AromaticContact CD1-CD2 3.74Å; F96-Y100 HydrophobicContact CD1-CD2 3.74Å; F96-Y100 HydrophobicContact CD1-CE2 4.39Å; F96-Y100 HydrophobicContact CD1-CG 4.45Å; F96-Y100 HydrophobicContact CD2-CD2 4.24Å; F96-Y100 HydrophobicContact CD2-CE2 4.18Å; F96-Y100 AromaticContact CE1-CD2 3.42Å; F96-Y100 HydrophobicContact CE1-CD2 3.42Å; F96-Y100 VanDerWaalsContact CE1-CD2 3.42Å; F96-Y100 AromaticContact CE1-CE2 3.84Å; F96-Y100 HydrophobicContact CE1-CE2 3.84Å; F96-Y100 AromaticContact CE1-CG 3.99Å; F96-Y100 HydrophobicContact CE1-CG 3.99Å; F96-Y100 AromaticContact CE2-CD2 3.96Å; F96-Y100 HydrophobicContact CE2-CD2 3.96Å; F96-Y100 AromaticContact CE2-CE2 3.61Å; F96-Y100 HydrophobicContact CE2-CE2 3.61Å; F96-Y100 HydrophobicContact CG-CD2 4.14Å; F96-Y100 AromaticContact CZ-CD2 3.54Å; F96-Y100 HydrophobicContact CZ-CD2 3.54Å; F96-Y100 AromaticContact CZ-CE2 3.41Å; F96-Y100 HydrophobicContact CZ-CE2 3.41Å; F96-Y100 VanDerWaalsContact CZ-CE2 3.41Å; F96-Y100 HydrophobicContact CZ-CG 4.35Å; F96-Y100 WeakPolarHBondContact O-CB 3.47Å; F96-Y100 WeakPolarHBondContact O-CD2 3.37Å; F96-Y100 PolarHBondContact O-N 3.32Å; F96-Y100 VanDerWaalsContact O-N 3.08Å; R97-Y100 PolarHBondContact O-N 3.49Å; D98-Y100 VanDerWaalsContact C-N 3.32Å; D98-Y100 PolarHBondContact O-N 3.37Å; Y100-F103 HydrophobicContact CD1-CD1 4.22Å; Y100-F103 HydrophobicContact CE1-CD1 4.4Å; Y100-F103 PolarHBondContact O-N 2.95Å; Y100-R104 VanDerWaalsContact C-NH2 3.31Å; Y100-R104 WeakPolarHBondContact O-CG 3.46Å; Y100-R104 PolarHBondContact O-N 2.97Å; Y100-R104 PolarHBondContact O-NE 2.87Å; Y100-R104 PolarHBondContact O-NH2 3.2Å; Y100-A123 PolarHBondContact OH-O 3.28Å; Y100-L126 HydrophobicContact CD2-CD1 4.45Å; Y100-L126 HydrophobicContact CE2-CB 4.11Å; Y100-L126 HydrophobicContact CE2-CD1 4.39Å; Y100-N130 VanDerWaalsContact CE1-ND2 3.26Å; Y100-N130 WeakPolarHBondContact CE1-ND2 3.19Å; Y100-N130 PolarHBondContact OH-ND2 2.96Å; Y100-V133 HydrophobicContact CE1-CG2 4.07Å
101	D	98.9	Very high	98.7	Very high	25 Å²	25	52.9 Å²	52.9	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-42.4	171.8	-74.7	-12.2	0	0	0	110.7	P77 V78 P79 R97 D98 R104 A105	P77-D101 HydrophobicContact CB-CB 3.76Å; V78-D101 PolarHBondContact N-O 2.95Å; V78-D101 WeakPolarHBondContact O-CA 3.44Å; P79-D101 WeakPolarHBondContact CA-OD1 3.27Å; R97-D101 WeakPolarHBondContact O-CB 3.45Å; R97-D101 PolarHBondContact O-N 2.97Å; D98-D101 PolarHBondContact O-N 3.37Å; D101-R104 PolarHBondContact O-N 2.89Å; D101-R104 IonicContact OD1-CZ 3.92Å; D101-R104 IonicContact OD1-NE 3.81Å; D101-R104 IonicContact OD1-NH2 2.61Å; D101-R104 PolarHBondContact OD1-NH2 3.03Å; D101-A105 PolarHBondContact O-N 3.1Å; D101-A105 VanDerWaalsContact O-N 3.11Å
102	Y	98.9	Very high	98.7	Very high	10 Å²	10	52 Å²	52	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-36.5	173.9	-83.6	-84.7	0	0	0	112.5	Y66 R67 W72 I75 P77 D98 V99 R104 A105 V106	Y66-Y102 HydrophobicContact CD1-CG 4.49Å; Y66-Y102 HydrophobicContact CG-CD2 4.29Å; Y66-Y102 HydrophobicContact CG-CG 4.32Å; R67-Y102 VanDerWaalsContact CA-OH 3.28Å; R67-Y102 WeakPolarHBondContact CA-OH 3.42Å; R67-Y102 HydrophobicContact CB-CE2 4Å; R67-Y102 VanDerWaalsContact N-CE2 3.32Å; W72-Y102 HydrophobicContact CB-CE1 3.96Å; W72-Y102 HydrophobicContact CD2-CD1 4.13Å; W72-Y102 HydrophobicContact CD2-CE1 4.4Å; W72-Y102 AromaticContact CE3-CD1 3.35Å; W72-Y102 HydrophobicContact CE3-CD1 3.35Å; W72-Y102 AromaticContact CE3-CE1 3.82Å; W72-Y102 HydrophobicContact CE3-CE1 3.82Å; W72-Y102 HydrophobicContact CE3-CG 4.31Å; W72-Y102 HydrophobicContact CG-CE1 4.5Å; W72-Y102 AromaticContact CZ3-CD1 3.86Å; W72-Y102 HydrophobicContact CZ3-CD1 3.86Å; I75-Y102 HydrophobicContact CG2-CD1 4.06Å; I75-Y102 HydrophobicContact CG2-CE1 3.84Å; P77-Y102 HydrophobicContact CB-CD2 4.19Å; P77-Y102 HydrophobicContact CB-CE2 3.93Å; P77-Y102 HydrophobicContact CG-CE2 4.3Å; D98-Y102 WeakPolarHBondContact O-CD2 3.45Å; D98-Y102 PolarHBondContact O-N 3.24Å; D98-Y102 VanDerWaalsContact O-N 3.15Å; V99-Y102 PolarHBondContact O-N 3.18Å; Y102-R104 VanDerWaalsContact C-N 3.35Å; Y102-R104 PolarHBondContact O-N 2.94Å; Y102-A105 WeakPolarHBondContact O-CB 3.46Å; Y102-A105 PolarHBondContact O-N 3.44Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; Y102-V106 PolarHBondContact O-N 3.41Å
103	F	98.9	Very high	98.7	Very high	7 Å²	7	51 Å²	51	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-44.8	174.4	175	-105.1	0	0	0	111.2	V99 Y100 A105 V106 L107 L119 T120 T132 V133 F136	V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 3.39Å; Y100-F103 HydrophobicContact CD1-CD1 4.22Å; Y100-F103 HydrophobicContact CE1-CD1 4.4Å; Y100-F103 PolarHBondContact O-N 2.95Å; F103-A105 VanDerWaalsContact C-N 3.28Å; F103-A105 PolarHBondContact O-N 3.35Å; F103-V106 HydrophobicContact CD2-CG2 4.47Å; F103-V106 VanDerWaalsContact O-CG2 3.28Å; F103-V106 WeakPolarHBondContact O-CG2 3.31Å; F103-V106 PolarHBondContact O-N 3.01Å; F103-L107 HydrophobicContact CE1-CD2 3.89Å; F103-L107 HydrophobicContact CZ-CB 4.47Å; F103-L107 HydrophobicContact CZ-CD2 4.02Å; F103-L107 WeakPolarHBondContact O-CB 3.25Å; F103-L107 PolarHBondContact O-N 3.43Å; F103-L119 HydrophobicContact CB-CD2 4.4Å; F103-T120 HydrophobicContact CE2-CG2 4.4Å; F103-T132 HydrophobicContact CE1-CG2 4.3Å; F103-T132 HydrophobicContact CZ-CG2 4.24Å; F103-V133 HydrophobicContact CD1-CG2 4.04Å; F103-V133 HydrophobicContact CD2-CG2 4.18Å; F103-V133 HydrophobicContact CE1-CG2 3.64Å; F103-V133 HydrophobicContact CE2-CB 4.16Å; F103-V133 HydrophobicContact CE2-CG1 4.17Å; F103-V133 HydrophobicContact CE2-CG2 3.8Å; F103-V133 HydrophobicContact CG-CG2 4.29Å; F103-V133 HydrophobicContact CZ-CB 4.06Å; F103-V133 HydrophobicContact CZ-CG2 3.52Å; F103-F136 HydrophobicContact CE2-CB 4.23Å; F103-F136 AromaticContact CE2-CD1 3.93Å; F103-F136 HydrophobicContact CE2-CD1 3.93Å; F103-F136 HydrophobicContact CE2-CG 4.42Å; F103-F136 HydrophobicContact CZ-CB 4.39Å
104	R	98.9	Very high	98.7	Very high	43 Å²	43	51.4 Å²	51.4	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-40.4	174	-79.5	179.6	-77.4	-87.4	0.3	111.8	V78 Y100 D101 Y102 L107 Q108	V78-R104 HydrophobicContact CB-CB 3.81Å; V78-R104 HydrophobicContact CG1-CB 4.03Å; V78-R104 WeakPolarHBondContact O-CB 3.49Å; V78-R104 WeakPolarHBondContact O-CD 3.29Å; V78-R104 PolarHBondContact O-NE 3.46Å; Y100-R104 VanDerWaalsContact C-NH2 3.31Å; Y100-R104 WeakPolarHBondContact O-CG 3.46Å; Y100-R104 PolarHBondContact O-N 2.97Å; Y100-R104 PolarHBondContact O-NE 2.87Å; Y100-R104 PolarHBondContact O-NH2 3.2Å; D101-R104 PolarHBondContact O-N 2.89Å; D101-R104 IonicContact OD1-CZ 3.92Å; D101-R104 IonicContact OD1-NE 3.81Å; D101-R104 IonicContact OD1-NH2 2.61Å; D101-R104 PolarHBondContact OD1-NH2 3.03Å; Y102-R104 VanDerWaalsContact C-N 3.35Å; Y102-R104 PolarHBondContact O-N 2.94Å; R104-L107 PolarHBondContact O-N 3.1Å; R104-Q108 VanDerWaalsContact O-CB 3.22Å; R104-Q108 WeakPolarHBondContact O-CB 3.29Å; R104-Q108 PolarHBondContact O-N 2.77Å
105	A	98.9	Very high	98.7	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-50.7	178.6	0	0	0	0	0	112.3	I75 D76 V78 D101 Y102 F103 L107 Q108 R109	I75-A105 HydrophobicContact CD1-CB 3.65Å; I75-A105 HydrophobicContact CG1-CB 3.86Å; D76-A105 WeakPolarHBondContact O-CB 3.38Å; V78-A105 HydrophobicContact CB-CB 4.35Å; V78-A105 HydrophobicContact CG2-CB 3.83Å; D101-A105 PolarHBondContact O-N 3.1Å; D101-A105 VanDerWaalsContact O-N 3.11Å; Y102-A105 WeakPolarHBondContact O-CB 3.46Å; Y102-A105 PolarHBondContact O-N 3.44Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; F103-A105 VanDerWaalsContact C-N 3.28Å; F103-A105 PolarHBondContact O-N 3.35Å; A105-L107 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.99Å; A105-Q108 PolarHBondContact O-N 3.32Å; A105-R109 WeakPolarHBondContact O-CG 3.33Å; A105-R109 PolarHBondContact O-N 3.25Å; A105-R109 VanDerWaalsContact O-N 3.16Å
106	V	98.9	Very high	98.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-35.7	179.2	-60.6	0	0	0	0	112.1	W72 I75 Y102 F103 R109 D110 E111 A116 L119 F136	W72-V106 HydrophobicContact CH2-CG1 3.83Å; W72-V106 HydrophobicContact CZ3-CG1 3.59Å; I75-V106 HydrophobicContact CD1-CG1 3.9Å; Y102-V106 PolarHBondContact O-N 3.41Å; F103-V106 HydrophobicContact CD2-CG2 4.47Å; F103-V106 VanDerWaalsContact O-CG2 3.28Å; F103-V106 WeakPolarHBondContact O-CG2 3.31Å; F103-V106 PolarHBondContact O-N 3.01Å; V106-R109 PolarHBondContact O-N 2.94Å; V106-D110 PolarHBondContact O-N 3.41Å; V106-D110 VanDerWaalsContact O-N 3.07Å; V106-E111 HydrophobicContact CB-CB 4.11Å; V106-E111 HydrophobicContact CG1-CB 4.39Å; V106-E111 PolarHBondContact O-N 2.9Å; V106-A116 HydrophobicContact CB-CB 4.17Å; V106-A116 HydrophobicContact CG1-CB 4.21Å; V106-A116 HydrophobicContact CG2-CB 4.28Å; V106-L119 HydrophobicContact CG1-CD2 4.27Å; V106-L119 HydrophobicContact CG2-CD2 3.87Å; V106-F136 HydrophobicContact CB-CE1 4.5Å; V106-F136 HydrophobicContact CG2-CE1 3.93Å
107	L	98.8	Very high	98.7	Very high	64 Å²	64	46.2 Å²	46.2	34%	0.335	20%	0.203	S	C	.	.	H	α-helix	trans	-67	-44.5	177.5	-177.4	65.2	0	0	0	111.3	F103 R104 A105 R109 D110 T132 F136	F103-L107 HydrophobicContact CE1-CD2 3.89Å; F103-L107 HydrophobicContact CZ-CB 4.47Å; F103-L107 HydrophobicContact CZ-CD2 4.02Å; F103-L107 WeakPolarHBondContact O-CB 3.25Å; F103-L107 PolarHBondContact O-N 3.43Å; R104-L107 PolarHBondContact O-N 3.1Å; A105-L107 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.99Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 3.09Å; L107-D110 PolarHBondContact O-N 2.97Å; L107-D110 VanDerWaalsContact O-N 3.1Å; L107-T132 HydrophobicContact CD2-CG2 3.72Å; L107-F136 HydrophobicContact CD1-CB 4.25Å; L107-F136 HydrophobicContact CD1-CD2 3.72Å; L107-F136 HydrophobicContact CD1-CE2 4.2Å; L107-F136 HydrophobicContact CD1-CG 3.96Å
108	Q	98.6	Very high	98.7	Very high	149 Å²	149	44.8 Å²	44.8	70%	0.696	20%	0.2	S	C	*	.	H	α-helix	trans	-63.7	-32.6	178.7	-178.5	175.9	-31.2	0	0	112.3	R104 A105	R104-Q108 VanDerWaalsContact O-CB 3.22Å; R104-Q108 WeakPolarHBondContact O-CB 3.29Å; R104-Q108 PolarHBondContact O-N 2.77Å; A105-Q108 PolarHBondContact O-N 3.32Å
109	R	98.6	Very high	98.7	Very high	154 Å²	154	44.6 Å²	44.6	58%	0.581	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.9	176.3	-63	178.5	87.8	178.7	7.9	113.5	A105 V106 L107 E111	A105-R109 WeakPolarHBondContact O-CG 3.33Å; A105-R109 PolarHBondContact O-N 3.25Å; A105-R109 VanDerWaalsContact O-N 3.16Å; V106-R109 PolarHBondContact O-N 2.94Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 3.09Å; R109-E111 HydrophobicContact CB-CB 4.37Å; R109-E111 PolarHBondContact O-N 3.49Å
110	D	98.7	Very high	98.7	Very high	77 Å²	77	44.6 Å²	44.6	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	45.6	-164.7	-171.3	25.2	0	0	0	111.2	V106 L107 R112	V106-D110 PolarHBondContact O-N 3.41Å; V106-D110 VanDerWaalsContact O-N 3.07Å; L107-D110 PolarHBondContact O-N 2.97Å; L107-D110 VanDerWaalsContact O-N 3.1Å; D110-R112 WeakPolarHBondContact O-CG 3.46Å; D110-R112 PolarHBondContact O-N 3.3Å; D110-R112 VanDerWaalsContact O-N 3.09Å; D110-R112 IonicContact OD1-CZ 3.18Å; D110-R112 IonicContact OD1-NE 3.84Å; D110-R112 PolarHBondContact OD1-NE 3.17Å; D110-R112 VanDerWaalsContact OD1-NE 3.14Å; D110-R112 IonicContact OD1-NH2 3.03Å; D110-R112 IonicContact OD2-CZ 3.46Å; D110-R112 IonicContact OD2-NE 3.91Å; D110-R112 PolarHBondContact OD2-NE 3.41Å; D110-R112 IonicContact OD2-NH2 2.82Å; D110-R112 PolarHBondContact OD2-NH2 3.14Å
111	E	98.8	Very high	98.7	Very high	30 Å²	30	46.4 Å²	46.4	14%	0.14	21%	0.205	C	C	.	.			trans	-73.8	104.3	-175.8	-169.1	-168.5	118.7	0	0	110.3	V106 R109 S113 R115 A116	V106-E111 HydrophobicContact CB-CB 4.11Å; V106-E111 HydrophobicContact CG1-CB 4.39Å; V106-E111 PolarHBondContact O-N 2.9Å; R109-E111 HydrophobicContact CB-CB 4.37Å; R109-E111 PolarHBondContact O-N 3.49Å; E111-S113 PolarHBondContact O-N 3.38Å; E111-S113 WeakPolarHBondContact OE1-CB 3.33Å; E111-S113 PolarHBondContact OE1-OG 3.39Å; E111-R115 IonicContact OE1-CZ 3.13Å; E111-R115 IonicContact OE1-NE 2.69Å; E111-R115 PolarHBondContact OE1-NE 3.38Å; E111-R115 IonicContact OE1-NH2 3.78Å; E111-R115 PolarHBondContact OE1-NH2 2.88Å; E111-R115 IonicContact OE2-CZ 3.99Å; E111-R115 IonicContact OE2-NE 2.7Å; E111-R115 IonicContact OE2-NH2 3.78Å; E111-R115 PolarHBondContact OE2-NH2 2.94Å; E111-A116 WeakPolarHBondContact O-CB 3.3Å
112	R	98.7	Very high	98.6	Very high	126 Å²	126	45.2 Å²	45.2	48%	0.475	20%	0.199	S	C	.	.			trans	-93.7	77.4	179.5	-51.1	-166.1	-169.1	167.5	9.8	111.3	D110 L140 S143 L144	D110-R112 WeakPolarHBondContact O-CG 3.46Å; D110-R112 PolarHBondContact O-N 3.3Å; D110-R112 VanDerWaalsContact O-N 3.09Å; D110-R112 IonicContact OD1-CZ 3.18Å; D110-R112 IonicContact OD1-NE 3.84Å; D110-R112 PolarHBondContact OD1-NE 3.17Å; D110-R112 VanDerWaalsContact OD1-NE 3.14Å; D110-R112 IonicContact OD1-NH2 3.03Å; D110-R112 IonicContact OD2-CZ 3.46Å; D110-R112 IonicContact OD2-NE 3.91Å; D110-R112 PolarHBondContact OD2-NE 3.41Å; D110-R112 IonicContact OD2-NH2 2.82Å; D110-R112 PolarHBondContact OD2-NH2 3.14Å; R112-L140 HydrophobicContact CB-CD2 3.98Å; R112-L140 HydrophobicContact CG-CD2 4.18Å; R112-S143 VanDerWaalsContact CD-OG 3.25Å; R112-S143 WeakPolarHBondContact CD-OG 3.37Å; R112-S143 PolarHBondContact NH1-OG 3.44Å; R112-S143 VanDerWaalsContact NH1-OG 3.14Å; R112-L144 WeakPolarHBondContact O-CD2 3.3Å
113	S	98.8	Very high	98.6	Very high	26 Å²	26	44.8 Å²	44.8	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	-127	160.8	-175.5	69.8	0	0	0	0	112.1	E111 R115 A116 F117 L144	E111-S113 PolarHBondContact O-N 3.38Å; E111-S113 WeakPolarHBondContact OE1-CB 3.33Å; E111-S113 PolarHBondContact OE1-OG 3.39Å; S113-R115 VanDerWaalsContact C-N 3.27Å; S113-R115 PolarHBondContact O-N 3.38Å; S113-R115 WeakPolarHBondContact OG-CG 3.33Å; S113-A116 PolarHBondContact O-N 2.95Å; S113-A116 WeakPolarHBondContact OG-CB 3.41Å; S113-A116 PolarHBondContact OG-N 3.29Å; S113-A116 VanDerWaalsContact OG-N 3.16Å; S113-F117 PolarHBondContact O-N 3.24Å; S113-L144 WeakPolarHBondContact O-CD1 3.5Å
114	E	98.4	Very high	98.6	Very high	75 Å²	75	44.4 Å²	44.4	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-61.8	-36.3	175.4	-173.8	60.6	-155.7	0	0	111.8	F117 K118 K146	E114-F117 WeakPolarHBondContact O-CB 3.41Å; E114-F117 PolarHBondContact O-N 3.25Å; E114-K118 WeakPolarHBondContact O-CG 3.4Å; E114-K118 PolarHBondContact O-N 3.44Å; E114-K146 IonicContact OE1-NZ 3.96Å; E114-K146 PolarHBondContact OE1-NZ 2.73Å; E114-K146 IonicContact OE2-NZ 2.89Å; E114-K146 PolarHBondContact OE2-NZ 2.96Å
115	R	98	Very high	98.5	Very high	55 Å²	55	45.4 Å²	45.4	21%	0.208	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-39.5	176.2	67.4	171.6	-177.8	-167	1.7	112.1	E71 W72 D74 E111 S113 F117 K118 L119	E71-R115 PolarHBondContact O-NH1 3.25Å; W72-R115 HydrophobicContact CH2-CB 4.32Å; W72-R115 HydrophobicContact CH2-CG 4.02Å; W72-R115 HydrophobicContact CZ2-CB 3.68Å; W72-R115 HydrophobicContact CZ2-CG 3.86Å; W72-R115 WeakPolarHBondContact CZ2-O 3.28Å; D74-R115 VanDerWaalsContact CG-NH1 3.29Å; D74-R115 IonicContact OD1-CZ 3.74Å; D74-R115 IonicContact OD1-NH1 3.97Å; D74-R115 PolarHBondContact OD1-NH1 3.45Å; D74-R115 IonicContact OD1-NH2 2.97Å; D74-R115 IonicContact OD2-CZ 3.92Å; D74-R115 IonicContact OD2-NH1 3.25Å; D74-R115 PolarHBondContact OD2-NH1 2.95Å; D74-R115 VanDerWaalsContact OD2-NH1 3.13Å; D74-R115 IonicContact OD2-NH2 3.63Å; D74-R115 PolarHBondContact OD2-NH2 2.85Å; E111-R115 IonicContact OE1-CZ 3.13Å; E111-R115 IonicContact OE1-NE 2.69Å; E111-R115 PolarHBondContact OE1-NE 3.38Å; E111-R115 IonicContact OE1-NH2 3.78Å; E111-R115 PolarHBondContact OE1-NH2 2.88Å; E111-R115 IonicContact OE2-CZ 3.99Å; E111-R115 IonicContact OE2-NE 2.7Å; E111-R115 IonicContact OE2-NH2 3.78Å; E111-R115 PolarHBondContact OE2-NH2 2.94Å; S113-R115 VanDerWaalsContact C-N 3.27Å; S113-R115 PolarHBondContact O-N 3.38Å; S113-R115 WeakPolarHBondContact OG-CG 3.33Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.91Å; R115-K118 PolarHBondContact O-N 3.01Å; R115-L119 WeakPolarHBondContact O-CB 3.37Å; R115-L119 PolarHBondContact O-N 3.41Å
116	A	98.8	Very high	98.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-39	173.9	0	0	0	0	0	111.1	V106 E111 S113 L119 T120 F136 L140	V106-A116 HydrophobicContact CB-CB 4.17Å; V106-A116 HydrophobicContact CG1-CB 4.21Å; V106-A116 HydrophobicContact CG2-CB 4.28Å; E111-A116 WeakPolarHBondContact O-CB 3.3Å; S113-A116 PolarHBondContact O-N 2.95Å; S113-A116 WeakPolarHBondContact OG-CB 3.41Å; S113-A116 PolarHBondContact OG-N 3.29Å; S113-A116 VanDerWaalsContact OG-N 3.16Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 3.44Å; A116-T120 WeakPolarHBondContact O-CG2 3.47Å; A116-T120 PolarHBondContact O-N 3.33Å; A116-F136 HydrophobicContact CB-CE1 4.34Å; A116-L140 HydrophobicContact CB-CD1 4.18Å
117	F	98.8	Very high	98.5	Very high	19 Å²	19	50.6 Å²	50.6	8%	0.083	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-47.2	175.2	178.1	-106.6	0	0	0	111.7	S113 E114 R115 L119 T120 R137 L140 L141 L144 K146	S113-F117 PolarHBondContact O-N 3.24Å; E114-F117 WeakPolarHBondContact O-CB 3.41Å; E114-F117 PolarHBondContact O-N 3.25Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.91Å; F117-L119 PolarHBondContact O-N 2.95Å; F117-T120 PolarHBondContact O-N 3.15Å; F117-T120 PolarHBondContact O-OG1 3.08Å; F117-R137 HydrophobicContact CD2-CG 4.37Å; F117-R137 HydrophobicContact CE2-CG 4.03Å; F117-R137 VanDerWaalsContact CE2-CZ 3.47Å; F117-R137 PolarHBondContact O-NH1 3.19Å; F117-L140 HydrophobicContact CB-CB 4.42Å; F117-L140 HydrophobicContact CB-CD1 4.09Å; F117-L140 HydrophobicContact CD2-CB 4.03Å; F117-L141 HydrophobicContact CE2-CD2 3.49Å; F117-L141 VanDerWaalsContact CE2-CD2 3.49Å; F117-L141 HydrophobicContact CE2-CG 3.95Å; F117-L141 HydrophobicContact CZ-CD2 3.79Å; F117-L144 HydrophobicContact CB-CD1 3.84Å; F117-L144 HydrophobicContact CG-CD1 4.46Å; F117-K146 HydrophobicContact CD1-CD 4.36Å; F117-K146 HydrophobicContact CE1-CD 4.34Å; F117-K146 HydrophobicContact CE1-CG 4.38Å; F117-K146 HydrophobicContact CE2-CG 4.3Å; F117-K146 HydrophobicContact CZ-CG 4.2Å
118	K	98.3	Very high	98.4	Very high	67 Å²	67	47.6 Å²	47.6	29%	0.291	21%	0.214	S	C	.	.	H	α-helix	trans	-60.1	-42.4	174.2	-73.7	-173.2	176.5	-160.1	0	112.4	D53 F55 E114 R115 T120 R121	D53-K118 IonicContact OD2-NZ 2.73Å; D53-K118 PolarHBondContact OD2-NZ 3.31Å; F55-K118 HydrophobicContact CD2-CB 4.44Å; F55-K118 HydrophobicContact CD2-CD 4.31Å; F55-K118 HydrophobicContact CD2-CG 4.33Å; F55-K118 HydrophobicContact CE2-CB 3.97Å; F55-K118 HydrophobicContact CE2-CG 4.31Å; E114-K118 WeakPolarHBondContact O-CG 3.4Å; E114-K118 PolarHBondContact O-N 3.44Å; R115-K118 PolarHBondContact O-N 3.01Å; K118-T120 VanDerWaalsContact C-N 3.29Å; K118-T120 PolarHBondContact O-N 2.82Å; K118-R121 VanDerWaalsContact O-CB 3.29Å; K118-R121 WeakPolarHBondContact O-CB 3.39Å; K118-R121 PolarHBondContact O-N 2.89Å; K118-R121 VanDerWaalsContact O-N 3.08Å
119	L	98.6	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-36.6	175.1	171.2	66.6	0	0	0	113.1	Y66 W72 V99 F103 V106 R115 A116 F117 R121 D122 A123	Y66-L119 HydrophobicContact CD1-CD1 4.04Å; Y66-L119 HydrophobicContact CD2-CD1 4.26Å; Y66-L119 HydrophobicContact CE1-CB 4.08Å; Y66-L119 HydrophobicContact CE1-CD1 3.53Å; Y66-L119 HydrophobicContact CE1-CG 4.31Å; Y66-L119 HydrophobicContact CE2-CD1 3.79Å; Y66-L119 HydrophobicContact CG-CD1 4.39Å; Y66-L119 WeakPolarHBondContact OH-CA 3.19Å; W72-L119 HydrophobicContact CH2-CB 3.96Å; W72-L119 HydrophobicContact CH2-CD2 3.53Å; W72-L119 HydrophobicContact CH2-CG 4.32Å; W72-L119 HydrophobicContact CZ2-CB 3.93Å; W72-L119 HydrophobicContact CZ2-CD2 4.23Å; W72-L119 HydrophobicContact CZ3-CD2 4.09Å; V99-L119 HydrophobicContact CG1-CD1 3.83Å; F103-L119 HydrophobicContact CB-CD2 4.4Å; V106-L119 HydrophobicContact CG1-CD2 4.27Å; V106-L119 HydrophobicContact CG2-CD2 3.87Å; R115-L119 WeakPolarHBondContact O-CB 3.37Å; R115-L119 PolarHBondContact O-N 3.41Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 3.44Å; F117-L119 PolarHBondContact O-N 2.95Å; L119-R121 PolarHBondContact O-N 3.4Å; L119-D122 PolarHBondContact O-N 2.93Å; L119-A123 PolarHBondContact O-N 3.12Å
120	T	98.8	Very high	98.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-26.6	177.6	63.6	0	0	0	0	113.1	F103 A116 F117 K118 A123 I124 V133 F136 R137 L140	F103-T120 HydrophobicContact CE2-CG2 4.4Å; A116-T120 WeakPolarHBondContact O-CG2 3.47Å; A116-T120 PolarHBondContact O-N 3.33Å; F117-T120 PolarHBondContact O-N 3.15Å; F117-T120 PolarHBondContact O-OG1 3.08Å; K118-T120 VanDerWaalsContact C-N 3.29Å; K118-T120 PolarHBondContact O-N 2.82Å; T120-A123 PolarHBondContact O-N 2.97Å; T120-I124 WeakPolarHBondContact O-CB 3.47Å; T120-I124 WeakPolarHBondContact O-CD1 3.39Å; T120-I124 WeakPolarHBondContact O-CG1 3.25Å; T120-I124 PolarHBondContact O-N 3.32Å; T120-V133 HydrophobicContact CG2-CG1 4.12Å; T120-F136 HydrophobicContact CG2-CD1 4.06Å; T120-R137 HydrophobicContact CG2-CB 4.29Å; T120-R137 PolarHBondContact OG1-NH1 3.43Å; T120-L140 HydrophobicContact CG2-CD1 4.01Å
121	R	98.4	Very high	98.4	Very high	46 Å²	46	41.3 Å²	41.3	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-50.3	175.3	-178.2	171.3	177.9	-174.2	7.7	110.7	F55 K118 L119 A123 I124 E125 Y154	F55-R121 VanDerWaalsContact CD1-NH1 3.31Å; F55-R121 HydrophobicContact CE1-CG 4.05Å; F55-R121 HydrophobicContact CE2-CB 4.45Å; F55-R121 HydrophobicContact CZ-CB 3.92Å; F55-R121 HydrophobicContact CZ-CG 3.84Å; K118-R121 VanDerWaalsContact O-CB 3.29Å; K118-R121 WeakPolarHBondContact O-CB 3.39Å; K118-R121 PolarHBondContact O-N 2.89Å; K118-R121 VanDerWaalsContact O-N 3.08Å; L119-R121 PolarHBondContact O-N 3.4Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 2.99Å; R121-I124 PolarHBondContact O-N 3.22Å; R121-E125 PolarHBondContact O-N 2.94Å; R121-Y154 HydrophobicContact CG-CE2 3.85Å
122	D	98.2	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-41.9	176.5	-68.3	-8	0	0	0	111.6	F55 L58 Y66 R69 V99 L119 I124 E125 L126	F55-D122 WeakPolarHBondContact CZ-OD1 3.48Å; L58-D122 HydrophobicContact CD1-CB 3.89Å; L58-D122 WeakPolarHBondContact CD1-O 3.47Å; L58-D122 HydrophobicContact CD2-CB 4.26Å; L58-D122 HydrophobicContact CG-CB 4.07Å; Y66-D122 HydrophobicContact CE2-CB 4.47Å; Y66-D122 WeakPolarHBondContact CE2-OD2 3.37Å; Y66-D122 VanDerWaalsContact CZ-OD2 3.26Å; Y66-D122 PolarHBondContact OH-OD2 3.32Å; R69-D122 IonicContact NH2-OD2 3.81Å; V99-D122 HydrophobicContact CG1-CB 4.12Å; V99-D122 HydrophobicContact CG2-CB 4.3Å; L119-D122 PolarHBondContact O-N 2.93Å; D122-I124 VanDerWaalsContact C-N 3.29Å; D122-I124 PolarHBondContact O-N 3.09Å; D122-E125 PolarHBondContact O-N 3.23Å; D122-L126 WeakPolarHBondContact O-CG 3.31Å; D122-L126 PolarHBondContact O-N 2.93Å
123	A	98.6	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-33.9	178.8	0	0	0	0	0	112.7	V99 Y100 L119 T120 R121 N127 V133	V99-A123 HydrophobicContact CG1-CB 3.88Å; Y100-A123 PolarHBondContact OH-O 3.28Å; L119-A123 PolarHBondContact O-N 3.12Å; T120-A123 PolarHBondContact O-N 2.97Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 2.99Å; A123-N127 PolarHBondContact O-N 3.49Å; A123-V133 HydrophobicContact CB-CG1 3.83Å; A123-V133 HydrophobicContact CB-CG2 4.03Å
124	I	98.6	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-45.8	173.9	-74.6	161.6	0	0	0	110.8	T120 R121 D122 L126 N127 A128 V133 W134 Y154	T120-I124 WeakPolarHBondContact O-CB 3.47Å; T120-I124 WeakPolarHBondContact O-CD1 3.39Å; T120-I124 WeakPolarHBondContact O-CG1 3.25Å; T120-I124 PolarHBondContact O-N 3.32Å; R121-I124 PolarHBondContact O-N 3.22Å; D122-I124 VanDerWaalsContact C-N 3.29Å; D122-I124 PolarHBondContact O-N 3.09Å; I124-L126 VanDerWaalsContact C-N 3.28Å; I124-L126 PolarHBondContact O-N 2.68Å; I124-N127 CarbonylContact O-C 3.59Å; I124-N127 PolarHBondContact O-N 3.47Å; I124-N127 VanDerWaalsContact O-N 3.1Å; I124-A128 HydrophobicContact CG2-CB 4.07Å; I124-A128 WeakPolarHBondContact O-CA 3.42Å; I124-A128 PolarHBondContact O-N 3.37Å; I124-V133 HydrophobicContact CD1-CG1 4.23Å; I124-V133 HydrophobicContact CG1-CG1 3.73Å; I124-W134 HydrophobicContact CB-CZ2 4.3Å; I124-W134 HydrophobicContact CD1-CD2 3.84Å; I124-W134 HydrophobicContact CD1-CE3 3.76Å; I124-W134 HydrophobicContact CD1-CH2 3.74Å; I124-W134 HydrophobicContact CD1-CZ2 3.83Å; I124-W134 HydrophobicContact CD1-CZ3 3.7Å; I124-W134 HydrophobicContact CG1-CD2 4.17Å; I124-W134 HydrophobicContact CG1-CH2 4.36Å; I124-W134 HydrophobicContact CG1-CZ2 3.95Å; I124-W134 HydrophobicContact CG2-CH2 3.87Å; I124-W134 HydrophobicContact CG2-CZ2 3.35Å; I124-Y154 WeakPolarHBondContact CG2-OH 3.34Å
125	E	97.3	Very high	98.4	Very high	63 Å²	63	36.6 Å²	36.6	29%	0.294	18%	0.176	S	C	.	.	H	α-helix	trans	-60.2	-39.4	178.6	-178.8	176.5	168.8	0	0	111.3	L58 R121 D122 N127	L58-E125 HydrophobicContact CD1-CB 3.81Å; L58-E125 HydrophobicContact CD1-CG 3.83Å; R121-E125 PolarHBondContact O-N 2.94Å; D122-E125 PolarHBondContact O-N 3.23Å; E125-N127 PolarHBondContact O-N 3.32Å
126	L	97.7	Very high	98.5	Very high	49 Å²	49	34.2 Å²	34.2	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-68.6	-30.9	174.1	-72.6	170.3	0	0	0	114.5	L58 F96 V99 Y100 D122 I124	L58-L126 HydrophobicContact CD1-CD1 4.32Å; L58-L126 HydrophobicContact CD1-CD2 4.11Å; L58-L126 HydrophobicContact CD1-CG 3.69Å; F96-L126 HydrophobicContact CB-CD1 4.5Å; F96-L126 HydrophobicContact CB-CD2 4.43Å; F96-L126 HydrophobicContact CD2-CB 3.85Å; F96-L126 HydrophobicContact CD2-CD1 4.34Å; F96-L126 HydrophobicContact CD2-CD2 4.2Å; F96-L126 HydrophobicContact CD2-CG 4.36Å; F96-L126 HydrophobicContact CE2-CB 4.08Å; V99-L126 HydrophobicContact CB-CD1 3.51Å; V99-L126 HydrophobicContact CG1-CD1 3.73Å; V99-L126 HydrophobicContact CG2-CD1 3.66Å; Y100-L126 HydrophobicContact CD2-CD1 4.45Å; Y100-L126 HydrophobicContact CE2-CB 4.11Å; Y100-L126 HydrophobicContact CE2-CD1 4.39Å; D122-L126 WeakPolarHBondContact O-CG 3.31Å; D122-L126 PolarHBondContact O-N 2.93Å; I124-L126 VanDerWaalsContact C-N 3.28Å; I124-L126 PolarHBondContact O-N 2.68Å
127	N	98.2	Very high	98.5	Very high	62 Å²	62	34.5 Å²	34.5	33%	0.332	17%	0.168	S	C	.	.			trans	-163.5	90.8	176.5	177.1	10.5	0	0	0	111.3	F96 A123 I124 E125 A129 N130	F96-N127 HydrophobicContact CE2-CB 4.15Å; A123-N127 PolarHBondContact O-N 3.49Å; I124-N127 CarbonylContact O-C 3.59Å; I124-N127 PolarHBondContact O-N 3.47Å; I124-N127 VanDerWaalsContact O-N 3.1Å; E125-N127 PolarHBondContact O-N 3.32Å; N127-A129 PolarHBondContact O-N 3.39Å; N127-A129 VanDerWaalsContact O-N 3.1Å; N127-A129 WeakPolarHBondContact OD1-CB 3.39Å; N127-A129 PolarHBondContact OD1-N 2.98Å; N127-N130 WeakPolarHBondContact O-CB 3.42Å; N127-N130 PolarHBondContact O-N 2.89Å; N127-N130 VanDerWaalsContact O-N 3.08Å
128	A	98	Very high	98.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.6	-178.1	0	0	0	0	0	112.6	I124 N130 W134 N165	I124-A128 HydrophobicContact CG2-CB 4.07Å; I124-A128 WeakPolarHBondContact O-CA 3.42Å; I124-A128 PolarHBondContact O-N 3.37Å; A128-N130 VanDerWaalsContact C-N 3.26Å; A128-W134 PolarHBondContact O-NE1 2.63Å; A128-N165 PolarHBondContact O-ND2 3.5Å
