A0A087X3L0_POEFO Loading...

Mitoguardin 1

AlphaFold DB , UniProt , Accession A0A087X3L0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	35.6	Very low	240 Å²	240	156.9 Å²	156.9	100%	1.182	85%	0.854	S	S	*	*				0	125.7	0	-75.8	175.3	167.6	0	0	107.4
2	T	27.4	Very low	36.3	Very low	139 Å²	139	150.6 Å²	150.6	85%	0.853	83%	0.83	S	S	*	*			trans	-152.3	106.1	180	42.4	0	0	0	0	108.4
3	H	33.3	Very low	36.7	Very low	181 Å²	181	149.2 Å²	149.2	84%	0.838	82%	0.82	S	S	*	*			trans	-78.6	160.7	149.4	-74.3	-110	0	0	0	106.4
4	E	30.4	Very low	36.8	Very low	188 Å²	188	150.4 Å²	150.4	88%	0.879	81%	0.813	S	S	*	*			cis	-142.2	172.1	36.4	-72.6	-177.7	146	0	0	113.8
5	T	36.7	Very low	37	Very low	125 Å²	125	144.2 Å²	144.2	77%	0.767	79%	0.79	S	S	*	*			trans	-129.1	124.9	-177.3	50.4	0	0	0	0	110.6
6	L	36.5	Very low	37	Very low	165 Å²	165	139.3 Å²	139.3	86%	0.864	77%	0.774	S	S	*	*			trans	174.4	100.4	148.9	-100.3	159.3	0	0	0	111.3
7	T	35.6	Very low	37.1	Very low	149 Å²	149	134.8 Å²	134.8	91%	0.914	76%	0.76	S	S	*	*			trans	-177.4	77.8	158.7	13.2	0	0	0	0	111.4
8	S	38.9	Very low	37.3	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	76%	0.759	S	S	*	*			trans	-145.2	10.1	-178.9	57.1	0	0	0	0	116
9	S	39.2	Very low	37.3	Very low	93 Å²	93	139.7 Å²	139.7	65%	0.65	76%	0.763	S	S	*	*	S	Bend	trans	-102.5	-17.3	-172.1	52.4	0	0	0	0	116.3
10	Q	41.8	Very low	37.2	Very low	173 Å²	173	141.6 Å²	141.6	81%	0.808	77%	0.768	S	S	*	*	S	Bend	trans	-88.4	-12.4	-172.3	-69.8	-160.6	-1.2	0	0	116
11	L	37.6	Very low	37.5	Very low	155 Å²	155	139.8 Å²	139.8	81%	0.812	76%	0.761	S	S	*	*	H	α-helix	trans	-87.2	-28	-174.5	-80.9	164.6	0	0	0	114.4
12	S	44.3	Very low	37.5	Very low	81 Å²	81	136.1 Å²	136.1	57%	0.566	75%	0.747	S	S	*	*	H	α-helix	trans	-72.3	-35.4	-179	55.8	0	0	0	0	113.2	A15 A16	S12-A15 PolarHBondContact O-N 3.27Å; S12-A16 PolarHBondContact O-N 3.31Å
13	L	41	Very low	38	Very low	133 Å²	133	135.7 Å²	135.7	70%	0.696	74%	0.738	S	S	*	*	H	α-helix	trans	-69.6	-38.7	-172.8	-141.2	163.6	0	0	0	112.1	A16 A17	L13-A16 PolarHBondContact O-N 2.98Å; L13-A17 PolarHBondContact O-N 3.03Å; L13-A17 VanDerWaalsContact O-N 3.12Å
14	K	38.5	Very low	38	Very low	166 Å²	166	131 Å²	131	72%	0.722	72%	0.724	S	S	*	*	H	α-helix	trans	-65.2	-39.4	170.5	-80.9	-176.5	173.8	177.7	0	112.5	A16 A17 L18	K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A17 PolarHBondContact O-N 3.36Å; K14-L18 WeakPolarHBondContact O-CG 2.94Å; K14-L18 PolarHBondContact O-N 3.41Å
15	A	39.5	Very low	38.4	Very low	57 Å²	57	129.6 Å²	129.6	47%	0.471	72%	0.722	S	S	.	*	H	α-helix	trans	-67.9	-32.6	177.8	0	0	0	0	0	112.8	S12	S12-A15 PolarHBondContact O-N 3.27Å
16	A	36.5	Very low	38.4	Very low	65 Å²	65	127.3 Å²	127.3	54%	0.537	71%	0.711	S	S	.	*	H	α-helix	trans	-69.5	-46.5	174	0	0	0	0	0	112.1	S12 L13 K14 L18 R19	S12-A16 PolarHBondContact O-N 3.31Å; L13-A16 PolarHBondContact O-N 2.98Å; K14-A16 VanDerWaalsContact C-N 3.34Å; A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 PolarHBondContact O-N 3.09Å; A16-R19 PolarHBondContact O-N 2.6Å; A16-R19 VanDerWaalsContact O-N 3.09Å
17	A	40.1	Very low	38.7	Very low	64 Å²	64	123.4 Å²	123.4	53%	0.529	69%	0.694	S	S	.	*	H	α-helix	trans	-59.8	-37.1	177.9	0	0	0	0	0	112.6	L13 K14 R19 M20	L13-A17 PolarHBondContact O-N 3.03Å; L13-A17 VanDerWaalsContact O-N 3.12Å; K14-A17 PolarHBondContact O-N 3.36Å; A17-R19 PolarHBondContact O-N 2.95Å; A17-M20 PolarHBondContact O-N 3.24Å
18	L	39.3	Very low	38.4	Very low	144 Å²	144	125 Å²	125	75%	0.754	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	2.8	177.6	-71.6	169.2	0	0	0	114.8	K14 A16	K14-L18 WeakPolarHBondContact O-CG 2.94Å; K14-L18 PolarHBondContact O-N 3.41Å; A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 PolarHBondContact O-N 3.09Å
19	R	38.3	Very low	38.2	Very low	219 Å²	219	122.9 Å²	122.9	83%	0.826	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	9.6	171.6	-76.3	-160.6	177.1	-160.1	1	114.5	A16 A17	A16-R19 PolarHBondContact O-N 2.6Å; A16-R19 VanDerWaalsContact O-N 3.09Å; A17-R19 PolarHBondContact O-N 2.95Å
20	M	35.7	Very low	37.8	Very low	177 Å²	177	122.7 Å²	122.7	87%	0.872	67%	0.669	S	S	*	*	S	Bend	trans	-102.4	0.5	173.6	-88.5	-167.8	151	0	0	114.5	A17	A17-M20 PolarHBondContact O-N 3.24Å
21	V	42.8	Very low	37.6	Very low	103 Å²	103	121.2 Å²	121.2	62%	0.624	67%	0.665	S	S	*	*			trans	-138.6	99.5	175	-170.1	0	0	0	0	109.3	L23	V21-L23 HydrophobicContact CG1-CB 4.25Å; V21-L23 HydrophobicContact CG1-CD1 4.37Å; V21-L23 PolarHBondContact O-N 3.5Å
22	D	35.2	Very low	37.3	Very low	163 Å²	163	118.9 Å²	118.9	87%	0.872	66%	0.658	S	S	*	*			trans	-73.8	74.6	173.9	-75.7	-50.5	0	0	0	110.9
23	L	36.2	Very low	36.7	Very low	130 Å²	130	123.3 Å²	123.3	68%	0.681	67%	0.67	S	S	*	*			trans	-108.2	123.6	172.7	-131.2	75.3	0	0	0	110.6	V21 L25	V21-L23 HydrophobicContact CG1-CB 4.25Å; V21-L23 HydrophobicContact CG1-CD1 4.37Å; V21-L23 PolarHBondContact O-N 3.5Å; L23-L25 PolarHBondContact O-N 2.9Å
24	P	34.1	Very low	36.2	Very low	83 Å²	83	122.1 Å²	122.1	54%	0.539	67%	0.667	S	S	.	*			trans	-61.1	126.4	179.9	-26.4	35.6	0	0	0	113.4	S26 V27	P24-S26 PolarHBondContact O-N 3.15Å; P24-V27 PolarHBondContact O-N 3.4Å
25	L	38.2	Very low	36.1	Very low	158 Å²	158	120.2 Å²	120.2	83%	0.827	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-21.5	179.4	-69.4	169.3	0	0	0	113.9	L23 V27 Y28	L23-L25 PolarHBondContact O-N 2.9Å; L25-V27 PolarHBondContact O-N 3.13Å; L25-Y28 PolarHBondContact O-N 3.22Å
26	S	38.1	Very low	35.7	Very low	78 Å²	78	123 Å²	123	55%	0.545	68%	0.681	S	S	.	*	H	α-helix	trans	-60.2	-28.5	177.1	47.8	0	0	0	0	114	P24 Y28 S29 S30	P24-S26 PolarHBondContact O-N 3.15Å; S26-Y28 VanDerWaalsContact C-N 3.31Å; S26-Y28 PolarHBondContact O-N 3.36Å; S26-S29 PolarHBondContact O-OG 2.86Å; S26-S30 PolarHBondContact O-OG 2.84Å
27	V	41.2	Very low	35.3	Very low	82 Å²	82	124.5 Å²	124.5	50%	0.497	69%	0.687	S	S	.	*	H	α-helix	trans	-68.9	-32.4	178.5	-175.3	0	0	0	0	111.3	P24 L25	P24-V27 PolarHBondContact O-N 3.4Å; L25-V27 PolarHBondContact O-N 3.13Å
28	Y	30.5	Very low	34.9	Very low	182 Å²	182	126.3 Å²	126.3	71%	0.714	69%	0.692	S	S	*	*	H	α-helix	trans	-71.8	-37.6	-176.2	-164.5	-98.6	0	0	0	112.4	L25 S26 S30	L25-Y28 PolarHBondContact O-N 3.22Å; S26-Y28 VanDerWaalsContact C-N 3.31Å; S26-Y28 PolarHBondContact O-N 3.36Å; Y28-S30 VanDerWaalsContact C-N 3.29Å; Y28-S30 PolarHBondContact O-N 3.2Å
29	S	34.1	Very low	34.3	Very low	74 Å²	74	122.6 Å²	122.6	52%	0.517	69%	0.689	S	S	.	*	H	α-helix	trans	-70.6	-18.7	179.9	43.5	0	0	0	0	114.7	S26 T32	S26-S29 PolarHBondContact O-OG 2.86Å; S29-T32 PolarHBondContact O-OG1 3.38Å
30	S	31	Very low	34.1	Very low	90 Å²	90	115.6 Å²	115.6	63%	0.629	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-15.6	-178.8	-60.8	0	0	0	0	114	S26 Y28	S26-S30 PolarHBondContact O-OG 2.84Å; Y28-S30 VanDerWaalsContact C-N 3.29Å; Y28-S30 PolarHBondContact O-N 3.2Å
31	L	37.2	Very low	34.1	Very low	142 Å²	142	114.5 Å²	114.5	74%	0.743	66%	0.66	S	S	*	*	S	Bend	trans	-92.2	-13.4	-177.3	-81.6	163.3	0	0	0	114.1
32	T	32.1	Very low	33.7	Very low	106 Å²	106	118.7 Å²	118.7	65%	0.65	67%	0.67	S	S	*	*	S	Bend	trans	-90.2	0.4	-176	50.9	0	0	0	0	114.4	S29	S29-T32 PolarHBondContact O-OG1 3.38Å
33	Q	31.5	Very low	33.5	Very low	174 Å²	174	116.3 Å²	116.3	81%	0.813	66%	0.657	S	S	*	*			trans	-130.1	53.1	-168.9	-154.4	172.1	20	0	0	114.2
34	V	30.3	Very low	33.3	Very low	107 Å²	107	112.9 Å²	112.9	65%	0.648	64%	0.641	S	S	*	*			trans	-125.9	106.2	164.5	-167.9	0	0	0	0	109.7	I36	V34-I36 HydrophobicContact CB-CG1 4.35Å; V34-I36 HydrophobicContact CG1-CD1 4.19Å; V34-I36 HydrophobicContact CG1-CG1 3.69Å; V34-I36 PolarHBondContact O-N 3.34Å
35	S	37.5	Very low	33.3	Very low	126 Å²	126	111.7 Å²	111.7	88%	0.881	64%	0.638	S	S	*	*			trans	-81.6	103.4	173.1	54.1	0	0	0	0	110.1
36	I	30.8	Very low	33	Very low	116 Å²	116	104.8 Å²	104.8	60%	0.595	60%	0.604	S	S	*	*			trans	-95.3	132.1	-172.6	-56.6	-179.8	0	0	0	111.5	V34 T40	V34-I36 HydrophobicContact CB-CG1 4.35Å; V34-I36 HydrophobicContact CG1-CD1 4.19Å; V34-I36 HydrophobicContact CG1-CG1 3.69Å; V34-I36 PolarHBondContact O-N 3.34Å; I36-T40 HydrophobicContact CG2-CG2 3.44Å; I36-T40 VanDerWaalsContact CG2-CG2 3.44Å; I36-T40 VanDerWaalsContact CG2-OG1 3.22Å; I36-T40 WeakPolarHBondContact CG2-OG1 3.34Å
37	S	26.9	Very low	32.8	Very low	97 Å²	97	102 Å²	102	68%	0.678	58%	0.584	S	S	*	*			trans	-70.3	161.9	-176	-172.8	0	0	0	0	113.9	G39 T40	S37-G39 PolarHBondContact O-N 3.4Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 2.9Å
38	T	32.4	Very low	32.5	Very low	102 Å²	102	98.9 Å²	98.9	63%	0.626	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-56.1	-20.3	-166.5	-35.4	0	0	0	0	115.7	K41	T38-K41 HydrophobicContact CG2-CD 4.24Å
39	G	26.4	Very low	33	Very low	66 Å²	66	90.4 Å²	90.4	68%	0.68	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-69.3	-30.5	-177.7	0	0	0	0	0	115.3	S37 K41	S37-G39 PolarHBondContact O-N 3.4Å; G39-K41 PolarHBondContact O-N 3.38Å; G39-K41 VanDerWaalsContact O-N 3.14Å
40	T	33.6	Very low	33	Very low	71 Å²	71	87.1 Å²	87.1	44%	0.436	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-72.6	-8.1	-175.5	57.5	0	0	0	0	114.2	I36 S37 K42 L43	I36-T40 HydrophobicContact CG2-CG2 3.44Å; I36-T40 VanDerWaalsContact CG2-CG2 3.44Å; I36-T40 VanDerWaalsContact CG2-OG1 3.22Å; I36-T40 WeakPolarHBondContact CG2-OG1 3.34Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 2.9Å; T40-K42 PolarHBondContact O-N 3.11Å; T40-K42 VanDerWaalsContact O-N 3.12Å; T40-L43 PolarHBondContact O-N 2.85Å
41	K	36	Very low	33.1	Very low	154 Å²	154	83.1 Å²	83.1	67%	0.67	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-62	-19.4	-179.7	-66.7	-179.2	178.3	-179.3	0	114.1	T38 G39	T38-K41 HydrophobicContact CG2-CD 4.24Å; G39-K41 PolarHBondContact O-N 3.38Å; G39-K41 VanDerWaalsContact O-N 3.14Å
42	K	35.1	Very low	32.9	Very low	191 Å²	191	76.3 Å²	76.3	83%	0.83	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-92.7	-19.9	-179.7	-70	-166.2	173.8	-169.3	0	115.2	T40	T40-K42 PolarHBondContact O-N 3.11Å; T40-K42 VanDerWaalsContact O-N 3.12Å
43	L	30.1	Very low	33.3	Very low	113 Å²	113	72 Å²	72	59%	0.592	42%	0.42	S	S	*	.	S	Bend	trans	-98.6	10.3	178.8	-160.7	64.8	0	0	0	112.8	T40	T40-L43 PolarHBondContact O-N 2.85Å
44	V	32.2	Very low	33.7	Very low	59 Å²	59	64 Å²	64	36%	0.358	38%	0.382	S	S	.	.	S	Bend	trans	-132.1	32.8	177.4	-161.1	0	0	0	0	109.5	A46 K481	V44-A46 VanDerWaalsContact C-N 3.26Å; V44-A46 PolarHBondContact O-N 2.94Å; V44-K481 WeakPolarHBondContact O-CE 3.38Å; V44-K481 PolarHBondContact O-NZ 3.15Å
45	A	33.8	Very low	34.1	Very low	57 Å²	57	59.9 Å²	59.9	47%	0.471	36%	0.357	S	S	.	.	S	Bend	trans	-60.7	-27.3	169.9	0	0	0	0	0	112.7	K481	A45-K481 PolarHBondContact O-NZ 2.93Å
46	A	33.3	Very low	34.3	Very low	14 Å²	14	54.1 Å²	54.1	12%	0.116	32%	0.316	C	S	.	.				-150.1	49.3	-63.8	0	0	0	0	0	109.4	V44 D444	V44-A46 VanDerWaalsContact C-N 3.26Å; V44-A46 PolarHBondContact O-N 2.94Å; A46-D444 WeakPolarHBondContact CA-OD1 3.49Å; A46-D444 WeakPolarHBondContact CA-OD2 3.28Å; A46-D444 HydrophobicContact CB-CB 4.21Å; A46-D444 WeakPolarHBondContact CB-OD2 3.46Å; A46-D444 WeakPolarHBondContact O-CB 3.24Å
47	T	33.7	Very low	35	Very low	19 Å²	19	49 Å²	49	12%	0.117	29%	0.29	C	S	.	.			trans	-175.9	60.7	176.2	53.5	0	0	0	0	111.1	D444 L445	T47-D444 PolarHBondContact N-OD1 3.3Å; T47-D444 VanDerWaalsContact N-OD1 3.07Å; T47-L445 HydrophobicContact CG2-CD2 4.34Å
48	T	35.1	Very low	35.5	Very low	17 Å²	17	44.9 Å²	44.9	10%	0.104	26%	0.261	C	S	.	.			trans	-133.7	50.1	-172.5	44.4	0	0	0	0	116.8	S441 L478 F495 Y496	T48-S441 PolarHBondContact N-OG 2.67Å; T48-S441 PolarHBondContact O-OG 2.86Å; T48-L478 HydrophobicContact CG2-CD2 4.23Å; T48-F495 VanDerWaalsContact O-CZ 3.23Å; T48-F495 WeakPolarHBondContact O-CZ 3.4Å; T48-Y496 HydrophobicContact CG2-CE1 4.28Å
49	F	41	Very low	36	Very low	4 Å²	4	46 Å²	46	2%	0.018	25%	0.254	C	S	.	.			trans	-63.9	141.6	154.5	-73.1	-69	0	0	0	111.1	L438 S441 F442 L445 C499 I502 S503 L506	F49-L438 HydrophobicContact CD1-CD2 3.65Å; F49-L438 HydrophobicContact CE1-CB 4.24Å; F49-L438 HydrophobicContact CE1-CD2 3.74Å; F49-L438 WeakPolarHBondContact CE1-O 3.48Å; F49-L438 WeakPolarHBondContact CZ-O 3.12Å; F49-S441 VanDerWaalsContact CD2-CB 3.44Å; F49-S441 WeakPolarHBondContact CE2-O 3.33Å; F49-S441 PolarHBondContact N-OG 3.26Å; F49-S441 VanDerWaalsContact N-OG 3.14Å; F49-F442 HydrophobicContact CE1-CD1 4.06Å; F49-F442 HydrophobicContact CE1-CD2 4.29Å; F49-F442 AromaticContact CE1-CE1 3.71Å; F49-F442 HydrophobicContact CE1-CE1 3.71Å; F49-F442 HydrophobicContact CE1-CE2 4.01Å; F49-F442 HydrophobicContact CE1-CG 4.29Å; F49-F442 AromaticContact CE1-CZ 3.69Å; F49-F442 HydrophobicContact CE1-CZ 3.69Å; F49-F442 HydrophobicContact CE2-CD1 4Å; F49-F442 HydrophobicContact CE2-CE1 4.17Å; F49-F442 HydrophobicContact CZ-CB 4.24Å; F49-F442 AromaticContact CZ-CD1 3.24Å; F49-F442 HydrophobicContact CZ-CD1 3.24Å; F49-F442 HydrophobicContact CZ-CD2 4.02Å; F49-F442 AromaticContact CZ-CE1 3.29Å; F49-F442 HydrophobicContact CZ-CE1 3.29Å; F49-F442 HydrophobicContact CZ-CE2 4.1Å; F49-F442 AromaticContact CZ-CG 3.58Å; F49-F442 HydrophobicContact CZ-CG 3.58Å; F49-F442 AromaticContact CZ-CZ 3.75Å; F49-F442 HydrophobicContact CZ-CZ 3.75Å; F49-L445 HydrophobicContact CD2-CD1 3.89Å; F49-L445 HydrophobicContact CE2-CD1 3.73Å; F49-L445 HydrophobicContact CE2-CG 4.28Å; F49-C499 PolarHBondContact O-SG 3.08Å; F49-I502 WeakPolarHBondContact O-CG2 3.31Å; F49-S503 PolarHBondContact O-OG 2.7Å; F49-L506 HydrophobicContact CB-CD1 3.25Å; F49-L506 HydrophobicContact CD2-CD1 3.99Å; F49-L506 HydrophobicContact CG-CD1 3.7Å
50	G	33.8	Very low	37	Very low	4 Å²	4	47.5 Å²	47.5	4%	0.041	24%	0.24	C	C	.	.			cis	155.3	102.1	-12.2	0	0	0	0	0	113	L381	G50-L381 WeakPolarHBondContact O-CD1 3.4Å
51	T	32.8	Very low	37.5	Very low	6 Å²	6	46.5 Å²	46.5	4%	0.037	23%	0.229	C	C	.	.			trans	-153.4	-5.9	-165.5	31.9	0	0	0	0	115.3	L381 F395 F399 V498	T51-L381 HydrophobicContact CG2-CD1 3.46Å; T51-L381 VanDerWaalsContact CG2-CD1 3.46Å; T51-F395 HydrophobicContact CG2-CE2 3.52Å; T51-F395 HydrophobicContact CG2-CZ 3.59Å; T51-F399 HydrophobicContact CG2-CD2 3.62Å; T51-F399 HydrophobicContact CG2-CE2 3.72Å; T51-F399 WeakPolarHBondContact O-CE2 3.43Å; T51-V498 HydrophobicContact CG2-CG1 3.63Å; T51-V498 VanDerWaalsContact OG1-CG1 3.28Å; T51-V498 WeakPolarHBondContact OG1-CG1 3.2Å
52	I	33.1	Very low	37.7	Very low	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.			trans	-120	81	-145.4	-47.4	-154	0	0	0	112.2	L402 L406 I437 F491 F495 V498	I52-L402 HydrophobicContact CB-CD2 4.01Å; I52-L402 HydrophobicContact CD1-CD1 3.79Å; I52-L402 HydrophobicContact CD1-CD2 3.36Å; I52-L402 HydrophobicContact CD1-CG 4.14Å; I52-L402 HydrophobicContact CG1-CD1 4.5Å; I52-L402 HydrophobicContact CG1-CD2 3.42Å; I52-L402 VanDerWaalsContact CG1-CD2 3.42Å; I52-L402 HydrophobicContact CG2-CD1 3.68Å; I52-L402 HydrophobicContact CG2-CD2 3.81Å; I52-L402 HydrophobicContact CG2-CG 4.12Å; I52-L406 HydrophobicContact CG2-CD1 3.89Å; I52-L406 HydrophobicContact CG2-CD2 4.49Å; I52-I437 HydrophobicContact CB-CD1 4.13Å; I52-F491 HydrophobicContact CB-CE2 4.46Å; I52-F491 HydrophobicContact CB-CZ 4.27Å; I52-F491 HydrophobicContact CG2-CD2 4.28Å; I52-F491 HydrophobicContact CG2-CE2 3.33Å; I52-F491 HydrophobicContact CG2-CZ 3.57Å; I52-F495 HydrophobicContact CD1-CB 3.59Å; I52-F495 HydrophobicContact CD1-CD2 3.32Å; I52-F495 HydrophobicContact CD1-CE2 4.28Å; I52-F495 HydrophobicContact CD1-CG 3.8Å; I52-F495 HydrophobicContact CG1-CD2 3.91Å; I52-F495 HydrophobicContact CG1-CE2 4.43Å; I52-V498 HydrophobicContact CD1-CG2 4.41Å
53	S	40.7	Very low	38.1	Very low	15 Å²	15	45.1 Å²	45.1	11%	0.105	22%	0.221	C	C	.	.			trans	-133.6	-3.9	-149.7	-48.2	0	0	0	0	116.1	F429 V433	S53-F429 WeakPolarHBondContact O-CD2 3.48Å; S53-F429 WeakPolarHBondContact O-CE2 3.35Å; S53-V433 VanDerWaalsContact CA-CG2 3.41Å; S53-V433 VanDerWaalsContact CB-CG2 3.41Å; S53-V433 WeakPolarHBondContact OG-CG1 3.39Å
54	L	39.7	Very low	38.5	Very low	5 Å²	5	46.2 Å²	46.2	3%	0.026	22%	0.217	C	C	.	.	S	Bend		-133	-24.6	-129.6	-96.4	153.7	0	0	0	119.4	R370 L373 A374 I403	L54-R370 WeakPolarHBondContact CD2-O 3.44Å; L54-R370 WeakPolarHBondContact O-CD 3.42Å; L54-R370 WeakPolarHBondContact O-CG 3.44Å; L54-L373 HydrophobicContact CD1-CB 4.46Å; L54-L373 HydrophobicContact CD2-CB 3.16Å; L54-L373 HydrophobicContact CD2-CD1 4.24Å; L54-L373 HydrophobicContact CD2-CG 4.29Å; L54-L373 HydrophobicContact CG-CB 4.18Å; L54-A374 HydrophobicContact CB-CB 4.33Å; L54-A374 HydrophobicContact CD1-CB 3.66Å; L54-A374 HydrophobicContact CD2-CB 3.91Å; L54-A374 HydrophobicContact CG-CB 4.11Å; L54-I403 HydrophobicContact CB-CD1 3.79Å; L54-I403 HydrophobicContact CD1-CD1 4.39Å
55	L	37.4	Very low	38.6	Very low	21 Å²	21	52.5 Å²	52.5	11%	0.11	24%	0.24	C	C	.	.	S	Bend	trans	-114.8	-1.7	166.4	-67.4	154.6	0	0	0	111.4	L57 A58 I403 L406 E407	L55-L57 PolarHBondContact O-N 3.16Å; L55-A58 PolarHBondContact O-N 2.82Å; L55-I403 HydrophobicContact CD1-CG2 3.71Å; L55-I403 WeakPolarHBondContact CD1-O 3.19Å; L55-L406 HydrophobicContact CB-CB 3.79Å; L55-L406 WeakPolarHBondContact CB-O 3.34Å; L55-L406 HydrophobicContact CD1-CB 4.44Å; L55-E407 HydrophobicContact CD1-CB 3.88Å; L55-E407 HydrophobicContact CD1-CG 3.89Å; L55-E407 HydrophobicContact CD2-CG 4.31Å