129	A	98.1	Very high	98.5	Very high	49 Å²	49	33.8 Å²	33.8	41%	0.405	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.1	174.2	0	0	0	0	0	113	N127 Y131 N165	N127-A129 PolarHBondContact O-N 3.39Å; N127-A129 VanDerWaalsContact O-N 3.1Å; N127-A129 WeakPolarHBondContact OD1-CB 3.39Å; N127-A129 PolarHBondContact OD1-N 2.98Å; A129-Y131 PolarHBondContact O-N 2.81Å; A129-N165 WeakPolarHBondContact CA-ND2 3.27Å; A129-N165 PolarHBondContact N-ND2 3.44Å
130	N	98.8	Very high	98.5	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.193	17%	0.166	C	C	.	.			trans	-74	92	178.5	-164.6	-40.5	0	0	0	111.9	Y100 N127 A128 T132 V133 W134	Y100-N130 VanDerWaalsContact CE1-ND2 3.26Å; Y100-N130 WeakPolarHBondContact CE1-ND2 3.19Å; Y100-N130 PolarHBondContact OH-ND2 2.96Å; N127-N130 WeakPolarHBondContact O-CB 3.42Å; N127-N130 PolarHBondContact O-N 2.89Å; N127-N130 VanDerWaalsContact O-N 3.08Å; A128-N130 VanDerWaalsContact C-N 3.26Å; N130-T132 PolarHBondContact O-N 3.29Å; N130-T132 WeakPolarHBondContact OD1-CB 3.44Å; N130-T132 PolarHBondContact OD1-N 3.1Å; N130-T132 VanDerWaalsContact OD1-N 3.14Å; N130-V133 HydrophobicContact CB-CB 4.37Å; N130-V133 HydrophobicContact CB-CG2 3.94Å; N130-V133 PolarHBondContact O-N 2.67Å; N130-V133 PolarHBondContact OD1-N 2.9Å; N130-W134 VanDerWaalsContact O-CD1 3.29Å; N130-W134 PolarHBondContact O-N 3.09Å
131	Y	98.6	Very high	98.5	Very high	163 Å²	163	33.9 Å²	33.9	64%	0.639	17%	0.167	S	C	*	.	H	α-helix	trans	-63.4	-24.2	-178.4	62.2	-95.6	0	0	0	114.1	A129 W134 H135	A129-Y131 PolarHBondContact O-N 2.81Å; Y131-W134 PolarHBondContact O-N 3.2Å; Y131-H135 WeakPolarHBondContact O-CB 3.42Å; Y131-H135 PolarHBondContact O-N 2.73Å
132	T	98.8	Very high	98.5	Very high	48 Å²	48	37.7 Å²	37.7	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-68.8	-40.2	176.7	-57.2	0	0	0	0	110.9	F103 L107 N130 H135 F136	F103-T132 HydrophobicContact CE1-CG2 4.3Å; F103-T132 HydrophobicContact CZ-CG2 4.24Å; L107-T132 HydrophobicContact CD2-CG2 3.72Å; N130-T132 PolarHBondContact O-N 3.29Å; N130-T132 WeakPolarHBondContact OD1-CB 3.44Å; N130-T132 PolarHBondContact OD1-N 3.1Å; N130-T132 VanDerWaalsContact OD1-N 3.14Å; T132-H135 PolarHBondContact O-N 2.73Å; T132-F136 PolarHBondContact O-N 3.22Å
133	V	98.9	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-48	174.4	-179.1	0	0	0	0	110	Y100 F103 T120 A123 I124 N130 H135 F136 R137	Y100-V133 HydrophobicContact CE1-CG2 4.07Å; F103-V133 HydrophobicContact CD1-CG2 4.04Å; F103-V133 HydrophobicContact CD2-CG2 4.18Å; F103-V133 HydrophobicContact CE1-CG2 3.64Å; F103-V133 HydrophobicContact CE2-CB 4.16Å; F103-V133 HydrophobicContact CE2-CG1 4.17Å; F103-V133 HydrophobicContact CE2-CG2 3.8Å; F103-V133 HydrophobicContact CG-CG2 4.29Å; F103-V133 HydrophobicContact CZ-CB 4.06Å; F103-V133 HydrophobicContact CZ-CG2 3.52Å; T120-V133 HydrophobicContact CG2-CG1 4.12Å; A123-V133 HydrophobicContact CB-CG1 3.83Å; A123-V133 HydrophobicContact CB-CG2 4.03Å; I124-V133 HydrophobicContact CD1-CG1 4.23Å; I124-V133 HydrophobicContact CG1-CG1 3.73Å; N130-V133 HydrophobicContact CB-CB 4.37Å; N130-V133 HydrophobicContact CB-CG2 3.94Å; N130-V133 PolarHBondContact O-N 2.67Å; N130-V133 PolarHBondContact OD1-N 2.9Å; V133-H135 VanDerWaalsContact C-N 3.33Å; V133-H135 PolarHBondContact O-N 2.65Å; V133-F136 PolarHBondContact O-N 3.47Å; V133-R137 WeakPolarHBondContact O-CB 3.32Å; V133-R137 PolarHBondContact O-N 3.36Å
134	W	98.9	Very high	98.5	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-40.7	176.8	-76	108.4	0	0	0	113.3	I124 A128 N130 Y131 R138 Y154 I155 I158 Q167 V168 H171	I124-W134 HydrophobicContact CB-CZ2 4.3Å; I124-W134 HydrophobicContact CD1-CD2 3.84Å; I124-W134 HydrophobicContact CD1-CE3 3.76Å; I124-W134 HydrophobicContact CD1-CH2 3.74Å; I124-W134 HydrophobicContact CD1-CZ2 3.83Å; I124-W134 HydrophobicContact CD1-CZ3 3.7Å; I124-W134 HydrophobicContact CG1-CD2 4.17Å; I124-W134 HydrophobicContact CG1-CH2 4.36Å; I124-W134 HydrophobicContact CG1-CZ2 3.95Å; I124-W134 HydrophobicContact CG2-CH2 3.87Å; I124-W134 HydrophobicContact CG2-CZ2 3.35Å; A128-W134 PolarHBondContact O-NE1 2.63Å; N130-W134 VanDerWaalsContact O-CD1 3.29Å; N130-W134 PolarHBondContact O-N 3.09Å; Y131-W134 PolarHBondContact O-N 3.2Å; W134-R138 WeakPolarHBondContact O-CG 3.48Å; W134-R138 PolarHBondContact O-N 2.98Å; W134-R138 PolarHBondContact O-NH1 3.45Å; W134-Y154 HydrophobicContact CH2-CE1 4.05Å; W134-Y154 HydrophobicContact CZ3-CE1 4.18Å; W134-I155 HydrophobicContact CH2-CD1 3.45Å; W134-I155 VanDerWaalsContact CH2-CD1 3.45Å; W134-I155 HydrophobicContact CZ2-CD1 4.35Å; W134-I155 HydrophobicContact CZ3-CD1 3.79Å; W134-I158 HydrophobicContact CH2-CG2 4.32Å; W134-I158 HydrophobicContact CZ2-CG2 4.28Å; W134-Q167 HydrophobicContact CD2-CB 4.46Å; W134-Q167 HydrophobicContact CG-CB 3.94Å; W134-V168 HydrophobicContact CH2-CG1 4.27Å; W134-V168 HydrophobicContact CZ2-CG1 3.66Å; W134-H171 HydrophobicContact CE3-CB 3.89Å; W134-H171 AromaticContact CE3-CD2 3.96Å; W134-H171 AromaticContact CE3-CE1 3.94Å; W134-H171 AromaticContact CE3-CG 3.55Å; W134-H171 AromaticContact CE3-ND1 3.57Å; W134-H171 HydrophobicContact CZ3-CB 4Å; W134-H171 AromaticContact CZ3-CD2 3.5Å; W134-H171 AromaticContact CZ3-CG 3.56Å; W134-H171 AromaticContact CZ3-ND1 3.95Å; W134-H171 AromaticContact CZ3-NE2 3.8Å
135	H	98.9	Very high	98.5	Very high	110 Å²	110	50.9 Å²	50.9	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-50.4	173.8	173.3	-84.4	0	0	0	111.1	Y131 T132 V133 R137 R138 V139	Y131-H135 WeakPolarHBondContact O-CB 3.42Å; Y131-H135 PolarHBondContact O-N 2.73Å; T132-H135 PolarHBondContact O-N 2.73Å; V133-H135 VanDerWaalsContact C-N 3.33Å; V133-H135 PolarHBondContact O-N 2.65Å; H135-R137 PolarHBondContact O-N 2.99Å; H135-R138 WeakPolarHBondContact O-CB 3.32Å; H135-R138 PolarHBondContact O-N 2.87Å; H135-V139 PolarHBondContact O-N 3.38Å
136	F	98.9	Very high	98.6	Very high	4 Å²	4	50 Å²	50	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-41.9	179.7	-168.7	-120.7	0	0	0	111.6	F103 V106 L107 A116 T120 T132 V133 R138 V139 L140	F103-F136 HydrophobicContact CE2-CB 4.23Å; F103-F136 AromaticContact CE2-CD1 3.93Å; F103-F136 HydrophobicContact CE2-CD1 3.93Å; F103-F136 HydrophobicContact CE2-CG 4.42Å; F103-F136 HydrophobicContact CZ-CB 4.39Å; V106-F136 HydrophobicContact CB-CE1 4.5Å; V106-F136 HydrophobicContact CG2-CE1 3.93Å; L107-F136 HydrophobicContact CD1-CB 4.25Å; L107-F136 HydrophobicContact CD1-CD2 3.72Å; L107-F136 HydrophobicContact CD1-CE2 4.2Å; L107-F136 HydrophobicContact CD1-CG 3.96Å; A116-F136 HydrophobicContact CB-CE1 4.34Å; T120-F136 HydrophobicContact CG2-CD1 4.06Å; T132-F136 PolarHBondContact O-N 3.22Å; V133-F136 PolarHBondContact O-N 3.47Å; F136-R138 VanDerWaalsContact C-N 3.29Å; F136-R138 PolarHBondContact O-N 2.95Å; F136-V139 WeakPolarHBondContact O-CA 3.37Å; F136-V139 WeakPolarHBondContact O-CB 3.43Å; F136-V139 PolarHBondContact O-N 3.17Å; F136-L140 HydrophobicContact CD1-CD1 3.81Å; F136-L140 HydrophobicContact CD1-CG 4.25Å; F136-L140 HydrophobicContact CE1-CD1 3.71Å; F136-L140 HydrophobicContact CE1-CD2 4.19Å; F136-L140 HydrophobicContact CE1-CG 4.12Å; F136-L140 HydrophobicContact CE2-CD2 4.47Å; F136-L140 HydrophobicContact CZ-CD1 4.37Å; F136-L140 HydrophobicContact CZ-CD2 4.02Å; F136-L140 HydrophobicContact CZ-CG 4.33Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 3.03Å
137	R	98.9	Very high	98.6	Very high	7 Å²	7	52 Å²	52	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-54.4	-44.5	172.9	-174.3	174.9	-177.8	83.6	-2.8	111.8	F117 T120 V133 H135 V139 L140 L141 E151	F117-R137 HydrophobicContact CD2-CG 4.37Å; F117-R137 HydrophobicContact CE2-CG 4.03Å; F117-R137 VanDerWaalsContact CE2-CZ 3.47Å; F117-R137 PolarHBondContact O-NH1 3.19Å; T120-R137 HydrophobicContact CG2-CB 4.29Å; T120-R137 PolarHBondContact OG1-NH1 3.43Å; V133-R137 WeakPolarHBondContact O-CB 3.32Å; V133-R137 PolarHBondContact O-N 3.36Å; H135-R137 PolarHBondContact O-N 2.99Å; R137-V139 PolarHBondContact O-N 3.03Å; R137-L140 WeakPolarHBondContact O-CB 3.39Å; R137-L140 PolarHBondContact O-N 3.38Å; R137-L140 VanDerWaalsContact O-N 3.16Å; R137-L141 WeakPolarHBondContact O-CG 3.48Å; R137-L141 PolarHBondContact O-N 3.19Å; R137-E151 IonicContact CZ-OE1 3.75Å; R137-E151 IonicContact CZ-OE2 3.69Å; R137-E151 IonicContact NE-OE1 3.82Å; R137-E151 PolarHBondContact NE-OE1 2.89Å; R137-E151 IonicContact NE-OE2 3.41Å; R137-E151 PolarHBondContact NE-OE2 3.2Å; R137-E151 IonicContact NH2-OE1 2.78Å; R137-E151 PolarHBondContact NH2-OE1 3.37Å; R137-E151 IonicContact NH2-OE2 3.48Å; R137-E151 PolarHBondContact NH2-OE2 3.02Å
138	R	98.9	Very high	98.6	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-35.8	175	-76.4	-167.7	-64.5	-83	2.3	113.8	W134 H135 F136 L140 K142 H171 W178	W134-R138 WeakPolarHBondContact O-CG 3.48Å; W134-R138 PolarHBondContact O-N 2.98Å; W134-R138 PolarHBondContact O-NH1 3.45Å; H135-R138 WeakPolarHBondContact O-CB 3.32Å; H135-R138 PolarHBondContact O-N 2.87Å; F136-R138 VanDerWaalsContact C-N 3.29Å; F136-R138 PolarHBondContact O-N 2.95Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-K142 PolarHBondContact O-N 3.18Å; R138-H171 WeakPolarHBondContact CG-ND1 3.4Å; R138-H171 PolarHBondContact NH1-ND1 3.22Å; R138-W178 HydrophobicContact CB-CH2 3.85Å; R138-W178 HydrophobicContact CG-CH2 3.97Å
139	V	98.9	Very high	98.6	Very high	34 Å²	34	54.6 Å²	54.6	21%	0.206	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-42.4	171.8	173.4	0	0	0	0	110.6	H135 F136 R137 S143	H135-V139 PolarHBondContact O-N 3.38Å; F136-V139 WeakPolarHBondContact O-CA 3.37Å; F136-V139 WeakPolarHBondContact O-CB 3.43Å; F136-V139 PolarHBondContact O-N 3.17Å; R137-V139 PolarHBondContact O-N 3.03Å; V139-S143 VanDerWaalsContact O-CB 3.31Å; V139-S143 WeakPolarHBondContact O-CB 3.36Å; V139-S143 PolarHBondContact O-N 2.85Å; V139-S143 PolarHBondContact O-OG 3.29Å
140	L	98.9	Very high	98.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-45.3	178.3	-64	176.4	0	0	0	112.1	R112 A116 F117 T120 F136 R137 R138 K142 S143 L144	R112-L140 HydrophobicContact CB-CD2 3.98Å; R112-L140 HydrophobicContact CG-CD2 4.18Å; A116-L140 HydrophobicContact CB-CD1 4.18Å; F117-L140 HydrophobicContact CB-CB 4.42Å; F117-L140 HydrophobicContact CB-CD1 4.09Å; F117-L140 HydrophobicContact CD2-CB 4.03Å; T120-L140 HydrophobicContact CG2-CD1 4.01Å; F136-L140 HydrophobicContact CD1-CD1 3.81Å; F136-L140 HydrophobicContact CD1-CG 4.25Å; F136-L140 HydrophobicContact CE1-CD1 3.71Å; F136-L140 HydrophobicContact CE1-CD2 4.19Å; F136-L140 HydrophobicContact CE1-CG 4.12Å; F136-L140 HydrophobicContact CE2-CD2 4.47Å; F136-L140 HydrophobicContact CZ-CD1 4.37Å; F136-L140 HydrophobicContact CZ-CD2 4.02Å; F136-L140 HydrophobicContact CZ-CG 4.33Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 3.03Å; R137-L140 WeakPolarHBondContact O-CB 3.39Å; R137-L140 PolarHBondContact O-N 3.38Å; R137-L140 VanDerWaalsContact O-N 3.16Å; R138-L140 VanDerWaalsContact C-N 3.33Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.37Å; L140-S143 PolarHBondContact O-N 2.96Å; L140-S143 VanDerWaalsContact O-N 3.15Å; L140-L144 HydrophobicContact CB-CD1 4.3Å; L140-L144 VanDerWaalsContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CB 3.16Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.21Å
141	L	98.9	Very high	98.6	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-50.4	-48	175.7	-74.9	171	0	0	0	111.4	F117 R137 Q145 K146 L148 E151 L175 W178	F117-L141 HydrophobicContact CE2-CD2 3.49Å; F117-L141 VanDerWaalsContact CE2-CD2 3.49Å; F117-L141 HydrophobicContact CE2-CG 3.95Å; F117-L141 HydrophobicContact CZ-CD2 3.79Å; R137-L141 WeakPolarHBondContact O-CG 3.48Å; R137-L141 PolarHBondContact O-N 3.19Å; L141-Q145 WeakPolarHBondContact O-CA 3.3Å; L141-Q145 PolarHBondContact O-N 2.88Å; L141-Q145 VanDerWaalsContact O-N 3.15Å; L141-K146 HydrophobicContact CD2-CB 3.71Å; L141-K146 HydrophobicContact CD2-CG 4.06Å; L141-K146 PolarHBondContact O-N 3.23Å; L141-L148 HydrophobicContact CB-CD2 4.45Å; L141-E151 HydrophobicContact CD1-CG 3.72Å; L141-E151 HydrophobicContact CD2-CB 4.06Å; L141-E151 HydrophobicContact CD2-CG 3.85Å; L141-E151 HydrophobicContact CG-CG 4.45Å; L141-L175 HydrophobicContact CD1-CD2 4.14Å; L141-W178 HydrophobicContact CB-CZ3 4.16Å; L141-W178 HydrophobicContact CD1-CZ3 4.19Å
142	K	98.4	Very high	98.6	Very high	127 Å²	127	46.9 Å²	46.9	55%	0.552	23%	0.23	S	C	*	.	H	α-helix	trans	-69.2	-47	177.1	-76.6	-174	169	172.4	0	113.1	R138 L140 L144 Q145 W178	R138-K142 PolarHBondContact O-N 3.18Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.37Å; K142-L144 PolarHBondContact O-N 3.47Å; K142-Q145 PolarHBondContact O-N 3.42Å; K142-W178 HydrophobicContact CD-CH2 4.16Å; K142-W178 HydrophobicContact CD-CZ2 4.07Å; K142-W178 HydrophobicContact CG-CH2 3.96Å; K142-W178 HydrophobicContact CG-CZ2 4.35Å; K142-W178 HydrophobicContact CG-CZ3 4.15Å
143	S	98.5	Very high	98.6	Very high	48 Å²	48	49.1 Å²	49.1	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-69.3	-36	-172.9	-58.2	0	0	0	0	112.3	R112 V139 L140	R112-S143 VanDerWaalsContact CD-OG 3.25Å; R112-S143 WeakPolarHBondContact CD-OG 3.37Å; R112-S143 PolarHBondContact NH1-OG 3.44Å; R112-S143 VanDerWaalsContact NH1-OG 3.14Å; V139-S143 VanDerWaalsContact O-CB 3.31Å; V139-S143 WeakPolarHBondContact O-CB 3.36Å; V139-S143 PolarHBondContact O-N 2.85Å; V139-S143 PolarHBondContact O-OG 3.29Å; L140-S143 PolarHBondContact O-N 2.96Å; L140-S143 VanDerWaalsContact O-N 3.15Å
144	L	98.6	Very high	98.5	Very high	53 Å²	53	49.6 Å²	49.6	28%	0.277	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3	179	-57.9	176.6	0	0	0	112.8	R112 S113 F117 L140 K142 K146	R112-L144 WeakPolarHBondContact O-CD2 3.3Å; S113-L144 WeakPolarHBondContact O-CD1 3.5Å; F117-L144 HydrophobicContact CB-CD1 3.84Å; F117-L144 HydrophobicContact CG-CD1 4.46Å; L140-L144 HydrophobicContact CB-CD1 4.3Å; L140-L144 VanDerWaalsContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CB 3.16Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.21Å; K142-L144 PolarHBondContact O-N 3.47Å; L144-K146 VanDerWaalsContact C-N 3.28Å; L144-K146 HydrophobicContact CB-CD 3.86Å; L144-K146 HydrophobicContact CB-CG 3.99Å; L144-K146 HydrophobicContact CD1-CD 4.43Å; L144-K146 PolarHBondContact O-N 3.49Å
145	Q	98.4	Very high	98.5	Very high	176 Å²	176	49.6 Å²	49.6	82%	0.822	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	47.9	-177.5	-59.3	175.9	52.8	0	0	112	L141 K142	L141-Q145 WeakPolarHBondContact O-CA 3.3Å; L141-Q145 PolarHBondContact O-N 2.88Å; L141-Q145 VanDerWaalsContact O-N 3.15Å; K142-Q145 PolarHBondContact O-N 3.42Å
146	K	98.6	Very high	98.5	Very high	44 Å²	44	45.7 Å²	45.7	19%	0.191	23%	0.226	C	C	.	.			trans	-65.4	152.7	178.6	-58.6	-60.4	-64	-172.5	0	110.3	E114 F117 L141 L144 L148	E114-K146 IonicContact OE1-NZ 3.96Å; E114-K146 PolarHBondContact OE1-NZ 2.73Å; E114-K146 IonicContact OE2-NZ 2.89Å; E114-K146 PolarHBondContact OE2-NZ 2.96Å; F117-K146 HydrophobicContact CD1-CD 4.36Å; F117-K146 HydrophobicContact CE1-CD 4.34Å; F117-K146 HydrophobicContact CE1-CG 4.38Å; F117-K146 HydrophobicContact CE2-CG 4.3Å; F117-K146 HydrophobicContact CZ-CG 4.2Å; L141-K146 HydrophobicContact CD2-CB 3.71Å; L141-K146 HydrophobicContact CD2-CG 4.06Å; L141-K146 PolarHBondContact O-N 3.23Å; L144-K146 VanDerWaalsContact C-N 3.28Å; L144-K146 HydrophobicContact CB-CD 3.86Å; L144-K146 HydrophobicContact CB-CG 3.99Å; L144-K146 HydrophobicContact CD1-CD 4.43Å; L144-K146 PolarHBondContact O-N 3.49Å; K146-L148 PolarHBondContact O-N 3.47Å
147	D	98.4	Very high	98.4	Very high	92 Å²	92	46.8 Å²	46.8	49%	0.492	24%	0.236	S	C	.	.			trans	-66.9	117.4	172.8	-168.4	-28.6	0	0	0	109.5	H149 E150 E151	D147-H149 VanDerWaalsContact C-N 3.3Å; D147-H149 WeakPolarHBondContact OD1-CB 3.34Å; D147-H149 IonicContact OD1-CD2 3.64Å; D147-H149 IonicContact OD1-CG 3.4Å; D147-H149 PolarHBondContact OD1-N 3.29Å; D147-E150 HydrophobicContact CB-CB 4.02Å; D147-E150 PolarHBondContact O-N 3.49Å; D147-E151 PolarHBondContact O-N 3.35Å
148	L	98.5	Very high	98.3	Very high	32 Å²	32	47 Å²	47	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-75.6	-20.6	-178.2	-60.4	-177.3	0	0	0	112.3	L141 K146 E151 M152 L175 W178 L179	L141-L148 HydrophobicContact CB-CD2 4.45Å; K146-L148 PolarHBondContact O-N 3.47Å; L148-E151 PolarHBondContact O-N 2.88Å; L148-M152 VanDerWaalsContact O-CG 3.3Å; L148-M152 WeakPolarHBondContact O-CG 3.46Å; L148-M152 PolarHBondContact O-N 3.2Å; L148-L175 HydrophobicContact CD2-CD2 4.08Å; L148-W178 HydrophobicContact CD1-CB 3.83Å; L148-W178 HydrophobicContact CD1-CE3 3.93Å; L148-W178 HydrophobicContact CD2-CE3 3.92Å; L148-W178 HydrophobicContact CD2-CZ3 4.2Å; L148-L179 HydrophobicContact CB-CD1 3.98Å; L148-L179 HydrophobicContact CB-CD2 3.79Å; L148-L179 HydrophobicContact CB-CG 3.89Å; L148-L179 HydrophobicContact CD1-CD2 4.18Å; L148-L179 HydrophobicContact CD1-CG 4.17Å
149	H	97.8	Very high	98.3	Very high	84 Å²	84	45.3 Å²	45.3	39%	0.389	23%	0.231	S	C	.	.	H	α-helix	trans	-73.5	-36.2	172.6	-66.5	-75	0	0	0	111.2	D147 E151 M152 N153 D181	D147-H149 VanDerWaalsContact C-N 3.3Å; D147-H149 WeakPolarHBondContact OD1-CB 3.34Å; D147-H149 IonicContact OD1-CD2 3.64Å; D147-H149 IonicContact OD1-CG 3.4Å; D147-H149 PolarHBondContact OD1-N 3.29Å; H149-E151 VanDerWaalsContact C-N 3.32Å; H149-M152 WeakPolarHBondContact O-CB 3.33Å; H149-M152 PolarHBondContact O-N 2.94Å; H149-N153 PolarHBondContact O-N 2.98Å; H149-N153 VanDerWaalsContact O-N 3.09Å; H149-D181 IonicContact CE1-OD2 3.49Å
150	E	97.6	Very high	98.2	Very high	76 Å²	76	47.8 Å²	47.8	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-43.4	169.6	-173	-177.6	-165.7	0	0	110.7	M51 D147 M152 N153 Y154	M51-E150 HydrophobicContact CE-CG 4.03Å; M51-E150 VanDerWaalsContact CE-O 3.32Å; M51-E150 WeakPolarHBondContact CE-O 3.31Å; M51-E150 HydrophobicContact SD-CG 3.63Å; D147-E150 HydrophobicContact CB-CB 4.02Å; D147-E150 PolarHBondContact O-N 3.49Å; E150-M152 VanDerWaalsContact C-N 3.3Å; E150-M152 PolarHBondContact O-N 3.4Å; E150-N153 WeakPolarHBondContact O-CB 3.23Å; E150-N153 PolarHBondContact O-N 3.49Å; E150-N153 VanDerWaalsContact O-N 3.15Å; E150-Y154 PolarHBondContact O-N 2.97Å
151	E	98.7	Very high	98.1	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-31.3	175.1	-174.3	67.1	-178.8	0	0	113	R137 L141 D147 L148 H149 N153 Y154 I155 H171 L175	R137-E151 IonicContact CZ-OE1 3.75Å; R137-E151 IonicContact CZ-OE2 3.69Å; R137-E151 IonicContact NE-OE1 3.82Å; R137-E151 PolarHBondContact NE-OE1 2.89Å; R137-E151 IonicContact NE-OE2 3.41Å; R137-E151 PolarHBondContact NE-OE2 3.2Å; R137-E151 IonicContact NH2-OE1 2.78Å; R137-E151 PolarHBondContact NH2-OE1 3.37Å; R137-E151 IonicContact NH2-OE2 3.48Å; R137-E151 PolarHBondContact NH2-OE2 3.02Å; L141-E151 HydrophobicContact CD1-CG 3.72Å; L141-E151 HydrophobicContact CD2-CB 4.06Å; L141-E151 HydrophobicContact CD2-CG 3.85Å; L141-E151 HydrophobicContact CG-CG 4.45Å; D147-E151 PolarHBondContact O-N 3.35Å; L148-E151 PolarHBondContact O-N 2.88Å; H149-E151 VanDerWaalsContact C-N 3.32Å; E151-N153 VanDerWaalsContact C-N 3.34Å; E151-Y154 WeakPolarHBondContact O-CB 3.41Å; E151-Y154 PolarHBondContact O-N 3.49Å; E151-I155 PolarHBondContact O-N 3.31Å; E151-H171 IonicContact OE1-CD2 2.73Å; E151-H171 IonicContact OE1-CE1 3.33Å; E151-H171 IonicContact OE1-NE2 3.3Å; E151-H171 PolarHBondContact OE1-NE2 3.03Å; E151-L175 HydrophobicContact CB-CD1 4.27Å; E151-L175 HydrophobicContact CB-CD2 4.3Å; E151-L175 HydrophobicContact CG-CD1 3.61Å; E151-L175 HydrophobicContact CG-CD2 3.72Å; E151-L175 HydrophobicContact CG-CG 4.31Å
152	M	98.6	Very high	97.9	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-39.8	171.7	-79.8	-64.7	-67.8	0	0	111.6	L148 H149 E150 I155 T156 R172 L175 V176 L179 E185	L148-M152 VanDerWaalsContact O-CG 3.3Å; L148-M152 WeakPolarHBondContact O-CG 3.46Å; L148-M152 PolarHBondContact O-N 3.2Å; H149-M152 WeakPolarHBondContact O-CB 3.33Å; H149-M152 PolarHBondContact O-N 2.94Å; E150-M152 VanDerWaalsContact C-N 3.3Å; E150-M152 PolarHBondContact O-N 3.4Å; M152-I155 WeakPolarHBondContact O-CG2 3.12Å; M152-I155 HydrophobicContact SD-CG2 4.28Å; M152-T156 WeakPolarHBondContact O-CB 3.47Å; M152-T156 PolarHBondContact O-N 2.98Å; M152-T156 PolarHBondContact O-OG1 3.34Å; M152-R172 HydrophobicContact CE-CG 4.2Å; M152-R172 HydrophobicContact SD-CG 4.3Å; M152-L175 HydrophobicContact CG-CB 4.23Å; M152-L175 HydrophobicContact CG-CD1 4.23Å; M152-L175 HydrophobicContact SD-CB 3.51Å; M152-L175 VanDerWaalsContact SD-CB 3.51Å; M152-L175 HydrophobicContact SD-CD1 3.72Å; M152-L175 HydrophobicContact SD-CG 4.29Å; M152-V176 HydrophobicContact CE-CG2 4.07Å; M152-V176 HydrophobicContact SD-CG2 4.36Å; M152-L179 HydrophobicContact CG-CD1 3.83Å; M152-E185 WeakPolarHBondContact CE-OE1 3.46Å
153	N	98	Very high	97.9	Very high	95 Å²	95	52.6 Å²	52.6	51%	0.508	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-42.5	174.1	-61.8	-22.7	0	0	0	111	M51 H149 E150 E151 T156 A157	M51-N153 HydrophobicContact CE-CB 4.03Å; H149-N153 PolarHBondContact O-N 2.98Å; H149-N153 VanDerWaalsContact O-N 3.09Å; E150-N153 WeakPolarHBondContact O-CB 3.23Å; E150-N153 PolarHBondContact O-N 3.49Å; E150-N153 VanDerWaalsContact O-N 3.15Å; E151-N153 VanDerWaalsContact C-N 3.34Å; N153-T156 WeakPolarHBondContact O-CB 3.29Å; N153-T156 PolarHBondContact O-N 3.01Å; N153-A157 PolarHBondContact O-N 2.91Å
154	Y	98.2	Very high	97.8	Very high	10 Å²	10	57 Å²	57	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-52.4	175.4	170.6	-110.3	0	0	0	112	R121 I124 W134 E150 E151 T156 A157 I158	R121-Y154 HydrophobicContact CG-CE2 3.85Å; I124-Y154 WeakPolarHBondContact CG2-OH 3.34Å; W134-Y154 HydrophobicContact CH2-CE1 4.05Å; W134-Y154 HydrophobicContact CZ3-CE1 4.18Å; E150-Y154 PolarHBondContact O-N 2.97Å; E151-Y154 WeakPolarHBondContact O-CB 3.41Å; E151-Y154 PolarHBondContact O-N 3.49Å; Y154-T156 PolarHBondContact O-N 2.59Å; Y154-A157 PolarHBondContact O-N 2.88Å; Y154-I158 HydrophobicContact CD2-CG1 4.06Å; Y154-I158 HydrophobicContact CE1-CG1 4.11Å; Y154-I158 HydrophobicContact CE2-CD1 3.76Å; Y154-I158 HydrophobicContact CE2-CG1 3.58Å; Y154-I158 WeakPolarHBondContact O-CG1 3.35Å; Y154-I158 PolarHBondContact O-N 2.9Å; Y154-I158 VanDerWaalsContact O-N 3.14Å
155	I	98.6	Very high	97.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-27	-177	-161.7	58.2	0	0	0	112.6	W134 E151 M152 I158 I159 V168 H171 R172 L175	W134-I155 HydrophobicContact CH2-CD1 3.45Å; W134-I155 VanDerWaalsContact CH2-CD1 3.45Å; W134-I155 HydrophobicContact CZ2-CD1 4.35Å; W134-I155 HydrophobicContact CZ3-CD1 3.79Å; E151-I155 PolarHBondContact O-N 3.31Å; M152-I155 WeakPolarHBondContact O-CG2 3.12Å; M152-I155 HydrophobicContact SD-CG2 4.28Å; I155-I158 HydrophobicContact CD1-CB 4.36Å; I155-I158 PolarHBondContact O-N 2.91Å; I155-I159 HydrophobicContact CG1-CD1 3.95Å; I155-I159 HydrophobicContact CG1-CG1 4.26Å; I155-I159 WeakPolarHBondContact O-CB 2.81Å; I155-I159 VanDerWaalsContact O-CG1 3.24Å; I155-I159 WeakPolarHBondContact O-CG1 3.44Å; I155-I159 PolarHBondContact O-N 3Å; I155-V168 HydrophobicContact CD1-CB 3.95Å; I155-V168 HydrophobicContact CD1-CG1 4.32Å; I155-H171 HydrophobicContact CD1-CB 4.14Å; I155-H171 HydrophobicContact CG1-CB 4.44Å; I155-R172 HydrophobicContact CG1-CB 4.03Å; I155-R172 HydrophobicContact CG2-CB 4.05Å; I155-R172 HydrophobicContact CG2-CG 4.08Å; I155-L175 HydrophobicContact CB-CD1 4.34Å; I155-L175 HydrophobicContact CG2-CD1 3.82Å
156	T	98.4	Very high	97.8	Very high	28 Å²	28	54.4 Å²	54.4	17%	0.172	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-54.4	173.7	-62.9	0	0	0	0	110.1	M152 N153 Y154 I158 I159 E160 R172 F188	M152-T156 WeakPolarHBondContact O-CB 3.47Å; M152-T156 PolarHBondContact O-N 2.98Å; M152-T156 PolarHBondContact O-OG1 3.34Å; N153-T156 WeakPolarHBondContact O-CB 3.29Å; N153-T156 PolarHBondContact O-N 3.01Å; Y154-T156 PolarHBondContact O-N 2.59Å; T156-I158 PolarHBondContact O-N 3.07Å; T156-I159 PolarHBondContact O-N 3.2Å; T156-E160 PolarHBondContact O-N 3.15Å; T156-E160 VanDerWaalsContact O-N 3.09Å; T156-R172 PolarHBondContact OG1-NH1 3.25Å; T156-F188 HydrophobicContact CG2-CD2 3.8Å; T156-F188 HydrophobicContact CG2-CE2 3.73Å
157	A	97.2	Very high	97.8	Very high	27 Å²	27	54.3 Å²	54.3	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-43.7	177.4	0	0	0	0	0	112.4	N153 Y154 I159 E160 E161	N153-A157 PolarHBondContact O-N 2.91Å; Y154-A157 PolarHBondContact O-N 2.88Å; A157-I159 VanDerWaalsContact C-N 3.33Å; A157-I159 PolarHBondContact O-N 3.04Å; A157-E160 PolarHBondContact O-N 2.79Å; A157-E161 PolarHBondContact O-N 2.86Å; A157-E161 VanDerWaalsContact O-N 3.12Å
158	I	97.4	Very high	97.8	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.062	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-34.9	-179.8	-61.5	-62.1	0	0	0	112.3	W134 Y154 I155 T156 Q162 V168	W134-I158 HydrophobicContact CH2-CG2 4.32Å; W134-I158 HydrophobicContact CZ2-CG2 4.28Å; Y154-I158 HydrophobicContact CD2-CG1 4.06Å; Y154-I158 HydrophobicContact CE1-CG1 4.11Å; Y154-I158 HydrophobicContact CE2-CD1 3.76Å; Y154-I158 HydrophobicContact CE2-CG1 3.58Å; Y154-I158 WeakPolarHBondContact O-CG1 3.35Å; Y154-I158 PolarHBondContact O-N 2.9Å; Y154-I158 VanDerWaalsContact O-N 3.14Å; I155-I158 HydrophobicContact CD1-CB 4.36Å; I155-I158 PolarHBondContact O-N 2.91Å; T156-I158 PolarHBondContact O-N 3.07Å; I158-Q162 PolarHBondContact O-N 3.39Å; I158-V168 HydrophobicContact CG2-CB 4.47Å; I158-V168 HydrophobicContact CG2-CG1 3.57Å
159	I	98.4	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71.1	-38.3	176	-69.2	166.5	0	0	0	110.9	I155 T156 A157 E161 Q162 P163 V168 W169 R172 F188 I192	I155-I159 HydrophobicContact CG1-CD1 3.95Å; I155-I159 HydrophobicContact CG1-CG1 4.26Å; I155-I159 WeakPolarHBondContact O-CB 2.81Å; I155-I159 VanDerWaalsContact O-CG1 3.24Å; I155-I159 WeakPolarHBondContact O-CG1 3.44Å; I155-I159 PolarHBondContact O-N 3Å; T156-I159 PolarHBondContact O-N 3.2Å; A157-I159 VanDerWaalsContact C-N 3.33Å; A157-I159 PolarHBondContact O-N 3.04Å; I159-E161 VanDerWaalsContact C-N 3.28Å; I159-E161 PolarHBondContact O-N 3.39Å; I159-Q162 CarbonylContact O-C 3.14Å; I159-Q162 VanDerWaalsContact O-C 3.3Å; I159-Q162 PolarHBondContact O-N 2.66Å; I159-P163 HydrophobicContact CG2-CB 4.49Å; I159-P163 WeakPolarHBondContact O-CA 3.44Å; I159-P163 VanDerWaalsContact O-CB 3.23Å; I159-P163 WeakPolarHBondContact O-CB 3.24Å; I159-P163 VanDerWaalsContact O-CD 3.24Å; I159-P163 WeakPolarHBondContact O-CD 3.26Å; I159-V168 HydrophobicContact CG1-CB 3.7Å; I159-V168 HydrophobicContact CG1-CG2 3.68Å; I159-W169 HydrophobicContact CD1-CD2 4.45Å; I159-W169 HydrophobicContact CD1-CE3 4.42Å; I159-W169 HydrophobicContact CG2-CH2 4.08Å; I159-W169 HydrophobicContact CG2-CZ2 3.6Å; I159-R172 HydrophobicContact CD1-CB 3.84Å; I159-R172 HydrophobicContact CD1-CG 4.33Å; I159-F188 HydrophobicContact CB-CZ 3.78Å; I159-F188 HydrophobicContact CD1-CE1 4.08Å; I159-F188 HydrophobicContact CD1-CZ 3.85Å; I159-F188 HydrophobicContact CG1-CZ 4.42Å; I159-F188 HydrophobicContact CG2-CE1 4.31Å; I159-F188 HydrophobicContact CG2-CZ 3.59Å; I159-I192 HydrophobicContact CG2-CD1 4.1Å; I159-I192 HydrophobicContact CG2-CG1 4.35Å
160	E	96.7	Very high	97.9	Very high	87 Å²	87	49.4 Å²	49.4	41%	0.407	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-41.3	175.5	-72.8	173.5	-172.4	0	0	111.5	T156 A157 I192	T156-E160 PolarHBondContact O-N 3.15Å; T156-E160 VanDerWaalsContact O-N 3.09Å; A157-E160 PolarHBondContact O-N 2.79Å; E160-I192 HydrophobicContact CG-CD1 3.88Å