56	L	42.8	Very low	38.7	Very low	6 Å²	6	53 Å²	53	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-3.2	-176.4	-86.1	179	0	0	0	117.3	L406 W412 T415 V432 F491	L56-L406 HydrophobicContact CD2-CD2 3.8Å; L56-L406 HydrophobicContact CG-CD1 4.27Å; L56-L406 HydrophobicContact CG-CD2 3.95Å; L56-W412 VanDerWaalsContact C-CZ2 3.46Å; L56-W412 HydrophobicContact CD2-CH2 4.22Å; L56-W412 HydrophobicContact CD2-CZ2 4.18Å; L56-W412 VanDerWaalsContact O-CZ2 3.31Å; L56-W412 WeakPolarHBondContact O-CZ2 3.44Å; L56-T415 HydrophobicContact CD2-CG2 4.25Å; L56-V432 HydrophobicContact CD1-CB 4.35Å; L56-V432 HydrophobicContact CD1-CG1 3.73Å; L56-V432 HydrophobicContact CD1-CG2 4.47Å; L56-F491 HydrophobicContact CD1-CE2 3.91Å; L56-F491 HydrophobicContact CD1-CZ 4.37Å; L56-F491 HydrophobicContact CD2-CD2 4.44Å; L56-F491 HydrophobicContact CD2-CE2 4.18Å; L56-F491 HydrophobicContact CG-CE2 4.42Å
57	L	45.9	Very low	38.8	Very low	8 Å²	8	62.8 Å²	62.8	4%	0.042	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-23	176.4	-80.6	97.6	0	0	0	115.5	L55 R59 R60 E361 L364	L55-L57 PolarHBondContact O-N 3.16Å; L57-R59 PolarHBondContact O-N 3.08Å; L57-R60 PolarHBondContact O-N 2.71Å; L57-E361 HydrophobicContact CD2-CG 3.77Å; L57-L364 HydrophobicContact CB-CB 4.16Å; L57-L364 HydrophobicContact CB-CD1 4.03Å; L57-L364 HydrophobicContact CD1-CD1 3.81Å; L57-L364 HydrophobicContact CG-CD1 4.39Å
58	A	36.7	Very low	38.8	Very low	10 Å²	10	71.3 Å²	71.3	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-48.1	-55.1	-171.2	0	0	0	0	0	114.7	L55 R370	L55-A58 PolarHBondContact O-N 2.82Å; A58-R370 VanDerWaalsContact CB-NH1 3.3Å
59	R	43.5	Very low	38.8	Very low	126 Å²	126	81 Å²	81	48%	0.475	36%	0.361	S	S	.	.	H	α-helix	trans	-84.8	-15.3	-167.3	-70	-179.5	172.9	-179.8	-1.9	113.1	L57 F61 Q62 E407	L57-R59 PolarHBondContact O-N 3.08Å; R59-F61 VanDerWaalsContact C-N 3.29Å; R59-F61 PolarHBondContact O-N 3.01Å; R59-Q62 PolarHBondContact O-N 3.17Å; R59-E407 PolarHBondContact NH1-O 3.36Å
60	R	46.4	Very low	38.2	Very low	98 Å²	98	83.8 Å²	83.8	37%	0.37	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-32	173.5	-144.9	-172.5	-155.9	-160.4	15.5	111.5	L57 R63 R64 E416	L57-R60 PolarHBondContact O-N 2.71Å; R60-R63 WeakPolarHBondContact O-CB 3.49Å; R60-R63 PolarHBondContact O-N 3.41Å; R60-R64 PolarHBondContact O-N 3.16Å; R60-E416 IonicContact CZ-OE1 3.68Å; R60-E416 IonicContact CZ-OE2 2.62Å; R60-E416 IonicContact NH2-OE1 2.67Å; R60-E416 PolarHBondContact NH2-OE1 3.3Å; R60-E416 IonicContact NH2-OE2 3.62Å; R60-E416 PolarHBondContact NH2-OE2 2.64Å
61	F	44.1	Very low	37.8	Very low	49 Å²	49	92.8 Å²	92.8	22%	0.215	43%	0.432	C	S	.	.	H	α-helix	trans	-80.1	-22.7	-179.5	-75.5	-82.3	0	0	0	114.7	R59 R63 R64 K65 E361	R59-F61 VanDerWaalsContact C-N 3.29Å; R59-F61 PolarHBondContact O-N 3.01Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R64 HydrophobicContact CD1-CB 4.27Å; F61-R64 PolarHBondContact O-N 2.9Å; F61-K65 WeakPolarHBondContact O-CB 3.4Å; F61-K65 PolarHBondContact O-N 3.32Å; F61-E361 HydrophobicContact CE2-CB 4.06Å; F61-E361 HydrophobicContact CE2-CG 4Å; F61-E361 HydrophobicContact CZ-CB 4.03Å; F61-E361 HydrophobicContact CZ-CG 3.94Å; F61-E361 WeakPolarHBondContact CZ-OE2 3.45Å
62	Q	41.4	Very low	37.4	Very low	150 Å²	150	97.3 Å²	97.3	70%	0.701	46%	0.464	S	S	*	.	H	α-helix	trans	-63	-39.9	163.6	-76.7	-177	-26.8	0	0	111.2	R59 G66	R59-Q62 PolarHBondContact O-N 3.17Å; Q62-G66 PolarHBondContact O-N 3.35Å
63	R	42.3	Very low	37.1	Very low	167 Å²	167	102.5 Å²	102.5	63%	0.63	50%	0.498	S	S	*	.	H	α-helix	trans	-66.1	-40.6	173.1	-68.4	-171.9	178.8	-177.7	2.4	112.7	R60 F61 R67	R60-R63 WeakPolarHBondContact O-CB 3.49Å; R60-R63 PolarHBondContact O-N 3.41Å; F61-R63 VanDerWaalsContact C-N 3.33Å; R63-R67 PolarHBondContact O-N 2.87Å
64	R	39.2	Very low	36.2	Very low	136 Å²	136	109.2 Å²	109.2	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-67.1	-42.5	175.2	-82.7	-177.4	168.6	173.4	-3.3	113.1	R60 F61 G66 R67 E361	R60-R64 PolarHBondContact O-N 3.16Å; F61-R64 HydrophobicContact CD1-CB 4.27Å; F61-R64 PolarHBondContact O-N 2.9Å; R64-G66 PolarHBondContact O-N 3.35Å; R64-R67 CarbonylContact O-C 3.48Å; R64-R67 PolarHBondContact O-N 2.83Å; R64-E361 IonicContact NH1-OE2 2.71Å
65	K	34.4	Very low	35.6	Very low	190 Å²	190	120 Å²	120	83%	0.826	57%	0.568	S	S	*	*	H	α-helix	trans	-64.5	-25.7	179.8	-161.4	168	-174.3	172	0	112.9	F61	F61-K65 WeakPolarHBondContact O-CB 3.4Å; F61-K65 PolarHBondContact O-N 3.32Å
66	G	34.7	Very low	34.8	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-9.1	171.1	0	0	0	0	0	116	Q62 R64	Q62-G66 PolarHBondContact O-N 3.35Å; R64-G66 PolarHBondContact O-N 3.35Å
67	R	35.8	Very low	34	Very low	219 Å²	219	132.7 Å²	132.7	83%	0.826	63%	0.63	S	S	*	*			trans	-120.5	66.8	-178.6	-100.1	-174	168.1	-174.1	-2.7	112	R63 R64	R63-R67 PolarHBondContact O-N 2.87Å; R64-R67 CarbonylContact O-C 3.48Å; R64-R67 PolarHBondContact O-N 2.83Å
68	K	34.3	Very low	33	Very low	198 Å²	198	139 Å²	139	86%	0.861	67%	0.668	S	S	*	*			trans	-76.3	139.2	159.1	-78.4	-168.7	171.9	-172.9	0	109.6
69	K	35.2	Very low	32.4	Very low	219 Å²	219	146.2 Å²	146.2	95%	0.952	70%	0.7	S	S	*	*	S	Bend	trans	59.3	80.2	-169.7	-76.8	-170.7	171.8	-175.9	0	114.8
70	G	26.9	Very low	31.5	Very low	63 Å²	63	149.4 Å²	149.4	65%	0.649	72%	0.718	S	S	*	*			trans	-148.5	142.2	149.7	0	0	0	0	0	107.2
71	Q	27.3	Very low	30.3	Very low	193 Å²	193	153.3 Å²	153.3	90%	0.902	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.8	147.6	174.9	-74.4	159.5	-56.3	0	0	109.8
72	S	24.3	Very low	29.3	Very low	101 Å²	101	159.9 Å²	159.9	71%	0.706	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-55.9	135.4	162.3	46.3	0	0	0	0	108.8	Q74	S72-Q74 PolarHBondContact O-N 2.92Å; S72-Q74 VanDerWaalsContact O-N 3.09Å
73	P	25.6	Very low	28.4	Very low	110 Å²	110	158.8 Å²	158.8	71%	0.714	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-57.9	121.7	163.9	26.5	-32.1	0	0	0	107	W75	P73-W75 PolarHBondContact O-N 2.94Å
74	Q	22.6	Very low	27.8	Very low	156 Å²	156	154.9 Å²	154.9	73%	0.729	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.5	169.9	-178.1	169.7	-52.5	0	0	106.6	S72 D76	S72-Q74 PolarHBondContact O-N 2.92Å; S72-Q74 VanDerWaalsContact O-N 3.09Å; Q74-D76 PolarHBondContact NE2-OD1 3.34Å; Q74-D76 PolarHBondContact O-N 3.41Å
75	W	25.7	Very low	27.2	Very low	230 Å²	230	154.5 Å²	154.5	87%	0.871	79%	0.786	S	S	*	*			trans	-72.3	90.9	163.6	-70.9	97.9	0	0	0	105.7	P73 Q77	P73-W75 PolarHBondContact O-N 2.94Å; W75-Q77 PolarHBondContact O-N 3.11Å
76	D	22	Very low	26.7	Very low	115 Å²	115	152.1 Å²	152.1	62%	0.615	79%	0.788	S	S	*	*			trans	-54.2	129.6	170.8	-74.1	-36.1	0	0	0	107.9	Q74 V78	Q74-D76 PolarHBondContact NE2-OD1 3.34Å; Q74-D76 PolarHBondContact O-N 3.41Å; D76-V78 PolarHBondContact O-N 3.25Å
77	Q	26	Very low	26.2	Very low	180 Å²	180	153.9 Å²	153.9	84%	0.841	80%	0.795	S	S	*	*			trans	-61.1	135.5	-180	-59.6	179.6	13	0	0	107.1	W75 E79	W75-Q77 PolarHBondContact O-N 3.11Å; Q77-E79 PolarHBondContact O-N 3.22Å
78	V	24.7	Very low	25.7	Very low	139 Å²	139	148.1 Å²	148.1	84%	0.842	80%	0.795	S	S	*	*			trans	-73.7	77.1	165.7	-178	0	0	0	0	106.5	D76 F80	D76-V78 PolarHBondContact O-N 3.25Å; V78-F80 PolarHBondContact O-N 2.82Å
79	E	23.4	Very low	25.3	Very low	162 Å²	162	146.6 Å²	146.6	76%	0.757	79%	0.791	S	S	*	*			trans	-59.1	124.2	172.9	-172.8	166.4	-152.1	0	0	107.4	Q77 E81	Q77-E79 PolarHBondContact O-N 3.22Å; E79-E81 PolarHBondContact O-N 3.06Å
80	F	25	Very low	24.8	Very low	194 Å²	194	142.5 Å²	142.5	85%	0.851	78%	0.78	S	S	*	*			trans	-68.7	106.2	168.9	-91.1	-107.7	0	0	0	106.7	V78 F82	V78-F80 PolarHBondContact O-N 2.82Å; F80-F82 PolarHBondContact O-N 3.11Å
81	E	21.8	Very low	24.7	Very low	179 Å²	179	145.4 Å²	145.4	84%	0.836	78%	0.78	S	S	*	*			trans	-61.2	84.2	173	-77.7	-167.1	130.8	0	0	110.6	E79 V83	E79-E81 PolarHBondContact O-N 3.06Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 2.75Å; E81-V83 VanDerWaalsContact O-N 3.08Å
82	F	22	Very low	24.6	Very low	187 Å²	187	142.2 Å²	142.2	82%	0.82	77%	0.769	S	S	*	*			trans	-76.8	90	168	-170.2	-88.1	0	0	0	107.3	F80 S84	F80-F82 PolarHBondContact O-N 3.11Å; F82-S84 PolarHBondContact O-N 3.07Å
83	V	23.9	Very low	24.7	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	77%	0.772	S	S	*	*			trans	-60.7	97.4	-178.1	-179.1	0	0	0	0	110.2	E81	E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 2.75Å; E81-V83 VanDerWaalsContact O-N 3.08Å
84	S	28.9	Very low	24.7	Very low	85 Å²	85	142.4 Å²	142.4	59%	0.594	77%	0.768	S	S	*	*			trans	-81.6	137.3	168.2	55.9	0	0	0	0	109.5	F82	F82-S84 PolarHBondContact O-N 3.07Å
85	P	26.1	Very low	25.1	Very low	129 Å²	129	144 Å²	144	84%	0.838	78%	0.775	S	S	*	*			trans	-80.6	137.6	-173.8	31.2	-34.7	0	0	0	112.2
86	T	23.7	Very low	25	Very low	139 Å²	139	140.3 Å²	140.3	85%	0.853	77%	0.773	S	S	*	*			trans	-116.3	126.4	170	49.8	0	0	0	0	110.6
87	A	25.3	Very low	25.4	Very low	106 Å²	106	143 Å²	143	88%	0.876	79%	0.786	S	S	*	*			trans	-171.9	93.4	162.3	0	0	0	0	0	112.8
88	A	25.1	Very low	25.2	Very low	99 Å²	99	139.4 Å²	139.4	82%	0.818	78%	0.78	S	S	*	*			trans	-173	130.3	155	0	0	0	0	0	106.6
89	E	25	Very low	25.2	Very low	166 Å²	166	139.9 Å²	139.9	78%	0.776	78%	0.783	S	S	*	*			cis	-138.2	164.3	2.6	-59.6	-177.7	93.9	0	0	110.3
90	N	26.4	Very low	25	Very low	133 Å²	133	137.9 Å²	137.9	71%	0.711	78%	0.782	S	S	*	*			trans	39.5	145.3	140.1	-51.6	-15.3	0	0	0	120.7
91	D	24.1	Very low	24.9	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	78%	0.784	S	S	*	*			cis	-164.6	160.6	13.2	-141.9	3.5	0	0	0	111.8
92	N	24.3	Very low	25	Very low	126 Å²	126	134.4 Å²	134.4	67%	0.674	78%	0.777	S	S	*	*			trans	51.9	139.9	158.4	-54	-52.6	0	0	0	119.4
93	T	27.1	Very low	25.1	Very low	124 Å²	124	130.3 Å²	130.3	76%	0.761	77%	0.771	S	S	*	*			cis	-165.8	144.4	32	-28.6	0	0	0	0	111.1
94	S	26.6	Very low	25.1	Very low	91 Å²	91	130.5 Å²	130.5	64%	0.636	77%	0.773	S	S	*	*			trans	21.9	130.1	153.5	67.1	0	0	0	0	122.2
95	Q	30.7	Very low	25	Very low	189 Å²	189	133.2 Å²	133.2	88%	0.883	78%	0.781	S	S	*	*				-170.3	164.2	97.9	-100.5	177.4	46.7	0	0	113.3
96	N	24.1	Very low	25	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	77%	0.77	S	S	*	*			trans	-85.5	154.8	-170.9	-56.4	-53	0	0	0	113.5
97	I	29.5	Very low	25	Very low	172 Å²	172	130 Å²	130	88%	0.882	77%	0.765	S	S	*	*				-162.8	143.9	121.2	-98.6	151.6	0	0	0	108.9
98	S	20.9	Very low	25	Very low	104 Å²	104	130 Å²	130	73%	0.727	76%	0.759	S	S	*	*			trans	-127.7	145.1	-177.5	56.1	0	0	0	0	112
99	V	24.9	Very low	25.2	Very low	149 Å²	149	130.3 Å²	130.3	90%	0.903	76%	0.761	S	S	*	*			trans	-155.1	145.8	153.6	-108	0	0	0	0	110.1
100	T	20.6	Very low	25.2	Very low	119 Å²	119	125.7 Å²	125.7	73%	0.73	76%	0.759	S	S	*	*			trans	-141.2	132.1	-167.1	-54.7	0	0	0	0	111.1
101	F	22.7	Very low	25.1	Very low	204 Å²	204	126 Å²	126	90%	0.895	77%	0.771	S	S	*	*			trans	-159.7	114.1	151.5	-82.3	-73.2	0	0	0	106.1
102	S	23.2	Very low	25.1	Very low	97 Å²	97	123.3 Å²	123.3	68%	0.678	77%	0.773	S	S	*	*				67.4	137.6	67.8	101.1	0	0	0	0	113.1
103	S	23.6	Very low	25.2	Very low	101 Å²	101	126.1 Å²	126.1	71%	0.706	79%	0.787	S	S	*	*			cis	-166.8	-172.5	1.8	-163.6	0	0	0	0	110.9
104	T	24.7	Very low	25.1	Very low	131 Å²	131	125.8 Å²	125.8	80%	0.804	78%	0.784	S	S	*	*			trans	71.4	134.5	163.9	59.9	0	0	0	0	118.5
105	N	25.7	Very low	25.1	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	80%	0.796	S	S	*	*			cis	-160.3	161.1	-12.1	-160.5	15.5	0	0	0	112.6
106	S	25.9	Very low	24.9	Very low	87 Å²	87	125.3 Å²	125.3	61%	0.608	78%	0.783	S	S	*	*			trans	40.1	135.3	147.9	57.7	0	0	0	0	121.4
107	C	24.5	Very low	24.9	Very low	112 Å²	112	124.2 Å²	124.2	76%	0.757	78%	0.783	S	S	*	*			cis	-162.1	135.2	8.6	-104.8	0	0	0	0	108.3
108	S	26.2	Very low	24.7	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	78%	0.78	S	S	*	*				45.8	134.5	95.7	71.9	0	0	0	0	116.1
109	A	28.1	Very low	25	Very low	105 Å²	105	127.4 Å²	127.4	87%	0.868	78%	0.777	S	S	*	*			cis	-155.6	174.9	11.2	0	0	0	0	0	110.4
110	G	25.5	Very low	25.1	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	77%	0.769	S	S	*	*			cis	159.9	152.8	-7.5	0	0	0	0	0	113
111	S	24.8	Very low	25.3	Very low	139 Å²	139	134 Å²	134	97%	0.972	77%	0.774	S	S	*	*			trans	62.9	147.6	178.6	-85.4	0	0	0	0	118.8
112	G	24.3	Very low	25.4	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	78%	0.775	S	S	*	*			cis	167.7	174.3	-8.3	0	0	0	0	0	115.2
113	L	26.8	Very low	25.7	Very low	184 Å²	184	137.6 Å²	137.6	96%	0.963	78%	0.784	S	S	*	*			trans	81	147.2	174.9	-150.9	65.9	0	0	0	118
114	V	24.7	Very low	25.8	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.715	79%	0.793	S	S	*	*			trans	-121.8	145.7	-171.8	169.2	0	0	0	0	109.6	T116	V114-T116 HydrophobicContact CG1-CG2 4.43Å
115	L	25.8	Very low	25.8	Very low	168 Å²	168	136.1 Å²	136.1	88%	0.88	79%	0.79	S	S	*	*			trans	-154.7	169.6	149.4	-108.1	168.8	0	0	0	109.8
116	T	25.7	Very low	25.9	Very low	101 Å²	101	134.4 Å²	134.4	62%	0.62	79%	0.789	S	S	*	*			trans	-126.6	165.6	-150	52.3	0	0	0	0	116.2	V114	V114-T116 HydrophobicContact CG1-CG2 4.43Å
117	T	25.2	Very low	26	Very low	132 Å²	132	138 Å²	138	81%	0.81	80%	0.801	S	S	*	*			trans	82.3	148.3	161.2	71.7	0	0	0	0	121
118	R	24.7	Very low	26.3	Very low	218 Å²	218	140.6 Å²	140.6	82%	0.823	80%	0.804	S	S	*	*			trans	77.6	93.6	155.3	-101.1	172.5	175.8	155.7	1.2	122
119	D	27.1	Very low	26.5	Very low	124 Å²	124	140.1 Å²	140.1	66%	0.663	80%	0.801	S	S	*	*				57.2	151.9	112.2	-46.9	-19.3	0	0	0	123.9
120	Y	26.5	Very low	26.6	Very low	187 Å²	187	143.6 Å²	143.6	73%	0.733	80%	0.804	S	S	*	*			trans	77.5	121	160.4	-73.2	-72.5	0	0	0	122
121	R	25.2	Very low	26.8	Very low	221 Å²	221	144.4 Å²	144.4	83%	0.834	80%	0.804	S	S	*	*			trans	31.7	105.8	138.7	-66.7	171	-175.1	167.2	-0.8	117.4
122	K	25.5	Very low	27	Very low	211 Å²	211	143.1 Å²	143.1	92%	0.917	80%	0.795	S	S	*	*			trans	-109.7	107.8	151.1	-77.4	-173.1	174.4	-179.8	0	111.1
123	L	28.8	Very low	27.2	Very low	165 Å²	165	146.8 Å²	146.8	86%	0.864	80%	0.803	S	S	*	*			trans	-76	146.7	155.8	-77.6	164.6	0	0	0	109.3
124	S	26.7	Very low	27.4	Very low	128 Å²	128	147.2 Å²	147.2	90%	0.895	80%	0.797	S	S	*	*			trans	54.8	152.5	156.8	-153.7	0	0	0	0	119.3
125	G	24.8	Very low	27.5	Very low	73 Å²	73	146.9 Å²	146.9	75%	0.753	80%	0.8	S	S	*	*			trans	164.1	24.2	177	0	0	0	0	0	120.1
126	S	27	Very low	27.7	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	79%	0.791	S	S	*	*			trans	-162.8	138.7	163.4	-142.9	0	0	0	0	108
127	L	27.5	Very low	27.9	Very low	163 Å²	163	146.4 Å²	146.4	85%	0.853	80%	0.798	S	S	*	*			cis	-124.1	133.1	33.5	-68.8	160.7	0	0	0	114.4
128	M	30.8	Very low	28.1	Very low	166 Å²	166	144.9 Å²	144.9	82%	0.818	79%	0.793	S	S	*	*			trans	-79.4	155.4	137.6	-69.2	-76.5	174.7	0	0	107
129	S	31	Very low	28.3	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	79%	0.792	S	S	*	*			cis	-163	167.6	9	-139.5	0	0	0	0	108.7
130	L	30.7	Very low	28.5	Very low	178 Å²	178	138.9 Å²	138.9	93%	0.932	79%	0.794	S	S	*	*				-172	156.5	129.9	-102.8	173	0	0	0	110.2
131	A	28.4	Very low	28.7	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	80%	0.798	S	S	*	*			trans	-127.8	166.7	-164.2	0	0	0	0	0	113.9
132	S	28.9	Very low	28.9	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	79%	0.79	S	S	*	*			trans	66.8	105.5	153.1	175.6	0	0	0	0	119.1
133	V	30.2	Very low	29	Very low	144 Å²	144	125.8 Å²	125.8	87%	0.873	79%	0.785	S	S	*	*				-134.9	143.9	121.2	-169.3	0	0	0	0	108.5
134	K	29.4	Very low	29	Very low	192 Å²	192	124 Å²	124	84%	0.835	79%	0.785	S	S	*	*			trans	-136.6	122.1	175	-170.8	179.3	-174.4	178.1	0	109.9
135	S	27.1	Very low	29	Very low	111 Å²	111	122.4 Å²	122.4	78%	0.776	78%	0.78	S	S	*	*			trans	-154.6	105.4	175.8	-172.2	0	0	0	0	107.2
136	V	30.8	Very low	29.2	Very low	113 Å²	113	125.7 Å²	125.7	69%	0.685	78%	0.78	S	S	*	*				78	90.3	56.2	-175.1	0	0	0	0	113.4
137	N	28.6	Very low	29.2	Very low	146 Å²	146	129.5 Å²	129.5	78%	0.781	79%	0.786	S	S	*	*			trans	-163.3	120.4	136.7	-98.3	-18.9	0	0	0	106
138	S	30.2	Very low	29.3	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	78%	0.78	S	S	*	*				72	118.9	89	-59.4	0	0	0	0	112.4
139	S	28.9	Very low	29.3	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	78%	0.784	S	S	*	*			cis	-150.9	179.9	1.6	-62.8	0	0	0	0	107.9
140	S	30.4	Very low	29	Very low	103 Å²	103	125 Å²	125	72%	0.72	78%	0.777	S	S	*	*			cis	-169.5	158.7	26.6	51.3	0	0	0	0	111.7
141	S	31.2	Very low	28.9	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	78%	0.778	S	S	*	*			trans	47	141.2	145.3	-70.9	0	0	0	0	122.2
142	S	29.6	Very low	28.9	Very low	95 Å²	95	131.8 Å²	131.8	66%	0.664	78%	0.783	S	S	*	*			cis	-166.7	158.3	1.9	43.2	0	0	0	0	114.1
143	T	28.4	Very low	28.8	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	78%	0.781	S	S	*	*			trans	59.7	116.6	150	47.2	0	0	0	0	120.2
144	C	29.2	Very low	28.7	Very low	126 Å²	126	126.2 Å²	126.2	85%	0.851	77%	0.772	S	S	*	*			trans	-93.6	158	155.8	52.8	0	0	0	0	111.8
145	A	26.7	Very low	28.8	Very low	96 Å²	96	123.6 Å²	123.6	79%	0.793	77%	0.773	S	S	*	*			trans	-143.3	110.8	152.5	0	0	0	0	0	105.3
146	N	28.9	Very low	29.1	Very low	142 Å²	142	126 Å²	126	76%	0.759	78%	0.776	S	S	*	*				77.2	95.9	71.1	-176.7	84.7	0	0	0	112.7