161	E	95.3	Very high	97.9	Very high	134 Å²	134	45.8 Å²	45.8	63%	0.626	22%	0.218	S	C	*	.	H	α-helix	trans	-71.9	-39	175.6	-67.2	173.5	-158.1	0	0	112.9	A157 I159 P163	A157-E161 PolarHBondContact O-N 2.86Å; A157-E161 VanDerWaalsContact O-N 3.12Å; I159-E161 VanDerWaalsContact C-N 3.28Å; I159-E161 PolarHBondContact O-N 3.39Å; E161-P163 VanDerWaalsContact C-CD 3.48Å
162	Q	95.7	Very high	97.9	Very high	63 Å²	63	45.5 Å²	45.5	29%	0.294	22%	0.217	S	C	.	.			trans	-130.2	62.1	-172.5	-59	-173.6	51	0	0	113	I158 I159 K164 N165	I158-Q162 PolarHBondContact O-N 3.39Å; I159-Q162 CarbonylContact O-C 3.14Å; I159-Q162 VanDerWaalsContact O-C 3.3Å; I159-Q162 PolarHBondContact O-N 2.66Å; Q162-K164 PolarHBondContact O-N 2.96Å; Q162-N165 HydrophobicContact CB-CB 4.4Å; Q162-N165 WeakPolarHBondContact O-CB 3.5Å; Q162-N165 PolarHBondContact O-N 3.28Å
163	P	97.6	Very high	98	Very high	32 Å²	32	49.7 Å²	49.7	21%	0.208	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.3	-168.3	29.4	-37.1	0	0	0	113.9	I159 E161 W169 I192 N199	I159-P163 HydrophobicContact CG2-CB 4.49Å; I159-P163 WeakPolarHBondContact O-CA 3.44Å; I159-P163 VanDerWaalsContact O-CB 3.23Å; I159-P163 WeakPolarHBondContact O-CB 3.24Å; I159-P163 VanDerWaalsContact O-CD 3.24Å; I159-P163 WeakPolarHBondContact O-CD 3.26Å; E161-P163 VanDerWaalsContact C-CD 3.48Å; P163-W169 PolarHBondContact O-NE1 3.47Å; P163-I192 HydrophobicContact CB-CG2 4.26Å; P163-N199 PolarHBondContact O-ND2 3.45Å
164	K	98.1	Very high	98	Very high	141 Å²	141	45.8 Å²	45.8	61%	0.613	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	20.1	-178.6	-61.1	-174.8	-178.8	-176.8	0	113.2	Q162 D196	Q162-K164 PolarHBondContact O-N 2.96Å; K164-D196 WeakPolarHBondContact CE-OD2 3.47Å; K164-D196 IonicContact NZ-OD2 3.99Å; K164-D196 PolarHBondContact NZ-OD2 2.94Å
165	N	97.7	Very high	98	Very high	16 Å²	16	45.3 Å²	45.3	9%	0.086	21%	0.21	C	C	.	.			trans	-102.1	131.6	-179.6	174.3	-63.8	0	0	0	111.2	A128 A129 Q162 Q167 V168 W169	A128-N165 PolarHBondContact O-ND2 3.5Å; A129-N165 WeakPolarHBondContact CA-ND2 3.27Å; A129-N165 PolarHBondContact N-ND2 3.44Å; Q162-N165 HydrophobicContact CB-CB 4.4Å; Q162-N165 WeakPolarHBondContact O-CB 3.5Å; Q162-N165 PolarHBondContact O-N 3.28Å; N165-Q167 PolarHBondContact ND2-OE1 2.91Å; N165-Q167 WeakPolarHBondContact OD1-CA 3.13Å; N165-Q167 WeakPolarHBondContact OD1-CB 3.35Å; N165-Q167 PolarHBondContact OD1-N 3.2Å; N165-Q167 PolarHBondContact OD1-OE1 2.88Å; N165-V168 HydrophobicContact CB-CG1 4.27Å; N165-V168 HydrophobicContact CB-CG2 3.79Å; N165-V168 WeakPolarHBondContact O-CG2 3.36Å; N165-V168 PolarHBondContact OD1-N 3.43Å; N165-W169 VanDerWaalsContact O-CD1 3.24Å
166	Y	98.4	Very high	98	Very high	158 Å²	158	45.3 Å²	45.3	62%	0.62	21%	0.21	S	C	*	.	H	α-helix	trans	-68.3	-37.9	-177.9	-78.5	-93.5	0	0	0	113.5	H170 H201	Y166-H170 WeakPolarHBondContact O-CB 3.44Å; Y166-H170 PolarHBondContact O-N 2.8Å; Y166-H170 VanDerWaalsContact O-N 3.1Å; Y166-H201 AromaticContact CD1-CE1 3.57Å; Y166-H201 AromaticContact CD2-CE1 3.78Å; Y166-H201 AromaticContact CE1-CE1 3.48Å; Y166-H201 VanDerWaalsContact CE1-CE1 3.48Å; Y166-H201 WeakPolarHBondContact CE1-CE1 3.38Å; Y166-H201 AromaticContact CE2-CE1 3.69Å; Y166-H201 AromaticContact CG-CE1 3.72Å; Y166-H201 AromaticContact CZ-CE1 3.53Å
167	Q	98.6	Very high	98.1	Very high	42 Å²	42	47 Å²	47	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-68.9	-37.5	-173	-66.5	67.7	32.8	0	0	111.5	W134 N165 H170 H171	W134-Q167 HydrophobicContact CD2-CB 4.46Å; W134-Q167 HydrophobicContact CG-CB 3.94Å; N165-Q167 PolarHBondContact ND2-OE1 2.91Å; N165-Q167 WeakPolarHBondContact OD1-CA 3.13Å; N165-Q167 WeakPolarHBondContact OD1-CB 3.35Å; N165-Q167 PolarHBondContact OD1-N 3.2Å; N165-Q167 PolarHBondContact OD1-OE1 2.88Å; Q167-H170 PolarHBondContact O-N 3.33Å; Q167-H171 VanDerWaalsContact O-CB 3.27Å; Q167-H171 WeakPolarHBondContact O-CB 3.27Å; Q167-H171 PolarHBondContact O-N 3.44Å
168	V	98.7	Very high	98.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-43.6	-178.2	-59.3	0	0	0	0	111.8	W134 I155 I158 I159 N165 H171 R172	W134-V168 HydrophobicContact CH2-CG1 4.27Å; W134-V168 HydrophobicContact CZ2-CG1 3.66Å; I155-V168 HydrophobicContact CD1-CB 3.95Å; I155-V168 HydrophobicContact CD1-CG1 4.32Å; I158-V168 HydrophobicContact CG2-CB 4.47Å; I158-V168 HydrophobicContact CG2-CG1 3.57Å; I159-V168 HydrophobicContact CG1-CB 3.7Å; I159-V168 HydrophobicContact CG1-CG2 3.68Å; N165-V168 HydrophobicContact CB-CG1 4.27Å; N165-V168 HydrophobicContact CB-CG2 3.79Å; N165-V168 WeakPolarHBondContact O-CG2 3.36Å; N165-V168 PolarHBondContact OD1-N 3.43Å; V168-H171 PolarHBondContact O-N 3.43Å; V168-R172 PolarHBondContact O-N 3.46Å
169	W	98.9	Very high	98.2	Very high	11 Å²	11	51 Å²	51	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-41.8	175.6	-73.6	103.3	0	0	0	112	I159 P163 N165 H171 R172 R173 F188 I189 I192 H201 A202 H205	I159-W169 HydrophobicContact CD1-CD2 4.45Å; I159-W169 HydrophobicContact CD1-CE3 4.42Å; I159-W169 HydrophobicContact CG2-CH2 4.08Å; I159-W169 HydrophobicContact CG2-CZ2 3.6Å; P163-W169 PolarHBondContact O-NE1 3.47Å; N165-W169 VanDerWaalsContact O-CD1 3.24Å; W169-H171 VanDerWaalsContact C-N 3.31Å; W169-H171 PolarHBondContact O-N 3.26Å; W169-R172 PolarHBondContact O-N 3.11Å; W169-R173 WeakPolarHBondContact O-CB 3.38Å; W169-R173 PolarHBondContact O-N 2.94Å; W169-F188 AromaticContact CH2-CE1 3.99Å; W169-F188 HydrophobicContact CH2-CE1 3.99Å; W169-F188 AromaticContact CZ3-CE1 3.92Å; W169-F188 HydrophobicContact CZ3-CE1 3.92Å; W169-I189 HydrophobicContact CZ3-CG1 4.37Å; W169-I192 HydrophobicContact CH2-CG1 4.33Å; W169-I192 HydrophobicContact CH2-CG2 4.32Å; W169-I192 HydrophobicContact CZ2-CG2 4.06Å; W169-H201 HydrophobicContact CB-CB 4.48Å; W169-H201 AromaticContact CD1-CG 3.71Å; W169-H201 HydrophobicContact CD2-CB 3.91Å; W169-H201 HydrophobicContact CG-CB 3.66Å; W169-H201 HydrophobicContact CZ2-CB 4.49Å; W169-H201 VanDerWaalsContact NE1-CB 3.28Å; W169-H201 AromaticContact NE1-CG 3.99Å; W169-A202 HydrophobicContact CH2-CB 3.7Å; W169-A202 HydrophobicContact CZ2-CB 3.81Å; W169-H205 HydrophobicContact CE3-CB 3.58Å; W169-H205 AromaticContact CE3-CD2 3.86Å; W169-H205 AromaticContact CE3-CG 3.65Å; W169-H205 HydrophobicContact CZ3-CB 3.75Å; W169-H205 AromaticContact CZ3-CD2 3.7Å; W169-H205 AromaticContact CZ3-CG 3.86Å
170	H	98.8	Very high	98.2	Very high	94 Å²	94	57.4 Å²	57.4	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-40.9	174.3	179.9	57.1	0	0	0	111.6	Y166 Q167 R173 V174	Y166-H170 WeakPolarHBondContact O-CB 3.44Å; Y166-H170 PolarHBondContact O-N 2.8Å; Y166-H170 VanDerWaalsContact O-N 3.1Å; Q167-H170 PolarHBondContact O-N 3.33Å; H170-R173 PolarHBondContact O-N 2.89Å; H170-V174 WeakPolarHBondContact O-CG2 3.17Å; H170-V174 PolarHBondContact O-N 3.39Å
171	H	98.9	Very high	98.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-48.2	177.7	-170.3	78	0	0	0	111.5	W134 R138 E151 I155 Q167 V168 W169 R173 V174 L175	W134-H171 HydrophobicContact CE3-CB 3.89Å; W134-H171 AromaticContact CE3-CD2 3.96Å; W134-H171 AromaticContact CE3-CE1 3.94Å; W134-H171 AromaticContact CE3-CG 3.55Å; W134-H171 AromaticContact CE3-ND1 3.57Å; W134-H171 HydrophobicContact CZ3-CB 4Å; W134-H171 AromaticContact CZ3-CD2 3.5Å; W134-H171 AromaticContact CZ3-CG 3.56Å; W134-H171 AromaticContact CZ3-ND1 3.95Å; W134-H171 AromaticContact CZ3-NE2 3.8Å; R138-H171 WeakPolarHBondContact CG-ND1 3.4Å; R138-H171 PolarHBondContact NH1-ND1 3.22Å; E151-H171 IonicContact OE1-CD2 2.73Å; E151-H171 IonicContact OE1-CE1 3.33Å; E151-H171 IonicContact OE1-NE2 3.3Å; E151-H171 PolarHBondContact OE1-NE2 3.03Å; I155-H171 HydrophobicContact CD1-CB 4.14Å; I155-H171 HydrophobicContact CG1-CB 4.44Å; Q167-H171 VanDerWaalsContact O-CB 3.27Å; Q167-H171 WeakPolarHBondContact O-CB 3.27Å; Q167-H171 PolarHBondContact O-N 3.44Å; V168-H171 PolarHBondContact O-N 3.43Å; W169-H171 VanDerWaalsContact C-N 3.31Å; W169-H171 PolarHBondContact O-N 3.26Å; H171-R173 VanDerWaalsContact C-N 3.34Å; H171-R173 PolarHBondContact O-N 3.04Å; H171-V174 WeakPolarHBondContact O-CB 3.5Å; H171-V174 PolarHBondContact O-N 2.92Å; H171-V174 VanDerWaalsContact O-N 3.1Å; H171-L175 WeakPolarHBondContact O-CG 3.08Å; H171-L175 PolarHBondContact O-N 3.36Å
172	R	98.9	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.1	-47.3	174.5	-173.4	-177.4	-174.5	94.5	3.5	111.8	M152 I155 T156 I159 V168 W169 V174 L175 V176 E185 F188	M152-R172 HydrophobicContact CE-CG 4.2Å; M152-R172 HydrophobicContact SD-CG 4.3Å; I155-R172 HydrophobicContact CG1-CB 4.03Å; I155-R172 HydrophobicContact CG2-CB 4.05Å; I155-R172 HydrophobicContact CG2-CG 4.08Å; T156-R172 PolarHBondContact OG1-NH1 3.25Å; I159-R172 HydrophobicContact CD1-CB 3.84Å; I159-R172 HydrophobicContact CD1-CG 4.33Å; V168-R172 PolarHBondContact O-N 3.46Å; W169-R172 PolarHBondContact O-N 3.11Å; R172-V174 VanDerWaalsContact C-N 3.31Å; R172-V174 PolarHBondContact O-N 3.25Å; R172-L175 WeakPolarHBondContact O-CB 3.45Å; R172-L175 PolarHBondContact O-N 3.45Å; R172-L175 VanDerWaalsContact O-N 3.1Å; R172-V176 WeakPolarHBondContact O-CG2 3.48Å; R172-V176 PolarHBondContact O-N 2.8Å; R172-E185 IonicContact CZ-OE1 3.29Å; R172-E185 VanDerWaalsContact CZ-OE1 3.25Å; R172-E185 IonicContact CZ-OE2 2.83Å; R172-E185 IonicContact NE-OE1 3.56Å; R172-E185 PolarHBondContact NE-OE1 2.92Å; R172-E185 IonicContact NE-OE2 2.76Å; R172-E185 PolarHBondContact NE-OE2 3.12Å; R172-E185 IonicContact NH2-OE1 3.75Å; R172-E185 PolarHBondContact NH2-OE1 3.15Å; R172-E185 IonicContact NH2-OE2 2.82Å; R172-F188 VanDerWaalsContact NE-CD1 3.32Å
173	R	98.9	Very high	98.6	Very high	94 Å²	94	51.3 Å²	51.3	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-54.3	-46.3	174.9	171.5	170.8	171.2	169.3	3.6	112.3	W169 H170 H171 L175 V176 E177 W208	W169-R173 WeakPolarHBondContact O-CB 3.38Å; W169-R173 PolarHBondContact O-N 2.94Å; H170-R173 PolarHBondContact O-N 2.89Å; H171-R173 VanDerWaalsContact C-N 3.34Å; H171-R173 PolarHBondContact O-N 3.04Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.27Å; R173-V176 PolarHBondContact O-N 3.3Å; R173-E177 HydrophobicContact CG-CG 4.36Å; R173-E177 IonicContact CZ-OE1 2.66Å; R173-E177 IonicContact NE-OE1 3.45Å; R173-E177 PolarHBondContact NE-OE1 2.86Å; R173-E177 IonicContact NH2-OE1 3.43Å; R173-E177 PolarHBondContact NH2-OE1 3.24Å; R173-E177 WeakPolarHBondContact O-CB 3.38Å; R173-E177 VanDerWaalsContact O-CG 3.32Å; R173-E177 WeakPolarHBondContact O-CG 3.47Å; R173-E177 PolarHBondContact O-N 3.07Å; R173-W208 HydrophobicContact CB-CE3 4.43Å; R173-W208 HydrophobicContact CB-CH2 4.41Å; R173-W208 HydrophobicContact CB-CZ3 4.18Å; R173-W208 HydrophobicContact CG-CD2 4.08Å; R173-W208 HydrophobicContact CG-CE3 4.01Å; R173-W208 HydrophobicContact CG-CH2 3.75Å; R173-W208 HydrophobicContact CG-CZ2 3.8Å; R173-W208 HydrophobicContact CG-CZ3 3.87Å
174	V	98.8	Very high	98.6	Very high	12 Å²	12	53.2 Å²	53.2	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-38.2	178.6	171.2	0	0	0	0	111.7	H170 H171 R172 E177 W178	H170-V174 WeakPolarHBondContact O-CG2 3.17Å; H170-V174 PolarHBondContact O-N 3.39Å; H171-V174 WeakPolarHBondContact O-CB 3.5Å; H171-V174 PolarHBondContact O-N 2.92Å; H171-V174 VanDerWaalsContact O-N 3.1Å; R172-V174 VanDerWaalsContact C-N 3.31Å; R172-V174 PolarHBondContact O-N 3.25Å; V174-E177 PolarHBondContact O-N 3.4Å; V174-W178 HydrophobicContact CG1-CD2 3.87Å; V174-W178 HydrophobicContact CG1-CE3 4.4Å; V174-W178 HydrophobicContact CG1-CG 4.42Å; V174-W178 HydrophobicContact CG1-CH2 3.93Å; V174-W178 HydrophobicContact CG1-CZ2 3.26Å; V174-W178 HydrophobicContact CG1-CZ3 4.44Å; V174-W178 VanDerWaalsContact O-CG 3.25Å; V174-W178 PolarHBondContact O-N 3.17Å
175	L	98.9	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-45.8	176.2	-61.6	172.8	0	0	0	111.8	L141 L148 E151 M152 I155 H171 R172 R173 E177 W178 L179	L141-L175 HydrophobicContact CD1-CD2 4.14Å; L148-L175 HydrophobicContact CD2-CD2 4.08Å; E151-L175 HydrophobicContact CB-CD1 4.27Å; E151-L175 HydrophobicContact CB-CD2 4.3Å; E151-L175 HydrophobicContact CG-CD1 3.61Å; E151-L175 HydrophobicContact CG-CD2 3.72Å; E151-L175 HydrophobicContact CG-CG 4.31Å; M152-L175 HydrophobicContact CG-CB 4.23Å; M152-L175 HydrophobicContact CG-CD1 4.23Å; M152-L175 HydrophobicContact SD-CB 3.51Å; M152-L175 VanDerWaalsContact SD-CB 3.51Å; M152-L175 HydrophobicContact SD-CD1 3.72Å; M152-L175 HydrophobicContact SD-CG 4.29Å; I155-L175 HydrophobicContact CB-CD1 4.34Å; I155-L175 HydrophobicContact CG2-CD1 3.82Å; H171-L175 WeakPolarHBondContact O-CG 3.08Å; H171-L175 PolarHBondContact O-N 3.36Å; R172-L175 WeakPolarHBondContact O-CB 3.45Å; R172-L175 PolarHBondContact O-N 3.45Å; R172-L175 VanDerWaalsContact O-N 3.1Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.27Å; L175-E177 VanDerWaalsContact C-N 3.28Å; L175-E177 PolarHBondContact O-N 3.37Å; L175-W178 HydrophobicContact CD2-CE3 4.21Å; L175-W178 HydrophobicContact CD2-CZ3 4.32Å; L175-W178 PolarHBondContact O-N 3.32Å; L175-W178 VanDerWaalsContact O-N 3.14Å; L175-L179 WeakPolarHBondContact O-CB 3.37Å; L175-L179 PolarHBondContact O-N 3.49Å
176	V	98.8	Very high	98.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-38.8	175	175.9	0	0	0	0	110.9	M152 R172 R173 R180 E185 W208 F213	M152-V176 HydrophobicContact CE-CG2 4.07Å; M152-V176 HydrophobicContact SD-CG2 4.36Å; R172-V176 WeakPolarHBondContact O-CG2 3.48Å; R172-V176 PolarHBondContact O-N 2.8Å; R173-V176 PolarHBondContact O-N 3.3Å; V176-R180 VanDerWaalsContact O-CA 3.25Å; V176-R180 WeakPolarHBondContact O-CA 3.26Å; V176-R180 PolarHBondContact O-N 2.96Å; V176-E185 HydrophobicContact CG1-CG 4.42Å; V176-E185 VanDerWaalsContact CG2-CD 3.42Å; V176-E185 HydrophobicContact CG2-CG 4.02Å; V176-E185 WeakPolarHBondContact CG2-OE2 3.44Å; V176-W208 HydrophobicContact CB-CH2 3.81Å; V176-W208 HydrophobicContact CB-CZ3 4.17Å; V176-W208 HydrophobicContact CG1-CH2 3.57Å; V176-W208 HydrophobicContact CG1-CZ3 3.97Å; V176-F213 HydrophobicContact CG1-CE2 3.72Å; V176-F213 HydrophobicContact CG1-CZ 3.79Å
177	E	98.8	Very high	98.7	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-38.8	174.2	-74.9	173.1	171.8	0	0	112.4	R173 V174 L175 R180 W208	R173-E177 HydrophobicContact CG-CG 4.36Å; R173-E177 IonicContact CZ-OE1 2.66Å; R173-E177 IonicContact NE-OE1 3.45Å; R173-E177 PolarHBondContact NE-OE1 2.86Å; R173-E177 IonicContact NH2-OE1 3.43Å; R173-E177 PolarHBondContact NH2-OE1 3.24Å; R173-E177 WeakPolarHBondContact O-CB 3.38Å; R173-E177 VanDerWaalsContact O-CG 3.32Å; R173-E177 WeakPolarHBondContact O-CG 3.47Å; R173-E177 PolarHBondContact O-N 3.07Å; V174-E177 PolarHBondContact O-N 3.4Å; L175-E177 VanDerWaalsContact C-N 3.28Å; L175-E177 PolarHBondContact O-N 3.37Å; E177-R180 WeakPolarHBondContact O-CD 3.43Å; E177-W208 HydrophobicContact CG-CH2 4.07Å; E177-W208 HydrophobicContact CG-CZ2 3.6Å
178	W	98.8	Very high	98.7	Very high	77 Å²	77	45.9 Å²	45.9	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-73.5	-42.3	178.2	-67.9	-5.3	0	0	0	112.8	R138 L141 K142 L148 V174 L175	R138-W178 HydrophobicContact CB-CH2 3.85Å; R138-W178 HydrophobicContact CG-CH2 3.97Å; L141-W178 HydrophobicContact CB-CZ3 4.16Å; L141-W178 HydrophobicContact CD1-CZ3 4.19Å; K142-W178 HydrophobicContact CD-CH2 4.16Å; K142-W178 HydrophobicContact CD-CZ2 4.07Å; K142-W178 HydrophobicContact CG-CH2 3.96Å; K142-W178 HydrophobicContact CG-CZ2 4.35Å; K142-W178 HydrophobicContact CG-CZ3 4.15Å; L148-W178 HydrophobicContact CD1-CB 3.83Å; L148-W178 HydrophobicContact CD1-CE3 3.93Å; L148-W178 HydrophobicContact CD2-CE3 3.92Å; L148-W178 HydrophobicContact CD2-CZ3 4.2Å; V174-W178 HydrophobicContact CG1-CD2 3.87Å; V174-W178 HydrophobicContact CG1-CE3 4.4Å; V174-W178 HydrophobicContact CG1-CG 4.42Å; V174-W178 HydrophobicContact CG1-CH2 3.93Å; V174-W178 HydrophobicContact CG1-CZ2 3.26Å; V174-W178 HydrophobicContact CG1-CZ3 4.44Å; V174-W178 VanDerWaalsContact O-CG 3.25Å; V174-W178 PolarHBondContact O-N 3.17Å; L175-W178 HydrophobicContact CD2-CE3 4.21Å; L175-W178 HydrophobicContact CD2-CZ3 4.32Å; L175-W178 PolarHBondContact O-N 3.32Å; L175-W178 VanDerWaalsContact O-N 3.14Å
179	L	98.6	Very high	98.7	Very high	48 Å²	48	45.9 Å²	45.9	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-75	-26.3	178.3	-74.9	170.7	0	0	0	112.5	L148 M152 L175 D181	L148-L179 HydrophobicContact CB-CD1 3.98Å; L148-L179 HydrophobicContact CB-CD2 3.79Å; L148-L179 HydrophobicContact CB-CG 3.89Å; L148-L179 HydrophobicContact CD1-CD2 4.18Å; L148-L179 HydrophobicContact CD1-CG 4.17Å; M152-L179 HydrophobicContact CG-CD1 3.83Å; L175-L179 WeakPolarHBondContact O-CB 3.37Å; L175-L179 PolarHBondContact O-N 3.49Å; L179-D181 HydrophobicContact CB-CB 4.07Å; L179-D181 PolarHBondContact O-N 2.93Å
180	R	98.6	Very high	98.7	Very high	134 Å²	134	46.6 Å²	46.6	51%	0.506	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	33.9	-168.2	-60.7	-61.5	-61.1	-177.8	1.7	112.4	V176 E177 E212	V176-R180 VanDerWaalsContact O-CA 3.25Å; V176-R180 WeakPolarHBondContact O-CA 3.26Å; V176-R180 PolarHBondContact O-N 2.96Å; E177-R180 WeakPolarHBondContact O-CD 3.43Å; R180-E212 IonicContact CZ-OE1 3.9Å; R180-E212 IonicContact NH1-OE1 3.72Å; R180-E212 PolarHBondContact NH1-OE1 3.25Å; R180-E212 IonicContact NH2-OE1 2.91Å; R180-E212 PolarHBondContact NH2-OE1 3.35Å
181	D	98.6	Very high	98.7	Very high	50 Å²	50	46 Å²	46	27%	0.267	23%	0.225	S	C	.	.			trans	-122.8	104.8	-176.9	-179.7	11.4	0	0	0	110.7	H149 L179 S183	H149-D181 IonicContact CE1-OD2 3.49Å; L179-D181 HydrophobicContact CB-CB 4.07Å; L179-D181 PolarHBondContact O-N 2.93Å; D181-S183 VanDerWaalsContact CG-OG 3.31Å; D181-S183 WeakPolarHBondContact OD1-CB 3.33Å; D181-S183 PolarHBondContact OD1-N 3.14Å; D181-S183 PolarHBondContact OD1-OG 3.4Å; D181-S183 PolarHBondContact OD2-OG 2.78Å
182	P	98.6	Very high	98.7	Very high	23 Å²	23	46.1 Å²	46.1	15%	0.149	23%	0.226	C	C	.	.			trans	-93.4	7.5	177.2	40	-38.6	0	0	0	113.2	Q184 E185 V209 F213 L215	P182-Q184 PolarHBondContact O-N 3.47Å; P182-Q184 VanDerWaalsContact O-N 3.13Å; P182-E185 HydrophobicContact CB-CG 4.36Å; P182-E185 WeakPolarHBondContact O-CB 3.25Å; P182-E185 PolarHBondContact O-N 2.85Å; P182-V209 HydrophobicContact CB-CG1 4.14Å; P182-F213 HydrophobicContact CB-CB 4.09Å; P182-F213 HydrophobicContact CB-CD1 3.99Å; P182-F213 HydrophobicContact CB-CD2 3.7Å; P182-F213 HydrophobicContact CB-CE1 4.31Å; P182-F213 HydrophobicContact CB-CE2 4.06Å; P182-F213 HydrophobicContact CB-CG 3.66Å; P182-F213 HydrophobicContact CB-CZ 4.34Å; P182-F213 HydrophobicContact CG-CB 3.85Å; P182-F213 HydrophobicContact CG-CD1 3.55Å; P182-F213 HydrophobicContact CG-CD2 4.17Å; P182-F213 HydrophobicContact CG-CE1 4.08Å; P182-F213 HydrophobicContact CG-CG 3.59Å; P182-L215 HydrophobicContact CB-CD1 4.04Å; P182-L215 HydrophobicContact CG-CD1 4.13Å
183	S	98.4	Very high	98.7	Very high	82 Å²	82	46.2 Å²	46.2	57%	0.573	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.5	-164.7	57.4	0	0	0	0	114.7	D181	D181-S183 VanDerWaalsContact CG-OG 3.31Å; D181-S183 WeakPolarHBondContact OD1-CB 3.33Å; D181-S183 PolarHBondContact OD1-N 3.14Å; D181-S183 PolarHBondContact OD1-OG 3.4Å; D181-S183 PolarHBondContact OD2-OG 2.78Å
184	Q	98.4	Very high	98.6	Very high	73 Å²	73	48.1 Å²	48.1	34%	0.341	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-12	-179	-60.6	178	35.4	0	0	113.3	P182 F188	P182-Q184 PolarHBondContact O-N 3.47Å; P182-Q184 VanDerWaalsContact O-N 3.13Å; Q184-F188 VanDerWaalsContact O-CB 3.28Å; Q184-F188 WeakPolarHBondContact O-CB 3.45Å; Q184-F188 PolarHBondContact O-N 3.33Å
185	E	98.8	Very high	98.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-44.8	-161.3	-63.9	-55.7	99.4	0	0	113	M152 R172 V176 P182 E187 I189 H205 V209	M152-E185 WeakPolarHBondContact CE-OE1 3.46Å; R172-E185 IonicContact CZ-OE1 3.29Å; R172-E185 VanDerWaalsContact CZ-OE1 3.25Å; R172-E185 IonicContact CZ-OE2 2.83Å; R172-E185 IonicContact NE-OE1 3.56Å; R172-E185 PolarHBondContact NE-OE1 2.92Å; R172-E185 IonicContact NE-OE2 2.76Å; R172-E185 PolarHBondContact NE-OE2 3.12Å; R172-E185 IonicContact NH2-OE1 3.75Å; R172-E185 PolarHBondContact NH2-OE1 3.15Å; R172-E185 IonicContact NH2-OE2 2.82Å; V176-E185 HydrophobicContact CG1-CG 4.42Å; V176-E185 VanDerWaalsContact CG2-CD 3.42Å; V176-E185 HydrophobicContact CG2-CG 4.02Å; V176-E185 WeakPolarHBondContact CG2-OE2 3.44Å; P182-E185 HydrophobicContact CB-CG 4.36Å; P182-E185 WeakPolarHBondContact O-CB 3.25Å; P182-E185 PolarHBondContact O-N 2.85Å; E185-E187 VanDerWaalsContact C-N 3.31Å; E185-E187 PolarHBondContact O-N 2.98Å; E185-I189 HydrophobicContact CB-CD1 4.36Å; E185-I189 VanDerWaalsContact O-CB 3.31Å; E185-I189 WeakPolarHBondContact O-CB 3.45Å; E185-I189 WeakPolarHBondContact O-CD1 3.25Å; E185-I189 WeakPolarHBondContact O-CG1 3.13Å; E185-I189 PolarHBondContact O-N 3.49Å; E185-H205 IonicContact OE2-CD2 3.44Å; E185-H205 IonicContact OE2-CE1 3.89Å; E185-H205 IonicContact OE2-NE2 3.85Å; E185-H205 PolarHBondContact OE2-NE2 3.47Å; E185-V209 HydrophobicContact CB-CB 4.41Å; E185-V209 HydrophobicContact CB-CG1 3.76Å; E185-V209 HydrophobicContact CB-CG2 3.87Å; E185-V209 HydrophobicContact CG-CG1 4.23Å; E185-V209 HydrophobicContact CG-CG2 3.93Å
186	L	98.8	Very high	98.5	Very high	49 Å²	49	56 Å²	56	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-31.1	-175.2	-61.8	-173.5	0	0	0	112.8	A190 R206 V209 I210 L215	L186-A190 WeakPolarHBondContact O-CB 3.25Å; L186-A190 PolarHBondContact O-N 3.17Å; L186-R206 HydrophobicContact CD2-CG 4.14Å; L186-R206 PolarHBondContact O-NH1 3.4Å; L186-V209 HydrophobicContact CD2-CG1 4.14Å; L186-I210 HydrophobicContact CD2-CD1 4.29Å; L186-I210 HydrophobicContact CD2-CG1 3.88Å; L186-L215 HydrophobicContact CD1-CB 4.07Å; L186-L215 HydrophobicContact CD1-CD1 4.13Å; L186-L215 HydrophobicContact CG-CD1 4.31Å
187	E	98.7	Very high	98.4	Very high	142 Å²	142	57.6 Å²	57.6	66%	0.664	29%	0.294	S	S	*	.	H	α-helix	trans	-72.5	-54.5	174.8	-175.8	173.1	-171.8	0	0	110.1	E185 I189 A190 D191	E185-E187 VanDerWaalsContact C-N 3.31Å; E185-E187 PolarHBondContact O-N 2.98Å; E187-I189 VanDerWaalsContact C-N 3.3Å; E187-I189 PolarHBondContact O-N 2.94Å; E187-A190 WeakPolarHBondContact O-CA 3.36Å; E187-A190 WeakPolarHBondContact O-CB 3.44Å; E187-A190 PolarHBondContact O-N 3.1Å; E187-D191 PolarHBondContact O-N 3.32Å
188	F	98.8	Very high	98.4	Very high	11 Å²	11	59.6 Å²	59.6	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-52.9	-46.1	176.3	167.2	-106.9	0	0	0	112.8	T156 I159 W169 R172 Q184 A190 D191 I192	T156-F188 HydrophobicContact CG2-CD2 3.8Å; T156-F188 HydrophobicContact CG2-CE2 3.73Å; I159-F188 HydrophobicContact CB-CZ 3.78Å; I159-F188 HydrophobicContact CD1-CE1 4.08Å; I159-F188 HydrophobicContact CD1-CZ 3.85Å; I159-F188 HydrophobicContact CG1-CZ 4.42Å; I159-F188 HydrophobicContact CG2-CE1 4.31Å; I159-F188 HydrophobicContact CG2-CZ 3.59Å; W169-F188 AromaticContact CH2-CE1 3.99Å; W169-F188 HydrophobicContact CH2-CE1 3.99Å; W169-F188 AromaticContact CZ3-CE1 3.92Å; W169-F188 HydrophobicContact CZ3-CE1 3.92Å; R172-F188 VanDerWaalsContact NE-CD1 3.32Å; Q184-F188 VanDerWaalsContact O-CB 3.28Å; Q184-F188 WeakPolarHBondContact O-CB 3.45Å; Q184-F188 PolarHBondContact O-N 3.33Å; F188-A190 VanDerWaalsContact C-N 3.29Å; F188-A190 PolarHBondContact O-N 3.39Å; F188-D191 PolarHBondContact O-N 2.8Å; F188-I192 HydrophobicContact CD2-CG1 4.5Å; F188-I192 HydrophobicContact CE1-CG1 4.29Å; F188-I192 HydrophobicContact CE2-CD1 4.06Å; F188-I192 HydrophobicContact CE2-CG1 3.94Å; F188-I192 HydrophobicContact CZ-CD1 4.17Å; F188-I192 HydrophobicContact CZ-CG1 3.84Å; F188-I192 WeakPolarHBondContact O-CG1 3.49Å; F188-I192 PolarHBondContact O-N 3.19Å; F188-I192 VanDerWaalsContact O-N 3.15Å
189	I	98.8	Very high	98.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-35.3	178.9	-64.3	161.4	0	0	0	111	W169 E185 E187 D191 I192 L193 A202 R206	W169-I189 HydrophobicContact CZ3-CG1 4.37Å; E185-I189 HydrophobicContact CB-CD1 4.36Å; E185-I189 VanDerWaalsContact O-CB 3.31Å; E185-I189 WeakPolarHBondContact O-CB 3.45Å; E185-I189 WeakPolarHBondContact O-CD1 3.25Å; E185-I189 WeakPolarHBondContact O-CG1 3.13Å; E185-I189 PolarHBondContact O-N 3.49Å; E187-I189 VanDerWaalsContact C-N 3.3Å; E187-I189 PolarHBondContact O-N 2.94Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 3.4Å; I189-I192 PolarHBondContact O-N 3.45Å; I189-L193 HydrophobicContact CG2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CG 4.15Å; I189-L193 WeakPolarHBondContact O-CB 3.49Å; I189-L193 VanDerWaalsContact O-CG 3.29Å; I189-L193 WeakPolarHBondContact O-CG 3.32Å; I189-L193 PolarHBondContact O-N 3.37Å; I189-A202 HydrophobicContact CG2-CB 4.22Å; I189-R206 HydrophobicContact CD1-CB 3.98Å; I189-R206 HydrophobicContact CD1-CG 4.11Å; I189-R206 HydrophobicContact CG2-CB 3.98Å; I189-R206 HydrophobicContact CG2-CG 4.08Å
190	A	98.6	Very high	98.3	Very high	26 Å²	26	61.7 Å²	61.7	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-38.4	176.4	0	0	0	0	0	111.2	L186 E187 F188 L193 N194 Y222	L186-A190 WeakPolarHBondContact O-CB 3.25Å; L186-A190 PolarHBondContact O-N 3.17Å; E187-A190 WeakPolarHBondContact O-CA 3.36Å; E187-A190 WeakPolarHBondContact O-CB 3.44Å; E187-A190 PolarHBondContact O-N 3.1Å; F188-A190 VanDerWaalsContact C-N 3.29Å; F188-A190 PolarHBondContact O-N 3.39Å; A190-L193 CarbonylContact O-C 3.48Å; A190-L193 PolarHBondContact O-N 3.28Å; A190-N194 WeakPolarHBondContact O-CB 3.44Å; A190-N194 PolarHBondContact O-N 2.97Å; A190-Y222 WeakPolarHBondContact CA-OH 3.35Å; A190-Y222 HydrophobicContact CB-CE2 4.09Å
191	D	98.4	Very high	98.3	Very high	82 Å²	82	56.2 Å²	56.2	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-42	175.4	-64.7	-26.9	0	0	0	112.1	E187 F188 I189 N194 Q195	E187-D191 PolarHBondContact O-N 3.32Å; F188-D191 PolarHBondContact O-N 2.8Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 3.4Å; D191-N194 WeakPolarHBondContact O-CB 3.48Å; D191-N194 PolarHBondContact O-N 3.29Å; D191-Q195 PolarHBondContact O-N 2.73Å
192	I	98.6	Very high	98.3	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-40.2	174.8	-60.3	-60.1	0	0	0	111.5	I159 E160 P163 W169 F188 I189 N194 Q195 D196 A202	I159-I192 HydrophobicContact CG2-CD1 4.1Å; I159-I192 HydrophobicContact CG2-CG1 4.35Å; E160-I192 HydrophobicContact CG-CD1 3.88Å; P163-I192 HydrophobicContact CB-CG2 4.26Å; W169-I192 HydrophobicContact CH2-CG1 4.33Å; W169-I192 HydrophobicContact CH2-CG2 4.32Å; W169-I192 HydrophobicContact CZ2-CG2 4.06Å; F188-I192 HydrophobicContact CD2-CG1 4.5Å; F188-I192 HydrophobicContact CE1-CG1 4.29Å; F188-I192 HydrophobicContact CE2-CD1 4.06Å; F188-I192 HydrophobicContact CE2-CG1 3.94Å; F188-I192 HydrophobicContact CZ-CD1 4.17Å; F188-I192 HydrophobicContact CZ-CG1 3.84Å; F188-I192 WeakPolarHBondContact O-CG1 3.49Å; F188-I192 PolarHBondContact O-N 3.19Å; F188-I192 VanDerWaalsContact O-N 3.15Å; I189-I192 PolarHBondContact O-N 3.45Å; I192-N194 VanDerWaalsContact C-N 3.3Å; I192-N194 PolarHBondContact O-N 3.42Å; I192-Q195 PolarHBondContact O-N 3.05Å; I192-D196 PolarHBondContact O-N 2.9Å; I192-A202 HydrophobicContact CG2-CB 4.05Å