147	E	26.3	Very low	29.2	Very low	185 Å²	185	125.2 Å²	125.2	86%	0.864	78%	0.782	S	S	*	*				-161.9	169.3	121.3	-114.6	164.7	-156.1	0	0	111.5
148	S	29.7	Very low	29.3	Very low	103 Å²	103	126.2 Å²	126.2	72%	0.72	79%	0.787	S	S	*	*			trans	-128.6	145.5	-167.8	56.6	0	0	0	0	112.4
149	I	31.1	Very low	29.4	Very low	178 Å²	178	126.2 Å²	126.2	91%	0.913	79%	0.793	S	S	*	*			trans	170.3	143.1	156.2	-91	147.8	0	0	0	107
150	G	24.5	Very low	29.5	Very low	50 Å²	50	126.8 Å²	126.8	52%	0.515	80%	0.796	S	S	.	*			cis	145.4	80.9	-12.3	0	0	0	0	0	115.6
151	W	28.3	Very low	29.5	Very low	256 Å²	256	127 Å²	127	97%	0.97	80%	0.798	S	S	*	*			trans	62.9	167.9	169.4	-39.2	82.1	0	0	0	114.1
152	D	27.6	Very low	29.6	Very low	153 Å²	153	127.4 Å²	127.4	82%	0.818	80%	0.795	S	S	*	*			cis	-155.7	162.4	0.9	-169.6	18.2	0	0	0	110.2
153	G	27.8	Very low	30	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	80%	0.8	S	S	*	*			trans	68.8	165.6	166.6	0	0	0	0	0	118.1
154	G	28.6	Very low	30.2	Very low	67 Å²	67	128.6 Å²	128.6	69%	0.691	79%	0.793	S	S	*	*			cis	168.5	158.4	-7.1	0	0	0	0	0	112.9
155	T	30.3	Very low	30.9	Very low	138 Å²	138	130.8 Å²	130.8	85%	0.847	80%	0.796	S	S	*	*			trans	58.6	106.2	168.8	46.4	0	0	0	0	120.8
156	D	33.5	Very low	31.6	Very low	160 Å²	160	131 Å²	131	86%	0.856	79%	0.791	S	S	*	*				36.4	151	123.9	-59.1	-16	0	0	0	124.9
157	A	34.1	Very low	32.3	Very low	98 Å²	98	130.7 Å²	130.7	81%	0.81	79%	0.788	S	S	*	*			trans	97.7	104.4	151.7	0	0	0	0	0	120.1
158	D	30	Very low	33.7	Very low	166 Å²	166	126.5 Å²	126.5	89%	0.888	78%	0.775	S	S	*	*			trans	36.8	105.1	148.6	-69.9	-22	0	0	0	121.6
159	A	31.4	Very low	35.5	Very low	100 Å²	100	123.7 Å²	123.7	83%	0.826	75%	0.754	S	S	*	*			trans	-136.9	104.5	139.2	0	0	0	0	0	109.7	S161	A159-S161 PolarHBondContact O-N 3.35Å
160	C	32.3	Very low	36.9	Very low	125 Å²	125	119.8 Å²	119.8	85%	0.845	74%	0.74	S	S	*	*			trans	-82.8	100	179.8	-169.3	0	0	0	0	110.7
161	S	29.4	Very low	39.2	Very low	108 Å²	108	122.4 Å²	122.4	76%	0.755	74%	0.739	S	S	*	*			trans	-117.1	89.6	174.6	64.2	0	0	0	0	111.6	A159 V163	A159-S161 PolarHBondContact O-N 3.35Å; S161-V163 PolarHBondContact O-N 2.8Å
162	V	34.7	Very low	41.5	Very low	123 Å²	123	114.2 Å²	114.2	75%	0.745	71%	0.714	S	S	*	*			trans	-65.4	117.5	171	174.5	0	0	0	0	109.9
163	V	36.3	Very low	43.8	Very low	127 Å²	127	112 Å²	112	77%	0.77	70%	0.702	S	S	*	*			trans	-134.6	96.7	156.5	-175	0	0	0	0	109.5	S161	S161-V163 PolarHBondContact O-N 2.8Å
164	N	33.2	Very low	46.2	Very low	129 Å²	129	111.4 Å²	111.4	69%	0.69	68%	0.678	S	S	*	*			trans	40.7	99.5	149.9	-57.9	-16	0	0	0	118.7	S166	N164-S166 VanDerWaalsContact C-N 3.35Å; N164-S166 PolarHBondContact O-N 2.85Å
165	L	43.3	Very low	48.7	Very low	172 Å²	172	112 Å²	112	90%	0.901	67%	0.665	S	S	*	*			trans	-46	102.1	133.8	-178.6	75.3	0	0	0	108.5	I167	L165-I167 PolarHBondContact O-N 2.57Å; L165-I167 VanDerWaalsContact O-N 3.09Å
166	S	41.9	Very low	51.1	Low	101 Å²	101	110.8 Å²	110.8	71%	0.706	65%	0.651	S	S	*	*			trans	-70.4	108.1	-173.3	55.8	0	0	0	0	110.6	N164 T168	N164-S166 VanDerWaalsContact C-N 3.35Å; N164-S166 PolarHBondContact O-N 2.85Å; S166-T168 PolarHBondContact O-N 3.31Å
167	I	45	Very low	53.5	Low	135 Å²	135	104.8 Å²	104.8	69%	0.692	63%	0.627	S	S	*	*			trans	-54.5	109.4	-178.9	-56	166.2	0	0	0	109.4	L165 T169 N172	L165-I167 PolarHBondContact O-N 2.57Å; L165-I167 VanDerWaalsContact O-N 3.09Å; I167-T169 HydrophobicContact CB-CG2 4.42Å; I167-T169 HydrophobicContact CG2-CG2 3.71Å; I167-T169 PolarHBondContact O-N 3.19Å; I167-N172 PolarHBondContact O-ND2 2.99Å
168	T	54.3	Low	55.8	Low	96 Å²	96	102.6 Å²	102.6	59%	0.589	60%	0.6	S	S	*	*			trans	-74.6	83.4	166.6	54.7	0	0	0	0	107.9	S166 L173	S166-T168 PolarHBondContact O-N 3.31Å; T168-L173 HydrophobicContact CG2-CD2 4.46Å
169	T	67.5	Low	58.2	Low	45 Å²	45	99 Å²	99	28%	0.276	58%	0.581	S	S	.	*			trans	-63.6	159.9	171.5	72.7	0	0	0	0	109.6	I167 E171 N172 L173	I167-T169 HydrophobicContact CB-CG2 4.42Å; I167-T169 HydrophobicContact CG2-CG2 3.71Å; I167-T169 PolarHBondContact O-N 3.19Å; T169-E171 WeakPolarHBondContact CB-OE2 3.48Å; T169-E171 PolarHBondContact O-N 2.96Å; T169-E171 PolarHBondContact OG1-OE2 3.05Å; T169-N172 PolarHBondContact O-N 3.14Å; T169-N172 VanDerWaalsContact O-N 3.13Å; T169-N172 PolarHBondContact OG1-N 3.5Å; T169-L173 PolarHBondContact O-N 3.26Å; T169-L173 VanDerWaalsContact O-N 3.15Å
170	P	61.6	Low	60.8	Low	95 Å²	95	99.2 Å²	99.2	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-55.9	-33.7	178.8	-25.6	36.2	0	0	0	113	L173 Y174	P170-L173 PolarHBondContact O-N 3.4Å; P170-Y174 WeakPolarHBondContact O-CB 3.45Å; P170-Y174 PolarHBondContact O-N 3.2Å
171	E	72.1	Confident	63.4	Low	105 Å²	105	95.5 Å²	95.5	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-68.6	-41.9	178.7	-48.5	72.8	-153.7	0	0	110.8	T169 L173 Y174 L175	T169-E171 WeakPolarHBondContact CB-OE2 3.48Å; T169-E171 PolarHBondContact O-N 2.96Å; T169-E171 PolarHBondContact OG1-OE2 3.05Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 2.87Å; E171-Y174 WeakPolarHBondContact O-CB 3.4Å; E171-Y174 PolarHBondContact O-N 3.04Å; E171-L175 WeakPolarHBondContact O-CG 3.47Å; E171-L175 PolarHBondContact O-N 3.34Å
172	N	75.8	Confident	66.2	Low	85 Å²	85	95.9 Å²	95.9	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-33.5	174.9	-72.5	-18.5	0	0	0	112.5	I167 T169 M176	I167-N172 PolarHBondContact O-ND2 2.99Å; T169-N172 PolarHBondContact O-N 3.14Å; T169-N172 VanDerWaalsContact O-N 3.13Å; T169-N172 PolarHBondContact OG1-N 3.5Å; N172-M176 WeakPolarHBondContact O-CB 3.46Å; N172-M176 PolarHBondContact O-N 3.41Å
173	L	76.9	Confident	68.6	Low	106 Å²	106	95.3 Å²	95.3	56%	0.555	52%	0.517	S	S	*	.	H	α-helix	trans	-75.6	-32.5	174.4	-68.8	173.5	0	0	0	112.5	T168 T169 P170 E171 G177	T168-L173 HydrophobicContact CG2-CD2 4.46Å; T169-L173 PolarHBondContact O-N 3.26Å; T169-L173 VanDerWaalsContact O-N 3.15Å; P170-L173 PolarHBondContact O-N 3.4Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 2.87Å; L173-G177 PolarHBondContact O-N 3.01Å; L173-G177 VanDerWaalsContact O-N 3.16Å
174	Y	79.1	Confident	71	Confident	58 Å²	58	90.8 Å²	90.8	23%	0.227	49%	0.493	C	S	.	.	H	α-helix	trans	-66.7	-47.9	172.5	167.8	-82.8	0	0	0	111.2	P170 E171 M176 G177 M178 F249 L253	P170-Y174 WeakPolarHBondContact O-CB 3.45Å; P170-Y174 PolarHBondContact O-N 3.2Å; E171-Y174 WeakPolarHBondContact O-CB 3.4Å; E171-Y174 PolarHBondContact O-N 3.04Å; Y174-M176 PolarHBondContact O-N 3.5Å; Y174-G177 CarbonylContact O-C 3.58Å; Y174-G177 VanDerWaalsContact O-CA 3.31Å; Y174-G177 WeakPolarHBondContact O-CA 3.34Å; Y174-G177 PolarHBondContact O-N 3.46Å; Y174-M178 HydrophobicContact CD1-CG 4.13Å; Y174-M178 HydrophobicContact CE1-CG 3.59Å; Y174-M178 HydrophobicContact CE1-SD 4.44Å; Y174-M178 HydrophobicContact CE2-CE 4.47Å; Y174-M178 HydrophobicContact CE2-CG 4.29Å; Y174-M178 HydrophobicContact CE2-SD 4.29Å; Y174-M178 PolarHBondContact O-N 2.86Å; Y174-F249 HydrophobicContact CE2-CD1 4.1Å; Y174-F249 WeakPolarHBondContact OH-CB 3.31Å; Y174-F249 PolarHBondContact OH-O 3.44Å; Y174-F249 VanDerWaalsContact OH-O 3.11Å; Y174-L253 HydrophobicContact CD1-CD1 3.8Å; Y174-L253 HydrophobicContact CE1-CD1 3.31Å; Y174-L253 HydrophobicContact CE1-CG 3.91Å
175	L	80.8	Confident	73.6	Confident	80 Å²	80	84.8 Å²	84.8	42%	0.419	46%	0.46	S	S	.	.	H	α-helix	trans	-59.7	-49.7	179.4	-71.5	169.5	0	0	0	111	E171 G177 M178 D179 L253	E171-L175 WeakPolarHBondContact O-CG 3.47Å; E171-L175 PolarHBondContact O-N 3.34Å; L175-G177 PolarHBondContact O-N 3.06Å; L175-G177 VanDerWaalsContact O-N 3.11Å; L175-M178 WeakPolarHBondContact O-CA 3.35Å; L175-M178 PolarHBondContact O-N 3.37Å; L175-D179 VanDerWaalsContact O-CG 3.24Å; L175-D179 PolarHBondContact O-N 3.14Å; L175-L253 HydrophobicContact CD2-CD1 4.49Å
176	M	80.8	Confident	75.6	Confident	112 Å²	112	81.6 Å²	81.6	55%	0.552	44%	0.441	S	S	*	.	H	α-helix	trans	-54.7	-30.7	171.6	-173.7	67.6	49.7	0	0	113.1	N172 Y174 L180	N172-M176 WeakPolarHBondContact O-CB 3.46Å; N172-M176 PolarHBondContact O-N 3.41Å; Y174-M176 PolarHBondContact O-N 3.5Å; M176-L180 WeakPolarHBondContact O-CD1 3.44Å; M176-L180 VanDerWaalsContact O-CG 3.28Å; M176-L180 WeakPolarHBondContact O-CG 3.46Å; M176-L180 PolarHBondContact O-N 3.19Å
177	G	83	Confident	77.7	Confident	34 Å²	34	81.8 Å²	81.8	35%	0.351	43%	0.43	S	S	.	.	H	α-helix	trans	-77.9	-27.5	174.9	0	0	0	0	0	114.3	L173 Y174 L175 F181	L173-G177 PolarHBondContact O-N 3.01Å; L173-G177 VanDerWaalsContact O-N 3.16Å; Y174-G177 CarbonylContact O-C 3.58Å; Y174-G177 VanDerWaalsContact O-CA 3.31Å; Y174-G177 WeakPolarHBondContact O-CA 3.34Å; Y174-G177 PolarHBondContact O-N 3.46Å; L175-G177 PolarHBondContact O-N 3.06Å; L175-G177 VanDerWaalsContact O-N 3.11Å; G177-F181 WeakPolarHBondContact O-CB 3.46Å; G177-F181 PolarHBondContact O-N 3.38Å
178	M	81.8	Confident	79.7	Confident	52 Å²	52	79.1 Å²	79.1	26%	0.256	41%	0.412	S	S	.	.	H	α-helix	trans	-78.6	-42	172.5	-64.3	-64.3	92.5	0	0	111.2	Y174 L175 L180 F181 E182 F249	Y174-M178 HydrophobicContact CD1-CG 4.13Å; Y174-M178 HydrophobicContact CE1-CG 3.59Å; Y174-M178 HydrophobicContact CE1-SD 4.44Å; Y174-M178 HydrophobicContact CE2-CE 4.47Å; Y174-M178 HydrophobicContact CE2-CG 4.29Å; Y174-M178 HydrophobicContact CE2-SD 4.29Å; Y174-M178 PolarHBondContact O-N 2.86Å; L175-M178 WeakPolarHBondContact O-CA 3.35Å; L175-M178 PolarHBondContact O-N 3.37Å; M178-L180 VanDerWaalsContact C-N 3.3Å; M178-L180 PolarHBondContact O-N 2.77Å; M178-F181 CarbonylContact O-C 3.35Å; M178-F181 WeakPolarHBondContact O-CA 3.2Å; M178-F181 WeakPolarHBondContact O-CB 3.3Å; M178-F181 PolarHBondContact O-N 3.25Å; M178-E182 PolarHBondContact O-N 3.29Å; M178-F249 HydrophobicContact SD-CB 4.22Å
179	D	81.2	Confident	81.2	Confident	92 Å²	92	78.4 Å²	78.4	49%	0.492	40%	0.401	S	S	.	.	H	α-helix	trans	-53.9	-48	174.5	-58.5	-25.1	0	0	0	110.8	L175 F181 E182 E183	L175-D179 VanDerWaalsContact O-CG 3.24Å; L175-D179 PolarHBondContact O-N 3.14Å; D179-F181 VanDerWaalsContact C-N 3.27Å; D179-F181 PolarHBondContact O-N 3.21Å; D179-E182 PolarHBondContact O-N 3.19Å; D179-E183 PolarHBondContact O-N 2.88Å
180	L	86.6	Confident	81.9	Confident	103 Å²	103	80.3 Å²	80.3	54%	0.539	41%	0.407	S	S	.	.	H	α-helix	trans	-69.9	-19.8	176.6	-70.2	171	0	0	0	113.9	M176 M178 A184	M176-L180 WeakPolarHBondContact O-CD1 3.44Å; M176-L180 VanDerWaalsContact O-CG 3.28Å; M176-L180 WeakPolarHBondContact O-CG 3.46Å; M176-L180 PolarHBondContact O-N 3.19Å; M178-L180 VanDerWaalsContact C-N 3.3Å; M178-L180 PolarHBondContact O-N 2.77Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.29Å
181	F	85.9	Confident	82.7	Confident	47 Å²	47	78.2 Å²	78.2	21%	0.206	40%	0.398	C	S	.	.	H	α-helix	trans	-83.6	-37.3	175.3	-176.2	-110.9	0	0	0	111.2	G177 M178 D179 A184 L185 A242 L245 Q246	G177-F181 WeakPolarHBondContact O-CB 3.46Å; G177-F181 PolarHBondContact O-N 3.38Å; M178-F181 CarbonylContact O-C 3.35Å; M178-F181 WeakPolarHBondContact O-CA 3.2Å; M178-F181 WeakPolarHBondContact O-CB 3.3Å; M178-F181 PolarHBondContact O-N 3.25Å; D179-F181 VanDerWaalsContact C-N 3.27Å; D179-F181 PolarHBondContact O-N 3.21Å; F181-A184 PolarHBondContact O-N 3.35Å; F181-L185 HydrophobicContact CD1-CD1 4.13Å; F181-L185 HydrophobicContact CE1-CD1 4Å; F181-L185 WeakPolarHBondContact O-CG 3.45Å; F181-L185 PolarHBondContact O-N 2.79Å; F181-A242 HydrophobicContact CE2-CB 4.47Å; F181-A242 HydrophobicContact CZ-CB 3.78Å; F181-L245 HydrophobicContact CZ-CD2 4.16Å; F181-Q246 HydrophobicContact CE1-CB 4.26Å
182	E	88.3	Confident	83	Confident	117 Å²	117	74.7 Å²	74.7	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-66.7	-41.3	171.8	-170.4	167.3	-127.2	0	0	111.5	M178 D179 A184 L185 Q186	M178-E182 PolarHBondContact O-N 3.29Å; D179-E182 PolarHBondContact O-N 3.19Å; E182-A184 VanDerWaalsContact C-N 3.28Å; E182-A184 PolarHBondContact O-N 3.24Å; E182-L185 WeakPolarHBondContact O-CB 3.48Å; E182-L185 PolarHBondContact O-N 3.34Å; E182-L185 VanDerWaalsContact O-N 3.17Å; E182-Q186 PolarHBondContact O-N 3.07Å
183	E	86.1	Confident	82.7	Confident	111 Å²	111	74.6 Å²	74.6	52%	0.519	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-37.7	172.2	-168.2	175.5	-127.8	0	0	111.8	D179 H187	D179-E183 PolarHBondContact O-N 2.88Å; E183-H187 PolarHBondContact O-CD2 2.91Å; E183-H187 PolarHBondContact O-N 3.23Å; E183-H187 VanDerWaalsContact O-N 3.16Å
184	A	85.6	Confident	82.1	Confident	32 Å²	32	77.3 Å²	77.3	26%	0.264	39%	0.393	S	S	.	.	H	α-helix	trans	-70.1	-37.6	174.3	0	0	0	0	0	113.3	L180 F181 E182 H187 W188	L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.29Å; F181-A184 PolarHBondContact O-N 3.35Å; E182-A184 VanDerWaalsContact C-N 3.28Å; E182-A184 PolarHBondContact O-N 3.24Å; A184-H187 PolarHBondContact O-N 3.11Å; A184-W188 VanDerWaalsContact O-CG 3.28Å; A184-W188 PolarHBondContact O-N 2.93Å
185	L	88.1	Confident	81.2	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.016	40%	0.403	C	S	.	.	H	α-helix	trans	-61	-49.1	172.3	-79.5	169.3	0	0	0	111	F181 E182 H187 W188 E189 L239 A242 Y243	F181-L185 HydrophobicContact CD1-CD1 4.13Å; F181-L185 HydrophobicContact CE1-CD1 4Å; F181-L185 WeakPolarHBondContact O-CG 3.45Å; F181-L185 PolarHBondContact O-N 2.79Å; E182-L185 WeakPolarHBondContact O-CB 3.48Å; E182-L185 PolarHBondContact O-N 3.34Å; E182-L185 VanDerWaalsContact O-N 3.17Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-H187 PolarHBondContact O-N 3.19Å; L185-W188 HydrophobicContact CD2-CE3 4.26Å; L185-W188 HydrophobicContact CD2-CZ3 4.47Å; L185-W188 WeakPolarHBondContact O-CA 3.19Å; L185-W188 WeakPolarHBondContact O-CB 3.28Å; L185-W188 PolarHBondContact O-N 3.11Å; L185-E189 PolarHBondContact O-N 3.1Å; L185-L239 HydrophobicContact CD2-CD1 3.71Å; L185-A242 HydrophobicContact CD2-CB 3.54Å; L185-Y243 HydrophobicContact CD1-CD1 4.11Å; L185-Y243 HydrophobicContact CD1-CE1 4.27Å; L185-Y243 HydrophobicContact CD2-CD1 4.16Å; L185-Y243 HydrophobicContact CD2-CE1 4.15Å
186	Q	85.3	Confident	79.8	Confident	105 Å²	105	79.5 Å²	79.5	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-57.2	-44.6	178.6	-171.8	-173.7	-45.6	0	0	111.3	E182 W188 E189 E190	E182-Q186 PolarHBondContact O-N 3.07Å; Q186-W188 VanDerWaalsContact C-N 3.26Å; Q186-W188 PolarHBondContact O-N 2.88Å; Q186-E189 WeakPolarHBondContact O-CB 3.49Å; Q186-E189 PolarHBondContact O-N 2.93Å; Q186-E189 VanDerWaalsContact O-N 3.14Å; Q186-E190 HydrophobicContact CG-CG 4.49Å; Q186-E190 PolarHBondContact NE2-OE1 2.67Å; Q186-E190 WeakPolarHBondContact O-CG 3.47Å; Q186-E190 PolarHBondContact O-N 3.2Å
187	H	85.4	Confident	78.4	Confident	104 Å²	104	83.3 Å²	83.3	48%	0.481	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-26.5	175.9	-73.2	-32.9	0	0	0	113.8	E183 A184 L185 E190 A191	E183-H187 PolarHBondContact O-CD2 2.91Å; E183-H187 PolarHBondContact O-N 3.23Å; E183-H187 VanDerWaalsContact O-N 3.16Å; A184-H187 PolarHBondContact O-N 3.11Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-H187 PolarHBondContact O-N 3.19Å; H187-E190 IonicContact CE1-OE2 3.76Å; H187-E190 IonicContact CG-OE2 2.72Å; H187-E190 IonicContact ND1-OE2 3.76Å; H187-E190 PolarHBondContact ND1-OE2 2.95Å; H187-A191 WeakPolarHBondContact O-CB 3.46Å; H187-A191 PolarHBondContact O-N 3.45Å
188	W	87.6	Confident	76.7	Confident	80 Å²	80	88.5 Å²	88.5	30%	0.303	43%	0.428	S	S	.	.	H	α-helix	trans	-76.4	-32.3	172.6	-63.3	-9.2	0	0	0	112.4	A184 L185 Q186 L192 L235 L238 L239 A242	A184-W188 VanDerWaalsContact O-CG 3.28Å; A184-W188 PolarHBondContact O-N 2.93Å; L185-W188 HydrophobicContact CD2-CE3 4.26Å; L185-W188 HydrophobicContact CD2-CZ3 4.47Å; L185-W188 WeakPolarHBondContact O-CA 3.19Å; L185-W188 WeakPolarHBondContact O-CB 3.28Å; L185-W188 PolarHBondContact O-N 3.11Å; Q186-W188 VanDerWaalsContact C-N 3.26Å; Q186-W188 PolarHBondContact O-N 2.88Å; W188-L192 WeakPolarHBondContact O-CG 3.36Å; W188-L192 PolarHBondContact O-N 3.36Å; W188-L235 HydrophobicContact CB-CD1 4.01Å; W188-L235 HydrophobicContact CD2-CD1 4.5Å; W188-L235 HydrophobicContact CG-CD1 4.03Å; W188-L238 HydrophobicContact CD2-CD2 4.44Å; W188-L238 HydrophobicContact CE3-CD2 4.18Å; W188-L238 HydrophobicContact CE3-CG 4.23Å; W188-L238 HydrophobicContact CH2-CD2 4Å; W188-L238 HydrophobicContact CH2-CG 4.27Å; W188-L238 HydrophobicContact CZ2-CD2 4.25Å; W188-L238 HydrophobicContact CZ3-CD1 4.48Å; W188-L238 HydrophobicContact CZ3-CD2 3.96Å; W188-L238 HydrophobicContact CZ3-CG 3.86Å; W188-L239 HydrophobicContact CB-CD1 3.95Å; W188-L239 HydrophobicContact CE3-CD1 4.38Å; W188-A242 HydrophobicContact CZ3-CB 3.99Å
189	E	86.3	Confident	75	Confident	80 Å²	80	88.8 Å²	88.8	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-69.3	-43	170.4	-66	177.1	-141.2	0	0	112.1	L185 Q186 A191 L192 T193 L239 Y243	L185-E189 PolarHBondContact O-N 3.1Å; Q186-E189 WeakPolarHBondContact O-CB 3.49Å; Q186-E189 PolarHBondContact O-N 2.93Å; Q186-E189 VanDerWaalsContact O-N 3.14Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 3.24Å; E189-L192 PolarHBondContact O-N 2.99Å; E189-L192 VanDerWaalsContact O-N 3.11Å; E189-T193 PolarHBondContact O-N 3.35Å; E189-T193 PolarHBondContact O-OG1 2.92Å; E189-T193 VanDerWaalsContact O-OG1 3.1Å; E189-L239 HydrophobicContact CG-CD1 4.07Å; E189-L239 HydrophobicContact CG-CD2 4.08Å; E189-Y243 PolarHBondContact OE1-OH 3Å