193	L	98.5	Very high	98.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-71.8	-23.9	177.3	-71	176.9	0	0	0	112.7	I189 A190 Q195 D196 A197 N199 A202 W203 Y222	I189-L193 HydrophobicContact CG2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CG 4.15Å; I189-L193 WeakPolarHBondContact O-CB 3.49Å; I189-L193 VanDerWaalsContact O-CG 3.29Å; I189-L193 WeakPolarHBondContact O-CG 3.32Å; I189-L193 PolarHBondContact O-N 3.37Å; A190-L193 CarbonylContact O-C 3.48Å; A190-L193 PolarHBondContact O-N 3.28Å; L193-Q195 VanDerWaalsContact C-N 3.26Å; L193-Q195 PolarHBondContact O-N 2.91Å; L193-D196 CarbonylContact O-C 3.57Å; L193-D196 VanDerWaalsContact O-C 3.31Å; L193-A197 WeakPolarHBondContact O-CA 3.21Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.5Å; L193-N199 HydrophobicContact CD2-CB 4.49Å; L193-A202 HydrophobicContact CD2-CB 3.77Å; L193-A202 HydrophobicContact CG-CB 4.1Å; L193-W203 HydrophobicContact CD1-CD2 4.06Å; L193-W203 HydrophobicContact CD1-CE3 4.2Å; L193-W203 HydrophobicContact CD1-CH2 3.84Å; L193-W203 HydrophobicContact CD1-CZ2 3.69Å; L193-W203 HydrophobicContact CD1-CZ3 4.07Å; L193-W203 HydrophobicContact CD2-CD2 4.28Å; L193-W203 HydrophobicContact CD2-CG 4.29Å; L193-W203 HydrophobicContact CD2-CZ2 4.28Å; L193-Y222 HydrophobicContact CD1-CE1 4.25Å
194	N	97.9	Very high	98.4	Very high	134 Å²	134	54.4 Å²	54.4	72%	0.717	27%	0.266	S	S	*	.	H	α-helix	trans	-66.7	-31.8	171.4	-172.8	59.5	0	0	0	111.5	A190 D191 I192	A190-N194 WeakPolarHBondContact O-CB 3.44Å; A190-N194 PolarHBondContact O-N 2.97Å; D191-N194 WeakPolarHBondContact O-CB 3.48Å; D191-N194 PolarHBondContact O-N 3.29Å; I192-N194 VanDerWaalsContact C-N 3.3Å; I192-N194 PolarHBondContact O-N 3.42Å
195	Q	96.4	Very high	98.4	Very high	131 Å²	131	51.4 Å²	51.4	61%	0.612	25%	0.252	S	S	*	.	H	α-helix	trans	-82.6	-42.9	176.2	-61.1	174.3	52.5	0	0	112.6	D191 I192 L193	D191-Q195 PolarHBondContact O-N 2.73Å; I192-Q195 PolarHBondContact O-N 3.05Å; L193-Q195 VanDerWaalsContact C-N 3.26Å; L193-Q195 PolarHBondContact O-N 2.91Å
196	D	97.7	Very high	98.4	Very high	46 Å²	46	51.9 Å²	51.9	25%	0.246	25%	0.254	C	S	.	.			trans	-139	91.5	174	-177	-8.7	0	0	0	110	K164 I192 L193 K198 N199	K164-D196 WeakPolarHBondContact CE-OD2 3.47Å; K164-D196 IonicContact NZ-OD2 3.99Å; K164-D196 PolarHBondContact NZ-OD2 2.94Å; I192-D196 PolarHBondContact O-N 2.9Å; L193-D196 CarbonylContact O-C 3.57Å; L193-D196 VanDerWaalsContact O-C 3.31Å; D196-K198 PolarHBondContact O-N 2.95Å; D196-K198 PolarHBondContact OD1-N 3.32Å; D196-N199 HydrophobicContact CB-CB 4.24Å; D196-N199 WeakPolarHBondContact O-CB 3.41Å; D196-N199 PolarHBondContact O-N 3.44Å; D196-N199 PolarHBondContact OD1-N 3.21Å
197	A	98	Very high	98.4	Very high	33 Å²	33	51.7 Å²	51.7	27%	0.273	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-5.6	-177.2	0	0	0	0	0	114.3	L193 W203 N233	L193-A197 WeakPolarHBondContact O-CA 3.21Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.5Å; A197-W203 PolarHBondContact O-NE1 3.38Å; A197-N233 WeakPolarHBondContact CB-ND2 3.29Å; A197-N233 PolarHBondContact O-ND2 3.45Å
198	K	97.5	Very high	98.4	Very high	105 Å²	105	46 Å²	46	46%	0.457	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	10.7	-179.4	-60.9	-178.7	-173.4	175.3	0	112	D196 Y200 D230	D196-K198 PolarHBondContact O-N 2.95Å; D196-K198 PolarHBondContact OD1-N 3.32Å; K198-Y200 PolarHBondContact O-N 2.75Å; K198-D230 IonicContact NZ-OD2 3.05Å; K198-D230 PolarHBondContact NZ-OD2 2.9Å
199	N	98.5	Very high	98.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.222	C	C	.	.			trans	-58.6	113.1	176	-174.2	-50.3	0	0	0	110.8	P163 L193 D196 H201 A202 W203	P163-N199 PolarHBondContact O-ND2 3.45Å; L193-N199 HydrophobicContact CD2-CB 4.49Å; D196-N199 HydrophobicContact CB-CB 4.24Å; D196-N199 WeakPolarHBondContact O-CB 3.41Å; D196-N199 PolarHBondContact O-N 3.44Å; D196-N199 PolarHBondContact OD1-N 3.21Å; N199-H201 PolarHBondContact O-N 3.13Å; N199-H201 WeakPolarHBondContact OD1-CB 3.5Å; N199-H201 PolarHBondContact OD1-N 2.99Å; N199-A202 HydrophobicContact CB-CB 3.87Å; N199-A202 PolarHBondContact O-N 3.14Å; N199-A202 PolarHBondContact OD1-N 2.89Å; N199-W203 VanDerWaalsContact O-CD1 3.23Å; N199-W203 PolarHBondContact O-N 3.39Å; N199-W203 VanDerWaalsContact O-N 3.15Å
200	Y	98.3	Very high	98.4	Very high	166 Å²	166	45.5 Å²	45.5	65%	0.651	22%	0.222	S	C	*	.	H	α-helix	trans	-65.3	-38	-174.8	-169.3	-92.7	0	0	0	112.7	K198 Q204	K198-Y200 PolarHBondContact O-N 2.75Å; Y200-Q204 VanDerWaalsContact O-CB 3.28Å; Y200-Q204 WeakPolarHBondContact O-CB 3.42Å; Y200-Q204 PolarHBondContact O-N 3.18Å
201	H	98.6	Very high	98.4	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-40	179.5	-58.2	-74.1	0	0	0	111.9	Y166 W169 N199 Q204 H205	Y166-H201 AromaticContact CD1-CE1 3.57Å; Y166-H201 AromaticContact CD2-CE1 3.78Å; Y166-H201 AromaticContact CE1-CE1 3.48Å; Y166-H201 VanDerWaalsContact CE1-CE1 3.48Å; Y166-H201 WeakPolarHBondContact CE1-CE1 3.38Å; Y166-H201 AromaticContact CE2-CE1 3.69Å; Y166-H201 AromaticContact CG-CE1 3.72Å; Y166-H201 AromaticContact CZ-CE1 3.53Å; W169-H201 HydrophobicContact CB-CB 4.48Å; W169-H201 AromaticContact CD1-CG 3.71Å; W169-H201 HydrophobicContact CD2-CB 3.91Å; W169-H201 HydrophobicContact CG-CB 3.66Å; W169-H201 HydrophobicContact CZ2-CB 4.49Å; W169-H201 VanDerWaalsContact NE1-CB 3.28Å; W169-H201 AromaticContact NE1-CG 3.99Å; N199-H201 PolarHBondContact O-N 3.13Å; N199-H201 WeakPolarHBondContact OD1-CB 3.5Å; N199-H201 PolarHBondContact OD1-N 2.99Å; H201-Q204 PolarHBondContact O-N 3.46Å; H201-H205 VanDerWaalsContact O-CB 3.28Å; H201-H205 WeakPolarHBondContact O-CB 3.47Å; H201-H205 PolarHBondContact O-N 2.82Å
202	A	98.8	Very high	98.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-48.4	175.7	0	0	0	0	0	110.9	W169 I189 I192 L193 N199 H205 R206	W169-A202 HydrophobicContact CH2-CB 3.7Å; W169-A202 HydrophobicContact CZ2-CB 3.81Å; I189-A202 HydrophobicContact CG2-CB 4.22Å; I192-A202 HydrophobicContact CG2-CB 4.05Å; L193-A202 HydrophobicContact CD2-CB 3.77Å; L193-A202 HydrophobicContact CG-CB 4.1Å; N199-A202 HydrophobicContact CB-CB 3.87Å; N199-A202 PolarHBondContact O-N 3.14Å; N199-A202 PolarHBondContact OD1-N 2.89Å; A202-H205 PolarHBondContact O-N 3.35Å; A202-R206 WeakPolarHBondContact O-CB 3.46Å; A202-R206 PolarHBondContact O-N 2.87Å
203	W	98.9	Very high	98.4	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-44	175.1	-78.6	114.5	0	0	0	112.9	L193 A197 N199 H205 R206 Q207 Y222 L226 S235 V236 Q239	L193-W203 HydrophobicContact CD1-CD2 4.06Å; L193-W203 HydrophobicContact CD1-CE3 4.2Å; L193-W203 HydrophobicContact CD1-CH2 3.84Å; L193-W203 HydrophobicContact CD1-CZ2 3.69Å; L193-W203 HydrophobicContact CD1-CZ3 4.07Å; L193-W203 HydrophobicContact CD2-CD2 4.28Å; L193-W203 HydrophobicContact CD2-CG 4.29Å; L193-W203 HydrophobicContact CD2-CZ2 4.28Å; A197-W203 PolarHBondContact O-NE1 3.38Å; N199-W203 VanDerWaalsContact O-CD1 3.23Å; N199-W203 PolarHBondContact O-N 3.39Å; N199-W203 VanDerWaalsContact O-N 3.15Å; W203-H205 PolarHBondContact O-N 3.33Å; W203-R206 WeakPolarHBondContact O-CB 3.4Å; W203-R206 PolarHBondContact O-N 3.45Å; W203-Q207 WeakPolarHBondContact O-CG 3.32Å; W203-Q207 PolarHBondContact O-N 3.25Å; W203-Y222 AromaticContact CH2-CE1 3.99Å; W203-Y222 HydrophobicContact CH2-CE1 3.99Å; W203-Y222 HydrophobicContact CZ3-CE1 4.37Å; W203-L226 HydrophobicContact CH2-CD1 3.59Å; W203-L226 HydrophobicContact CZ2-CD1 3.71Å; W203-S235 VanDerWaalsContact CD1-CB 3.49Å; W203-S235 VanDerWaalsContact NE1-CB 3.29Å; W203-V236 HydrophobicContact CH2-CG2 4.2Å; W203-V236 HydrophobicContact CZ2-CG2 3.73Å; W203-Q239 HydrophobicContact CE3-CB 4.21Å; W203-Q239 HydrophobicContact CE3-CG 4.1Å; W203-Q239 HydrophobicContact CH2-CB 4.32Å; W203-Q239 HydrophobicContact CH2-CG 4.3Å; W203-Q239 HydrophobicContact CZ3-CB 3.83Å; W203-Q239 HydrophobicContact CZ3-CG 3.53Å
204	Q	98.8	Very high	98.4	Very high	107 Å²	107	58.9 Å²	58.9	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-44.2	177.3	-176.5	179	29.6	0	0	111.8	Y200 H201 W208	Y200-Q204 VanDerWaalsContact O-CB 3.28Å; Y200-Q204 WeakPolarHBondContact O-CB 3.42Å; Y200-Q204 PolarHBondContact O-N 3.18Å; H201-Q204 PolarHBondContact O-N 3.46Å; Q204-W208 PolarHBondContact O-N 3.07Å; Q204-W208 VanDerWaalsContact O-N 3.13Å
205	H	98.9	Very high	98.5	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-41.3	177.8	-168.5	67.5	0	0	0	111.1	W169 E185 H201 A202 W203 Q207 W208 V209	W169-H205 HydrophobicContact CE3-CB 3.58Å; W169-H205 AromaticContact CE3-CD2 3.86Å; W169-H205 AromaticContact CE3-CG 3.65Å; W169-H205 HydrophobicContact CZ3-CB 3.75Å; W169-H205 AromaticContact CZ3-CD2 3.7Å; W169-H205 AromaticContact CZ3-CG 3.86Å; E185-H205 IonicContact OE2-CD2 3.44Å; E185-H205 IonicContact OE2-CE1 3.89Å; E185-H205 IonicContact OE2-NE2 3.85Å; E185-H205 PolarHBondContact OE2-NE2 3.47Å; H201-H205 VanDerWaalsContact O-CB 3.28Å; H201-H205 WeakPolarHBondContact O-CB 3.47Å; H201-H205 PolarHBondContact O-N 2.82Å; A202-H205 PolarHBondContact O-N 3.35Å; W203-H205 PolarHBondContact O-N 3.33Å; H205-Q207 PolarHBondContact O-N 3.42Å; H205-W208 AromaticContact CE1-CE3 3.51Å; H205-W208 AromaticContact CE1-CZ3 3.41Å; H205-W208 VanDerWaalsContact CE1-CZ3 3.41Å; H205-W208 WeakPolarHBondContact CE1-CZ3 3.06Å; H205-W208 AromaticContact ND1-CE3 3.61Å; H205-W208 AromaticContact ND1-CZ3 4Å; H205-W208 WeakPolarHBondContact O-CB 3.45Å; H205-W208 PolarHBondContact O-N 2.76Å; H205-V209 WeakPolarHBondContact O-CG2 3.42Å; H205-V209 PolarHBondContact O-N 3.26Å
206	R	98.9	Very high	98.6	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.038	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-48.6	175.4	-155.6	177.5	174.8	82.6	4.8	112.3	L186 I189 A202 W203 W208 V209 I210 E219 Y222	L186-R206 HydrophobicContact CD2-CG 4.14Å; L186-R206 PolarHBondContact O-NH1 3.4Å; I189-R206 HydrophobicContact CD1-CB 3.98Å; I189-R206 HydrophobicContact CD1-CG 4.11Å; I189-R206 HydrophobicContact CG2-CB 3.98Å; I189-R206 HydrophobicContact CG2-CG 4.08Å; A202-R206 WeakPolarHBondContact O-CB 3.46Å; A202-R206 PolarHBondContact O-N 2.87Å; W203-R206 WeakPolarHBondContact O-CB 3.4Å; W203-R206 PolarHBondContact O-N 3.45Å; R206-W208 VanDerWaalsContact C-N 3.32Å; R206-W208 PolarHBondContact O-N 2.82Å; R206-V209 PolarHBondContact O-N 3.09Å; R206-I210 HydrophobicContact CG-CD1 3.91Å; R206-I210 WeakPolarHBondContact O-CB 3.37Å; R206-I210 VanDerWaalsContact O-CG1 3.25Å; R206-I210 WeakPolarHBondContact O-CG1 3.28Å; R206-I210 PolarHBondContact O-N 2.87Å; R206-E219 WeakPolarHBondContact CD-OE1 3.2Å; R206-E219 IonicContact CZ-OE1 3.39Å; R206-E219 IonicContact CZ-OE2 3.3Å; R206-E219 VanDerWaalsContact CZ-OE2 3.3Å; R206-E219 VanDerWaalsContact NE-CD 3.32Å; R206-E219 IonicContact NE-OE1 2.79Å; R206-E219 PolarHBondContact NE-OE1 2.94Å; R206-E219 IonicContact NE-OE2 2.82Å; R206-E219 PolarHBondContact NE-OE2 2.82Å; R206-E219 IonicContact NH2-OE1 2.66Å; R206-E219 IonicContact NH2-OE2 3.14Å; R206-E219 PolarHBondContact NH2-OE2 3.2Å; R206-Y222 VanDerWaalsContact CZ-CE1 3.48Å
207	Q	98.9	Very high	98.6	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-43.5	177.5	-72.3	-171.9	-4.8	0	0	111.6	W203 H205 I210 Q211 N238 F242	W203-Q207 WeakPolarHBondContact O-CG 3.32Å; W203-Q207 PolarHBondContact O-N 3.25Å; H205-Q207 PolarHBondContact O-N 3.42Å; Q207-I210 PolarHBondContact O-N 3.06Å; Q207-Q211 VanDerWaalsContact O-CB 3.26Å; Q207-Q211 WeakPolarHBondContact O-CB 3.43Å; Q207-Q211 PolarHBondContact O-N 3.48Å; Q207-N238 PolarHBondContact NE2-ND2 3.25Å; Q207-F242 HydrophobicContact CB-CE1 4.03Å; Q207-F242 HydrophobicContact CB-CE2 4.02Å; Q207-F242 HydrophobicContact CB-CZ 3.72Å; Q207-F242 HydrophobicContact CG-CD1 3.86Å; Q207-F242 HydrophobicContact CG-CD2 4.16Å; Q207-F242 HydrophobicContact CG-CE1 3.78Å; Q207-F242 HydrophobicContact CG-CE2 4.08Å; Q207-F242 HydrophobicContact CG-CG 4.05Å; Q207-F242 HydrophobicContact CG-CZ 3.89Å
208	W	98.9	Very high	98.6	Very high	24 Å²	24	60.7 Å²	60.7	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-50	176	167.6	69.5	0	0	0	111.9	R173 V176 E177 Q204 H205 R206 I210 Q211 E212 F213	R173-W208 HydrophobicContact CB-CE3 4.43Å; R173-W208 HydrophobicContact CB-CH2 4.41Å; R173-W208 HydrophobicContact CB-CZ3 4.18Å; R173-W208 HydrophobicContact CG-CD2 4.08Å; R173-W208 HydrophobicContact CG-CE3 4.01Å; R173-W208 HydrophobicContact CG-CH2 3.75Å; R173-W208 HydrophobicContact CG-CZ2 3.8Å; R173-W208 HydrophobicContact CG-CZ3 3.87Å; V176-W208 HydrophobicContact CB-CH2 3.81Å; V176-W208 HydrophobicContact CB-CZ3 4.17Å; V176-W208 HydrophobicContact CG1-CH2 3.57Å; V176-W208 HydrophobicContact CG1-CZ3 3.97Å; E177-W208 HydrophobicContact CG-CH2 4.07Å; E177-W208 HydrophobicContact CG-CZ2 3.6Å; Q204-W208 PolarHBondContact O-N 3.07Å; Q204-W208 VanDerWaalsContact O-N 3.13Å; H205-W208 AromaticContact CE1-CE3 3.51Å; H205-W208 AromaticContact CE1-CZ3 3.41Å; H205-W208 VanDerWaalsContact CE1-CZ3 3.41Å; H205-W208 WeakPolarHBondContact CE1-CZ3 3.06Å; H205-W208 AromaticContact ND1-CE3 3.61Å; H205-W208 AromaticContact ND1-CZ3 4Å; H205-W208 WeakPolarHBondContact O-CB 3.45Å; H205-W208 PolarHBondContact O-N 2.76Å; R206-W208 VanDerWaalsContact C-N 3.32Å; R206-W208 PolarHBondContact O-N 2.82Å; W208-I210 PolarHBondContact O-N 3.25Å; W208-Q211 PolarHBondContact O-N 3.03Å; W208-E212 HydrophobicContact CZ2-CG 4.28Å; W208-E212 VanDerWaalsContact O-CB 3.24Å; W208-E212 WeakPolarHBondContact O-CB 3.34Å; W208-E212 PolarHBondContact O-N 3.32Å; W208-F213 HydrophobicContact CH2-CE2 4.01Å; W208-F213 HydrophobicContact CZ2-CE2 4.2Å
209	V	98.9	Very high	98.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.2	-49.9	178.7	169.2	0	0	0	0	110.9	P182 E185 L186 H205 R206 Q211 F213 L215	P182-V209 HydrophobicContact CB-CG1 4.14Å; E185-V209 HydrophobicContact CB-CB 4.41Å; E185-V209 HydrophobicContact CB-CG1 3.76Å; E185-V209 HydrophobicContact CB-CG2 3.87Å; E185-V209 HydrophobicContact CG-CG1 4.23Å; E185-V209 HydrophobicContact CG-CG2 3.93Å; L186-V209 HydrophobicContact CD2-CG1 4.14Å; H205-V209 WeakPolarHBondContact O-CG2 3.42Å; H205-V209 PolarHBondContact O-N 3.26Å; R206-V209 PolarHBondContact O-N 3.09Å; V209-Q211 VanDerWaalsContact C-N 3.32Å; V209-Q211 PolarHBondContact O-N 3.05Å; V209-F213 HydrophobicContact CG1-CD2 4.5Å; V209-F213 WeakPolarHBondContact O-CB 3.26Å; V209-F213 WeakPolarHBondContact O-CD2 3.44Å; V209-F213 PolarHBondContact O-N 2.68Å; V209-L215 HydrophobicContact CG1-CD1 3.99Å
210	I	98.9	Very high	98.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-43.3	-179	-69.3	169.1	0	0	0	110.8	L186 R206 Q207 W208 K214 L215 W216 E219 F242	L186-I210 HydrophobicContact CD2-CD1 4.29Å; L186-I210 HydrophobicContact CD2-CG1 3.88Å; R206-I210 HydrophobicContact CG-CD1 3.91Å; R206-I210 WeakPolarHBondContact O-CB 3.37Å; R206-I210 VanDerWaalsContact O-CG1 3.25Å; R206-I210 WeakPolarHBondContact O-CG1 3.28Å; R206-I210 PolarHBondContact O-N 2.87Å; Q207-I210 PolarHBondContact O-N 3.06Å; W208-I210 PolarHBondContact O-N 3.25Å; I210-K214 CarbonylContact O-C 3.51Å; I210-K214 WeakPolarHBondContact O-CA 3.11Å; I210-K214 PolarHBondContact O-N 3.13Å; I210-L215 PolarHBondContact O-N 2.85Å; I210-W216 HydrophobicContact CG2-CD2 3.52Å; I210-W216 HydrophobicContact CG2-CE3 3.3Å; I210-W216 HydrophobicContact CG2-CG 4.2Å; I210-W216 HydrophobicContact CG2-CH2 3.88Å; I210-W216 HydrophobicContact CG2-CZ2 4.09Å; I210-W216 HydrophobicContact CG2-CZ3 3.5Å; I210-W216 VanDerWaalsContact CG2-CZ3 3.5Å; I210-E219 HydrophobicContact CD1-CB 4.19Å; I210-E219 HydrophobicContact CD1-CG 3.61Å; I210-E219 WeakPolarHBondContact CD1-OE1 3.35Å; I210-F242 HydrophobicContact CB-CE1 4.49Å; I210-F242 HydrophobicContact CG2-CE1 4.24Å
211	Q	98.7	Very high	98.6	Very high	109 Å²	109	55.9 Å²	55.9	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-71	-47.6	-177.9	-169.9	175.7	30.9	0	0	112.6	Q207 W208 V209 W216 F242	Q207-Q211 VanDerWaalsContact O-CB 3.26Å; Q207-Q211 WeakPolarHBondContact O-CB 3.43Å; Q207-Q211 PolarHBondContact O-N 3.48Å; W208-Q211 PolarHBondContact O-N 3.03Å; V209-Q211 VanDerWaalsContact C-N 3.32Å; V209-Q211 PolarHBondContact O-N 3.05Å; Q211-W216 HydrophobicContact CB-CH2 4.38Å; Q211-W216 HydrophobicContact CB-CZ2 4.24Å; Q211-W216 HydrophobicContact CG-CZ2 4.35Å; Q211-F242 HydrophobicContact CB-CZ 4.44Å
212	E	98.7	Very high	98.7	Very high	85 Å²	85	56.4 Å²	56.4	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-41.8	-177.4	178	61.1	-157.7	0	0	111.6	R180 W208	R180-E212 IonicContact CZ-OE1 3.9Å; R180-E212 IonicContact NH1-OE1 3.72Å; R180-E212 PolarHBondContact NH1-OE1 3.25Å; R180-E212 IonicContact NH2-OE1 2.91Å; R180-E212 PolarHBondContact NH2-OE1 3.35Å; W208-E212 HydrophobicContact CZ2-CG 4.28Å; W208-E212 VanDerWaalsContact O-CB 3.24Å; W208-E212 WeakPolarHBondContact O-CB 3.34Å; W208-E212 PolarHBondContact O-N 3.32Å
213	F	98.6	Very high	98.7	Very high	37 Å²	37	56.4 Å²	56.4	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-104.1	5.1	-175.2	-61.9	-86.7	0	0	0	114	V176 P182 W208 V209 L215	V176-F213 HydrophobicContact CG1-CE2 3.72Å; V176-F213 HydrophobicContact CG1-CZ 3.79Å; P182-F213 HydrophobicContact CB-CB 4.09Å; P182-F213 HydrophobicContact CB-CD1 3.99Å; P182-F213 HydrophobicContact CB-CD2 3.7Å; P182-F213 HydrophobicContact CB-CE1 4.31Å; P182-F213 HydrophobicContact CB-CE2 4.06Å; P182-F213 HydrophobicContact CB-CG 3.66Å; P182-F213 HydrophobicContact CB-CZ 4.34Å; P182-F213 HydrophobicContact CG-CB 3.85Å; P182-F213 HydrophobicContact CG-CD1 3.55Å; P182-F213 HydrophobicContact CG-CD2 4.17Å; P182-F213 HydrophobicContact CG-CE1 4.08Å; P182-F213 HydrophobicContact CG-CG 3.59Å; W208-F213 HydrophobicContact CH2-CE2 4.01Å; W208-F213 HydrophobicContact CZ2-CE2 4.2Å; V209-F213 HydrophobicContact CG1-CD2 4.5Å; V209-F213 WeakPolarHBondContact O-CB 3.26Å; V209-F213 WeakPolarHBondContact O-CD2 3.44Å; V209-F213 PolarHBondContact O-N 2.68Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 HydrophobicContact CB-CD1 4.21Å; F213-L215 HydrophobicContact CB-CG 3.95Å; F213-L215 PolarHBondContact O-N 2.95Å
214	K	98.7	Very high	98.7	Very high	163 Å²	163	59 Å²	59	71%	0.709	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	37	177.3	-55.9	177	-179.8	-71.6	0	114.3	I210 W216	I210-K214 CarbonylContact O-C 3.51Å; I210-K214 WeakPolarHBondContact O-CA 3.11Å; I210-K214 PolarHBondContact O-N 3.13Å; K214-W216 VanDerWaalsContact C-CD1 3.46Å; K214-W216 VanDerWaalsContact C-N 3.28Å; K214-W216 PolarHBondContact O-N 3.3Å
215	L	98.6	Very high	98.7	Very high	60 Å²	60	58.9 Å²	58.9	31%	0.314	28%	0.275	S	S	.	.			trans	-86.6	55.8	-175.9	-56.4	-179.8	0	0	0	112.8	P182 L186 V209 I210 F213	P182-L215 HydrophobicContact CB-CD1 4.04Å; P182-L215 HydrophobicContact CG-CD1 4.13Å; L186-L215 HydrophobicContact CD1-CB 4.07Å; L186-L215 HydrophobicContact CD1-CD1 4.13Å; L186-L215 HydrophobicContact CG-CD1 4.31Å; V209-L215 HydrophobicContact CG1-CD1 3.99Å; I210-L215 PolarHBondContact O-N 2.85Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 HydrophobicContact CB-CD1 4.21Å; F213-L215 HydrophobicContact CB-CG 3.95Å; F213-L215 PolarHBondContact O-N 2.95Å
216	W	98.6	Very high	98.6	Very high	48 Å²	48	59 Å²	59	18%	0.182	28%	0.276	C	S	.	.			trans	-85.3	-25.3	-171.1	-56.7	99.4	0	0	0	115.1	I210 Q211 K214 N218 E219 F242 N246 T247	I210-W216 HydrophobicContact CG2-CD2 3.52Å; I210-W216 HydrophobicContact CG2-CE3 3.3Å; I210-W216 HydrophobicContact CG2-CG 4.2Å; I210-W216 HydrophobicContact CG2-CH2 3.88Å; I210-W216 HydrophobicContact CG2-CZ2 4.09Å; I210-W216 HydrophobicContact CG2-CZ3 3.5Å; I210-W216 VanDerWaalsContact CG2-CZ3 3.5Å; Q211-W216 HydrophobicContact CB-CH2 4.38Å; Q211-W216 HydrophobicContact CB-CZ2 4.24Å; Q211-W216 HydrophobicContact CG-CZ2 4.35Å; K214-W216 VanDerWaalsContact C-CD1 3.46Å; K214-W216 VanDerWaalsContact C-N 3.28Å; K214-W216 PolarHBondContact O-N 3.3Å; W216-N218 VanDerWaalsContact C-N 3.32Å; W216-N218 PolarHBondContact O-N 3.04Å; W216-N218 VanDerWaalsContact O-N 3.15Å; W216-E219 PolarHBondContact O-N 3.41Å; W216-F242 HydrophobicContact CE3-CE1 4.48Å; W216-F242 AromaticContact CH2-CE1 3.74Å; W216-F242 HydrophobicContact CH2-CE1 3.74Å; W216-F242 HydrophobicContact CH2-CE2 4.22Å; W216-F242 AromaticContact CH2-CZ 3.5Å; W216-F242 HydrophobicContact CH2-CZ 3.5Å; W216-F242 VanDerWaalsContact CH2-CZ 3.5Å; W216-F242 HydrophobicContact CZ3-CD1 4.03Å; W216-F242 AromaticContact CZ3-CE1 3.39Å; W216-F242 HydrophobicContact CZ3-CE1 3.39Å; W216-F242 AromaticContact CZ3-CZ 3.7Å; W216-F242 HydrophobicContact CZ3-CZ 3.7Å; W216-N246 HydrophobicContact CE3-CB 4.36Å; W216-N246 HydrophobicContact CH2-CB 3.35Å; W216-N246 HydrophobicContact CZ2-CB 3.93Å; W216-N246 HydrophobicContact CZ3-CB 3.59Å; W216-T247 HydrophobicContact CB-CG2 3.84Å; W216-T247 HydrophobicContact CD2-CG2 4.04Å; W216-T247 HydrophobicContact CE3-CG2 4.02Å; W216-T247 HydrophobicContact CG-CG2 3.98Å
217	E	97.1	Very high	98.6	Very high	176 Å²	176	58.8 Å²	58.8	82%	0.822	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-41.3	-160.8	-171.9	173.3	-174	0	0	114.4
218	N	98.1	Very high	98.6	Very high	98 Å²	98	65.6 Å²	65.6	52%	0.524	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.1	-174	-60	-37.9	0	0	0	113.7	W216 L220 Q221 Y222	W216-N218 VanDerWaalsContact C-N 3.32Å; W216-N218 PolarHBondContact O-N 3.04Å; W216-N218 VanDerWaalsContact O-N 3.15Å; N218-L220 PolarHBondContact O-N 2.92Å; N218-Q221 WeakPolarHBondContact O-CB 3.05Å; N218-Q221 PolarHBondContact O-N 3.04Å; N218-Y222 PolarHBondContact O-N 2.88Å; N218-Y222 VanDerWaalsContact O-N 3.1Å
219	E	98.8	Very high	98.6	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-32.8	-170.1	-172.1	66.8	179.1	0	0	112.5	R206 I210 W216 Q221 Y222 V223 Q239 V243	R206-E219 WeakPolarHBondContact CD-OE1 3.2Å; R206-E219 IonicContact CZ-OE1 3.39Å; R206-E219 IonicContact CZ-OE2 3.3Å; R206-E219 VanDerWaalsContact CZ-OE2 3.3Å; R206-E219 VanDerWaalsContact NE-CD 3.32Å; R206-E219 IonicContact NE-OE1 2.79Å; R206-E219 PolarHBondContact NE-OE1 2.94Å; R206-E219 IonicContact NE-OE2 2.82Å; R206-E219 PolarHBondContact NE-OE2 2.82Å; R206-E219 IonicContact NH2-OE1 2.66Å; R206-E219 IonicContact NH2-OE2 3.14Å; R206-E219 PolarHBondContact NH2-OE2 3.2Å; I210-E219 HydrophobicContact CD1-CB 4.19Å; I210-E219 HydrophobicContact CD1-CG 3.61Å; I210-E219 WeakPolarHBondContact CD1-OE1 3.35Å; W216-E219 PolarHBondContact O-N 3.41Å; E219-Q221 VanDerWaalsContact C-N 3.3Å; E219-Q221 PolarHBondContact O-N 3.39Å; E219-Y222 WeakPolarHBondContact O-CB 3.39Å; E219-Y222 PolarHBondContact O-N 3.31Å; E219-V223 WeakPolarHBondContact O-CG2 3.44Å; E219-V223 PolarHBondContact O-N 3.29Å; E219-Q239 HydrophobicContact CG-CG 4.45Å; E219-Q239 PolarHBondContact OE1-NE2 3.43Å; E219-V243 HydrophobicContact CB-CG2 3.85Å; E219-V243 HydrophobicContact CG-CG2 3.31Å
220	L	98.6	Very high	98.5	Very high	42 Å²	42	72.8 Å²	72.8	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-66.8	-34.7	175.5	-168.9	61.7	0	0	0	111.7	N218 V223 D224 R240 V243 I244	N218-L220 PolarHBondContact O-N 2.92Å; L220-V223 WeakPolarHBondContact O-CB 3.49Å; L220-V223 PolarHBondContact O-N 3.14Å; L220-D224 VanDerWaalsContact O-CG 3.25Å; L220-D224 PolarHBondContact O-N 3.4Å; L220-R240 HydrophobicContact CD1-CG 4.24Å; L220-V243 HydrophobicContact CB-CG1 4.14Å; L220-I244 HydrophobicContact CD1-CD1 4.28Å; L220-I244 HydrophobicContact CD1-CG1 4.23Å
221	Q	98.8	Very high	98.5	Very high	129 Å²	129	73.8 Å²	73.8	60%	0.603	35%	0.347	S	S	*	.	H	α-helix	trans	-66.4	-40.3	174.6	-61.5	174.8	-0.1	0	0	111	N218 E219 D224 Q225	N218-Q221 WeakPolarHBondContact O-CB 3.05Å; N218-Q221 PolarHBondContact O-N 3.04Å; E219-Q221 VanDerWaalsContact C-N 3.3Å; E219-Q221 PolarHBondContact O-N 3.39Å; Q221-D224 PolarHBondContact O-N 3.12Å; Q221-Q225 PolarHBondContact O-N 3.06Å
222	Y	98.8	Very high	98.5	Very high	30 Å²	30	75 Å²	75	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-42.7	174.3	-176.3	-114.2	0	0	0	111.9	A190 L193 W203 R206 N218 E219 D224 Q225 L226	A190-Y222 WeakPolarHBondContact CA-OH 3.35Å; A190-Y222 HydrophobicContact CB-CE2 4.09Å; L193-Y222 HydrophobicContact CD1-CE1 4.25Å; W203-Y222 AromaticContact CH2-CE1 3.99Å; W203-Y222 HydrophobicContact CH2-CE1 3.99Å; W203-Y222 HydrophobicContact CZ3-CE1 4.37Å; R206-Y222 VanDerWaalsContact CZ-CE1 3.48Å; N218-Y222 PolarHBondContact O-N 2.88Å; N218-Y222 VanDerWaalsContact O-N 3.1Å; E219-Y222 WeakPolarHBondContact O-CB 3.39Å; E219-Y222 PolarHBondContact O-N 3.31Å; Y222-D224 PolarHBondContact O-N 2.87Å; Y222-Q225 WeakPolarHBondContact O-CB 3.3Å; Y222-Q225 PolarHBondContact O-N 3.31Å; Y222-L226 HydrophobicContact CD1-CD1 4.16Å; Y222-L226 HydrophobicContact CE1-CD1 3.55Å; Y222-L226 HydrophobicContact CE1-CG 4.34Å; Y222-L226 HydrophobicContact CE2-CD1 4.28Å; Y222-L226 HydrophobicContact CE2-CD2 4.42Å; Y222-L226 HydrophobicContact CE2-CG 4.3Å; Y222-L226 WeakPolarHBondContact O-CG 3.31Å; Y222-L226 PolarHBondContact O-N 3.05Å
223	V	98.9	Very high	98.5	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-47.1	172.4	163.7	0	0	0	0	111.4	E219 L220 Q225 L226 L227 V236 Q239 R240	E219-V223 WeakPolarHBondContact O-CG2 3.44Å; E219-V223 PolarHBondContact O-N 3.29Å; L220-V223 WeakPolarHBondContact O-CB 3.49Å; L220-V223 PolarHBondContact O-N 3.14Å; V223-Q225 VanDerWaalsContact C-N 3.3Å; V223-Q225 PolarHBondContact O-N 2.94Å; V223-L226 PolarHBondContact O-N 3.14Å; V223-L227 HydrophobicContact CG1-CD1 4.03Å; V223-L227 HydrophobicContact CG1-CG 4.48Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.36Å; V223-V236 HydrophobicContact CB-CG1 4.3Å; V223-V236 HydrophobicContact CG1-CG1 3.91Å; V223-V236 HydrophobicContact CG2-CG1 4.45Å; V223-V236 WeakPolarHBondContact O-CG1 3.4Å; V223-Q239 HydrophobicContact CG2-CB 3.92Å; V223-Q239 HydrophobicContact CG2-CG 3.61Å; V223-R240 HydrophobicContact CG1-CB 3.63Å; V223-R240 HydrophobicContact CG1-CG 3.9Å
224	D	98.8	Very high	98.5	Very high	64 Å²	64	73.4 Å²	73.4	34%	0.342	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-39.4	178.9	-71.6	-26.6	0	0	0	111.7	L220 Q221 Y222 K228 R240	L220-D224 VanDerWaalsContact O-CG 3.25Å; L220-D224 PolarHBondContact O-N 3.4Å; Q221-D224 PolarHBondContact O-N 3.12Å; Y222-D224 PolarHBondContact O-N 2.87Å; D224-K228 PolarHBondContact O-N 2.73Å; D224-K228 VanDerWaalsContact O-N 3.14Å; D224-R240 IonicContact OD1-CZ 3.77Å; D224-R240 IonicContact OD1-NH1 2.73Å; D224-R240 PolarHBondContact OD1-NH1 2.87Å; D224-R240 IonicContact OD1-NH2 3.79Å
225	Q	98.7	Very high	98.5	Very high	105 Å²	105	67 Å²	67	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-53.1	174	-179.9	-171.8	-30.5	0	0	111.1	Q221 Y222 V223 L227 K228 E229	Q221-Q225 PolarHBondContact O-N 3.06Å; Y222-Q225 WeakPolarHBondContact O-CB 3.3Å; Y222-Q225 PolarHBondContact O-N 3.31Å; V223-Q225 VanDerWaalsContact C-N 3.3Å; V223-Q225 PolarHBondContact O-N 2.94Å; Q225-L227 VanDerWaalsContact C-N 3.34Å; Q225-L227 PolarHBondContact O-N 3Å; Q225-K228 WeakPolarHBondContact O-CA 3.5Å; Q225-K228 VanDerWaalsContact O-CB 3.3Å; Q225-K228 WeakPolarHBondContact O-CB 3.46Å; Q225-K228 PolarHBondContact O-N 3.4Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.49Å; Q225-E229 PolarHBondContact NE2-OE1 2.87Å; Q225-E229 PolarHBondContact O-N 3.1Å; Q225-E229 VanDerWaalsContact O-N 3.12Å
226	L	98.5	Very high	98.5	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-68.4	-30.8	-176.5	-65.1	-177.1	0	0	0	113.2	W203 Y222 V223 K228 E229 D230 V236	W203-L226 HydrophobicContact CH2-CD1 3.59Å; W203-L226 HydrophobicContact CZ2-CD1 3.71Å; Y222-L226 HydrophobicContact CD1-CD1 4.16Å; Y222-L226 HydrophobicContact CE1-CD1 3.55Å; Y222-L226 HydrophobicContact CE1-CG 4.34Å; Y222-L226 HydrophobicContact CE2-CD1 4.28Å; Y222-L226 HydrophobicContact CE2-CD2 4.42Å; Y222-L226 HydrophobicContact CE2-CG 4.3Å; Y222-L226 WeakPolarHBondContact O-CG 3.31Å; Y222-L226 PolarHBondContact O-N 3.05Å; V223-L226 PolarHBondContact O-N 3.14Å; L226-K228 VanDerWaalsContact C-N 3.28Å; L226-E229 WeakPolarHBondContact CD2-OE2 3.46Å; L226-E229 PolarHBondContact O-N 2.97Å; L226-D230 PolarHBondContact O-N 3.35Å; L226-V236 HydrophobicContact CB-CB 4.46Å; L226-V236 HydrophobicContact CB-CG1 3.87Å; L226-V236 HydrophobicContact CB-CG2 3.71Å; L226-V236 HydrophobicContact CD1-CG2 3.91Å
227	L	98.8	Very high	98.6	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-68.7	-28.9	171.9	-72.6	177.2	0	0	0	112.4	V223 Q225 E229 D230 V231 V236 W237 Y262	V223-L227 HydrophobicContact CG1-CD1 4.03Å; V223-L227 HydrophobicContact CG1-CG 4.48Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.36Å; Q225-L227 VanDerWaalsContact C-N 3.34Å; Q225-L227 PolarHBondContact O-N 3Å; L227-E229 VanDerWaalsContact C-N 3.35Å; L227-D230 CarbonylContact O-C 3.06Å; L227-V231 VanDerWaalsContact O-CA 3.28Å; L227-V231 WeakPolarHBondContact O-CA 3.37Å; L227-V231 WeakPolarHBondContact O-CB 3.43Å; L227-V231 PolarHBondContact O-N 3.07Å; L227-V236 HydrophobicContact CD1-CG1 4.37Å; L227-V236 HydrophobicContact CD2-CB 3.93Å; L227-V236 HydrophobicContact CD2-CG1 3.73Å; L227-V236 HydrophobicContact CG-CB 4.33Å; L227-V236 HydrophobicContact CG-CG1 3.56Å; L227-W237 HydrophobicContact CD1-CD2 4.44Å; L227-W237 HydrophobicContact CD1-CZ2 4.45Å; L227-W237 HydrophobicContact CD2-CD2 4.1Å; L227-W237 HydrophobicContact CD2-CG 4.1Å; L227-W237 HydrophobicContact CD2-CZ2 4.3Å; L227-Y262 HydrophobicContact CD1-CE1 4.09Å; L227-Y262 WeakPolarHBondContact CD1-OH 3.46Å
228	K	98.4	Very high	98.6	Very high	189 Å²	189	57.8 Å²	57.8	82%	0.822	28%	0.279	S	S	*	.	H	α-helix	trans	-70.8	-33.5	172.6	-174.1	179.9	177.1	-176.6	0	111.7	D224 Q225 L226	D224-K228 PolarHBondContact O-N 2.73Å; D224-K228 VanDerWaalsContact O-N 3.14Å; Q225-K228 WeakPolarHBondContact O-CA 3.5Å; Q225-K228 VanDerWaalsContact O-CB 3.3Å; Q225-K228 WeakPolarHBondContact O-CB 3.46Å; Q225-K228 PolarHBondContact O-N 3.4Å; L226-K228 VanDerWaalsContact C-N 3.28Å
229	E	97.8	Very high	98.7	Very high	119 Å²	119	53.1 Å²	53.1	56%	0.556	25%	0.254	S	S	*	.	H	α-helix	trans	-73.6	-51.3	175.8	-66.8	169.9	-159.9	0	0	112	Q225 L226 L227	Q225-E229 WeakPolarHBondContact CG-OE1 3.49Å; Q225-E229 PolarHBondContact NE2-OE1 2.87Å; Q225-E229 PolarHBondContact O-N 3.1Å; Q225-E229 VanDerWaalsContact O-N 3.12Å; L226-E229 WeakPolarHBondContact CD2-OE2 3.46Å; L226-E229 PolarHBondContact O-N 2.97Å; L227-E229 VanDerWaalsContact C-N 3.35Å
230	D	98.6	Very high	98.7	Very high	56 Å²	56	53.4 Å²	53.4	30%	0.299	26%	0.255	S	S	.	.			trans	-141.8	97.3	172.8	179.6	15.5	0	0	0	111.6	K198 L226 L227 R232 N233	K198-D230 IonicContact NZ-OD2 3.05Å; K198-D230 PolarHBondContact NZ-OD2 2.9Å; L226-D230 PolarHBondContact O-N 3.35Å; L227-D230 CarbonylContact O-C 3.06Å; D230-R232 PolarHBondContact O-N 3.32Å; D230-R232 VanDerWaalsContact O-N 3.08Å; D230-R232 WeakPolarHBondContact OD1-CA 3.5Å; D230-R232 VanDerWaalsContact OD1-CB 3.31Å; D230-R232 WeakPolarHBondContact OD1-CB 3.28Å; D230-R232 PolarHBondContact OD1-N 3.08Å; D230-N233 HydrophobicContact CB-CB 4.29Å; D230-N233 VanDerWaalsContact O-CB 3.29Å; D230-N233 WeakPolarHBondContact O-CB 3.49Å; D230-N233 PolarHBondContact O-N 2.9Å
231	V	98.6	Very high	98.7	Very high	21 Å²	21	55.8 Å²	55.8	13%	0.127	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-14	176.6	74.4	0	0	0	0	113.3	L227 N233 W237 M266 V270 N273	L227-V231 VanDerWaalsContact O-CA 3.28Å; L227-V231 WeakPolarHBondContact O-CA 3.37Å; L227-V231 WeakPolarHBondContact O-CB 3.43Å; L227-V231 PolarHBondContact O-N 3.07Å; V231-N233 VanDerWaalsContact C-N 3.34Å; V231-W237 HydrophobicContact CG2-CZ2 3.98Å; V231-W237 PolarHBondContact O-NE1 3.15Å; V231-M266 HydrophobicContact CG2-CB 4.13Å; V231-M266 HydrophobicContact CG2-CG 4.08Å; V231-M266 HydrophobicContact CG2-SD 3.86Å; V231-V270 HydrophobicContact CG1-CB 4.43Å; V231-V270 HydrophobicContact CG1-CG2 3.85Å; V231-N273 PolarHBondContact O-ND2 2.98Å
232	R	98.6	Very high	98.7	Very high	135 Å²	135	50.7 Å²	50.7	51%	0.509	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.2	174.7	-59.3	-175.7	174.7	78.4	-4.5	112.7	D230 N234 N273	D230-R232 PolarHBondContact O-N 3.32Å; D230-R232 VanDerWaalsContact O-N 3.08Å; D230-R232 WeakPolarHBondContact OD1-CA 3.5Å; D230-R232 VanDerWaalsContact OD1-CB 3.31Å; D230-R232 WeakPolarHBondContact OD1-CB 3.28Å; D230-R232 PolarHBondContact OD1-N 3.08Å; R232-N234 PolarHBondContact O-N 2.99Å; R232-N273 HydrophobicContact CG-CB 4.33Å
233	N	98.6	Very high	98.7	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	23%	0.233	C	C	.	.			trans	-72.5	97	179.2	-169.2	-19.6	0	0	0	111.1	A197 D230 V231 S235 V236 W237	A197-N233 WeakPolarHBondContact CB-ND2 3.29Å; A197-N233 PolarHBondContact O-ND2 3.45Å; D230-N233 HydrophobicContact CB-CB 4.29Å; D230-N233 VanDerWaalsContact O-CB 3.29Å; D230-N233 WeakPolarHBondContact O-CB 3.49Å; D230-N233 PolarHBondContact O-N 2.9Å; V231-N233 VanDerWaalsContact C-N 3.34Å; N233-S235 PolarHBondContact O-N 3.4Å; N233-S235 WeakPolarHBondContact OD1-CB 3.33Å; N233-S235 PolarHBondContact OD1-N 2.98Å; N233-S235 VanDerWaalsContact OD1-N 3.07Å; N233-V236 HydrophobicContact CB-CB 4.29Å; N233-V236 HydrophobicContact CB-CG2 3.83Å; N233-V236 VanDerWaalsContact CG-CG2 3.48Å; N233-V236 PolarHBondContact O-N 3.44Å; N233-W237 PolarHBondContact O-N 3.33Å
234	N	98.7	Very high	98.7	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-30.2	-179.5	-164	77	0	0	0	113.5	R232 V236 W237 N238 S275	R232-N234 PolarHBondContact O-N 2.99Å; N234-V236 VanDerWaalsContact C-N 3.26Å; N234-V236 PolarHBondContact O-N 3.46Å; N234-W237 PolarHBondContact O-N 2.92Å; N234-N238 WeakPolarHBondContact O-CB 3.5Å; N234-N238 PolarHBondContact O-N 3.39Å; N234-S275 WeakPolarHBondContact CB-OG 3.44Å; N234-S275 PolarHBondContact OD1-OG 3.1Å
235	S	98.8	Very high	98.7	Very high	29 Å²	29	48.6 Å²	48.6	20%	0.203	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-35.2	176.5	-56.6	0	0	0	0	111.3	W203 N233 N238 Q239	W203-S235 VanDerWaalsContact CD1-CB 3.49Å; W203-S235 VanDerWaalsContact NE1-CB 3.29Å; N233-S235 PolarHBondContact O-N 3.4Å; N233-S235 WeakPolarHBondContact OD1-CB 3.33Å; N233-S235 PolarHBondContact OD1-N 2.98Å; N233-S235 VanDerWaalsContact OD1-N 3.07Å; S235-N238 WeakPolarHBondContact O-CB 3.45Å; S235-N238 PolarHBondContact O-N 3.4Å; S235-Q239 WeakPolarHBondContact O-CB 3.28Å; S235-Q239 PolarHBondContact O-N 2.96Å
236	V	98.9	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-74.7	-39.1	178.4	-174.3	0	0	0	0	111.2	W203 V223 L226 L227 N233 N234 N238 Q239 R240	W203-V236 HydrophobicContact CH2-CG2 4.2Å; W203-V236 HydrophobicContact CZ2-CG2 3.73Å; V223-V236 HydrophobicContact CB-CG1 4.3Å; V223-V236 HydrophobicContact CG1-CG1 3.91Å; V223-V236 HydrophobicContact CG2-CG1 4.45Å; V223-V236 WeakPolarHBondContact O-CG1 3.4Å; L226-V236 HydrophobicContact CB-CB 4.46Å; L226-V236 HydrophobicContact CB-CG1 3.87Å; L226-V236 HydrophobicContact CB-CG2 3.71Å; L226-V236 HydrophobicContact CD1-CG2 3.91Å; L227-V236 HydrophobicContact CD1-CG1 4.37Å; L227-V236 HydrophobicContact CD2-CB 3.93Å; L227-V236 HydrophobicContact CD2-CG1 3.73Å; L227-V236 HydrophobicContact CG-CB 4.33Å; L227-V236 HydrophobicContact CG-CG1 3.56Å; N233-V236 HydrophobicContact CB-CB 4.29Å; N233-V236 HydrophobicContact CB-CG2 3.83Å; N233-V236 VanDerWaalsContact CG-CG2 3.48Å; N233-V236 PolarHBondContact O-N 3.44Å; N234-V236 VanDerWaalsContact C-N 3.26Å; N234-V236 PolarHBondContact O-N 3.46Å; V236-N238 VanDerWaalsContact C-N 3.31Å; V236-N238 PolarHBondContact O-N 2.83Å; V236-Q239 CarbonylContact O-C 3.58Å; V236-Q239 WeakPolarHBondContact O-CB 3.38Å; V236-Q239 PolarHBondContact O-N 3.37Å; V236-Q239 VanDerWaalsContact O-N 3.14Å; V236-R240 PolarHBondContact O-N 2.91Å
237	W	98.9	Very high	98.7	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-40	170.7	-75.2	99.7	0	0	0	112.3	L227 V231 N233 N234 Q239 R240 Y241 Y262 T263 M266 S275 A276 Y279	L227-W237 HydrophobicContact CD1-CD2 4.44Å; L227-W237 HydrophobicContact CD1-CZ2 4.45Å; L227-W237 HydrophobicContact CD2-CD2 4.1Å; L227-W237 HydrophobicContact CD2-CG 4.1Å; L227-W237 HydrophobicContact CD2-CZ2 4.3Å; V231-W237 HydrophobicContact CG2-CZ2 3.98Å; V231-W237 PolarHBondContact O-NE1 3.15Å; N233-W237 PolarHBondContact O-N 3.33Å; N234-W237 PolarHBondContact O-N 2.92Å; W237-Q239 VanDerWaalsContact C-N 3.34Å; W237-R240 WeakPolarHBondContact O-CB 3.48Å; W237-R240 PolarHBondContact O-N 2.95Å; W237-Y241 PolarHBondContact O-N 3.1Å; W237-Y241 VanDerWaalsContact O-N 3.11Å; W237-Y262 HydrophobicContact CH2-CD1 4.22Å; W237-Y262 AromaticContact CH2-CE1 3.64Å; W237-Y262 HydrophobicContact CH2-CE1 3.64Å; W237-Y262 HydrophobicContact CZ3-CD1 4.31Å; W237-Y262 AromaticContact CZ3-CE1 3.9Å; W237-Y262 HydrophobicContact CZ3-CE1 3.9Å; W237-T263 HydrophobicContact CH2-CG2 4.25Å; W237-T263 HydrophobicContact CZ3-CG2 4.24Å; W237-M266 HydrophobicContact CH2-CB 4.14Å; W237-M266 HydrophobicContact CH2-CG 3.97Å; W237-M266 HydrophobicContact CZ2-CB 4.16Å; W237-M266 HydrophobicContact CZ2-CG 4.12Å; W237-S275 VanDerWaalsContact CD1-CB 3.48Å; W237-A276 HydrophobicContact CH2-CB 4.18Å; W237-A276 HydrophobicContact CZ2-CB 3.89Å; W237-Y279 HydrophobicContact CD2-CG 4.45Å; W237-Y279 AromaticContact CE3-CD1 3.63Å; W237-Y279 HydrophobicContact CE3-CD1 3.63Å; W237-Y279 AromaticContact CE3-CD2 3.83Å; W237-Y279 HydrophobicContact CE3-CD2 3.83Å; W237-Y279 HydrophobicContact CE3-CE1 4.21Å; W237-Y279 HydrophobicContact CE3-CE2 4.41Å; W237-Y279 AromaticContact CE3-CG 3.4Å; W237-Y279 HydrophobicContact CE3-CG 3.4Å; W237-Y279 AromaticContact CZ3-CD1 3.48Å; W237-Y279 HydrophobicContact CZ3-CD1 3.48Å; W237-Y279 VanDerWaalsContact CZ3-CD1 3.48Å; W237-Y279 AromaticContact CZ3-CE1 3.96Å; W237-Y279 HydrophobicContact CZ3-CE1 3.96Å; W237-Y279 AromaticContact CZ3-CG 3.78Å; W237-Y279 HydrophobicContact CZ3-CG 3.78Å
238	N	98.9	Very high	98.6	Very high	85 Å²	85	53.5 Å²	53.5	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-42.5	171.5	176.1	79.6	0	0	0	111.5	Q207 N234 S235 V236 R240 Y241 F242	Q207-N238 PolarHBondContact NE2-ND2 3.25Å; N234-N238 WeakPolarHBondContact O-CB 3.5Å; N234-N238 PolarHBondContact O-N 3.39Å; S235-N238 WeakPolarHBondContact O-CB 3.45Å; S235-N238 PolarHBondContact O-N 3.4Å; V236-N238 VanDerWaalsContact C-N 3.31Å; V236-N238 PolarHBondContact O-N 2.83Å; N238-R240 VanDerWaalsContact C-N 3.32Å; N238-R240 PolarHBondContact O-N 2.96Å; N238-Y241 PolarHBondContact O-N 3.04Å; N238-F242 WeakPolarHBondContact O-CB 3.31Å; N238-F242 PolarHBondContact O-N 2.89Å
239	Q	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-38.6	175.9	-168.7	70.4	-6.4	0	0	111.9	W203 E219 V223 S235 V236 W237 Y241 F242 V243	W203-Q239 HydrophobicContact CE3-CB 4.21Å; W203-Q239 HydrophobicContact CE3-CG 4.1Å; W203-Q239 HydrophobicContact CH2-CB 4.32Å; W203-Q239 HydrophobicContact CH2-CG 4.3Å; W203-Q239 HydrophobicContact CZ3-CB 3.83Å; W203-Q239 HydrophobicContact CZ3-CG 3.53Å; E219-Q239 HydrophobicContact CG-CG 4.45Å; E219-Q239 PolarHBondContact OE1-NE2 3.43Å; V223-Q239 HydrophobicContact CG2-CB 3.92Å; V223-Q239 HydrophobicContact CG2-CG 3.61Å; S235-Q239 WeakPolarHBondContact O-CB 3.28Å; S235-Q239 PolarHBondContact O-N 2.96Å; V236-Q239 CarbonylContact O-C 3.58Å; V236-Q239 WeakPolarHBondContact O-CB 3.38Å; V236-Q239 PolarHBondContact O-N 3.37Å; V236-Q239 VanDerWaalsContact O-N 3.14Å; W237-Q239 VanDerWaalsContact C-N 3.34Å; Q239-Y241 VanDerWaalsContact C-N 3.33Å; Q239-Y241 PolarHBondContact O-N 2.83Å; Q239-F242 WeakPolarHBondContact O-CB 3.44Å; Q239-F242 PolarHBondContact O-N 3.23Å; Q239-V243 HydrophobicContact CG-CG2 4.37Å; Q239-V243 VanDerWaalsContact O-CG2 3.29Å; Q239-V243 WeakPolarHBondContact O-CG2 3.42Å; Q239-V243 PolarHBondContact O-N 3.05Å
240	R	98.9	Very high	98.6	Very high	8 Å²	8	40.9 Å²	40.9	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-55.9	-49.1	173.2	-165.8	178.3	-172.7	80	8.5	111.2	L220 V223 D224 V236 W237 N238 V243 I244 E259 Y279	L220-R240 HydrophobicContact CD1-CG 4.24Å; V223-R240 HydrophobicContact CG1-CB 3.63Å; V223-R240 HydrophobicContact CG1-CG 3.9Å; D224-R240 IonicContact OD1-CZ 3.77Å; D224-R240 IonicContact OD1-NH1 2.73Å; D224-R240 PolarHBondContact OD1-NH1 2.87Å; D224-R240 IonicContact OD1-NH2 3.79Å; V236-R240 PolarHBondContact O-N 2.91Å; W237-R240 WeakPolarHBondContact O-CB 3.48Å; W237-R240 PolarHBondContact O-N 2.95Å; N238-R240 VanDerWaalsContact C-N 3.32Å; N238-R240 PolarHBondContact O-N 2.96Å; R240-V243 PolarHBondContact O-N 3.03Å; R240-I244 HydrophobicContact CG-CD1 3.98Å; R240-I244 WeakPolarHBondContact O-CG1 3.48Å; R240-I244 PolarHBondContact O-N 3.49Å; R240-I244 VanDerWaalsContact O-N 3.09Å; R240-E259 IonicContact CZ-OE1 3.77Å; R240-E259 IonicContact CZ-OE2 2.94Å; R240-E259 IonicContact NE-OE1 3.48Å; R240-E259 IonicContact NE-OE2 3.89Å; R240-E259 PolarHBondContact NE-OE2 3.07Å; R240-E259 IonicContact NH2-OE1 3.39Å; R240-E259 PolarHBondContact NH2-OE1 2.98Å; R240-E259 IonicContact NH2-OE2 2.73Å; R240-E259 PolarHBondContact NH2-OE2 3.43Å; R240-Y279 HydrophobicContact CB-CE2 4.22Å; R240-Y279 HydrophobicContact CG-CE2 4.27Å
241	Y	98.9	Very high	98.4	Very high	91 Å²	91	44.1 Å²	44.1	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-46.8	175.6	-175	-92.8	0	0	0	112	W237 N238 Q239 V243 I244 S245 Y250 I283	W237-Y241 PolarHBondContact O-N 3.1Å; W237-Y241 VanDerWaalsContact O-N 3.11Å; N238-Y241 PolarHBondContact O-N 3.04Å; Q239-Y241 VanDerWaalsContact C-N 3.33Å; Q239-Y241 PolarHBondContact O-N 2.83Å; Y241-V243 PolarHBondContact O-N 3.46Å; Y241-I244 PolarHBondContact O-N 3.26Å; Y241-S245 WeakPolarHBondContact O-CB 3.41Å; Y241-S245 PolarHBondContact O-N 2.92Å; Y241-S245 PolarHBondContact O-OG 3.43Å; Y241-Y250 WeakPolarHBondContact CA-OH 3.48Å; Y241-Y250 AromaticContact CD2-CE2 3.61Å; Y241-Y250 HydrophobicContact CD2-CE2 3.61Å; Y241-Y250 AromaticContact CD2-CZ 3.91Å; Y241-Y250 HydrophobicContact CE2-CD2 4.16Å; Y241-Y250 AromaticContact CE2-CE2 3.64Å; Y241-Y250 HydrophobicContact CE2-CE2 3.64Å; Y241-Y250 HydrophobicContact CG-CE2 4.41Å; Y241-I283 HydrophobicContact CD2-CG2 4.02Å; Y241-I283 HydrophobicContact CE2-CG2 4.3Å
242	F	98.9	Very high	98.3	Very high	22 Å²	22	47.2 Å²	47.2	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-55.8	-49.2	177.7	169.6	-99.5	0	0	0	112	Q207 I210 Q211 W216 N238 Q239 S245 N246	Q207-F242 HydrophobicContact CB-CE1 4.03Å; Q207-F242 HydrophobicContact CB-CE2 4.02Å; Q207-F242 HydrophobicContact CB-CZ 3.72Å; Q207-F242 HydrophobicContact CG-CD1 3.86Å; Q207-F242 HydrophobicContact CG-CD2 4.16Å; Q207-F242 HydrophobicContact CG-CE1 3.78Å; Q207-F242 HydrophobicContact CG-CE2 4.08Å; Q207-F242 HydrophobicContact CG-CG 4.05Å; Q207-F242 HydrophobicContact CG-CZ 3.89Å; I210-F242 HydrophobicContact CB-CE1 4.49Å; I210-F242 HydrophobicContact CG2-CE1 4.24Å; Q211-F242 HydrophobicContact CB-CZ 4.44Å; W216-F242 HydrophobicContact CE3-CE1 4.48Å; W216-F242 AromaticContact CH2-CE1 3.74Å; W216-F242 HydrophobicContact CH2-CE1 3.74Å; W216-F242 HydrophobicContact CH2-CE2 4.22Å; W216-F242 AromaticContact CH2-CZ 3.5Å; W216-F242 HydrophobicContact CH2-CZ 3.5Å; W216-F242 VanDerWaalsContact CH2-CZ 3.5Å; W216-F242 HydrophobicContact CZ3-CD1 4.03Å; W216-F242 AromaticContact CZ3-CE1 3.39Å; W216-F242 HydrophobicContact CZ3-CE1 3.39Å; W216-F242 AromaticContact CZ3-CZ 3.7Å; W216-F242 HydrophobicContact CZ3-CZ 3.7Å; N238-F242 WeakPolarHBondContact O-CB 3.31Å; N238-F242 PolarHBondContact O-N 2.89Å; Q239-F242 WeakPolarHBondContact O-CB 3.44Å; Q239-F242 PolarHBondContact O-N 3.23Å; F242-S245 PolarHBondContact O-OG 2.7Å; F242-S245 VanDerWaalsContact O-OG 3.1Å; F242-N246 WeakPolarHBondContact O-CB 3.4Å; F242-N246 PolarHBondContact O-N 3.23Å; F242-N246 PolarHBondContact O-ND2 3.33Å
243	V	98.9	Very high	98.1	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-51	-179.1	174.7	0	0	0	0	111.2	E219 L220 Q239 R240 Y241 N246 T247	E219-V243 HydrophobicContact CB-CG2 3.85Å; E219-V243 HydrophobicContact CG-CG2 3.31Å; L220-V243 HydrophobicContact CB-CG1 4.14Å; Q239-V243 HydrophobicContact CG-CG2 4.37Å; Q239-V243 VanDerWaalsContact O-CG2 3.29Å; Q239-V243 WeakPolarHBondContact O-CG2 3.42Å; Q239-V243 PolarHBondContact O-N 3.05Å; R240-V243 PolarHBondContact O-N 3.03Å; Y241-V243 PolarHBondContact O-N 3.46Å; V243-N246 PolarHBondContact O-N 3.02Å; V243-T247 WeakPolarHBondContact O-CB 3.28Å; V243-T247 WeakPolarHBondContact O-CG2 3.33Å; V243-T247 PolarHBondContact O-N 3.15Å; V243-T247 VanDerWaalsContact O-N 3.09Å; V243-T247 PolarHBondContact O-OG1 3.06Å
244	I	98.8	Very high	98	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-68.1	-43.6	-174.6	-63.9	172.5	0	0	0	110.4	L220 R240 Y241 N246 T247 T248 G249 Y250 V255 E259	L220-I244 HydrophobicContact CD1-CD1 4.28Å; L220-I244 HydrophobicContact CD1-CG1 4.23Å; R240-I244 HydrophobicContact CG-CD1 3.98Å; R240-I244 WeakPolarHBondContact O-CG1 3.48Å; R240-I244 PolarHBondContact O-N 3.49Å; R240-I244 VanDerWaalsContact O-N 3.09Å; Y241-I244 PolarHBondContact O-N 3.26Å; I244-N246 VanDerWaalsContact C-N 3.26Å; I244-N246 PolarHBondContact O-N 2.96Å; I244-T247 PolarHBondContact O-N 3.49Å; I244-T247 PolarHBondContact O-OG1 2.82Å; I244-T248 PolarHBondContact O-N 3.15Å; I244-G249 VanDerWaalsContact O-CA 3.29Å; I244-G249 WeakPolarHBondContact O-CA 3.41Å; I244-G249 PolarHBondContact O-N 3.28Å; I244-Y250 HydrophobicContact CB-CE1 4.37Å; I244-Y250 HydrophobicContact CB-CE2 3.99Å; I244-Y250 HydrophobicContact CD1-CE1 4.45Å; I244-Y250 HydrophobicContact CG2-CD1 4.12Å; I244-Y250 HydrophobicContact CG2-CD2 4.13Å; I244-Y250 HydrophobicContact CG2-CE1 3.72Å; I244-Y250 HydrophobicContact CG2-CE2 3.71Å; I244-Y250 HydrophobicContact CG2-CG 4.32Å; I244-Y250 VanDerWaalsContact CG2-CZ 3.5Å; I244-V255 HydrophobicContact CG2-CG1 3.92Å; I244-E259 HydrophobicContact CD1-CG 3.85Å; I244-E259 VanDerWaalsContact CD1-OE2 3.25Å; I244-E259 WeakPolarHBondContact CD1-OE2 3.3Å
245	S	98.4	Very high	98	Very high	46 Å²	46	51 Å²	51	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-30.5	178.9	60	0	0	0	0	113.7	Y241 F242	Y241-S245 WeakPolarHBondContact O-CB 3.41Å; Y241-S245 PolarHBondContact O-N 2.92Å; Y241-S245 PolarHBondContact O-OG 3.43Å; F242-S245 PolarHBondContact O-OG 2.7Å; F242-S245 VanDerWaalsContact O-OG 3.1Å
246	N	98.6	Very high	98	Very high	72 Å²	72	50.6 Å²	50.6	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-93.7	-5	178.9	-73.8	-86.2	0	0	0	114.3	W216 F242 V243 I244	W216-N246 HydrophobicContact CE3-CB 4.36Å; W216-N246 HydrophobicContact CH2-CB 3.35Å; W216-N246 HydrophobicContact CZ2-CB 3.93Å; W216-N246 HydrophobicContact CZ3-CB 3.59Å; F242-N246 WeakPolarHBondContact O-CB 3.4Å; F242-N246 PolarHBondContact O-N 3.23Å; F242-N246 PolarHBondContact O-ND2 3.33Å; V243-N246 PolarHBondContact O-N 3.02Å; I244-N246 VanDerWaalsContact C-N 3.26Å; I244-N246 PolarHBondContact O-N 2.96Å
247	T	98.4	Very high	97.9	Very high	70 Å²	70	56.3 Å²	56.3	43%	0.429	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-89.8	178.3	54.2	0	0	0	0	111.1	W216 V243 I244	W216-T247 HydrophobicContact CB-CG2 3.84Å; W216-T247 HydrophobicContact CD2-CG2 4.04Å; W216-T247 HydrophobicContact CE3-CG2 4.02Å; W216-T247 HydrophobicContact CG-CG2 3.98Å; V243-T247 WeakPolarHBondContact O-CB 3.28Å; V243-T247 WeakPolarHBondContact O-CG2 3.33Å; V243-T247 PolarHBondContact O-N 3.15Å; V243-T247 VanDerWaalsContact O-N 3.09Å; V243-T247 PolarHBondContact O-OG1 3.06Å; I244-T247 PolarHBondContact O-N 3.49Å; I244-T247 PolarHBondContact O-OG1 2.82Å
248	T	97.8	Very high	97.8	Very high	83 Å²	83	61.2 Å²	61.2	51%	0.509	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.3	-177.8	59.1	0	0	0	0	112.9	I244	I244-T248 PolarHBondContact O-N 3.15Å
249	G	97.5	Very high	97.8	Very high	13 Å²	13	57.2 Å²	57.2	13%	0.134	29%	0.29	C	S	.	.			trans	67.3	177.9	-165.3	0	0	0	0	0	112.8	I244	I244-G249 VanDerWaalsContact O-CA 3.29Å; I244-G249 WeakPolarHBondContact O-CA 3.41Å; I244-G249 PolarHBondContact O-N 3.28Å
250	Y	98	Very high	97.8	Very high	29 Å²	29	58 Å²	58	11%	0.114	30%	0.295	C	S	.	.	S	Bend	trans	-101.4	8	176.6	-67.5	-84.9	0	0	0	113.2	Y241 I244 L256 E259 Y279 I283	Y241-Y250 WeakPolarHBondContact CA-OH 3.48Å; Y241-Y250 AromaticContact CD2-CE2 3.61Å; Y241-Y250 HydrophobicContact CD2-CE2 3.61Å; Y241-Y250 AromaticContact CD2-CZ 3.91Å; Y241-Y250 HydrophobicContact CE2-CD2 4.16Å; Y241-Y250 AromaticContact CE2-CE2 3.64Å; Y241-Y250 HydrophobicContact CE2-CE2 3.64Å; Y241-Y250 HydrophobicContact CG-CE2 4.41Å; I244-Y250 HydrophobicContact CB-CE1 4.37Å; I244-Y250 HydrophobicContact CB-CE2 3.99Å; I244-Y250 HydrophobicContact CD1-CE1 4.45Å; I244-Y250 HydrophobicContact CG2-CD1 4.12Å; I244-Y250 HydrophobicContact CG2-CD2 4.13Å; I244-Y250 HydrophobicContact CG2-CE1 3.72Å; I244-Y250 HydrophobicContact CG2-CE2 3.71Å; I244-Y250 HydrophobicContact CG2-CG 4.32Å; I244-Y250 VanDerWaalsContact CG2-CZ 3.5Å; Y250-L256 HydrophobicContact CD1-CD1 4.16Å; Y250-E259 HydrophobicContact CE1-CB 4.28Å; Y250-E259 HydrophobicContact CE1-CG 3.98Å; Y250-Y279 PolarHBondContact OH-OH 2.91Å; Y250-I283 HydrophobicContact CD1-CB 4.08Å; Y250-I283 HydrophobicContact CD1-CG2 4.08Å; Y250-I283 HydrophobicContact CE1-CB 3.97Å; Y250-I283 HydrophobicContact CE1-CG2 3.49Å; Y250-I283 VanDerWaalsContact CE1-CG2 3.49Å; Y250-I283 HydrophobicContact CE2-CG2 4.28Å
251	N	95.1	Very high	97.7	Very high	124 Å²	124	60.9 Å²	60.9	66%	0.663	31%	0.309	S	S	*	.			trans	-77.5	-24.7	177.1	-71.4	-30.9	0	0	0	112.9	R253 R287	N251-R253 PolarHBondContact O-N 3.49Å; N251-R287 PolarHBondContact OD1-NH2 2.91Å
252	D	95.6	Very high	97.7	Very high	86 Å²	86	58.7 Å²	58.7	46%	0.46	30%	0.3	S	S	.	.	S	Bend	trans	-72.4	120	171.9	-171.7	-32.5	0	0	0	109.3	A254 V255 L256	D252-A254 VanDerWaalsContact C-N 3.27Å; D252-A254 PolarHBondContact O-N 2.83Å; D252-A254 WeakPolarHBondContact OD1-CB 3.42Å; D252-A254 PolarHBondContact OD1-N 3.3Å; D252-V255 HydrophobicContact CB-CB 4.1Å; D252-V255 HydrophobicContact CB-CG2 3.85Å; D252-V255 PolarHBondContact O-N 3.35Å; D252-L256 PolarHBondContact O-N 3.49Å
253	R	95.1	Very high	97.7	Very high	221 Å²	221	57.7 Å²	57.7	83%	0.834	30%	0.296	S	S	*	.	H	α-helix	trans	-61.7	-35.3	-179.3	-66.8	-175.6	-178.6	-179.5	-0.4	112.5	N251 V255 L256 E257	N251-R253 PolarHBondContact O-N 3.49Å; R253-V255 VanDerWaalsContact C-N 3.33Å; R253-L256 PolarHBondContact O-N 2.92Å; R253-E257 VanDerWaalsContact O-CB 3.28Å; R253-E257 WeakPolarHBondContact O-CB 3.49Å; R253-E257 PolarHBondContact O-N 3.14Å
254	A	97.1	Very high	97.7	Very high	70 Å²	70	57.5 Å²	57.5	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-68.6	-37.1	179.4	0	0	0	0	0	111	D252 R258	D252-A254 VanDerWaalsContact C-N 3.27Å; D252-A254 PolarHBondContact O-N 2.83Å; D252-A254 WeakPolarHBondContact OD1-CB 3.42Å; D252-A254 PolarHBondContact OD1-N 3.3Å; A254-R258 WeakPolarHBondContact O-CB 3.29Å; A254-R258 PolarHBondContact O-N 2.72Å; A254-R258 VanDerWaalsContact O-N 3.09Å
255	V	98.1	Very high	97.6	Very high	12 Å²	12	61.6 Å²	61.6	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-49	174	176.7	0	0	0	0	110.3	I244 D252 R253 E257 R258 E259	I244-V255 HydrophobicContact CG2-CG1 3.92Å; D252-V255 HydrophobicContact CB-CB 4.1Å; D252-V255 HydrophobicContact CB-CG2 3.85Å; D252-V255 PolarHBondContact O-N 3.35Å; R253-V255 VanDerWaalsContact C-N 3.33Å; V255-E257 VanDerWaalsContact C-N 3.34Å; V255-E257 PolarHBondContact O-N 2.94Å; V255-R258 WeakPolarHBondContact O-CB 3.44Å; V255-R258 PolarHBondContact O-N 3.26Å; V255-E259 HydrophobicContact CG1-CG 4.31Å; V255-E259 VanDerWaalsContact O-CG 3.29Å; V255-E259 WeakPolarHBondContact O-CG 3.4Å; V255-E259 PolarHBondContact O-N 2.77Å
256	L	98	Very high	97.6	Very high	20 Å²	20	60.8 Å²	60.8	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-45	180	-175.6	62.4	0	0	0	111.8	Y250 D252 R253 R258 E259 V260 I283 L284 Y292	Y250-L256 HydrophobicContact CD1-CD1 4.16Å; D252-L256 PolarHBondContact O-N 3.49Å; R253-L256 PolarHBondContact O-N 2.92Å; L256-R258 PolarHBondContact O-N 2.82Å; L256-E259 PolarHBondContact O-N 2.95Å; L256-V260 HydrophobicContact CD1-CG2 4.33Å; L256-V260 HydrophobicContact CG-CG2 4.43Å; L256-V260 WeakPolarHBondContact O-CG2 3.01Å; L256-V260 PolarHBondContact O-N 3.15Å; L256-I283 HydrophobicContact CD1-CB 4.36Å; L256-I283 HydrophobicContact CD1-CD1 4.2Å; L256-I283 HydrophobicContact CD1-CG1 4.21Å; L256-L284 HydrophobicContact CD1-CD2 3.94Å; L256-L284 HydrophobicContact CD2-CD2 4.23Å; L256-L284 HydrophobicContact CG-CD2 4.32Å; L256-Y292 HydrophobicContact CD2-CE1 3.94Å; L256-Y292 WeakPolarHBondContact CD2-OH 3.38Å
257	E	96.7	Very high	97.6	Very high	121 Å²	121	57.4 Å²	57.4	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-60	-46.2	176.9	-175.9	63.3	-155.4	0	0	111.6	R253 V255 E259 V260 Q261	R253-E257 VanDerWaalsContact O-CB 3.28Å; R253-E257 WeakPolarHBondContact O-CB 3.49Å; R253-E257 PolarHBondContact O-N 3.14Å; V255-E257 VanDerWaalsContact C-N 3.34Å; V255-E257 PolarHBondContact O-N 2.94Å; E257-E259 VanDerWaalsContact C-N 3.3Å; E257-E259 PolarHBondContact O-N 3.34Å; E257-V260 PolarHBondContact O-N 3.25Å; E257-Q261 VanDerWaalsContact O-CB 3.31Å; E257-Q261 WeakPolarHBondContact O-CB 3.25Å; E257-Q261 PolarHBondContact O-N 2.95Å
258	R	98.2	Very high	97.5	Very high	108 Å²	108	58.1 Å²	58.1	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-56.1	-46.1	175.1	-178.3	-163.6	72.7	-157.9	1.4	111.4	A254 V255 L256 Q261 Y262	A254-R258 WeakPolarHBondContact O-CB 3.29Å; A254-R258 PolarHBondContact O-N 2.72Å; A254-R258 VanDerWaalsContact O-N 3.09Å; V255-R258 WeakPolarHBondContact O-CB 3.44Å; V255-R258 PolarHBondContact O-N 3.26Å; L256-R258 PolarHBondContact O-N 2.82Å; R258-Q261 PolarHBondContact O-N 3.29Å; R258-Y262 VanDerWaalsContact O-CB 3.31Å; R258-Y262 WeakPolarHBondContact O-CB 3.31Å; R258-Y262 PolarHBondContact O-N 2.85Å
259	E	98.7	Very high	97.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70.2	-39	-177.3	-68	-58.9	123.9	0	0	112.7	R240 I244 Y250 V255 L256 E257 T263 Y279 I283	R240-E259 IonicContact CZ-OE1 3.77Å; R240-E259 IonicContact CZ-OE2 2.94Å; R240-E259 IonicContact NE-OE1 3.48Å; R240-E259 IonicContact NE-OE2 3.89Å; R240-E259 PolarHBondContact NE-OE2 3.07Å; R240-E259 IonicContact NH2-OE1 3.39Å; R240-E259 PolarHBondContact NH2-OE1 2.98Å; R240-E259 IonicContact NH2-OE2 2.73Å; R240-E259 PolarHBondContact NH2-OE2 3.43Å; I244-E259 HydrophobicContact CD1-CG 3.85Å; I244-E259 VanDerWaalsContact CD1-OE2 3.25Å; I244-E259 WeakPolarHBondContact CD1-OE2 3.3Å; Y250-E259 HydrophobicContact CE1-CB 4.28Å; Y250-E259 HydrophobicContact CE1-CG 3.98Å; V255-E259 HydrophobicContact CG1-CG 4.31Å; V255-E259 VanDerWaalsContact O-CG 3.29Å; V255-E259 WeakPolarHBondContact O-CG 3.4Å; V255-E259 PolarHBondContact O-N 2.77Å; L256-E259 PolarHBondContact O-N 2.95Å; E257-E259 VanDerWaalsContact C-N 3.3Å; E257-E259 PolarHBondContact O-N 3.34Å; E259-T263 WeakPolarHBondContact O-CB 3.37Å; E259-T263 PolarHBondContact O-N 2.91Å; E259-T263 PolarHBondContact O-OG1 3.29Å; E259-Y279 PolarHBondContact OE2-OH 3.33Å; E259-I283 HydrophobicContact CB-CD1 3.9Å