190	E	82.8	Confident	73.2	Confident	85 Å²	85	90.8 Å²	90.8	40%	0.397	46%	0.455	S	S	.	.	H	α-helix	trans	-59.1	-43.3	172.9	-72.9	170.8	174.9	0	0	111	Q186 H187 L192 T193 F194	Q186-E190 HydrophobicContact CG-CG 4.49Å; Q186-E190 PolarHBondContact NE2-OE1 2.67Å; Q186-E190 WeakPolarHBondContact O-CG 3.47Å; Q186-E190 PolarHBondContact O-N 3.2Å; H187-E190 IonicContact CE1-OE2 3.76Å; H187-E190 IonicContact CG-OE2 2.72Å; H187-E190 IonicContact ND1-OE2 3.76Å; H187-E190 PolarHBondContact ND1-OE2 2.95Å; E190-L192 VanDerWaalsContact C-N 3.28Å; E190-L192 PolarHBondContact O-N 3.38Å; E190-T193 PolarHBondContact O-N 2.96Å; E190-T193 PolarHBondContact O-OG1 3.21Å; E190-F194 VanDerWaalsContact O-CB 3.28Å; E190-F194 WeakPolarHBondContact O-CB 3.47Å; E190-F194 PolarHBondContact O-N 3.33Å
191	A	78.1	Confident	71	Confident	52 Å²	52	92 Å²	92	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-30.6	174.8	0	0	0	0	0	113.5	H187 E189 L235	H187-A191 WeakPolarHBondContact O-CB 3.46Å; H187-A191 PolarHBondContact O-N 3.45Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 3.24Å; A191-L235 HydrophobicContact CB-CD2 4.16Å
192	L	76.9	Confident	69	Low	31 Å²	31	97 Å²	97	16%	0.162	49%	0.491	C	S	.	.	H	α-helix	trans	-77.2	-37.1	174.9	-73.6	170.4	0	0	0	112.8	W188 E189 E190 I232 L235 K236 L239	W188-L192 WeakPolarHBondContact O-CG 3.36Å; W188-L192 PolarHBondContact O-N 3.36Å; E189-L192 PolarHBondContact O-N 2.99Å; E189-L192 VanDerWaalsContact O-N 3.11Å; E190-L192 VanDerWaalsContact C-N 3.28Å; E190-L192 PolarHBondContact O-N 3.38Å; L192-I232 HydrophobicContact CD2-CG2 4.02Å; L192-L235 HydrophobicContact CD1-CG 4.36Å; L192-L235 HydrophobicContact CD2-CB 4.28Å; L192-L235 HydrophobicContact CD2-CD2 3.81Å; L192-L235 HydrophobicContact CD2-CG 4.07Å; L192-L235 HydrophobicContact CG-CD2 3.8Å; L192-L235 HydrophobicContact CG-CG 4.08Å; L192-K236 HydrophobicContact CD1-CG 3.91Å; L192-K236 HydrophobicContact CD2-CG 3.87Å; L192-L239 HydrophobicContact CD1-CD2 4.2Å
193	T	70.4	Confident	66.7	Low	82 Å²	82	99.4 Å²	99.4	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-83	-29.5	-178.2	54.6	0	0	0	0	113.7	E189 E190 R195 S196 R197	E189-T193 PolarHBondContact O-N 3.35Å; E189-T193 PolarHBondContact O-OG1 2.92Å; E189-T193 VanDerWaalsContact O-OG1 3.1Å; E190-T193 PolarHBondContact O-N 2.96Å; E190-T193 PolarHBondContact O-OG1 3.21Å; T193-R195 VanDerWaalsContact C-N 3.3Å; T193-R195 PolarHBondContact O-N 3.19Å; T193-S196 PolarHBondContact O-N 3.45Å; T193-S196 PolarHBondContact O-OG 2.98Å; T193-S196 VanDerWaalsContact O-OG 3.07Å; T193-R197 PolarHBondContact O-N 3.44Å
194	F	64.9	Low	64.5	Low	163 Å²	163	98.1 Å²	98.1	72%	0.715	52%	0.516	S	S	*	.	H	α-helix	trans	-58.5	-40.5	177.2	-172.6	-92	0	0	0	112.1	E190	E190-F194 VanDerWaalsContact O-CB 3.28Å; E190-F194 WeakPolarHBondContact O-CB 3.47Å; E190-F194 PolarHBondContact O-N 3.33Å
195	R	58.4	Low	62.1	Low	120 Å²	120	103.5 Å²	103.5	45%	0.453	55%	0.545	S	S	.	.	H	α-helix	trans	-82.8	-22.1	178	-170.3	163.8	179.1	154.3	-2.4	114.1	T193 Q198 D225 S228	T193-R195 VanDerWaalsContact C-N 3.3Å; T193-R195 PolarHBondContact O-N 3.19Å; R195-Q198 PolarHBondContact O-N 3.48Å; R195-D225 IonicContact NH2-OD1 3.53Å; R195-D225 PolarHBondContact NH2-OD1 3.33Å; R195-S228 VanDerWaalsContact CZ-CB 3.5Å; R195-S228 PolarHBondContact NE-OG 2.98Å; R195-S228 PolarHBondContact NH1-OG 3.03Å; R195-S228 PolarHBondContact NH2-OG 3.14Å
196	S	53.1	Low	59.5	Low	64 Å²	64	108.6 Å²	108.6	45%	0.448	58%	0.581	S	S	.	*	H	α-helix	trans	-70.5	-42.6	175.7	68.7	0	0	0	0	111.6	T193 Q198 G199	T193-S196 PolarHBondContact O-N 3.45Å; T193-S196 PolarHBondContact O-OG 2.98Å; T193-S196 VanDerWaalsContact O-OG 3.07Å; S196-Q198 PolarHBondContact O-N 2.96Å; S196-G199 PolarHBondContact O-N 2.61Å
197	R	50.2	Low	57	Low	193 Å²	193	108.8 Å²	108.8	73%	0.728	59%	0.593	S	S	*	*	H	α-helix	trans	-56.5	-33.6	174.5	-98.7	-175.7	169.5	170	-1	113.7	T193 G199	T193-R197 PolarHBondContact O-N 3.44Å; R197-G199 PolarHBondContact O-N 2.83Å
198	Q	47.6	Very low	54.4	Low	143 Å²	143	112.7 Å²	112.7	67%	0.668	61%	0.608	S	S	*	*	H	α-helix	trans	-69.1	-11.7	179	-158.6	65.6	77.6	0	0	113.5	R195 S196	R195-Q198 PolarHBondContact O-N 3.48Å; S196-Q198 PolarHBondContact O-N 2.96Å
199	G	46.6	Very low	51.8	Low	57 Å²	57	114 Å²	114	59%	0.588	63%	0.63	S	S	*	*	H	α-helix	trans	-100.7	-19.3	-179.8	0	0	0	0	0	115.8	S196 R197	S196-G199 PolarHBondContact O-N 2.61Å; R197-G199 PolarHBondContact O-N 2.83Å
200	D	43.4	Very low	49.1	Very low	134 Å²	134	116.8 Å²	116.8	72%	0.717	65%	0.652	S	S	*	*	H	α-helix	trans	-103.4	-16.1	-170.9	-65.4	-30.7	0	0	0	114.1
201	D	40.5	Very low	46.8	Very low	128 Å²	128	122 Å²	122	68%	0.684	67%	0.673	S	S	*	*	S	Bend	trans	-91.2	-4.8	-172.9	-85.9	-27.2	0	0	0	115.2	D203	D201-D203 VanDerWaalsContact C-N 3.33Å; D201-D203 PolarHBondContact O-N 3.25Å
202	D	43.2	Very low	44.7	Very low	154 Å²	154	126 Å²	126	82%	0.824	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-7.7	-174.8	-109.7	-4.8	0	0	0	114.4	A204	D202-A204 PolarHBondContact O-N 3.09Å
203	D	40.9	Very low	42.3	Very low	167 Å²	167	128 Å²	128	89%	0.893	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	20.6	-173.9	-133.6	-4.7	0	0	0	113.9	D201	D201-D203 VanDerWaalsContact C-N 3.33Å; D201-D203 PolarHBondContact O-N 3.25Å
204	A	39.8	Very low	40.6	Very low	84 Å²	84	129.5 Å²	129.5	69%	0.694	74%	0.741	S	S	*	*	S	Bend	trans	-153	71.9	179.4	0	0	0	0	0	116.6	D202	D202-A204 PolarHBondContact O-N 3.09Å
205	V	35.2	Very low	39.1	Very low	144 Å²	144	125.3 Å²	125.3	87%	0.873	74%	0.744	S	S	*	*				-178.5	127.4	127.8	145	0	0	0	0	111.9
206	S	33.7	Very low	37.7	Very low	111 Å²	111	126.9 Å²	126.9	78%	0.776	76%	0.762	S	S	*	*			trans	-88.3	131.4	176.9	174.2	0	0	0	0	112.9
207	C	32.4	Very low	37.2	Very low	109 Å²	109	128.4 Å²	128.4	74%	0.736	78%	0.778	S	S	*	*			trans	-160.8	127.3	143.6	-110.9	0	0	0	0	116.6
208	K	30.3	Very low	36.7	Very low	185 Å²	185	125.2 Å²	125.2	80%	0.804	77%	0.774	S	S	*	*			trans	68.3	80.5	147.4	-64.1	178.9	-178.4	173.6	0	119.9
209	S	33.4	Very low	36.2	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	78%	0.779	S	S	*	*			trans	-20.7	128.4	131	175.1	0	0	0	0	116
210	V	30.3	Very low	35.9	Very low	138 Å²	138	128.4 Å²	128.4	84%	0.836	79%	0.789	S	S	*	*			trans	-130	136.7	143.4	176.7	0	0	0	0	107.1
211	K	34.4	Very low	35.8	Very low	194 Å²	194	131 Å²	131	84%	0.843	80%	0.797	S	S	*	*			trans	-119	102.6	-166.1	-174.8	178	-178.8	175.4	0	112.8
212	T	33.4	Very low	35.7	Very low	137 Å²	137	127.2 Å²	127.2	84%	0.84	78%	0.781	S	S	*	*			trans	-144.6	135	166.1	49.4	0	0	0	0	109
213	G	27.2	Very low	35.6	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	78%	0.776	S	S	*	*			cis	164.2	82.2	-3.1	0	0	0	0	0	112.5
214	A	33.1	Very low	35.8	Very low	114 Å²	114	126.5 Å²	126.5	94%	0.942	77%	0.769	S	S	*	*			trans	67.1	139.6	-175.3	0	0	0	0	0	115.7
215	G	33.5	Very low	36.3	Very low	76 Å²	76	126.9 Å²	126.9	78%	0.784	76%	0.759	S	S	*	*			trans	142.7	93.4	173.7	0	0	0	0	0	114.6
216	D	28.8	Very low	36.9	Very low	153 Å²	153	125 Å²	125	82%	0.818	75%	0.748	S	S	*	*			trans	62.6	162.2	161.6	-136.4	-17.4	0	0	0	119.6
217	A	42.4	Very low	37.7	Very low	95 Å²	95	125 Å²	125	79%	0.785	74%	0.738	S	S	*	*			trans	-131	75.8	-175.3	0	0	0	0	0	111
218	I	40.5	Very low	39.2	Very low	127 Å²	127	120.5 Å²	120.5	65%	0.651	71%	0.708	S	S	*	*			trans	-105.7	112	171.9	-55.7	-179.4	0	0	0	108.3	E220	I218-E220 VanDerWaalsContact C-N 3.32Å; I218-E220 HydrophobicContact CG2-CG 3.76Å; I218-E220 PolarHBondContact O-N 3.41Å; I218-E220 VanDerWaalsContact O-N 3.09Å
219	A	38	Very low	40.8	Very low	93 Å²	93	114.7 Å²	114.7	77%	0.769	69%	0.694	S	S	*	*			trans	-77.3	87	165.7	0	0	0	0	0	108.5	Q221	A219-Q221 VanDerWaalsContact C-N 3.3Å; A219-Q221 PolarHBondContact O-N 3.03Å
220	E	39.1	Very low	42.7	Very low	174 Å²	174	114.4 Å²	114.4	81%	0.813	68%	0.681	S	S	*	*			trans	-67	90.4	169.7	-65.8	-167.8	146.3	0	0	109.1	I218 S222	I218-E220 VanDerWaalsContact C-N 3.32Å; I218-E220 HydrophobicContact CG2-CG 3.76Å; I218-E220 PolarHBondContact O-N 3.41Å; I218-E220 VanDerWaalsContact O-N 3.09Å; E220-S222 PolarHBondContact O-N 3.22Å
221	Q	40.9	Very low	45.1	Very low	187 Å²	187	113.8 Å²	113.8	87%	0.874	67%	0.667	S	S	*	*			trans	-66.1	113.1	164.4	-72	-175.8	-32.1	0	0	107.7	A219 M223	A219-Q221 VanDerWaalsContact C-N 3.3Å; A219-Q221 PolarHBondContact O-N 3.03Å; Q221-M223 PolarHBondContact O-N 3.2Å
222	S	39.4	Very low	47.4	Very low	49 Å²	49	106.9 Å²	106.9	34%	0.343	64%	0.639	S	S	.	*			trans	-52.9	126.1	179	131.3	0	0	0	0	110.1	E220 E224 D225	E220-S222 PolarHBondContact O-N 3.22Å; S222-E224 PolarHBondContact OG-N 3.49Å; S222-D225 WeakPolarHBondContact CB-OD2 3.5Å; S222-D225 VanDerWaalsContact OG-CG 3.32Å; S222-D225 PolarHBondContact OG-N 3Å; S222-D225 PolarHBondContact OG-OD2 2.91Å