260	V	98.3	Very high	97.4	Very high	17 Å²	17	61 Å²	61	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-49.2	172.8	169.5	0	0	0	0	110.2	L256 E257 T263 L264 L280 I283 L284	L256-V260 HydrophobicContact CD1-CG2 4.33Å; L256-V260 HydrophobicContact CG-CG2 4.43Å; L256-V260 WeakPolarHBondContact O-CG2 3.01Å; L256-V260 PolarHBondContact O-N 3.15Å; E257-V260 PolarHBondContact O-N 3.25Å; V260-T263 PolarHBondContact O-N 2.88Å; V260-L264 HydrophobicContact CG1-CD1 3.87Å; V260-L264 HydrophobicContact CG1-CG 4.31Å; V260-L264 WeakPolarHBondContact O-CB 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.46Å; V260-L264 PolarHBondContact O-N 3.39Å; V260-L280 HydrophobicContact CB-CD1 4.43Å; V260-L280 HydrophobicContact CG1-CD1 4.14Å; V260-L280 HydrophobicContact CG2-CD1 4.16Å; V260-I283 HydrophobicContact CG2-CD1 4.13Å; V260-L284 HydrophobicContact CG2-CD1 4.36Å; V260-L284 HydrophobicContact CG2-CD2 3.86Å; V260-L284 HydrophobicContact CG2-CG 4.42Å
261	Q	97.8	Very high	97.4	Very high	69 Å²	69	60.9 Å²	60.9	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-47.5	-179.1	-178.2	58	36	0	0	111.8	E257 R258 T263 L264 E265	E257-Q261 VanDerWaalsContact O-CB 3.31Å; E257-Q261 WeakPolarHBondContact O-CB 3.25Å; E257-Q261 PolarHBondContact O-N 2.95Å; R258-Q261 PolarHBondContact O-N 3.29Å; Q261-T263 VanDerWaalsContact C-N 3.31Å; Q261-T263 PolarHBondContact O-N 2.8Å; Q261-L264 PolarHBondContact O-N 3.3Å; Q261-E265 PolarHBondContact NE2-OE1 2.89Å; Q261-E265 WeakPolarHBondContact O-CG 3.39Å; Q261-E265 PolarHBondContact O-N 3.14Å
262	Y	98.6	Very high	97.5	Very high	45 Å²	45	60.3 Å²	60.3	18%	0.176	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-46.3	174.2	172.3	-101.1	0	0	0	111.7	L227 W237 R258 E265 M266	L227-Y262 HydrophobicContact CD1-CE1 4.09Å; L227-Y262 WeakPolarHBondContact CD1-OH 3.46Å; W237-Y262 HydrophobicContact CH2-CD1 4.22Å; W237-Y262 AromaticContact CH2-CE1 3.64Å; W237-Y262 HydrophobicContact CH2-CE1 3.64Å; W237-Y262 HydrophobicContact CZ3-CD1 4.31Å; W237-Y262 AromaticContact CZ3-CE1 3.9Å; W237-Y262 HydrophobicContact CZ3-CE1 3.9Å; R258-Y262 VanDerWaalsContact O-CB 3.31Å; R258-Y262 WeakPolarHBondContact O-CB 3.31Å; R258-Y262 PolarHBondContact O-N 2.85Å; Y262-E265 WeakPolarHBondContact O-CB 3.37Å; Y262-E265 PolarHBondContact O-N 3.05Å; Y262-M266 HydrophobicContact CD1-CG 4.49Å; Y262-M266 HydrophobicContact CE1-CG 4.02Å; Y262-M266 HydrophobicContact CE2-CE 4.16Å; Y262-M266 HydrophobicContact CE2-CG 4.22Å; Y262-M266 HydrophobicContact CE2-SD 4.31Å; Y262-M266 WeakPolarHBondContact O-CG 3.35Å; Y262-M266 PolarHBondContact O-N 3.17Å
263	T	98.7	Very high	97.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-39.4	-177.8	-52	0	0	0	0	111.8	W237 E259 V260 Q261 E265 M266 I267 A276 Y279 L280	W237-T263 HydrophobicContact CH2-CG2 4.25Å; W237-T263 HydrophobicContact CZ3-CG2 4.24Å; E259-T263 WeakPolarHBondContact O-CB 3.37Å; E259-T263 PolarHBondContact O-N 2.91Å; E259-T263 PolarHBondContact O-OG1 3.29Å; V260-T263 PolarHBondContact O-N 2.88Å; Q261-T263 VanDerWaalsContact C-N 3.31Å; Q261-T263 PolarHBondContact O-N 2.8Å; T263-E265 VanDerWaalsContact C-N 3.31Å; T263-E265 PolarHBondContact O-N 3.01Å; T263-M266 PolarHBondContact O-N 3.06Å; T263-I267 HydrophobicContact CG2-CD1 4.2Å; T263-I267 WeakPolarHBondContact O-CG1 3.49Å; T263-I267 PolarHBondContact O-N 3.4Å; T263-A276 HydrophobicContact CG2-CB 4.21Å; T263-A276 WeakPolarHBondContact CG2-O 3.5Å; T263-Y279 HydrophobicContact CG2-CD1 4.05Å; T263-Y279 VanDerWaalsContact OG1-CD1 3.27Å; T263-Y279 WeakPolarHBondContact OG1-CD1 3.49Å; T263-Y279 WeakPolarHBondContact OG1-CE1 3.32Å; T263-L280 HydrophobicContact CG2-CB 3.8Å
264	L	97.8	Very high	97.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-36.3	174	-72.2	175.5	0	0	0	112.1	V260 Q261 I267 K268 L280 L295 L299	V260-L264 HydrophobicContact CG1-CD1 3.87Å; V260-L264 HydrophobicContact CG1-CG 4.31Å; V260-L264 WeakPolarHBondContact O-CB 3.27Å; V260-L264 WeakPolarHBondContact O-CG 3.46Å; V260-L264 PolarHBondContact O-N 3.39Å; Q261-L264 PolarHBondContact O-N 3.3Å; L264-I267 PolarHBondContact O-N 2.92Å; L264-K268 VanDerWaalsContact O-CG 3.27Å; L264-K268 WeakPolarHBondContact O-CG 3.2Å; L264-K268 PolarHBondContact O-N 3.03Å; L264-L280 HydrophobicContact CD2-CD2 3.97Å; L264-L295 HydrophobicContact CD1-CD1 4.35Å; L264-L295 HydrophobicContact CD2-CD1 4.2Å; L264-L299 HydrophobicContact CD2-CD2 4.28Å
265	E	97.6	Very high	97.9	Very high	86 Å²	86	46.4 Å²	46.4	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-44.9	172.2	-73.4	169	-164	0	0	111.4	Q261 Y262 T263 I267 K268 L269	Q261-E265 PolarHBondContact NE2-OE1 2.89Å; Q261-E265 WeakPolarHBondContact O-CG 3.39Å; Q261-E265 PolarHBondContact O-N 3.14Å; Y262-E265 WeakPolarHBondContact O-CB 3.37Å; Y262-E265 PolarHBondContact O-N 3.05Å; T263-E265 VanDerWaalsContact C-N 3.31Å; T263-E265 PolarHBondContact O-N 3.01Å; E265-I267 VanDerWaalsContact C-N 3.33Å; E265-I267 PolarHBondContact O-N 3.46Å; E265-K268 PolarHBondContact O-N 2.8Å; E265-L269 WeakPolarHBondContact O-CG 3.06Å; E265-L269 PolarHBondContact O-N 3.46Å
266	M	98.3	Very high	97.9	Very high	30 Å²	30	45.8 Å²	45.8	15%	0.148	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-37.3	176.7	-64.1	-53.3	100.6	0	0	112.3	V231 W237 Y262 T263 L269 V270 A276	V231-M266 HydrophobicContact CG2-CB 4.13Å; V231-M266 HydrophobicContact CG2-CG 4.08Å; V231-M266 HydrophobicContact CG2-SD 3.86Å; W237-M266 HydrophobicContact CH2-CB 4.14Å; W237-M266 HydrophobicContact CH2-CG 3.97Å; W237-M266 HydrophobicContact CZ2-CB 4.16Å; W237-M266 HydrophobicContact CZ2-CG 4.12Å; Y262-M266 HydrophobicContact CD1-CG 4.49Å; Y262-M266 HydrophobicContact CE1-CG 4.02Å; Y262-M266 HydrophobicContact CE2-CE 4.16Å; Y262-M266 HydrophobicContact CE2-CG 4.22Å; Y262-M266 HydrophobicContact CE2-SD 4.31Å; Y262-M266 WeakPolarHBondContact O-CG 3.35Å; Y262-M266 PolarHBondContact O-N 3.17Å; T263-M266 PolarHBondContact O-N 3.06Å; M266-L269 HydrophobicContact CE-CD1 3.84Å; M266-L269 PolarHBondContact O-N 3.31Å; M266-L269 HydrophobicContact SD-CD1 4.47Å; M266-V270 PolarHBondContact O-N 3.38Å; M266-A276 HydrophobicContact CB-CB 4.49Å
267	I	98.2	Very high	97.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-44.6	173.7	-73.2	167	0	0	0	110.8	T263 L264 E265 L269 V270 P271 A276 W277 L280	T263-I267 HydrophobicContact CG2-CD1 4.2Å; T263-I267 WeakPolarHBondContact O-CG1 3.49Å; T263-I267 PolarHBondContact O-N 3.4Å; L264-I267 PolarHBondContact O-N 2.92Å; E265-I267 VanDerWaalsContact C-N 3.33Å; E265-I267 PolarHBondContact O-N 3.46Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.31Å; I267-V270 CarbonylContact O-C 3.3Å; I267-V270 PolarHBondContact O-N 2.82Å; I267-P271 WeakPolarHBondContact O-CA 3.41Å; I267-P271 WeakPolarHBondContact O-CG 3.4Å; I267-A276 HydrophobicContact CG1-CB 3.78Å; I267-W277 HydrophobicContact CD1-CD2 3.79Å; I267-W277 HydrophobicContact CD1-CE3 3.86Å; I267-W277 HydrophobicContact CD1-CG 4.28Å; I267-W277 HydrophobicContact CD1-CH2 4.4Å; I267-W277 HydrophobicContact CD1-CZ2 4.36Å; I267-W277 HydrophobicContact CD1-CZ3 4.17Å; I267-W277 HydrophobicContact CG1-CD2 4.23Å; I267-W277 HydrophobicContact CG1-CG 4.47Å; I267-W277 HydrophobicContact CG2-CD2 4.49Å; I267-W277 HydrophobicContact CG2-CH2 3.87Å; I267-W277 HydrophobicContact CG2-CZ2 3.3Å; I267-L280 HydrophobicContact CD1-CD2 3.85Å
268	K	96.9	Very high	98	Very high	85 Å²	85	43.3 Å²	43.3	37%	0.37	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-38.2	177.3	-73.2	167.6	-174.1	173.2	0	111.8	L264 E265 L302	L264-K268 VanDerWaalsContact O-CG 3.27Å; L264-K268 WeakPolarHBondContact O-CG 3.2Å; L264-K268 PolarHBondContact O-N 3.03Å; E265-K268 PolarHBondContact O-N 2.8Å; K268-L302 HydrophobicContact CG-CD1 4.31Å; K268-L302 HydrophobicContact CG-CD2 4.08Å
269	L	96.3	Very high	98.1	Very high	130 Å²	130	38.8 Å²	38.8	68%	0.681	19%	0.191	S	C	*	.	H	α-helix	trans	-72	-40.9	176.8	-67.9	174.7	0	0	0	112.7	E265 M266 I267	E265-L269 WeakPolarHBondContact O-CG 3.06Å; E265-L269 PolarHBondContact O-N 3.46Å; M266-L269 HydrophobicContact CE-CD1 3.84Å; M266-L269 PolarHBondContact O-N 3.31Å; M266-L269 HydrophobicContact SD-CD1 4.47Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.31Å
270	V	97.4	Very high	98.1	Very high	26 Å²	26	38.8 Å²	38.8	16%	0.158	19%	0.191	C	C	.	.	S	Bend	trans	-133.6	80.5	-177.2	-166.6	0	0	0	0	110.6	V231 M266 I267 H272 N273	V231-V270 HydrophobicContact CG1-CB 4.43Å; V231-V270 HydrophobicContact CG1-CG2 3.85Å; M266-V270 PolarHBondContact O-N 3.38Å; I267-V270 CarbonylContact O-C 3.3Å; I267-V270 PolarHBondContact O-N 2.82Å; V270-H272 PolarHBondContact O-N 2.96Å; V270-H272 VanDerWaalsContact O-N 3.09Å; V270-N273 HydrophobicContact CB-CB 4.07Å; V270-N273 HydrophobicContact CG1-CB 3.74Å; V270-N273 VanDerWaalsContact O-CB 3.32Å; V270-N273 WeakPolarHBondContact O-CB 3.41Å; V270-N273 PolarHBondContact O-N 3.22Å
271	P	96.8	Very high	98.1	Very high	26 Å²	26	40.7 Å²	40.7	17%	0.169	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.4	-165.3	-21.5	36.4	0	0	0	114.7	I267 W277 H306 S308	I267-P271 WeakPolarHBondContact O-CA 3.41Å; I267-P271 WeakPolarHBondContact O-CG 3.4Å; P271-W277 PolarHBondContact O-NE1 3.24Å; P271-H306 HydrophobicContact CB-CB 4.18Å; P271-H306 HydrophobicContact CG-CB 4.46Å; P271-H306 VanDerWaalsContact CG-CD2 3.45Å; P271-H306 WeakPolarHBondContact CG-CD2 3.37Å; P271-S308 PolarHBondContact O-OG 2.82Å
272	H	97.3	Very high	98.1	Very high	112 Å²	112	38.4 Å²	38.4	52%	0.519	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.4	179.4	-62.2	82.9	0	0	0	112.5	V270 E274 Y310	V270-H272 PolarHBondContact O-N 2.96Å; V270-H272 VanDerWaalsContact O-N 3.09Å; H272-E274 PolarHBondContact O-N 2.95Å; H272-Y310 HydrophobicContact CB-CE2 4.26Å; H272-Y310 WeakPolarHBondContact O-CE2 3.39Å
273	N	98.1	Very high	98.1	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.032	19%	0.187	C	C	.	.			trans	-86.7	101.6	173.2	178.4	18.1	0	0	0	110.9	V231 R232 V270 S275 A276 W277	V231-N273 PolarHBondContact O-ND2 2.98Å; R232-N273 HydrophobicContact CG-CB 4.33Å; V270-N273 HydrophobicContact CB-CB 4.07Å; V270-N273 HydrophobicContact CG1-CB 3.74Å; V270-N273 VanDerWaalsContact O-CB 3.32Å; V270-N273 WeakPolarHBondContact O-CB 3.41Å; V270-N273 PolarHBondContact O-N 3.22Å; N273-S275 VanDerWaalsContact C-N 3.25Å; N273-S275 PolarHBondContact O-N 3.14Å; N273-S275 PolarHBondContact OD1-N 3.49Å; N273-A276 PolarHBondContact O-N 3.43Å; N273-W277 VanDerWaalsContact O-CD1 3.28Å
274	E	98.6	Very high	98.1	Very high	67 Å²	67	36.9 Å²	36.9	31%	0.313	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-30.9	-179	-168.6	167.3	-154	0	0	113.2	H272 A276 W277 N278 Y310 R352	H272-E274 PolarHBondContact O-N 2.95Å; E274-A276 PolarHBondContact O-N 3.09Å; E274-W277 PolarHBondContact O-N 3.15Å; E274-N278 WeakPolarHBondContact O-CB 3.39Å; E274-N278 PolarHBondContact O-N 3.34Å; E274-Y310 HydrophobicContact CB-CD1 4.2Å; E274-Y310 HydrophobicContact CB-CE1 3.65Å; E274-Y310 HydrophobicContact CG-CD1 3.94Å; E274-Y310 HydrophobicContact CG-CE1 3.57Å; E274-R352 IonicContact OE1-CZ 3.54Å; E274-R352 IonicContact OE1-NH1 2.75Å; E274-R352 IonicContact OE1-NH2 3.8Å; E274-R352 PolarHBondContact OE1-NH2 2.92Å
275	S	98.7	Very high	98	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40.2	-179.4	-67.7	0	0	0	0	113.2	N234 W237 N273 N278 Y279	N234-S275 WeakPolarHBondContact CB-OG 3.44Å; N234-S275 PolarHBondContact OD1-OG 3.1Å; W237-S275 VanDerWaalsContact CD1-CB 3.48Å; N273-S275 VanDerWaalsContact C-N 3.25Å; N273-S275 PolarHBondContact O-N 3.14Å; N273-S275 PolarHBondContact OD1-N 3.49Å; S275-N278 PolarHBondContact O-N 3.41Å; S275-Y279 WeakPolarHBondContact O-CB 3.37Å; S275-Y279 PolarHBondContact O-N 2.66Å
276	A	98.8	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-41	177.4	0	0	0	0	0	111.5	W237 T263 M266 I267 N273 E274 Y279 L280	W237-A276 HydrophobicContact CH2-CB 4.18Å; W237-A276 HydrophobicContact CZ2-CB 3.89Å; T263-A276 HydrophobicContact CG2-CB 4.21Å; T263-A276 WeakPolarHBondContact CG2-O 3.5Å; M266-A276 HydrophobicContact CB-CB 4.49Å; I267-A276 HydrophobicContact CG1-CB 3.78Å; N273-A276 PolarHBondContact O-N 3.43Å; E274-A276 PolarHBondContact O-N 3.09Å; A276-Y279 PolarHBondContact O-N 3.45Å; A276-L280 WeakPolarHBondContact O-CB 3.48Å; A276-L280 PolarHBondContact O-N 3.03Å
277	W	98.8	Very high	97.6	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-43.9	174.8	-73	106.6	0	0	0	112.3	I267 P271 N273 E274 L280 K281 L299 Y310 L311 F314	I267-W277 HydrophobicContact CD1-CD2 3.79Å; I267-W277 HydrophobicContact CD1-CE3 3.86Å; I267-W277 HydrophobicContact CD1-CG 4.28Å; I267-W277 HydrophobicContact CD1-CH2 4.4Å; I267-W277 HydrophobicContact CD1-CZ2 4.36Å; I267-W277 HydrophobicContact CD1-CZ3 4.17Å; I267-W277 HydrophobicContact CG1-CD2 4.23Å; I267-W277 HydrophobicContact CG1-CG 4.47Å; I267-W277 HydrophobicContact CG2-CD2 4.49Å; I267-W277 HydrophobicContact CG2-CH2 3.87Å; I267-W277 HydrophobicContact CG2-CZ2 3.3Å; P271-W277 PolarHBondContact O-NE1 3.24Å; N273-W277 VanDerWaalsContact O-CD1 3.28Å; E274-W277 PolarHBondContact O-N 3.15Å; W277-L280 PolarHBondContact O-N 2.69Å; W277-K281 PolarHBondContact O-N 3.04Å; W277-L299 HydrophobicContact CH2-CD2 3.82Å; W277-L299 HydrophobicContact CZ3-CD2 3.77Å; W277-Y310 VanDerWaalsContact CD1-CB 3.41Å; W277-Y310 AromaticContact CD1-CD2 3.92Å; W277-Y310 AromaticContact CD1-CG 3.8Å; W277-Y310 HydrophobicContact CG-CG 4.28Å; W277-L311 HydrophobicContact CH2-CB 3.6Å; W277-L311 HydrophobicContact CH2-CD1 4.06Å; W277-L311 HydrophobicContact CH2-CG 3.84Å; W277-L311 HydrophobicContact CZ2-CB 3.78Å; W277-L311 HydrophobicContact CZ2-CD1 4.44Å; W277-L311 HydrophobicContact CZ2-CG 4.41Å; W277-L311 HydrophobicContact CZ3-CB 4.38Å; W277-F314 HydrophobicContact CE3-CB 4.23Å; W277-F314 AromaticContact CE3-CD2 3.83Å; W277-F314 HydrophobicContact CE3-CD2 3.83Å; W277-F314 HydrophobicContact CE3-CG 4.24Å; W277-F314 HydrophobicContact CZ3-CB 4.11Å; W277-F314 HydrophobicContact CZ3-CD2 4.23Å; W277-F314 HydrophobicContact CZ3-CG 4.22Å
278	N	98.8	Very high	97.5	Very high	83 Å²	83	47.5 Å²	47.5	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-41	177.1	-71.5	-10.8	0	0	0	111.7	E274 S275 K281 G282	E274-N278 WeakPolarHBondContact O-CB 3.39Å; E274-N278 PolarHBondContact O-N 3.34Å; S275-N278 PolarHBondContact O-N 3.41Å; N278-K281 PolarHBondContact O-N 3.4Å; N278-G282 PolarHBondContact O-N 3.09Å
279	Y	98.9	Very high	97.5	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-45.8	175.6	-178.1	-98.7	0	0	0	111.6	W237 R240 Y250 E259 T263 S275 A276 K281 G282 I283	W237-Y279 HydrophobicContact CD2-CG 4.45Å; W237-Y279 AromaticContact CE3-CD1 3.63Å; W237-Y279 HydrophobicContact CE3-CD1 3.63Å; W237-Y279 AromaticContact CE3-CD2 3.83Å; W237-Y279 HydrophobicContact CE3-CD2 3.83Å; W237-Y279 HydrophobicContact CE3-CE1 4.21Å; W237-Y279 HydrophobicContact CE3-CE2 4.41Å; W237-Y279 AromaticContact CE3-CG 3.4Å; W237-Y279 HydrophobicContact CE3-CG 3.4Å; W237-Y279 AromaticContact CZ3-CD1 3.48Å; W237-Y279 HydrophobicContact CZ3-CD1 3.48Å; W237-Y279 VanDerWaalsContact CZ3-CD1 3.48Å; W237-Y279 AromaticContact CZ3-CE1 3.96Å; W237-Y279 HydrophobicContact CZ3-CE1 3.96Å; W237-Y279 AromaticContact CZ3-CG 3.78Å; W237-Y279 HydrophobicContact CZ3-CG 3.78Å; R240-Y279 HydrophobicContact CB-CE2 4.22Å; R240-Y279 HydrophobicContact CG-CE2 4.27Å; Y250-Y279 PolarHBondContact OH-OH 2.91Å; E259-Y279 PolarHBondContact OE2-OH 3.33Å; T263-Y279 HydrophobicContact CG2-CD1 4.05Å; T263-Y279 VanDerWaalsContact OG1-CD1 3.27Å; T263-Y279 WeakPolarHBondContact OG1-CD1 3.49Å; T263-Y279 WeakPolarHBondContact OG1-CE1 3.32Å; S275-Y279 WeakPolarHBondContact O-CB 3.37Å; S275-Y279 PolarHBondContact O-N 2.66Å; A276-Y279 PolarHBondContact O-N 3.45Å; Y279-K281 VanDerWaalsContact C-N 3.31Å; Y279-K281 PolarHBondContact O-N 3.39Å; Y279-G282 PolarHBondContact O-N 3.18Å; Y279-G282 VanDerWaalsContact O-N 3.17Å; Y279-I283 HydrophobicContact CD1-CD1 4.34Å; Y279-I283 HydrophobicContact CD1-CG2 4.42Å; Y279-I283 HydrophobicContact CD2-CG2 4.34Å; Y279-I283 HydrophobicContact CE1-CD1 3.95Å; Y279-I283 HydrophobicContact CE1-CG2 4.07Å; Y279-I283 HydrophobicContact CE2-CG2 3.95Å; Y279-I283 PolarHBondContact O-N 3.39Å
280	L	98.8	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.4	-45.2	176.1	-177.1	61.5	0	0	0	111.6	V260 T263 L264 I267 A276 W277 L284 L295 F314	V260-L280 HydrophobicContact CB-CD1 4.43Å; V260-L280 HydrophobicContact CG1-CD1 4.14Å; V260-L280 HydrophobicContact CG2-CD1 4.16Å; T263-L280 HydrophobicContact CG2-CB 3.8Å; L264-L280 HydrophobicContact CD2-CD2 3.97Å; I267-L280 HydrophobicContact CD1-CD2 3.85Å; A276-L280 WeakPolarHBondContact O-CB 3.48Å; A276-L280 PolarHBondContact O-N 3.03Å; W277-L280 PolarHBondContact O-N 2.69Å; L280-L284 HydrophobicContact CD1-CD1 3.81Å; L280-L284 HydrophobicContact CG-CD1 4.21Å; L280-L284 WeakPolarHBondContact O-CD1 3.47Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.49Å; L280-L295 HydrophobicContact CD2-CD1 4.4Å; L280-F314 HydrophobicContact CB-CE2 4.2Å; L280-F314 HydrophobicContact CD2-CE2 3.98Å; L280-F314 HydrophobicContact CD2-CZ 4.03Å; L280-F314 HydrophobicContact CG-CE2 3.92Å; L280-F314 HydrophobicContact CG-CZ 3.91Å
281	K	98.6	Very high	97.3	Very high	57 Å²	57	44.6 Å²	44.6	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175.9	-175.1	174.1	179.3	168.4	0	110.6	W277 N278 Y279 I283 L284 Q285 F314 D317	W277-K281 PolarHBondContact O-N 3.04Å; N278-K281 PolarHBondContact O-N 3.4Å; Y279-K281 VanDerWaalsContact C-N 3.31Å; Y279-K281 PolarHBondContact O-N 3.39Å; K281-I283 PolarHBondContact O-N 2.97Å; K281-L284 PolarHBondContact O-N 3.23Å; K281-L284 VanDerWaalsContact O-N 3.14Å; K281-Q285 HydrophobicContact CG-CB 4.39Å; K281-Q285 VanDerWaalsContact O-CB 3.28Å; K281-Q285 WeakPolarHBondContact O-CB 3.39Å; K281-Q285 WeakPolarHBondContact O-CG 3.28Å; K281-Q285 PolarHBondContact O-N 2.83Å; K281-F314 HydrophobicContact CB-CD2 4.38Å; K281-F314 HydrophobicContact CB-CE2 3.74Å; K281-F314 HydrophobicContact CB-CZ 4.49Å; K281-D317 WeakPolarHBondContact CE-OD2 3.44Å; K281-D317 IonicContact NZ-OD1 2.72Å; K281-D317 PolarHBondContact NZ-OD1 3.49Å; K281-D317 IonicContact NZ-OD2 3.03Å; K281-D317 PolarHBondContact NZ-OD2 3.22Å
282	G	98.4	Very high	97.2	Very high	21 Å²	21	46.2 Å²	46.2	22%	0.216	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-41.8	-176.1	0	0	0	0	0	114	N278 Y279 L284	N278-G282 PolarHBondContact O-N 3.09Å; Y279-G282 PolarHBondContact O-N 3.18Å; Y279-G282 VanDerWaalsContact O-N 3.17Å; G282-L284 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 3.32Å
283	I	98.5	Very high	96.9	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.056	23%	0.225	C	C	.	.	H	α-helix	trans	-77	-13.2	-179.3	69	179.4	0	0	0	113.6	Y241 Y250 L256 E259 V260 Y279 K281	Y241-I283 HydrophobicContact CD2-CG2 4.02Å; Y241-I283 HydrophobicContact CE2-CG2 4.3Å; Y250-I283 HydrophobicContact CD1-CB 4.08Å; Y250-I283 HydrophobicContact CD1-CG2 4.08Å; Y250-I283 HydrophobicContact CE1-CB 3.97Å; Y250-I283 HydrophobicContact CE1-CG2 3.49Å; Y250-I283 VanDerWaalsContact CE1-CG2 3.49Å; Y250-I283 HydrophobicContact CE2-CG2 4.28Å; L256-I283 HydrophobicContact CD1-CB 4.36Å; L256-I283 HydrophobicContact CD1-CD1 4.2Å; L256-I283 HydrophobicContact CD1-CG1 4.21Å; E259-I283 HydrophobicContact CB-CD1 3.9Å; V260-I283 HydrophobicContact CG2-CD1 4.13Å; Y279-I283 HydrophobicContact CD1-CD1 4.34Å; Y279-I283 HydrophobicContact CD1-CG2 4.42Å; Y279-I283 HydrophobicContact CD2-CG2 4.34Å; Y279-I283 HydrophobicContact CE1-CD1 3.95Å; Y279-I283 HydrophobicContact CE1-CG2 4.07Å; Y279-I283 HydrophobicContact CE2-CG2 3.95Å; Y279-I283 PolarHBondContact O-N 3.39Å; K281-I283 PolarHBondContact O-N 2.97Å
284	L	98.3	Very high	96.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-110.5	-33.5	-175.9	-61.8	176.6	0	0	0	113.8	L256 V260 L280 K281 G282 D286 R287 G288 L289 Y292 L295	L256-L284 HydrophobicContact CD1-CD2 3.94Å; L256-L284 HydrophobicContact CD2-CD2 4.23Å; L256-L284 HydrophobicContact CG-CD2 4.32Å; V260-L284 HydrophobicContact CG2-CD1 4.36Å; V260-L284 HydrophobicContact CG2-CD2 3.86Å; V260-L284 HydrophobicContact CG2-CG 4.42Å; L280-L284 HydrophobicContact CD1-CD1 3.81Å; L280-L284 HydrophobicContact CG-CD1 4.21Å; L280-L284 WeakPolarHBondContact O-CD1 3.47Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.49Å; K281-L284 PolarHBondContact O-N 3.23Å; K281-L284 VanDerWaalsContact O-N 3.14Å; G282-L284 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 3.32Å; L284-D286 VanDerWaalsContact C-N 3.34Å; L284-D286 PolarHBondContact O-N 3.4Å; L284-R287 PolarHBondContact O-N 3.16Å; L284-G288 PolarHBondContact O-N 2.83Å; L284-L289 HydrophobicContact CB-CD2 3.57Å; L284-L289 HydrophobicContact CD1-CD2 4.45Å; L284-Y292 HydrophobicContact CB-CD2 4.4Å; L284-Y292 HydrophobicContact CB-CE2 4.01Å; L284-Y292 HydrophobicContact CD2-CD1 4.35Å; L284-Y292 HydrophobicContact CD2-CD2 4.02Å; L284-Y292 HydrophobicContact CD2-CE1 3.99Å; L284-Y292 HydrophobicContact CD2-CE2 3.62Å; L284-Y292 HydrophobicContact CD2-CG 4.36Å; L284-Y292 HydrophobicContact CG-CE2 4.32Å; L284-L295 HydrophobicContact CD1-CD2 3.44Å; L284-L295 VanDerWaalsContact CD1-CD2 3.44Å
285	Q	96	Very high	96.5	Very high	96 Å²	96	47.2 Å²	47.2	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-37.8	-167.9	66.2	-177.8	9.4	0	0	113.6	K281 R287 G288	K281-Q285 HydrophobicContact CG-CB 4.39Å; K281-Q285 VanDerWaalsContact O-CB 3.28Å; K281-Q285 WeakPolarHBondContact O-CB 3.39Å; K281-Q285 WeakPolarHBondContact O-CG 3.28Å; K281-Q285 PolarHBondContact O-N 2.83Å; Q285-R287 PolarHBondContact O-N 3.46Å; Q285-R287 VanDerWaalsContact O-N 3.1Å; Q285-G288 PolarHBondContact O-N 2.75Å
286	D	93.6	Very high	96.4	Very high	119 Å²	119	47.7 Å²	47.7	64%	0.636	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15	-179.4	-71.7	-3.7	0	0	0	113.1	L284	L284-D286 VanDerWaalsContact C-N 3.34Å; L284-D286 PolarHBondContact O-N 3.4Å
287	R	94.5	Very high	96.2	Very high	119 Å²	119	52 Å²	52	45%	0.449	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-16	173.6	-65.1	-73.8	172.3	-93.5	1.5	112	N251 L284 Q285 K291 Y292	N251-R287 PolarHBondContact OD1-NH2 2.91Å; L284-R287 PolarHBondContact O-N 3.16Å; Q285-R287 PolarHBondContact O-N 3.46Å; Q285-R287 VanDerWaalsContact O-N 3.1Å; R287-K291 WeakPolarHBondContact O-CD 3.48Å; R287-K291 WeakPolarHBondContact O-CE 3.09Å; R287-K291 PolarHBondContact O-NZ 3.42Å; R287-Y292 HydrophobicContact CB-CE2 4.36Å; R287-Y292 WeakPolarHBondContact CB-OH 3.43Å
288	G	95.3	Very high	96	Very high	8 Å²	8	54.9 Å²	54.9	8%	0.082	28%	0.278	C	S	.	.			trans	90.8	125.5	-168.5	0	0	0	0	0	111.3	L284 Q285 S290 K291 Y292 D321	L284-G288 PolarHBondContact O-N 2.83Å; Q285-G288 PolarHBondContact O-N 2.75Å; G288-S290 VanDerWaalsContact C-N 3.31Å; G288-S290 PolarHBondContact O-N 3.49Å; G288-K291 PolarHBondContact O-N 2.96Å; G288-Y292 WeakPolarHBondContact O-CE2 3.23Å; G288-D321 VanDerWaalsContact CA-OD2 3.3Å; G288-D321 WeakPolarHBondContact CA-OD2 3.45Å
289	L	96.9	Very high	95.8	Very high	9 Å²	9	50.9 Å²	50.9	5%	0.047	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-67.2	-30.7	-178.4	-61.8	179.4	0	0	0	112.6	L284 K291 Y292 F314 D317 I318 D321	L284-L289 HydrophobicContact CB-CD2 3.57Å; L284-L289 HydrophobicContact CD1-CD2 4.45Å; L289-K291 PolarHBondContact O-N 3.24Å; L289-Y292 PolarHBondContact O-N 3.29Å; L289-F314 HydrophobicContact CD1-CE1 4.34Å; L289-F314 HydrophobicContact CD2-CE1 4.39Å; L289-F314 HydrophobicContact CD2-CZ 4.17Å; L289-D317 HydrophobicContact CD1-CB 3.63Å; L289-I318 HydrophobicContact CB-CG1 4.02Å; L289-I318 HydrophobicContact CD1-CG1 4.25Å; L289-D321 HydrophobicContact CB-CB 4.42Å; L289-D321 PolarHBondContact N-OD2 3.38Å
290	S	95.9	Very high	95.6	Very high	33 Å²	33	52.9 Å²	52.9	23%	0.231	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.1	-18.8	177.8	63.4	0	0	0	0	113.6	G288 Y292 D321 N325	G288-S290 VanDerWaalsContact C-N 3.31Å; G288-S290 PolarHBondContact O-N 3.49Å; S290-Y292 PolarHBondContact O-N 2.93Å; S290-D321 WeakPolarHBondContact CB-OD2 3.36Å; S290-D321 PolarHBondContact N-OD2 3.32Å; S290-D321 PolarHBondContact OG-OD2 3.47Å; S290-N325 PolarHBondContact OG-ND2 3.47Å
291	K	95.1	Very high	95.4	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.596	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-72	-8	176.4	-64.2	-166.4	-176.7	150.3	0	113.9	R287 G288 L289 P293	R287-K291 WeakPolarHBondContact O-CD 3.48Å; R287-K291 WeakPolarHBondContact O-CE 3.09Å; R287-K291 PolarHBondContact O-NZ 3.42Å; G288-K291 PolarHBondContact O-N 2.96Å; L289-K291 PolarHBondContact O-N 3.24Å; K291-P293 VanDerWaalsContact C-CD 3.42Å; K291-P293 WeakPolarHBondContact O-CD 3.24Å
292	Y	94.4	Very high	95.2	Very high	60 Å²	60	57.1 Å²	57.1	24%	0.235	29%	0.294	C	S	.	.			trans	-116	70.4	-177.6	-51.7	-79.7	0	0	0	110.6	L256 L284 R287 G288 L289 S290 N294 L295	L256-Y292 HydrophobicContact CD2-CE1 3.94Å; L256-Y292 WeakPolarHBondContact CD2-OH 3.38Å; L284-Y292 HydrophobicContact CB-CD2 4.4Å; L284-Y292 HydrophobicContact CB-CE2 4.01Å; L284-Y292 HydrophobicContact CD2-CD1 4.35Å; L284-Y292 HydrophobicContact CD2-CD2 4.02Å; L284-Y292 HydrophobicContact CD2-CE1 3.99Å; L284-Y292 HydrophobicContact CD2-CE2 3.62Å; L284-Y292 HydrophobicContact CD2-CG 4.36Å; L284-Y292 HydrophobicContact CG-CE2 4.32Å; R287-Y292 HydrophobicContact CB-CE2 4.36Å; R287-Y292 WeakPolarHBondContact CB-OH 3.43Å; G288-Y292 WeakPolarHBondContact O-CE2 3.23Å; L289-Y292 PolarHBondContact O-N 3.29Å; S290-Y292 PolarHBondContact O-N 2.93Å; Y292-N294 PolarHBondContact O-N 2.77Å; Y292-L295 VanDerWaalsContact O-CB 3.24Å; Y292-L295 WeakPolarHBondContact O-CB 3.24Å; Y292-L295 PolarHBondContact O-N 3.09Å
293	P	90.8	Very high	94.8	Very high	81 Å²	81	58.9 Å²	58.9	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-31.3	-173.8	24.9	-35.2	0	0	0	113.2	K291 L295 L296 N297	K291-P293 VanDerWaalsContact C-CD 3.42Å; K291-P293 WeakPolarHBondContact O-CD 3.24Å; P293-L295 PolarHBondContact O-N 3.28Å; P293-L296 PolarHBondContact O-N 2.8Å; P293-N297 PolarHBondContact O-N 3.18Å
294	N	94	Very high	94.4	Very high	118 Å²	118	63.9 Å²	63.9	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-66.8	-25.1	176.1	-65.3	-16.7	0	0	0	112.6	Y292 Q298	Y292-N294 PolarHBondContact O-N 2.77Å; N294-Q298 VanDerWaalsContact O-CG 3.3Å; N294-Q298 WeakPolarHBondContact O-CG 3.34Å; N294-Q298 PolarHBondContact O-N 3.04Å; N294-Q298 VanDerWaalsContact O-N 3.17Å; N294-Q298 PolarHBondContact O-NE2 3.48Å
295	L	94.6	Very high	94	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-68.9	-44.4	177	-179.3	61.4	0	0	0	110.6	L264 L280 L284 Y292 P293 N297 Q298 L299 F314	L264-L295 HydrophobicContact CD1-CD1 4.35Å; L264-L295 HydrophobicContact CD2-CD1 4.2Å; L280-L295 HydrophobicContact CD2-CD1 4.4Å; L284-L295 HydrophobicContact CD1-CD2 3.44Å; L284-L295 VanDerWaalsContact CD1-CD2 3.44Å; Y292-L295 VanDerWaalsContact O-CB 3.24Å; Y292-L295 WeakPolarHBondContact O-CB 3.24Å; Y292-L295 PolarHBondContact O-N 3.09Å; P293-L295 PolarHBondContact O-N 3.28Å; L295-N297 VanDerWaalsContact C-N 3.33Å; L295-N297 PolarHBondContact O-N 3.03Å; L295-Q298 PolarHBondContact O-N 3.31Å; L295-L299 HydrophobicContact CD1-CD1 4.29Å; L295-L299 HydrophobicContact CD1-CD2 4.46Å; L295-L299 HydrophobicContact CD1-CG 4.13Å; L295-L299 HydrophobicContact CG-CD1 4.13Å; L295-L299 HydrophobicContact CG-CG 4.35Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 2.88Å; L295-F314 HydrophobicContact CD2-CE1 3.81Å; L295-F314 HydrophobicContact CD2-CZ 4.1Å
296	L	94.8	Very high	93.6	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-55.3	-49.8	177	176.2	59.6	0	0	0	111.2	P293 Q298 L299 L300 L315 I318 Y319 M322	P293-L296 PolarHBondContact O-N 2.8Å; L296-Q298 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.49Å; L296-L300 HydrophobicContact CD1-CD1 4.04Å; L296-L300 HydrophobicContact CD1-CG 4.16Å; L296-L300 HydrophobicContact CG-CD1 4.03Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 3.43Å; L296-L315 HydrophobicContact CD1-CD2 3.63Å; L296-I318 HydrophobicContact CB-CD1 4.41Å; L296-I318 HydrophobicContact CB-CG2 4.4Å; L296-I318 HydrophobicContact CD1-CD1 4.28Å; L296-I318 HydrophobicContact CD1-CG2 4.13Å; L296-I318 HydrophobicContact CD2-CG2 4.43Å; L296-Y319 HydrophobicContact CD1-CE1 4Å; L296-Y319 HydrophobicContact CD2-CE1 4.27Å; L296-M322 HydrophobicContact CD2-SD 3.94Å
297	N	94.9	Very high	93.3	Very high	89 Å²	89	62.8 Å²	62.8	48%	0.476	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-45.6	179.6	-65.5	-31	0	0	0	111.8	P293 L295 L299 L300 D301	P293-N297 PolarHBondContact O-N 3.18Å; L295-N297 VanDerWaalsContact C-N 3.33Å; L295-N297 PolarHBondContact O-N 3.03Å; N297-L299 VanDerWaalsContact C-N 3.32Å; N297-L299 PolarHBondContact O-N 2.94Å; N297-L300 PolarHBondContact O-N 3.33Å; N297-D301 VanDerWaalsContact O-CG 3.3Å; N297-D301 PolarHBondContact O-N 3.07Å
298	Q	95.1	Very high	93.4	Very high	66 Å²	66	57.2 Å²	57.2	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-38.2	177.7	-74.7	-179.4	74.7	0	0	113	N294 L295 L296 D301 L302	N294-Q298 VanDerWaalsContact O-CG 3.3Å; N294-Q298 WeakPolarHBondContact O-CG 3.34Å; N294-Q298 PolarHBondContact O-N 3.04Å; N294-Q298 VanDerWaalsContact O-N 3.17Å; N294-Q298 PolarHBondContact O-NE2 3.48Å; L295-Q298 PolarHBondContact O-N 3.31Å; L296-Q298 PolarHBondContact O-N 3.1Å; Q298-D301 PolarHBondContact O-N 3.3Å; Q298-L302 WeakPolarHBondContact O-CG 3.2Å; Q298-L302 PolarHBondContact O-N 3.2Å
299	L	95.3	Very high	93.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.9	-37.6	177.3	-66.4	-177.9	0	0	0	112	L264 W277 L295 L296 N297 D301 L302 Q303 F314 L315 I318	L264-L299 HydrophobicContact CD2-CD2 4.28Å; W277-L299 HydrophobicContact CH2-CD2 3.82Å; W277-L299 HydrophobicContact CZ3-CD2 3.77Å; L295-L299 HydrophobicContact CD1-CD1 4.29Å; L295-L299 HydrophobicContact CD1-CD2 4.46Å; L295-L299 HydrophobicContact CD1-CG 4.13Å; L295-L299 HydrophobicContact CG-CD1 4.13Å; L295-L299 HydrophobicContact CG-CG 4.35Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 2.88Å; L296-L299 PolarHBondContact O-N 3.49Å; N297-L299 VanDerWaalsContact C-N 3.32Å; N297-L299 PolarHBondContact O-N 2.94Å; L299-D301 VanDerWaalsContact C-N 3.34Å; L299-L302 PolarHBondContact O-N 3.08Å; L299-Q303 PolarHBondContact O-N 3.1Å; L299-F314 HydrophobicContact CD1-CB 4.46Å; L299-F314 HydrophobicContact CD1-CD1 3.37Å; L299-F314 HydrophobicContact CD1-CE1 3.84Å; L299-F314 HydrophobicContact CD1-CG 4.08Å; L299-L315 HydrophobicContact CB-CD2 4Å; L299-I318 HydrophobicContact CD1-CD1 3.81Å
300	L	94.6	Very high	93.6	Very high	56 Å²	56	60.3 Å²	60.3	29%	0.293	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-39.4	173.3	-70.2	172.2	0	0	0	111.6	L296 N297 L302 Q303 P304 L315	L296-L300 HydrophobicContact CD1-CD1 4.04Å; L296-L300 HydrophobicContact CD1-CG 4.16Å; L296-L300 HydrophobicContact CG-CD1 4.03Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 3.43Å; N297-L300 PolarHBondContact O-N 3.33Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 3.28Å; L300-Q303 VanDerWaalsContact O-CB 3.32Å; L300-Q303 WeakPolarHBondContact O-CB 3.32Å; L300-Q303 PolarHBondContact O-N 3.36Å; L300-P304 WeakPolarHBondContact O-CD 3.46Å; L300-L315 HydrophobicContact CD2-CD1 4.01Å; L300-L315 HydrophobicContact CD2-CD2 4.07Å; L300-L315 HydrophobicContact CG-CD2 4.29Å
301	D	94.8	Very high	93.7	Very high	124 Å²	124	58.8 Å²	58.8	66%	0.663	32%	0.318	S	S	*	.	H	α-helix	trans	-64.5	-31.2	175.2	-69.5	-23.1	0	0	0	112.4	N297 Q298 L299 P304	N297-D301 VanDerWaalsContact O-CG 3.3Å; N297-D301 PolarHBondContact O-N 3.07Å; Q298-D301 PolarHBondContact O-N 3.3Å; L299-D301 VanDerWaalsContact C-N 3.34Å; D301-P304 WeakPolarHBondContact O-CD 3.42Å
302	L	92.7	Very high	93.8	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-78.6	-25.3	175.5	-71.4	176.8	0	0	0	113	K268 Q298 L299 L300 P304 S305 H306 L311	K268-L302 HydrophobicContact CG-CD1 4.31Å; K268-L302 HydrophobicContact CG-CD2 4.08Å; Q298-L302 WeakPolarHBondContact O-CG 3.2Å; Q298-L302 PolarHBondContact O-N 3.2Å; L299-L302 PolarHBondContact O-N 3.08Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 3.28Å; L302-P304 VanDerWaalsContact C-CD 3.44Å; L302-S305 PolarHBondContact O-N 3.04Å; L302-S305 VanDerWaalsContact O-N 3.07Å; L302-S305 PolarHBondContact O-OG 3.06Å; L302-H306 HydrophobicContact CB-CB 4.35Å; L302-H306 WeakPolarHBondContact O-CB 3.44Å; L302-H306 PolarHBondContact O-N 3.44Å; L302-L311 HydrophobicContact CB-CD1 3.95Å
303	Q	91.1	Very high	94	Very high	58 Å²	58	50.3 Å²	50.3	27%	0.271	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-42.2	-173.5	-168.9	-177.2	20.8	0	0	114.5	L299 L300 S305 S307 L311	L299-Q303 PolarHBondContact O-N 3.1Å; L300-Q303 VanDerWaalsContact O-CB 3.32Å; L300-Q303 WeakPolarHBondContact O-CB 3.32Å; L300-Q303 PolarHBondContact O-N 3.36Å; Q303-S305 VanDerWaalsContact C-N 3.3Å; Q303-S305 PolarHBondContact O-N 3.16Å; Q303-S307 WeakPolarHBondContact O-CA 3.22Å; Q303-S307 WeakPolarHBondContact O-CB 3.4Å; Q303-S307 PolarHBondContact O-N 2.89Å; Q303-L311 HydrophobicContact CB-CD2 3.97Å; Q303-L311 HydrophobicContact CG-CD2 3.93Å
304	P	90.4	Very high	94.4	Very high	117 Å²	117	46.6 Å²	46.6	76%	0.76	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.5	-179	-21	33.8	0	0	0	114	L300 D301 L302	L300-P304 WeakPolarHBondContact O-CD 3.46Å; D301-P304 WeakPolarHBondContact O-CD 3.42Å; L302-P304 VanDerWaalsContact C-CD 3.44Å
305	S	88.3	Confident	94.6	Very high	84 Å²	84	41 Å²	41	59%	0.587	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	-23.1	-170.7	50.2	0	0	0	0	113.5	L302 Q303	L302-S305 PolarHBondContact O-N 3.04Å; L302-S305 VanDerWaalsContact O-N 3.07Å; L302-S305 PolarHBondContact O-OG 3.06Å; Q303-S305 VanDerWaalsContact C-N 3.3Å; Q303-S305 PolarHBondContact O-N 3.16Å
306	H	87.5	Confident	94.8	Very high	51 Å²	51	40.7 Å²	40.7	24%	0.236	23%	0.229	C	C	.	.	S	Bend	trans	-131	31.6	-172.9	-59.9	71.8	0	0	0	111.2	P271 L302 S308	P271-H306 HydrophobicContact CB-CB 4.18Å; P271-H306 HydrophobicContact CG-CB 4.46Å; P271-H306 VanDerWaalsContact CG-CD2 3.45Å; P271-H306 WeakPolarHBondContact CG-CD2 3.37Å; L302-H306 HydrophobicContact CB-CB 4.35Å; L302-H306 WeakPolarHBondContact O-CB 3.44Å; L302-H306 PolarHBondContact O-N 3.44Å; H306-S308 PolarHBondContact O-N 2.83Å
307	S	88.9	Confident	95	Very high	57 Å²	57	40.6 Å²	40.6	40%	0.399	23%	0.228	S	C	.	.			trans	-62.5	102.2	-178.4	-150.1	0	0	0	0	111.4	Q303	Q303-S307 WeakPolarHBondContact O-CA 3.22Å; Q303-S307 WeakPolarHBondContact O-CB 3.4Å; Q303-S307 PolarHBondContact O-N 2.89Å
308	S	95.8	Very high	95.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	21%	0.207	C	C	.	.			trans	-120.1	157.3	172.9	72.6	0	0	0	0	109.6	P271 H306 Y310 L311 I312	P271-S308 PolarHBondContact O-OG 2.82Å; H306-S308 PolarHBondContact O-N 2.83Å; S308-Y310 PolarHBondContact O-N 3.31Å; S308-Y310 VanDerWaalsContact O-N 3.14Å; S308-Y310 PolarHBondContact OG-N 3.31Å; S308-L311 PolarHBondContact O-N 3.25Å; S308-L311 VanDerWaalsContact O-N 3.17Å; S308-L311 PolarHBondContact OG-N 3.03Å; S308-I312 WeakPolarHBondContact O-CG1 3.37Å; S308-I312 PolarHBondContact O-N 3.47Å
309	P	97.8	Very high	95.3	Very high	31 Å²	31	34 Å²	34	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-27.6	173.1	22.9	-33.4	0	0	0	112.2	A313 L344 D349	P309-A313 WeakPolarHBondContact O-CB 3.46Å; P309-A313 PolarHBondContact O-N 2.66Å; P309-L344 HydrophobicContact CB-CD2 4.31Å; P309-D349 HydrophobicContact CB-CB 4.09Å
310	Y	98.3	Very high	95.4	Very high	52 Å²	52	35.9 Å²	35.9	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-44.8	176.9	-45.5	-63.7	0	0	0	112.6	H272 E274 W277 S308 A313 F314	H272-Y310 HydrophobicContact CB-CE2 4.26Å; H272-Y310 WeakPolarHBondContact O-CE2 3.39Å; E274-Y310 HydrophobicContact CB-CD1 4.2Å; E274-Y310 HydrophobicContact CB-CE1 3.65Å; E274-Y310 HydrophobicContact CG-CD1 3.94Å; E274-Y310 HydrophobicContact CG-CE1 3.57Å; W277-Y310 VanDerWaalsContact CD1-CB 3.41Å; W277-Y310 AromaticContact CD1-CD2 3.92Å; W277-Y310 AromaticContact CD1-CG 3.8Å; W277-Y310 HydrophobicContact CG-CG 4.28Å; S308-Y310 PolarHBondContact O-N 3.31Å; S308-Y310 VanDerWaalsContact O-N 3.14Å; S308-Y310 PolarHBondContact OG-N 3.31Å; Y310-A313 PolarHBondContact O-N 3.14Å; Y310-F314 WeakPolarHBondContact O-CB 3.48Å; Y310-F314 PolarHBondContact O-N 3.4Å
311	L	98.4	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-46.7	176	-175.4	156.1	0	0	0	110.4	W277 L302 Q303 S308 A313 F314 L315	W277-L311 HydrophobicContact CH2-CB 3.6Å; W277-L311 HydrophobicContact CH2-CD1 4.06Å; W277-L311 HydrophobicContact CH2-CG 3.84Å; W277-L311 HydrophobicContact CZ2-CB 3.78Å; W277-L311 HydrophobicContact CZ2-CD1 4.44Å; W277-L311 HydrophobicContact CZ2-CG 4.41Å; W277-L311 HydrophobicContact CZ3-CB 4.38Å; L302-L311 HydrophobicContact CB-CD1 3.95Å; Q303-L311 HydrophobicContact CB-CD2 3.97Å; Q303-L311 HydrophobicContact CG-CD2 3.93Å; S308-L311 PolarHBondContact O-N 3.25Å; S308-L311 VanDerWaalsContact O-N 3.17Å; S308-L311 PolarHBondContact OG-N 3.03Å; L311-A313 PolarHBondContact O-N 2.95Å; L311-F314 PolarHBondContact O-N 3.36Å; L311-L315 HydrophobicContact CD2-CD1 3.66Å; L311-L315 HydrophobicContact CD2-CG 4.1Å; L311-L315 WeakPolarHBondContact O-CG 3.38Å; L311-L315 PolarHBondContact O-N 2.96Å
312	I	98.1	Very high	95.7	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-43	-179.5	-58.2	172.8	0	0	0	110.5	S308 F314 L315 V316 L340 I343 L344 K348	S308-I312 WeakPolarHBondContact O-CG1 3.37Å; S308-I312 PolarHBondContact O-N 3.47Å; I312-F314 VanDerWaalsContact C-N 3.34Å; I312-F314 PolarHBondContact O-N 3.19Å; I312-L315 PolarHBondContact O-N 3.12Å; I312-V316 WeakPolarHBondContact O-CG2 3.26Å; I312-V316 PolarHBondContact O-N 2.61Å; I312-V316 VanDerWaalsContact O-N 3.08Å; I312-L340 HydrophobicContact CG2-CB 3.93Å; I312-L340 HydrophobicContact CG2-CD1 4.22Å; I312-L340 HydrophobicContact CG2-CD2 3.99Å; I312-L340 HydrophobicContact CG2-CG 4.25Å; I312-I343 HydrophobicContact CD1-CG2 4.44Å; I312-L344 HydrophobicContact CB-CD2 3.96Å; I312-L344 HydrophobicContact CB-CG 4.35Å; I312-L344 HydrophobicContact CG2-CD1 3.87Å; I312-L344 HydrophobicContact CG2-CD2 3.87Å; I312-L344 HydrophobicContact CG2-CG 3.69Å; I312-K348 HydrophobicContact CD1-CB 4.32Å; I312-K348 HydrophobicContact CD1-CG 3.91Å
313	A	98.6	Very high	95.9	Very high	14 Å²	14	29.6 Å²	29.6	12%	0.116	17%	0.169	C	C	.	.	H	α-helix	trans	-58.7	-43.7	173.1	0	0	0	0	0	112.1	P309 Y310 L311 L315 V316 D317 W356	P309-A313 WeakPolarHBondContact O-CB 3.46Å; P309-A313 PolarHBondContact O-N 2.66Å; Y310-A313 PolarHBondContact O-N 3.14Å; L311-A313 PolarHBondContact O-N 2.95Å; A313-L315 VanDerWaalsContact C-N 3.34Å; A313-L315 PolarHBondContact O-N 3.16Å; A313-V316 WeakPolarHBondContact O-CB 3.39Å; A313-V316 PolarHBondContact O-N 2.76Å; A313-V316 VanDerWaalsContact O-N 3.15Å; A313-D317 PolarHBondContact O-N 3.29Å; A313-W356 HydrophobicContact CB-CH2 3.47Å; A313-W356 VanDerWaalsContact CB-CH2 3.47Å; A313-W356 HydrophobicContact CB-CZ2 3.78Å
314	F	98.6	Very high	96.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178.5	-156	-72	0	0	0	112	W277 L280 K281 L289 L295 L299 Y310 L311 I312 V316 D317 I318	W277-F314 HydrophobicContact CE3-CB 4.23Å; W277-F314 AromaticContact CE3-CD2 3.83Å; W277-F314 HydrophobicContact CE3-CD2 3.83Å; W277-F314 HydrophobicContact CE3-CG 4.24Å; W277-F314 HydrophobicContact CZ3-CB 4.11Å; W277-F314 HydrophobicContact CZ3-CD2 4.23Å; W277-F314 HydrophobicContact CZ3-CG 4.22Å; L280-F314 HydrophobicContact CB-CE2 4.2Å; L280-F314 HydrophobicContact CD2-CE2 3.98Å; L280-F314 HydrophobicContact CD2-CZ 4.03Å; L280-F314 HydrophobicContact CG-CE2 3.92Å; L280-F314 HydrophobicContact CG-CZ 3.91Å; K281-F314 HydrophobicContact CB-CD2 4.38Å; K281-F314 HydrophobicContact CB-CE2 3.74Å; K281-F314 HydrophobicContact CB-CZ 4.49Å; L289-F314 HydrophobicContact CD1-CE1 4.34Å; L289-F314 HydrophobicContact CD2-CE1 4.39Å; L289-F314 HydrophobicContact CD2-CZ 4.17Å; L295-F314 HydrophobicContact CD2-CE1 3.81Å; L295-F314 HydrophobicContact CD2-CZ 4.1Å; L299-F314 HydrophobicContact CD1-CB 4.46Å; L299-F314 HydrophobicContact CD1-CD1 3.37Å; L299-F314 HydrophobicContact CD1-CE1 3.84Å; L299-F314 HydrophobicContact CD1-CG 4.08Å; Y310-F314 WeakPolarHBondContact O-CB 3.48Å; Y310-F314 PolarHBondContact O-N 3.4Å; L311-F314 PolarHBondContact O-N 3.36Å; I312-F314 VanDerWaalsContact C-N 3.34Å; I312-F314 PolarHBondContact O-N 3.19Å; F314-V316 VanDerWaalsContact C-N 3.34Å; F314-D317 PolarHBondContact O-N 3.34Å; F314-I318 HydrophobicContact CD1-CD1 3.67Å; F314-I318 HydrophobicContact CD1-CG1 3.91Å; F314-I318 HydrophobicContact CE1-CD1 3.79Å; F314-I318 HydrophobicContact CE1-CG1 3.94Å; F314-I318 WeakPolarHBondContact O-CG1 3.21Å; F314-I318 PolarHBondContact O-N 3.25Å
315	L	98.3	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-40.9	172.8	-69	176.6	0	0	0	111.6	L296 L299 L300 L311 I312 A313 D317 I318 Y319 L340	L296-L315 HydrophobicContact CD1-CD2 3.63Å; L299-L315 HydrophobicContact CB-CD2 4Å; L300-L315 HydrophobicContact CD2-CD1 4.01Å; L300-L315 HydrophobicContact CD2-CD2 4.07Å; L300-L315 HydrophobicContact CG-CD2 4.29Å; L311-L315 HydrophobicContact CD2-CD1 3.66Å; L311-L315 HydrophobicContact CD2-CG 4.1Å; L311-L315 WeakPolarHBondContact O-CG 3.38Å; L311-L315 PolarHBondContact O-N 2.96Å; I312-L315 PolarHBondContact O-N 3.12Å; A313-L315 VanDerWaalsContact C-N 3.34Å; A313-L315 PolarHBondContact O-N 3.16Å; L315-D317 VanDerWaalsContact C-N 3.35Å; L315-I318 PolarHBondContact O-N 3.32Å; L315-Y319 HydrophobicContact CB-CE2 4.32Å; L315-Y319 WeakPolarHBondContact O-CD2 3.29Å; L315-Y319 VanDerWaalsContact O-CG 3.26Å; L315-Y319 PolarHBondContact O-N 3.49Å; L315-L340 HydrophobicContact CB-CD1 3.65Å; L315-L340 HydrophobicContact CD1-CD1 4.16Å
316	V	98.4	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-45.1	173.6	174.4	0	0	0	0	110.7	I312 A313 F314 I318 Y319 E320 L340 L344 W356 I359	I312-V316 WeakPolarHBondContact O-CG2 3.26Å; I312-V316 PolarHBondContact O-N 2.61Å; I312-V316 VanDerWaalsContact O-N 3.08Å; A313-V316 WeakPolarHBondContact O-CB 3.39Å; A313-V316 PolarHBondContact O-N 2.76Å; A313-V316 VanDerWaalsContact O-N 3.15Å; F314-V316 VanDerWaalsContact C-N 3.34Å; V316-I318 VanDerWaalsContact C-N 3.35Å; V316-I318 PolarHBondContact O-N 3.06Å; V316-Y319 PolarHBondContact O-N 3.04Å; V316-E320 PolarHBondContact O-N 3.45Å; V316-L340 HydrophobicContact CG2-CB 3.57Å; V316-L340 HydrophobicContact CG2-CD1 4.15Å; V316-L344 HydrophobicContact CG2-CD1 4.1Å; V316-W356 HydrophobicContact CB-CZ3 4.4Å; V316-W356 HydrophobicContact CG1-CZ3 4.18Å; V316-I359 HydrophobicContact CG1-CG2 3.99Å
317	D	98.6	Very high	96.5	Very high	20 Å²	20	33.6 Å²	33.6	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-40.7	177.2	-65.7	-44.9	0	0	0	112.1	K281 L289 A313 F314 L315 D321	K281-D317 WeakPolarHBondContact CE-OD2 3.44Å; K281-D317 IonicContact NZ-OD1 2.72Å; K281-D317 PolarHBondContact NZ-OD1 3.49Å; K281-D317 IonicContact NZ-OD2 3.03Å; K281-D317 PolarHBondContact NZ-OD2 3.22Å; L289-D317 HydrophobicContact CD1-CB 3.63Å; A313-D317 PolarHBondContact O-N 3.29Å; F314-D317 PolarHBondContact O-N 3.34Å; L315-D317 VanDerWaalsContact C-N 3.35Å; D317-D321 PolarHBondContact O-N 3.08Å
318	I	98.2	Very high	96.5	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-46.9	174.5	-69.4	168.7	0	0	0	110.4	L289 L296 L299 F314 L315 V316 E320 D321 M322	L289-I318 HydrophobicContact CB-CG1 4.02Å; L289-I318 HydrophobicContact CD1-CG1 4.25Å; L296-I318 HydrophobicContact CB-CD1 4.41Å; L296-I318 HydrophobicContact CB-CG2 4.4Å; L296-I318 HydrophobicContact CD1-CD1 4.28Å; L296-I318 HydrophobicContact CD1-CG2 4.13Å; L296-I318 HydrophobicContact CD2-CG2 4.43Å; L299-I318 HydrophobicContact CD1-CD1 3.81Å; F314-I318 HydrophobicContact CD1-CD1 3.67Å; F314-I318 HydrophobicContact CD1-CG1 3.91Å; F314-I318 HydrophobicContact CE1-CD1 3.79Å; F314-I318 HydrophobicContact CE1-CG1 3.94Å; F314-I318 WeakPolarHBondContact O-CG1 3.21Å; F314-I318 PolarHBondContact O-N 3.25Å; L315-I318 PolarHBondContact O-N 3.32Å; V316-I318 VanDerWaalsContact C-N 3.35Å; V316-I318 PolarHBondContact O-N 3.06Å; I318-E320 VanDerWaalsContact C-N 3.35Å; I318-E320 PolarHBondContact O-N 3.25Å; I318-D321 PolarHBondContact O-N 2.99Å; I318-M322 HydrophobicContact CG2-CG 4.17Å; I318-M322 HydrophobicContact CG2-SD 3.8Å; I318-M322 WeakPolarHBondContact O-CB 3.21Å; I318-M322 VanDerWaalsContact O-CG 3.28Å; I318-M322 WeakPolarHBondContact O-CG 3.28Å; I318-M322 PolarHBondContact O-N 3.27Å
319	Y	98.1	Very high	96.4	Very high	13 Å²	13	43.4 Å²	43.4	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-37.1	-179	-65.1	-34.9	0	0	0	112.5	L296 L315 V316 M322 L323 I333 K336 A337 L340	L296-Y319 HydrophobicContact CD1-CE1 4Å; L296-Y319 HydrophobicContact CD2-CE1 4.27Å; L315-Y319 HydrophobicContact CB-CE2 4.32Å; L315-Y319 WeakPolarHBondContact O-CD2 3.29Å; L315-Y319 VanDerWaalsContact O-CG 3.26Å; L315-Y319 PolarHBondContact O-N 3.49Å; V316-Y319 PolarHBondContact O-N 3.04Å; Y319-M322 HydrophobicContact CD1-SD 4.04Å; Y319-M322 PolarHBondContact O-N 2.97Å; Y319-L323 WeakPolarHBondContact O-CB 3.37Å; Y319-L323 WeakPolarHBondContact O-CD1 3.49Å; Y319-L323 WeakPolarHBondContact O-CG 3.44Å; Y319-L323 PolarHBondContact O-N 3.36Å; Y319-I333 HydrophobicContact CD1-CD1 4.28Å; Y319-I333 HydrophobicContact CD1-CG2 3.77Å; Y319-I333 HydrophobicContact CE1-CD1 4.22Å; Y319-I333 HydrophobicContact CG-CG2 4Å; Y319-K336 HydrophobicContact CD2-CB 4.44Å; Y319-K336 HydrophobicContact CE2-CB 3.97Å; Y319-A337 HydrophobicContact CD2-CB 4.04Å; Y319-A337 HydrophobicContact CG-CB 4.35Å; Y319-L340 HydrophobicContact CD2-CD1 4.26Å; Y319-L340 HydrophobicContact CE2-CD1 3.79Å
320	E	97.9	Very high	96.2	Very high	40 Å²	40	44.7 Å²	44.7	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-53.2	172	-177.9	168.5	-162	0	0	110.6	V316 I318 M322 L323 E324 L363 K366	V316-E320 PolarHBondContact O-N 3.45Å; I318-E320 VanDerWaalsContact C-N 3.35Å; I318-E320 PolarHBondContact O-N 3.25Å; E320-M322 VanDerWaalsContact C-N 3.33Å; E320-M322 PolarHBondContact O-N 3.31Å; E320-L323 PolarHBondContact O-N 3.1Å; E320-L323 VanDerWaalsContact O-N 3.13Å; E320-E324 WeakPolarHBondContact O-CG 3.4Å; E320-E324 PolarHBondContact O-N 2.8Å; E320-L363 HydrophobicContact CB-CD2 4.04Å; E320-L363 HydrophobicContact CG-CD2 3.97Å; E320-K366 IonicContact OE1-NZ 3.76Å
321	D	97.8	Very high	96	Very high	28 Å²	28	46 Å²	46	15%	0.15	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-33.7	-180	-170.6	65.8	0	0	0	112.4	G288 L289 S290 D317 I318 E324 N325	G288-D321 VanDerWaalsContact CA-OD2 3.3Å; G288-D321 WeakPolarHBondContact CA-OD2 3.45Å; L289-D321 HydrophobicContact CB-CB 4.42Å; L289-D321 PolarHBondContact N-OD2 3.38Å; S290-D321 WeakPolarHBondContact CB-OD2 3.36Å; S290-D321 PolarHBondContact N-OD2 3.32Å; S290-D321 PolarHBondContact OG-OD2 3.47Å; D317-D321 PolarHBondContact O-N 3.08Å; I318-D321 PolarHBondContact O-N 2.99Å; D321-E324 PolarHBondContact O-N 3.23Å; D321-N325 WeakPolarHBondContact O-CB 3.46Å; D321-N325 PolarHBondContact O-N 3.37Å; D321-N325 VanDerWaalsContact O-N 3.08Å; D321-N325 PolarHBondContact O-ND2 2.86Å; D321-N325 PolarHBondContact OD1-ND2 3.48Å; D321-N325 PolarHBondContact OD2-ND2 3.16Å
322	M	97.1	Very high	95.9	Very high	35 Å²	35	49.6 Å²	49.6	17%	0.172	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-40.6	172.7	-75.1	177.8	67	0	0	112.2	L296 I318 Y319 E320 N325 Q326 C327 I333	L296-M322 HydrophobicContact CD2-SD 3.94Å; I318-M322 HydrophobicContact CG2-CG 4.17Å; I318-M322 HydrophobicContact CG2-SD 3.8Å; I318-M322 WeakPolarHBondContact O-CB 3.21Å; I318-M322 VanDerWaalsContact O-CG 3.28Å; I318-M322 WeakPolarHBondContact O-CG 3.28Å; I318-M322 PolarHBondContact O-N 3.27Å; Y319-M322 HydrophobicContact CD1-SD 4.04Å; Y319-M322 PolarHBondContact O-N 2.97Å; E320-M322 VanDerWaalsContact C-N 3.33Å; E320-M322 PolarHBondContact O-N 3.31Å; M322-N325 PolarHBondContact O-N 3.44Å; M322-Q326 PolarHBondContact O-N 3.21Å; M322-C327 VanDerWaalsContact C-SG 3.59Å; M322-C327 HydrophobicContact CB-CB 4.07Å; M322-C327 HydrophobicContact CE-CB 4.14Å; M322-C327 VanDerWaalsContact O-CB 3.28Å; M322-C327 WeakPolarHBondContact O-CB 3.42Å; M322-C327 PolarHBondContact O-N 2.84Å; M322-C327 VanDerWaalsContact O-N 3.08Å; M322-C327 PolarHBondContact O-SG 3.5Å; M322-I333 HydrophobicContact CB-CG2 4.43Å; M322-I333 HydrophobicContact CE-CD1 3.81Å; M322-I333 HydrophobicContact CE-CG1 4.15Å
323	L	96.8	Very high	95.9	Very high	5 Å²	5	50 Å²	50	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-37.5	177.9	-70.1	166.4	0	0	0	111.7	Y319 E320 N325 Q326 K330 I333 L334 L363 H367	Y319-L323 WeakPolarHBondContact O-CB 3.37Å; Y319-L323 WeakPolarHBondContact O-CD1 3.49Å; Y319-L323 WeakPolarHBondContact O-CG 3.44Å; Y319-L323 PolarHBondContact O-N 3.36Å; E320-L323 PolarHBondContact O-N 3.1Å; E320-L323 VanDerWaalsContact O-N 3.13Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.01Å; L323-Q326 PolarHBondContact O-N 3.49Å; L323-K330 HydrophobicContact CD2-CG 3.69Å; L323-K330 WeakPolarHBondContact CD2-O 3.21Å; L323-I333 HydrophobicContact CD1-CG2 4.37Å; L323-I333 HydrophobicContact CD2-CB 4.19Å; L323-I333 HydrophobicContact CD2-CG2 4.03Å; L323-I333 HydrophobicContact CG-CG2 3.9Å; L323-L334 HydrophobicContact CD1-CB 4.33Å; L323-L334 HydrophobicContact CD1-CD1 4.11Å; L323-L334 HydrophobicContact CD2-CB 4.18Å; L323-L363 HydrophobicContact CD1-CD2 4.06Å; L323-H367 HydrophobicContact CD2-CB 4.42Å
324	E	95.7	Very high	95.8	Very high	94 Å²	94	49.5 Å²	49.5	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-32.7	175.2	-69.8	-171.9	163.8	0	0	112.3	E320 D321 K366	E320-E324 WeakPolarHBondContact O-CG 3.4Å; E320-E324 PolarHBondContact O-N 2.8Å; D321-E324 PolarHBondContact O-N 3.23Å; E324-K366 IonicContact OE1-NZ 2.68Å; E324-K366 PolarHBondContact OE1-NZ 2.91Å
325	N	94.5	Very high	95.8	Very high	94 Å²	94	53.4 Å²	53.4	50%	0.503	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	21.6	180	-67.3	-72.8	0	0	0	114.5	S290 D321 M322 L323 C327	S290-N325 PolarHBondContact OG-ND2 3.47Å; D321-N325 WeakPolarHBondContact O-CB 3.46Å; D321-N325 PolarHBondContact O-N 3.37Å; D321-N325 VanDerWaalsContact O-N 3.08Å; D321-N325 PolarHBondContact O-ND2 2.86Å; D321-N325 PolarHBondContact OD1-ND2 3.48Å; D321-N325 PolarHBondContact OD2-ND2 3.16Å; M322-N325 PolarHBondContact O-N 3.44Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.01Å; N325-C327 PolarHBondContact O-N 3.4Å
326	Q	89.8	Confident	95.7	Very high	177 Å²	177	57.2 Å²	57.2	83%	0.827	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	47.6	173.7	-56.9	173.6	30.3	0	0	114	M322 L323	M322-Q326 PolarHBondContact O-N 3.21Å; L323-Q326 PolarHBondContact O-N 3.49Å
327	C	90.5	Very high	95.7	Very high	29 Å²	29	57.2 Å²	57.2	20%	0.196	29%	0.287	C	S	.	.			trans	-59.3	154.9	175.3	64.2	0	0	0	0	113.9	M322 N325	M322-C327 VanDerWaalsContact C-SG 3.59Å; M322-C327 HydrophobicContact CB-CB 4.07Å; M322-C327 HydrophobicContact CE-CB 4.14Å; M322-C327 VanDerWaalsContact O-CB 3.28Å; M322-C327 WeakPolarHBondContact O-CB 3.42Å; M322-C327 PolarHBondContact O-N 2.84Å; M322-C327 VanDerWaalsContact O-N 3.08Å; M322-C327 PolarHBondContact O-SG 3.5Å; N325-C327 PolarHBondContact O-N 3.4Å
328	D	89.7	Confident	95.7	Very high	141 Å²	141	57.9 Å²	57.9	75%	0.754	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	152.3	166.2	-65.9	-40.6	0	0	0	110.6	K330	D328-K330 VanDerWaalsContact C-N 3.28Å; D328-K330 PolarHBondContact O-N 3.49Å
329	N	92.4	Very high	95.7	Very high	125 Å²	125	63.7 Å²	63.7	67%	0.668	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	35	-178	-50.6	-57.5	0	0	0	114.2	E331 D332 I333	N329-E331 PolarHBondContact O-N 3.11Å; N329-D332 HydrophobicContact CB-CB 4.19Å; N329-D332 WeakPolarHBondContact O-CB 3.38Å; N329-D332 PolarHBondContact O-N 2.99Å; N329-I333 PolarHBondContact O-N 3.01Å; N329-I333 VanDerWaalsContact O-N 3.1Å
330	K	94.1	Very high	95.7	Very high	57 Å²	57	63.8 Å²	63.8	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-38.5	-46.9	178	-173.2	-173	-179.5	-165.6	0	114	L323 D328 I333 L334 H367 D372	L323-K330 HydrophobicContact CD2-CG 3.69Å; L323-K330 WeakPolarHBondContact CD2-O 3.21Å; D328-K330 VanDerWaalsContact C-N 3.28Å; D328-K330 PolarHBondContact O-N 3.49Å; K330-I333 PolarHBondContact O-N 3.29Å; K330-L334 WeakPolarHBondContact O-CB 3.37Å; K330-L334 PolarHBondContact O-N 3.3Å; K330-H367 WeakPolarHBondContact CE-O 3.34Å; K330-H367 PolarHBondContact NZ-O 3.44Å; K330-D372 IonicContact NZ-OD2 3.82Å
331	E	94.9	Very high	95.8	Very high	80 Å²	80	62.1 Å²	62.1	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-39.5	-177.9	-159.5	64	-162.3	0	0	113	N329 N335	N329-E331 PolarHBondContact O-N 3.11Å; E331-N335 WeakPolarHBondContact O-CB 3.43Å; E331-N335 VanDerWaalsContact O-CG 3.25Å; E331-N335 PolarHBondContact O-N 2.79Å; E331-N335 PolarHBondContact O-ND2 3.43Å
332	D	96.1	Very high	95.8	Very high	76 Å²	76	64.6 Å²	64.6	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-66.9	-43.1	176	178.2	63.7	0	0	0	111	N329 N335 K336	N329-D332 HydrophobicContact CB-CB 4.19Å; N329-D332 WeakPolarHBondContact O-CB 3.38Å; N329-D332 PolarHBondContact O-N 2.99Å; D332-N335 PolarHBondContact O-N 2.75Å; D332-K336 WeakPolarHBondContact O-CG 3.48Å; D332-K336 PolarHBondContact O-N 3.45Å; D332-K336 IonicContact OD1-NZ 3.51Å; D332-K336 VanDerWaalsContact OD2-CE 3.27Å; D332-K336 WeakPolarHBondContact OD2-CE 3.42Å; D332-K336 IonicContact OD2-NZ 3.05Å; D332-K336 PolarHBondContact OD2-NZ 3.46Å
333	I	96.9	Very high	95.8	Very high	14 Å²	14	65.5 Å²	65.5	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-43.9	177	-60.7	-60.2	0	0	0	111.1	Y319 M322 L323 N329 K330 K336 A337	Y319-I333 HydrophobicContact CD1-CD1 4.28Å; Y319-I333 HydrophobicContact CD1-CG2 3.77Å; Y319-I333 HydrophobicContact CE1-CD1 4.22Å; Y319-I333 HydrophobicContact CG-CG2 4Å; M322-I333 HydrophobicContact CB-CG2 4.43Å; M322-I333 HydrophobicContact CE-CD1 3.81Å; M322-I333 HydrophobicContact CE-CG1 4.15Å; L323-I333 HydrophobicContact CD1-CG2 4.37Å; L323-I333 HydrophobicContact CD2-CB 4.19Å; L323-I333 HydrophobicContact CD2-CG2 4.03Å; L323-I333 HydrophobicContact CG-CG2 3.9Å; N329-I333 PolarHBondContact O-N 3.01Å; N329-I333 VanDerWaalsContact O-N 3.1Å; K330-I333 PolarHBondContact O-N 3.29Å; I333-K336 PolarHBondContact O-N 2.77Å; I333-A337 WeakPolarHBondContact O-CB 3.3Å; I333-A337 PolarHBondContact O-N 2.93Å
334	L	97.8	Very high	95.9	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-47.9	175.7	178.7	59.5	0	0	0	111.2	L323 K330 K336 A337 L338 L363 H367	L323-L334 HydrophobicContact CD1-CB 4.33Å; L323-L334 HydrophobicContact CD1-CD1 4.11Å; L323-L334 HydrophobicContact CD2-CB 4.18Å; K330-L334 WeakPolarHBondContact O-CB 3.37Å; K330-L334 PolarHBondContact O-N 3.3Å; L334-K336 PolarHBondContact O-N 3.48Å; L334-A337 PolarHBondContact O-N 2.84Å; L334-L338 HydrophobicContact CD1-CD1 4.09Å; L334-L338 HydrophobicContact CD1-CG 4.15Å; L334-L338 HydrophobicContact CG-CD1 4.05Å; L334-L338 HydrophobicContact CG-CG 4.49Å; L334-L338 VanDerWaalsContact O-CG 3.27Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 3.1Å; L334-L363 HydrophobicContact CD1-CB 3.81Å; L334-H367 HydrophobicContact CD1-CB 4.44Å; L334-H367 HydrophobicContact CD2-CB 4.35Å
335	N	97.6	Very high	96.1	Very high	87 Å²	87	60.9 Å²	60.9	47%	0.465	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-43.5	179	-74.7	-40.7	0	0	0	112.2	E331 D332 L338 E339	E331-N335 WeakPolarHBondContact O-CB 3.43Å; E331-N335 VanDerWaalsContact O-CG 3.25Å; E331-N335 PolarHBondContact O-N 2.79Å; E331-N335 PolarHBondContact O-ND2 3.43Å; D332-N335 PolarHBondContact O-N 2.75Å; N335-L338 PolarHBondContact O-N 3.44Å; N335-E339 PolarHBondContact O-N 3.34Å
336	K	97.6	Very high	96.2	Very high	81 Å²	81	63.1 Å²	63.1	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-46.7	174.1	-75.8	169.8	176.7	165.5	0	112	Y319 D332 I333 L334 L338 E339 L340	Y319-K336 HydrophobicContact CD2-CB 4.44Å; Y319-K336 HydrophobicContact CE2-CB 3.97Å; D332-K336 WeakPolarHBondContact O-CG 3.48Å; D332-K336 PolarHBondContact O-N 3.45Å; D332-K336 IonicContact OD1-NZ 3.51Å; D332-K336 VanDerWaalsContact OD2-CE 3.27Å; D332-K336 WeakPolarHBondContact OD2-CE 3.42Å; D332-K336 IonicContact OD2-NZ 3.05Å; D332-K336 PolarHBondContact OD2-NZ 3.46Å; I333-K336 PolarHBondContact O-N 2.77Å; L334-K336 PolarHBondContact O-N 3.48Å; K336-L338 VanDerWaalsContact C-N 3.32Å; K336-L338 PolarHBondContact O-N 2.89Å; K336-E339 PolarHBondContact O-N 3.13Å; K336-L340 WeakPolarHBondContact O-CG 3.19Å; K336-L340 PolarHBondContact O-N 2.87Å
337	A	98.1	Very high	96.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-40.4	179.3	0	0	0	0	0	112.1	Y319 I333 L334 L340 C341 L363	Y319-A337 HydrophobicContact CD2-CB 4.04Å; Y319-A337 HydrophobicContact CG-CB 4.35Å; I333-A337 WeakPolarHBondContact O-CB 3.3Å; I333-A337 PolarHBondContact O-N 2.93Å; L334-A337 PolarHBondContact O-N 2.84Å; A337-L340 PolarHBondContact O-N 2.53Å; A337-C341 PolarHBondContact O-N 2.78Å; A337-C341 PolarHBondContact O-SG 3.15Å; A337-L363 HydrophobicContact CB-CD1 3.8Å
338	L	98.4	Very high	96.9	Very high	34 Å²	34	63.8 Å²	63.8	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-39.8	177.1	-65.8	174.3	0	0	0	112.6	L334 N335 K336 C341 E342 G360 L363 Q364	L334-L338 HydrophobicContact CD1-CD1 4.09Å; L334-L338 HydrophobicContact CD1-CG 4.15Å; L334-L338 HydrophobicContact CG-CD1 4.05Å; L334-L338 HydrophobicContact CG-CG 4.49Å; L334-L338 VanDerWaalsContact O-CG 3.27Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 3.1Å; N335-L338 PolarHBondContact O-N 3.44Å; K336-L338 VanDerWaalsContact C-N 3.32Å; K336-L338 PolarHBondContact O-N 2.89Å; L338-C341 PolarHBondContact O-N 3.4Å; L338-E342 PolarHBondContact O-N 2.69Å; L338-G360 VanDerWaalsContact CD2-O 3.25Å; L338-G360 WeakPolarHBondContact CD2-O 3.41Å; L338-L363 HydrophobicContact CD2-CB 4.32Å; L338-Q364 HydrophobicContact CD1-CG 3.69Å; L338-Q364 HydrophobicContact CD2-CG 3.8Å; L338-Q364 HydrophobicContact CG-CG 4.4Å
339	E	98.3	Very high	97.3	Very high	125 Å²	125	57.8 Å²	57.8	58%	0.584	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-47.5	173.2	-176.8	180	-175.2	0	0	110.9	N335 K336 C341 E342 I343	N335-E339 PolarHBondContact O-N 3.34Å; K336-E339 PolarHBondContact O-N 3.13Å; E339-C341 PolarHBondContact O-N 3Å; E339-E342 PolarHBondContact O-N 2.83Å; E339-I343 HydrophobicContact CG-CD1 4.02Å; E339-I343 WeakPolarHBondContact O-CG1 3.4Å; E339-I343 PolarHBondContact O-N 3.33Å
340	L	98.3	Very high	97.6	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-41.4	177.2	-65	-170.2	0	0	0	112.3	I312 L315 V316 Y319 K336 A337 E342 I343 L344	I312-L340 HydrophobicContact CG2-CB 3.93Å; I312-L340 HydrophobicContact CG2-CD1 4.22Å; I312-L340 HydrophobicContact CG2-CD2 3.99Å; I312-L340 HydrophobicContact CG2-CG 4.25Å; L315-L340 HydrophobicContact CB-CD1 3.65Å; L315-L340 HydrophobicContact CD1-CD1 4.16Å; V316-L340 HydrophobicContact CG2-CB 3.57Å; V316-L340 HydrophobicContact CG2-CD1 4.15Å; Y319-L340 HydrophobicContact CD2-CD1 4.26Å; Y319-L340 HydrophobicContact CE2-CD1 3.79Å; K336-L340 WeakPolarHBondContact O-CG 3.19Å; K336-L340 PolarHBondContact O-N 2.87Å; A337-L340 PolarHBondContact O-N 2.53Å; L340-E342 VanDerWaalsContact C-N 3.26Å; L340-E342 PolarHBondContact O-N 3.31Å; L340-I343 HydrophobicContact CD2-CD1 4.31Å; L340-I343 PolarHBondContact O-N 3.08Å; L340-L344 WeakPolarHBondContact O-CB 3.24Å; L340-L344 VanDerWaalsContact O-CG 3.3Å; L340-L344 WeakPolarHBondContact O-CG 3.39Å; L340-L344 PolarHBondContact O-N 3.36Å
341	C	98.7	Very high	97.8	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.034	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-40.8	174.2	-72.8	0	0	0	0	111.6	A337 L338 E339 L344 A345	A337-C341 PolarHBondContact O-N 2.78Å; A337-C341 PolarHBondContact O-SG 3.15Å; L338-C341 PolarHBondContact O-N 3.4Å; E339-C341 PolarHBondContact O-N 3Å; C341-L344 PolarHBondContact O-N 3.39Å; C341-A345 VanDerWaalsContact O-CB 3.23Å; C341-A345 WeakPolarHBondContact O-CB 3.21Å; C341-A345 PolarHBondContact O-N 2.99Å
342	E	98.5	Very high	98	Very high	80 Å²	80	61.3 Å²	61.3	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-70.3	-40.8	179.3	-171.9	68.2	169.1	0	0	112	L338 E339 L340 A345 K346	L338-E342 PolarHBondContact O-N 2.69Å; E339-E342 PolarHBondContact O-N 2.83Å; L340-E342 VanDerWaalsContact C-N 3.26Å; L340-E342 PolarHBondContact O-N 3.31Å; E342-A345 PolarHBondContact O-N 3.25Å; E342-K346 HydrophobicContact CG-CD 4.03Å; E342-K346 WeakPolarHBondContact O-CB 3.4Å; E342-K346 PolarHBondContact O-N 2.82Å; E342-K346 VanDerWaalsContact OE1-CD 3.25Å; E342-K346 WeakPolarHBondContact OE1-CD 3.42Å; E342-K346 WeakPolarHBondContact OE1-CE 3.47Å; E342-K346 IonicContact OE1-NZ 2.8Å; E342-K346 PolarHBondContact OE1-NZ 3.31Å
343	I	98.1	Very high	98.1	Very high	53 Å²	53	61.1 Å²	61.1	27%	0.272	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-46.5	173.3	-70.8	167.6	0	0	0	110.7	I312 E339 L340 E347 K348	I312-I343 HydrophobicContact CD1-CG2 4.44Å; E339-I343 HydrophobicContact CG-CD1 4.02Å; E339-I343 WeakPolarHBondContact O-CG1 3.4Å; E339-I343 PolarHBondContact O-N 3.33Å; L340-I343 HydrophobicContact CD2-CD1 4.31Å; L340-I343 PolarHBondContact O-N 3.08Å; I343-E347 PolarHBondContact O-N 3.05Å; I343-K348 HydrophobicContact CG2-CB 4.37Å; I343-K348 HydrophobicContact CG2-CG 3.51Å; I343-K348 PolarHBondContact O-N 3.5Å
344	L	98.6	Very high	98.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.312	C	S	.	.	I	π-helix	trans	-61.3	-46.4	176.1	-71.8	165.5	0	0	0	111.2	P309 I312 V316 L340 C341 K346 K348 D349 W356	P309-L344 HydrophobicContact CB-CD2 4.31Å; I312-L344 HydrophobicContact CB-CD2 3.96Å; I312-L344 HydrophobicContact CB-CG 4.35Å; I312-L344 HydrophobicContact CG2-CD1 3.87Å; I312-L344 HydrophobicContact CG2-CD2 3.87Å; I312-L344 HydrophobicContact CG2-CG 3.69Å; V316-L344 HydrophobicContact CG2-CD1 4.1Å; L340-L344 WeakPolarHBondContact O-CB 3.24Å; L340-L344 VanDerWaalsContact O-CG 3.3Å; L340-L344 WeakPolarHBondContact O-CG 3.39Å; L340-L344 PolarHBondContact O-N 3.36Å; C341-L344 PolarHBondContact O-N 3.39Å; L344-K346 PolarHBondContact O-N 3Å; L344-K348 HydrophobicContact CD2-CB 4.26Å; L344-D349 HydrophobicContact CB-CB 4.44Å; L344-D349 HydrophobicContact CD2-CB 3.96Å; L344-D349 CarbonylContact O-C 3.59Å; L344-D349 WeakPolarHBondContact O-CA 3.39Å; L344-D349 PolarHBondContact O-N 2.61Å; L344-W356 HydrophobicContact CB-CB 4.29Å; L344-W356 HydrophobicContact CB-CD2 3.77Å; L344-W356 HydrophobicContact CB-CG 3.61Å; L344-W356 HydrophobicContact CD1-CD2 3.57Å; L344-W356 HydrophobicContact CD1-CE3 3.57Å; L344-W356 HydrophobicContact CD1-CG 4.32Å; L344-W356 HydrophobicContact CD1-CH2 3.68Å; L344-W356 HydrophobicContact CD1-CZ2 3.67Å; L344-W356 HydrophobicContact CD1-CZ3 3.63Å; L344-W356 HydrophobicContact CD2-CZ2 4.37Å; L344-W356 HydrophobicContact CG-CD2 4.25Å; L344-W356 HydrophobicContact CG-CZ2 4.47Å
345	A	98.6	Very high	98.2	Very high	2 Å²	2	70.3 Å²	70.3	2%	0.017	33%	0.331	C	S	.	.	I	π-helix	trans	-66.4	-37.2	-177.9	0	0	0	0	0	113.7	C341 E342 K353 W356 R357	C341-A345 VanDerWaalsContact O-CB 3.23Å; C341-A345 WeakPolarHBondContact O-CB 3.21Å; C341-A345 PolarHBondContact O-N 2.99Å; E342-A345 PolarHBondContact O-N 3.25Å; A345-K353 HydrophobicContact CB-CG 3.97Å; A345-K353 WeakPolarHBondContact O-CG 3.36Å; A345-W356 HydrophobicContact CB-CB 3.94Å; A345-R357 HydrophobicContact CB-CG 4.33Å
346	K	98.3	Very high	98.3	Very high	142 Å²	142	66.4 Å²	66.4	62%	0.617	31%	0.309	S	S	*	.	I	π-helix	trans	-97.1	-29.4	-173	-75.6	-176.8	163.6	162.6	0	114.6	E342 L344 T350	E342-K346 HydrophobicContact CG-CD 4.03Å; E342-K346 WeakPolarHBondContact O-CB 3.4Å; E342-K346 PolarHBondContact O-N 2.82Å; E342-K346 VanDerWaalsContact OE1-CD 3.25Å; E342-K346 WeakPolarHBondContact OE1-CD 3.42Å; E342-K346 WeakPolarHBondContact OE1-CE 3.47Å; E342-K346 IonicContact OE1-NZ 2.8Å; E342-K346 PolarHBondContact OE1-NZ 3.31Å; L344-K346 PolarHBondContact O-N 3Å; K346-T350 WeakPolarHBondContact O-CG2 3.36Å
347	E	97.6	Very high	98.3	Very high	129 Å²	129	67 Å²	67	60%	0.603	31%	0.309	S	S	*	.	I	π-helix	trans	-130.9	-52.4	-170.2	-167.7	-170.1	140.4	0	0	113.3	I343	I343-E347 PolarHBondContact O-N 3.05Å
348	K	96.9	Very high	98.4	Very high	90 Å²	90	73.1 Å²	73.1	39%	0.391	33%	0.333	S	S	.	.	I	π-helix	trans	-91.7	-26.3	-162.5	-60.5	-62.8	-170.1	-160.9	0	115.4	I312 I343 L344	I312-K348 HydrophobicContact CD1-CB 4.32Å; I312-K348 HydrophobicContact CD1-CG 3.91Å; I343-K348 HydrophobicContact CG2-CB 4.37Å; I343-K348 HydrophobicContact CG2-CG 3.51Å; I343-K348 PolarHBondContact O-N 3.5Å; L344-K348 HydrophobicContact CD2-CB 4.26Å
349	D	98.2	Very high	98.4	Very high	16 Å²	16	72 Å²	72	9%	0.086	33%	0.328	C	S	.	.			trans	-147.6	53.2	-178.2	-171.3	21	0	0	0	111.3	P309 L344 I351 R352 W356	P309-D349 HydrophobicContact CB-CB 4.09Å; L344-D349 HydrophobicContact CB-CB 4.44Å; L344-D349 HydrophobicContact CD2-CB 3.96Å; L344-D349 CarbonylContact O-C 3.59Å; L344-D349 WeakPolarHBondContact O-CA 3.39Å; L344-D349 PolarHBondContact O-N 2.61Å; D349-I351 PolarHBondContact O-N 3.06Å; D349-I351 VanDerWaalsContact O-N 3.17Å; D349-I351 WeakPolarHBondContact OD1-CG2 3.39Å; D349-R352 CarbonylContact O-C 3.31Å; D349-R352 PolarHBondContact O-N 3.39Å; D349-R352 IonicContact OD1-NE 2.91Å; D349-R352 WeakPolarHBondContact OD2-CB 3.4Å; D349-R352 WeakPolarHBondContact OD2-CD 3.29Å; D349-R352 WeakPolarHBondContact OD2-CG 3.43Å; D349-R352 IonicContact OD2-CZ 2.59Å; D349-R352 IonicContact OD2-NE 3.66Å; D349-R352 PolarHBondContact OD2-NE 3.38Å; D349-R352 IonicContact OD2-NH1 3.34Å; D349-W356 PolarHBondContact OD2-NE1 2.98Å
350	T	98.3	Very high	98.4	Very high	83 Å²	83	66.5 Å²	66.5	51%	0.509	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-63.7	-23.3	-171.5	59	0	0	0	0	113.6	K346 R352 K353	K346-T350 WeakPolarHBondContact O-CG2 3.36Å; T350-R352 PolarHBondContact O-N 2.82Å; T350-K353 VanDerWaalsContact O-CB 3.26Å; T350-K353 WeakPolarHBondContact O-CB 3.36Å; T350-K353 PolarHBondContact O-N 2.83Å; T350-K353 VanDerWaalsContact O-N 3.12Å
351	I	98.4	Very high	98.4	Very high	155 Å²	155	72 Å²	72	80%	0.795	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.5	-29.7	173.1	-168.6	62.9	0	0	0	111.5	D349	D349-I351 PolarHBondContact O-N 3.06Å; D349-I351 VanDerWaalsContact O-N 3.17Å; D349-I351 WeakPolarHBondContact OD1-CG2 3.39Å
352	R	98.6	Very high	98.4	Very high	98 Å²	98	72.7 Å²	72.7	37%	0.37	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-101.8	22.1	176.1	-48.9	-174.5	-154.4	170.3	-8.5	112.4	E274 D349 T350 E354 Y355 W356	E274-R352 IonicContact OE1-CZ 3.54Å; E274-R352 IonicContact OE1-NH1 2.75Å; E274-R352 IonicContact OE1-NH2 3.8Å; E274-R352 PolarHBondContact OE1-NH2 2.92Å; D349-R352 CarbonylContact O-C 3.31Å; D349-R352 PolarHBondContact O-N 3.39Å; D349-R352 IonicContact OD1-NE 2.91Å; D349-R352 WeakPolarHBondContact OD2-CB 3.4Å; D349-R352 WeakPolarHBondContact OD2-CD 3.29Å; D349-R352 WeakPolarHBondContact OD2-CG 3.43Å; D349-R352 IonicContact OD2-CZ 2.59Å; D349-R352 IonicContact OD2-NE 3.66Å; D349-R352 PolarHBondContact OD2-NE 3.38Å; D349-R352 IonicContact OD2-NH1 3.34Å; T350-R352 PolarHBondContact O-N 2.82Å; R352-E354 VanDerWaalsContact C-N 3.29Å; R352-E354 PolarHBondContact O-N 2.93Å; R352-E354 VanDerWaalsContact O-N 3.15Å; R352-Y355 HydrophobicContact CB-CD1 4.49Å; R352-Y355 WeakPolarHBondContact O-CA 3.48Å; R352-Y355 WeakPolarHBondContact O-CB 3.48Å; R352-Y355 PolarHBondContact O-N 2.9Å; R352-W356 VanDerWaalsContact O-CD1 3.28Å; R352-W356 PolarHBondContact O-N 2.94Å
353	K	98.5	Very high	98.3	Very high	71 Å²	71	68.9 Å²	68.9	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-48.7	-46.2	-177.7	-176	-171.9	84	179.6	0	113.7	A345 T350 Y355 W356 R357	A345-K353 HydrophobicContact CB-CG 3.97Å; A345-K353 WeakPolarHBondContact O-CG 3.36Å; T350-K353 VanDerWaalsContact O-CB 3.26Å; T350-K353 WeakPolarHBondContact O-CB 3.36Å; T350-K353 PolarHBondContact O-N 2.83Å; T350-K353 VanDerWaalsContact O-N 3.12Å; K353-Y355 VanDerWaalsContact C-N 3.32Å; K353-Y355 PolarHBondContact O-N 3.2Å; K353-W356 PolarHBondContact O-N 3.09Å; K353-R357 VanDerWaalsContact CE-NH1 3.28Å; K353-R357 HydrophobicContact CG-CG 4.44Å; K353-R357 WeakPolarHBondContact O-CB 3.41Å; K353-R357 VanDerWaalsContact O-CG 3.26Å; K353-R357 WeakPolarHBondContact O-CG 3.34Å; K353-R357 PolarHBondContact O-N 3.24Å
354	E	98.7	Very high	98.2	Very high	107 Å²	107	70.8 Å²	70.8	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-69.1	-32.3	-178	-64.3	-53.5	140.3	0	0	112.4	R352 R357 Y358	R352-E354 VanDerWaalsContact C-N 3.29Å; R352-E354 PolarHBondContact O-N 2.93Å; R352-E354 VanDerWaalsContact O-N 3.15Å; E354-R357 IonicContact OE1-NH1 3.48Å; E354-R357 PolarHBondContact OE1-NH1 3.26Å; E354-Y358 WeakPolarHBondContact O-CB 3.18Å; E354-Y358 PolarHBondContact O-N 3.06Å
355	Y	98.8	Very high	98.1	Very high	103 Å²	103	74.2 Å²	74.2	40%	0.404	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-51.2	171.4	169	-99.1	0	0	0	110.9	R352 K353 R357 Y358 I359	R352-Y355 HydrophobicContact CB-CD1 4.49Å; R352-Y355 WeakPolarHBondContact O-CA 3.48Å; R352-Y355 WeakPolarHBondContact O-CB 3.48Å; R352-Y355 PolarHBondContact O-N 2.9Å; K353-Y355 VanDerWaalsContact C-N 3.32Å; K353-Y355 PolarHBondContact O-N 3.2Å; Y355-R357 VanDerWaalsContact C-N 3.32Å; Y355-R357 PolarHBondContact O-N 3.44Å; Y355-Y358 CarbonylContact O-C 3.21Å; Y355-Y358 WeakPolarHBondContact O-CA 3.17Å; Y355-Y358 VanDerWaalsContact O-CB 3.31Å; Y355-Y358 WeakPolarHBondContact O-CB 3.17Å; Y355-Y358 PolarHBondContact O-N 2.93Å; Y355-I359 HydrophobicContact CD1-CG1 4.35Å; Y355-I359 HydrophobicContact CD2-CG1 4.33Å; Y355-I359 HydrophobicContact CE1-CG1 3.89Å; Y355-I359 HydrophobicContact CE2-CD1 3.84Å; Y355-I359 HydrophobicContact CE2-CG1 3.88Å; Y355-I359 WeakPolarHBondContact O-CG1 3.47Å; Y355-I359 PolarHBondContact O-N 2.85Å
356	W	98.8	Very high	97.9	Very high	4 Å²	4	79.4 Å²	79.4	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-36.4	-179.4	-66.2	121.7	0	0	0	113.3	A313 V316 L344 A345 D349 R352 K353 Y358 I359 G360	A313-W356 HydrophobicContact CB-CH2 3.47Å; A313-W356 VanDerWaalsContact CB-CH2 3.47Å; A313-W356 HydrophobicContact CB-CZ2 3.78Å; V316-W356 HydrophobicContact CB-CZ3 4.4Å; V316-W356 HydrophobicContact CG1-CZ3 4.18Å; L344-W356 HydrophobicContact CB-CB 4.29Å; L344-W356 HydrophobicContact CB-CD2 3.77Å; L344-W356 HydrophobicContact CB-CG 3.61Å; L344-W356 HydrophobicContact CD1-CD2 3.57Å; L344-W356 HydrophobicContact CD1-CE3 3.57Å; L344-W356 HydrophobicContact CD1-CG 4.32Å; L344-W356 HydrophobicContact CD1-CH2 3.68Å; L344-W356 HydrophobicContact CD1-CZ2 3.67Å; L344-W356 HydrophobicContact CD1-CZ3 3.63Å; L344-W356 HydrophobicContact CD2-CZ2 4.37Å; L344-W356 HydrophobicContact CG-CD2 4.25Å; L344-W356 HydrophobicContact CG-CZ2 4.47Å; A345-W356 HydrophobicContact CB-CB 3.94Å; D349-W356 PolarHBondContact OD2-NE1 2.98Å; R352-W356 VanDerWaalsContact O-CD1 3.28Å; R352-W356 PolarHBondContact O-N 2.94Å; K353-W356 PolarHBondContact O-N 3.09Å; W356-Y358 VanDerWaalsContact C-N 3.33Å; W356-Y358 PolarHBondContact O-N 3.23Å; W356-I359 HydrophobicContact CE3-CG1 4.44Å; W356-I359 PolarHBondContact O-N 2.94Å; W356-G360 PolarHBondContact O-N 2.74Å
357	R	98.6	Very high	97.7	Very high	95 Å²	95	73.5 Å²	73.5	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-37.1	170.9	-72.7	173.8	170.6	-166.8	-10.4	112.5	A345 K353 E354 Y355 R361	A345-R357 HydrophobicContact CB-CG 4.33Å; K353-R357 VanDerWaalsContact CE-NH1 3.28Å; K353-R357 HydrophobicContact CG-CG 4.44Å; K353-R357 WeakPolarHBondContact O-CB 3.41Å; K353-R357 VanDerWaalsContact O-CG 3.26Å; K353-R357 WeakPolarHBondContact O-CG 3.34Å; K353-R357 PolarHBondContact O-N 3.24Å; E354-R357 IonicContact OE1-NH1 3.48Å; E354-R357 PolarHBondContact OE1-NH1 3.26Å; Y355-R357 VanDerWaalsContact C-N 3.32Å; Y355-R357 PolarHBondContact O-N 3.44Å; R357-R361 WeakPolarHBondContact O-CG 3.47Å; R357-R361 PolarHBondContact O-N 3.27Å; R357-R361 VanDerWaalsContact O-N 3.12Å; R357-R361 PolarHBondContact O-NH1 3.32Å
358	Y	98.7	Very high	97.2	Very high	127 Å²	127	68.8 Å²	68.8	50%	0.498	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-45	175.2	162.2	-96.8	0	0	0	111.7	E354 Y355 W356 R361 S362	E354-Y358 WeakPolarHBondContact O-CB 3.18Å; E354-Y358 PolarHBondContact O-N 3.06Å; Y355-Y358 CarbonylContact O-C 3.21Å; Y355-Y358 WeakPolarHBondContact O-CA 3.17Å; Y355-Y358 VanDerWaalsContact O-CB 3.31Å; Y355-Y358 WeakPolarHBondContact O-CB 3.17Å; Y355-Y358 PolarHBondContact O-N 2.93Å; W356-Y358 VanDerWaalsContact C-N 3.33Å; W356-Y358 PolarHBondContact O-N 3.23Å; Y358-R361 PolarHBondContact O-N 3.27Å; Y358-S362 WeakPolarHBondContact CE2-OG 3.49Å; Y358-S362 WeakPolarHBondContact O-CB 3.47Å; Y358-S362 PolarHBondContact O-N 3.19Å; Y358-S362 PolarHBondContact O-OG 2.94Å
359	I	98.6	Very high	95.9	Very high	12 Å²	12	67.9 Å²	67.9	6%	0.062	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-48.8	175.5	-63.4	-59.5	0	0	0	110.1	V316 Y355 W356 R361 S362 L363	V316-I359 HydrophobicContact CG1-CG2 3.99Å; Y355-I359 HydrophobicContact CD1-CG1 4.35Å; Y355-I359 HydrophobicContact CD2-CG1 4.33Å; Y355-I359 HydrophobicContact CE1-CG1 3.89Å; Y355-I359 HydrophobicContact CE2-CD1 3.84Å; Y355-I359 HydrophobicContact CE2-CG1 3.88Å; Y355-I359 WeakPolarHBondContact O-CG1 3.47Å; Y355-I359 PolarHBondContact O-N 2.85Å; W356-I359 HydrophobicContact CE3-CG1 4.44Å; W356-I359 PolarHBondContact O-N 2.94Å; I359-R361 PolarHBondContact O-N 3.19Å; I359-S362 WeakPolarHBondContact O-CB 3.28Å; I359-S362 PolarHBondContact O-N 3.13Å; I359-L363 HydrophobicContact CG2-CD1 3.97Å; I359-L363 HydrophobicContact CG2-CG 4.26Å; I359-L363 WeakPolarHBondContact O-CG 3.5Å; I359-L363 PolarHBondContact O-N 3.43Å
360	G	98.4	Very high	94.2	Very high	8 Å²	8	74.6 Å²	74.6	8%	0.082	35%	0.353	C	S	.	.	H	α-helix	trans	-56.1	-45.5	177.4	0	0	0	0	0	113.4	L338 W356 S362 L363 Q364	L338-G360 VanDerWaalsContact CD2-O 3.25Å; L338-G360 WeakPolarHBondContact CD2-O 3.41Å; W356-G360 PolarHBondContact O-N 2.74Å; G360-S362 VanDerWaalsContact C-N 3.32Å; G360-S362 PolarHBondContact O-N 3.16Å; G360-L363 PolarHBondContact O-N 3.12Å; G360-Q364 WeakPolarHBondContact O-CG 3.43Å; G360-Q364 PolarHBondContact O-N 3.26Å; G360-Q364 VanDerWaalsContact O-N 3.1Å
361	R	98.3	Very high	92	Very high	132 Å²	132	74.6 Å²	74.6	50%	0.498	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-36.6	174.7	-72.3	-171.7	-57.3	-88.9	3.2	112.9	R357 Y358 I359 S365	R357-R361 WeakPolarHBondContact O-CG 3.47Å; R357-R361 PolarHBondContact O-N 3.27Å; R357-R361 VanDerWaalsContact O-N 3.12Å; R357-R361 PolarHBondContact O-NH1 3.32Å; Y358-R361 PolarHBondContact O-N 3.27Å; I359-R361 PolarHBondContact O-N 3.19Å; R361-S365 WeakPolarHBondContact O-CB 3.43Å; R361-S365 PolarHBondContact O-N 3.23Å
362	S	98.1	Very high	89.8	Confident	19 Å²	19	71.7 Å²	71.7	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-70.2	-40.8	-179.6	-57.6	0	0	0	0	111.6	Y358 I359 G360 S365 K366	Y358-S362 WeakPolarHBondContact CE2-OG 3.49Å; Y358-S362 WeakPolarHBondContact O-CB 3.47Å; Y358-S362 PolarHBondContact O-N 3.19Å; Y358-S362 PolarHBondContact O-OG 2.94Å; I359-S362 WeakPolarHBondContact O-CB 3.28Å; I359-S362 PolarHBondContact O-N 3.13Å; G360-S362 VanDerWaalsContact C-N 3.32Å; G360-S362 PolarHBondContact O-N 3.16Å; S362-S365 PolarHBondContact O-N 2.72Å; S362-S365 PolarHBondContact O-OG 3.48Å; S362-S365 VanDerWaalsContact O-OG 3.1Å; S362-K366 WeakPolarHBondContact O-CB 3.21Å; S362-K366 WeakPolarHBondContact O-CG 3.3Å; S362-K366 PolarHBondContact O-N 2.88Å; S362-K366 VanDerWaalsContact O-N 3.1Å
363	L	97.6	Very high	87.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-44.6	174.5	-69.2	173.7	0	0	0	111.4	E320 L323 L334 A337 L338 I359 G360 H367	E320-L363 HydrophobicContact CB-CD2 4.04Å; E320-L363 HydrophobicContact CG-CD2 3.97Å; L323-L363 HydrophobicContact CD1-CD2 4.06Å; L334-L363 HydrophobicContact CD1-CB 3.81Å; A337-L363 HydrophobicContact CB-CD1 3.8Å; L338-L363 HydrophobicContact CD2-CB 4.32Å; I359-L363 HydrophobicContact CG2-CD1 3.97Å; I359-L363 HydrophobicContact CG2-CG 4.26Å; I359-L363 WeakPolarHBondContact O-CG 3.5Å; I359-L363 PolarHBondContact O-N 3.43Å; G360-L363 PolarHBondContact O-N 3.12Å; L363-H367 WeakPolarHBondContact O-CB 3.07Å; L363-H367 PolarHBondContact O-CD2 2.98Å; L363-H367 PolarHBondContact O-N 2.9Å
364	Q	96	Very high	84.7	Confident	93 Å²	93	74.5 Å²	74.5	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-49.9	174.7	-74.5	173.1	-29.7	0	0	111.6	L338 G360 K366 H367 S368	L338-Q364 HydrophobicContact CD1-CG 3.69Å; L338-Q364 HydrophobicContact CD2-CG 3.8Å; L338-Q364 HydrophobicContact CG-CG 4.4Å; G360-Q364 WeakPolarHBondContact O-CG 3.43Å; G360-Q364 PolarHBondContact O-N 3.26Å; G360-Q364 VanDerWaalsContact O-N 3.1Å; Q364-K366 VanDerWaalsContact C-N 3.31Å; Q364-K366 PolarHBondContact O-N 3.32Å; Q364-H367 PolarHBondContact O-N 3.29Å; Q364-S368 WeakPolarHBondContact O-CB 3.14Å; Q364-S368 PolarHBondContact O-N 3.41Å; Q364-S368 PolarHBondContact O-OG 2.89Å
365	S	95.5	Very high	82.1	Confident	72 Å²	72	74.4 Å²	74.4	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-37.2	-175.6	76.4	0	0	0	0	112.9	R361 S362 N371	R361-S365 WeakPolarHBondContact O-CB 3.43Å; R361-S365 PolarHBondContact O-N 3.23Å; S362-S365 PolarHBondContact O-N 2.72Å; S362-S365 PolarHBondContact O-OG 3.48Å; S362-S365 VanDerWaalsContact O-OG 3.1Å; S365-N371 PolarHBondContact O-ND2 2.91Å
366	K	94.6	Very high	79.3	Confident	112 Å²	112	76 Å²	76	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-80	-35.9	-179.2	-70.2	178.4	178.9	178.9	0	113.4	E320 E324 S362 Q364	E320-K366 IonicContact OE1-NZ 3.76Å; E324-K366 IonicContact OE1-NZ 2.68Å; E324-K366 PolarHBondContact OE1-NZ 2.91Å; S362-K366 WeakPolarHBondContact O-CB 3.21Å; S362-K366 WeakPolarHBondContact O-CG 3.3Å; S362-K366 PolarHBondContact O-N 2.88Å; S362-K366 VanDerWaalsContact O-N 3.1Å; Q364-K366 VanDerWaalsContact C-N 3.31Å; Q364-K366 PolarHBondContact O-N 3.32Å
367	H	93.7	Very high	76.7	Confident	17 Å²	17	81.7 Å²	81.7	8%	0.079	42%	0.42	C	S	.	.	H	α-helix	trans	-121.4	-9.7	-162.6	-55.3	-65	0	0	0	115.4	L323 K330 L334 L363 Q364 T369	L323-H367 HydrophobicContact CD2-CB 4.42Å; K330-H367 WeakPolarHBondContact CE-O 3.34Å; K330-H367 PolarHBondContact NZ-O 3.44Å; L334-H367 HydrophobicContact CD1-CB 4.44Å; L334-H367 HydrophobicContact CD2-CB 4.35Å; L363-H367 WeakPolarHBondContact O-CB 3.07Å; L363-H367 PolarHBondContact O-CD2 2.98Å; L363-H367 PolarHBondContact O-N 2.9Å; Q364-H367 PolarHBondContact O-N 3.29Å; H367-T369 PolarHBondContact O-N 2.7Å
368	S	87	Confident	74	Confident	31 Å²	31	85.8 Å²	85.8	22%	0.217	44%	0.443	C	S	.	.			trans	-63.6	131.6	174.6	-69.4	0	0	0	0	111.7	Q364 E370 N371	Q364-S368 WeakPolarHBondContact O-CB 3.14Å; Q364-S368 PolarHBondContact O-N 3.41Å; Q364-S368 PolarHBondContact O-OG 2.89Å; S368-E370 PolarHBondContact O-N 2.96Å; S368-E370 VanDerWaalsContact O-N 3.16Å; S368-N371 PolarHBondContact O-N 3.32Å
369	T	71.4	Confident	71	Confident	70 Å²	70	91.9 Å²	91.9	43%	0.429	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-16	-179.6	42.6	0	0	0	0	114.5	H367 N371 D372 S373	H367-T369 PolarHBondContact O-N 2.7Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.21Å; T369-D372 PolarHBondContact O-N 3.28Å; T369-S373 PolarHBondContact O-OG 3.47Å
370	E	62	Low	69.6	Low	157 Å²	157	95.9 Å²	95.9	73%	0.734	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-29.3	174.7	-68.7	-169.4	162.8	0	0	112.7	S368 S373	S368-E370 PolarHBondContact O-N 2.96Å; S368-E370 VanDerWaalsContact O-N 3.16Å; E370-S373 WeakPolarHBondContact O-CB 3.24Å; E370-S373 PolarHBondContact O-N 3.12Å
371	N	51.8	Low	68.1	Low	84 Å²	84	100.5 Å²	100.5	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-76.2	-31.3	178.4	-80	-16.5	0	0	0	113	S365 S368 T369 S373 Q374	S365-N371 PolarHBondContact O-ND2 2.91Å; S368-N371 PolarHBondContact O-N 3.32Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.21Å; N371-S373 PolarHBondContact O-N 3.46Å; N371-Q374 PolarHBondContact O-N 3.32Å
372	D	52.4	Low	66.4	Low	93 Å²	93	98.7 Å²	98.7	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-68.4	-22.5	174.6	-73	-33.7	0	0	0	112.1	K330 T369	K330-D372 IonicContact NZ-OD2 3.82Å; T369-D372 PolarHBondContact O-N 3.28Å
373	S	46.3	Very low	64.5	Low	73 Å²	73	103.4 Å²	103.4	51%	0.51	54%	0.543	S	S	.	.	H	α-helix	trans	-77	-22.9	-177.9	-51.9	0	0	0	0	113.5	T369 E370 N371 V377	T369-S373 PolarHBondContact O-OG 3.47Å; E370-S373 WeakPolarHBondContact O-CB 3.24Å; E370-S373 PolarHBondContact O-N 3.12Å; N371-S373 PolarHBondContact O-N 3.46Å; S373-V377 WeakPolarHBondContact O-CG2 3.47Å
374	Q	44.7	Very low	62.5	Low	156 Å²	156	109.9 Å²	109.9	73%	0.729	58%	0.576	S	S	*	*	H	α-helix	trans	-82.9	-20.7	179.6	-70.3	-170.3	-1.3	0	0	113.4	N371	N371-Q374 PolarHBondContact O-N 3.32Å
375	T	42.9	Very low	60.2	Low	105 Å²	105	111 Å²	111	64%	0.644	59%	0.586	S	S	*	*	H	α-helix	trans	-84.6	-22.6	-179.7	-8.8	0	0	0	0	113.5
376	N	40.9	Very low	57.7	Low	136 Å²	136	113.8 Å²	113.8	73%	0.727	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	4.7	-177.2	-84.4	-20.5	0	0	0	115.2
377	V	44.1	Very low	54.9	Low	123 Å²	123	113.9 Å²	113.9	75%	0.745	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	7.8	177.9	-170.2	0	0	0	0	112.1	S373	S373-V377 WeakPolarHBondContact O-CG2 3.47Å
378	Q	40.9	Very low	51.6	Low	182 Å²	182	122 Å²	122	85%	0.85	64%	0.643	S	S	*	*			trans	-120.7	34.7	176.2	-74.1	-169.8	-0.3	0	0	114.4
379	Q	35.3	Very low	48.4	Very low	254 Å²	254	130.3 Å²	130.3	100%	1.187	68%	0.682	S	S	*	*			trans	-114.4	0	163.1	-80.3	-169.8	-1	0	0	112.2

Retrieved 379 of 379 residues in 3371.3 ms (Link to these results)

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