223	M	41.3	Very low	49.6	Very low	148 Å²	148	107 Å²	107	73%	0.729	63%	0.629	S	S	*	*	H	α-helix	trans	-78.3	-11.9	171.3	-176.6	150	-84.7	0	0	111.5	Q221 I227	Q221-M223 PolarHBondContact O-N 3.2Å; M223-I227 HydrophobicContact CG-CD1 4.15Å; M223-I227 WeakPolarHBondContact O-CD1 3.48Å; M223-I227 WeakPolarHBondContact O-CG1 3.42Å
224	E	44.6	Very low	52.3	Low	158 Å²	158	111.3 Å²	111.3	74%	0.738	62%	0.624	S	S	*	*	H	α-helix	trans	-80.2	-29	-175.8	-57.7	-174.4	149.1	0	0	112	S222 S228	S222-E224 PolarHBondContact OG-N 3.49Å; E224-S228 VanDerWaalsContact O-CB 3.31Å; E224-S228 WeakPolarHBondContact O-CB 3.37Å; E224-S228 PolarHBondContact O-N 3.24Å
225	D	50	Low	54.8	Low	93 Å²	93	106.6 Å²	106.6	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-78.8	-33.6	177.5	-67.9	-56	0	0	0	113.4	R195 S222 S228 A229	R195-D225 IonicContact NH2-OD1 3.53Å; R195-D225 PolarHBondContact NH2-OD1 3.33Å; S222-D225 WeakPolarHBondContact CB-OD2 3.5Å; S222-D225 VanDerWaalsContact OG-CG 3.32Å; S222-D225 PolarHBondContact OG-N 3Å; S222-D225 PolarHBondContact OG-OD2 2.91Å; D225-S228 WeakPolarHBondContact O-CB 3.5Å; D225-S228 PolarHBondContact O-N 2.87Å; D225-A229 WeakPolarHBondContact O-CB 3.43Å; D225-A229 PolarHBondContact O-N 3.35Å
226	V	47.6	Very low	57.2	Low	103 Å²	103	109 Å²	109	62%	0.624	57%	0.571	S	S	*	*	H	α-helix	trans	-67.3	-45.2	178	-177.6	0	0	0	0	110.8	S228 A229 E230	V226-S228 VanDerWaalsContact C-N 3.27Å; V226-S228 PolarHBondContact O-N 3.47Å; V226-A229 PolarHBondContact O-N 2.93Å; V226-E230 PolarHBondContact O-N 3.02Å
227	I	51.6	Low	59.9	Low	113 Å²	113	103.5 Å²	103.5	58%	0.579	55%	0.545	S	S	*	.	H	α-helix	trans	-62.2	-38.8	175.5	-63.2	170.5	0	0	0	110.3	M223 F231	M223-I227 HydrophobicContact CG-CD1 4.15Å; M223-I227 WeakPolarHBondContact O-CD1 3.48Å; M223-I227 WeakPolarHBondContact O-CG1 3.42Å; I227-F231 WeakPolarHBondContact O-CB 3.33Å; I227-F231 PolarHBondContact O-N 3.48Å
228	S	62.6	Low	62.1	Low	14 Å²	14	102.6 Å²	102.6	10%	0.098	53%	0.526	C	S	.	.	H	α-helix	trans	-64.2	-47.8	175.2	172.6	0	0	0	0	113.2	R195 E224 D225 V226 E230 F231 I232	R195-S228 VanDerWaalsContact CZ-CB 3.5Å; R195-S228 PolarHBondContact NE-OG 2.98Å; R195-S228 PolarHBondContact NH1-OG 3.03Å; R195-S228 PolarHBondContact NH2-OG 3.14Å; E224-S228 VanDerWaalsContact O-CB 3.31Å; E224-S228 WeakPolarHBondContact O-CB 3.37Å; E224-S228 PolarHBondContact O-N 3.24Å; D225-S228 WeakPolarHBondContact O-CB 3.5Å; D225-S228 PolarHBondContact O-N 2.87Å; V226-S228 VanDerWaalsContact C-N 3.27Å; V226-S228 PolarHBondContact O-N 3.47Å; S228-E230 VanDerWaalsContact C-N 3.31Å; S228-E230 PolarHBondContact O-N 3.32Å; S228-F231 PolarHBondContact O-N 2.99Å; S228-I232 WeakPolarHBondContact O-CB 3.35Å; S228-I232 VanDerWaalsContact O-CG1 3.28Å; S228-I232 WeakPolarHBondContact O-CG1 3.43Å; S228-I232 PolarHBondContact O-N 2.82Å; S228-I232 WeakPolarHBondContact OG-CD1 3.13Å
229	A	65.1	Low	64.4	Low	62 Å²	62	97.4 Å²	97.4	51%	0.512	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-41.1	-179.1	0	0	0	0	0	111.6	D225 V226 H233	D225-A229 WeakPolarHBondContact O-CB 3.43Å; D225-A229 PolarHBondContact O-N 3.35Å; V226-A229 PolarHBondContact O-N 2.93Å; A229-H233 WeakPolarHBondContact O-CB 3.4Å; A229-H233 PolarHBondContact O-N 3.28Å
230	E	73.1	Confident	66.6	Low	104 Å²	104	98.8 Å²	98.8	49%	0.486	49%	0.491	S	S	.	.	H	α-helix	trans	-67.1	-43	174.6	-162.6	-172.1	151.2	0	0	111.9	V226 S228 H233 R234	V226-E230 PolarHBondContact O-N 3.02Å; S228-E230 VanDerWaalsContact C-N 3.31Å; S228-E230 PolarHBondContact O-N 3.32Å; E230-H233 PolarHBondContact O-N 3.14Å; E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 VanDerWaalsContact O-CG 3.31Å; E230-R234 WeakPolarHBondContact O-CG 3.32Å; E230-R234 PolarHBondContact O-N 2.97Å; E230-R234 IonicContact OE1-CZ 2.67Å; E230-R234 IonicContact OE1-NE 3.86Å; E230-R234 PolarHBondContact OE1-NE 3.15Å; E230-R234 IonicContact OE1-NH2 2.61Å; E230-R234 PolarHBondContact OE1-NH2 3.43Å
231	F	80.5	Confident	68.9	Low	124 Å²	124	98.2 Å²	98.2	54%	0.544	48%	0.481	S	S	.	.	H	α-helix	trans	-60	-46.6	175.6	176.9	-99.1	0	0	0	112.1	I227 S228 H233 R234 L235	I227-F231 WeakPolarHBondContact O-CB 3.33Å; I227-F231 PolarHBondContact O-N 3.48Å; S228-F231 PolarHBondContact O-N 2.99Å; F231-H233 VanDerWaalsContact C-N 3.33Å; F231-H233 PolarHBondContact O-N 2.59Å; F231-R234 PolarHBondContact O-N 2.82Å; F231-L235 HydrophobicContact CE1-CD2 3.94Å; F231-L235 HydrophobicContact CZ-CD2 4.19Å; F231-L235 WeakPolarHBondContact O-CB 3.47Å; F231-L235 PolarHBondContact O-N 2.9Å
232	I	81.9	Confident	71.1	Confident	49 Å²	49	89.7 Å²	89.7	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-62.1	-41	177.2	-69.3	165.4	0	0	0	110.7	L192 S228 L235 K236	L192-I232 HydrophobicContact CD2-CG2 4.02Å; S228-I232 WeakPolarHBondContact O-CB 3.35Å; S228-I232 VanDerWaalsContact O-CG1 3.28Å; S228-I232 WeakPolarHBondContact O-CG1 3.43Å; S228-I232 PolarHBondContact O-N 2.82Å; S228-I232 WeakPolarHBondContact OG-CD1 3.13Å; I232-L235 PolarHBondContact O-N 2.97Å; I232-K236 HydrophobicContact CG2-CD 4.11Å; I232-K236 WeakPolarHBondContact O-CB 3.44Å; I232-K236 WeakPolarHBondContact O-CG 3.28Å; I232-K236 PolarHBondContact O-N 3.4Å
233	H	81.3	Confident	73.2	Confident	140 Å²	140	92 Å²	92	65%	0.648	44%	0.444	S	S	*	.	H	α-helix	trans	-66.8	-41.6	176.7	-169.2	-77.4	0	0	0	112.1	A229 E230 F231 S237	A229-H233 WeakPolarHBondContact O-CB 3.4Å; A229-H233 PolarHBondContact O-N 3.28Å; E230-H233 PolarHBondContact O-N 3.14Å; F231-H233 VanDerWaalsContact C-N 3.33Å; F231-H233 PolarHBondContact O-N 2.59Å; H233-S237 WeakPolarHBondContact O-CB 3.4Å; H233-S237 PolarHBondContact O-N 3.46Å
234	R	83	Confident	75.3	Confident	162 Å²	162	91.5 Å²	91.5	61%	0.611	43%	0.434	S	S	*	.	H	α-helix	trans	-62.8	-44	174	-73.6	171.9	177.7	-97.9	5.2	111.5	E230 F231 S237 L238	E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 VanDerWaalsContact O-CG 3.31Å; E230-R234 WeakPolarHBondContact O-CG 3.32Å; E230-R234 PolarHBondContact O-N 2.97Å; E230-R234 IonicContact OE1-CZ 2.67Å; E230-R234 IonicContact OE1-NE 3.86Å; E230-R234 PolarHBondContact OE1-NE 3.15Å; E230-R234 IonicContact OE1-NH2 2.61Å; E230-R234 PolarHBondContact OE1-NH2 3.43Å; F231-R234 PolarHBondContact O-N 2.82Å; R234-S237 PolarHBondContact O-N 3.42Å; R234-L238 WeakPolarHBondContact O-CB 3.4Å; R234-L238 PolarHBondContact O-N 3.47Å
235	L	85.7	Confident	77.1	Confident	15 Å²	15	87.5 Å²	87.5	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-66.8	-42.8	179.1	-174.7	57.5	0	0	0	112.1	W188 A191 L192 F231 I232 S237 L238 L239	W188-L235 HydrophobicContact CB-CD1 4.01Å; W188-L235 HydrophobicContact CD2-CD1 4.5Å; W188-L235 HydrophobicContact CG-CD1 4.03Å; A191-L235 HydrophobicContact CB-CD2 4.16Å; L192-L235 HydrophobicContact CD1-CG 4.36Å; L192-L235 HydrophobicContact CD2-CB 4.28Å; L192-L235 HydrophobicContact CD2-CD2 3.81Å; L192-L235 HydrophobicContact CD2-CG 4.07Å; L192-L235 HydrophobicContact CG-CD2 3.8Å; L192-L235 HydrophobicContact CG-CG 4.08Å; F231-L235 HydrophobicContact CE1-CD2 3.94Å; F231-L235 HydrophobicContact CZ-CD2 4.19Å; F231-L235 WeakPolarHBondContact O-CB 3.47Å; F231-L235 PolarHBondContact O-N 2.9Å; I232-L235 PolarHBondContact O-N 2.97Å; L235-S237 PolarHBondContact O-N 2.82Å; L235-L238 HydrophobicContact CD1-CD2 4.46Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 2.94Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 PolarHBondContact O-N 3.4Å
236	K	84.6	Confident	78.5	Confident	125 Å²	125	84.8 Å²	84.8	54%	0.543	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-40.3	172.2	-73.9	178.7	178.8	-176	0	112.3	L192 I232 L239 Q240	L192-K236 HydrophobicContact CD1-CG 3.91Å; L192-K236 HydrophobicContact CD2-CG 3.87Å; I232-K236 HydrophobicContact CG2-CD 4.11Å; I232-K236 WeakPolarHBondContact O-CB 3.44Å; I232-K236 WeakPolarHBondContact O-CG 3.28Å; I232-K236 PolarHBondContact O-N 3.4Å; K236-L239 PolarHBondContact O-N 3.36Å; K236-Q240 WeakPolarHBondContact O-CB 3.34Å; K236-Q240 PolarHBondContact O-N 2.91Å
237	S	84.7	Confident	79.9	Confident	38 Å²	38	81.8 Å²	81.8	27%	0.266	39%	0.392	S	S	.	.	H	α-helix	trans	-68.5	-33.6	175.6	-167.8	0	0	0	0	112.5	H233 R234 L235 R241	H233-S237 WeakPolarHBondContact O-CB 3.4Å; H233-S237 PolarHBondContact O-N 3.46Å; R234-S237 PolarHBondContact O-N 3.42Å; L235-S237 PolarHBondContact O-N 2.82Å; S237-R241 VanDerWaalsContact O-CG 3.28Å; S237-R241 WeakPolarHBondContact O-CG 3.45Å; S237-R241 PolarHBondContact O-N 3.23Å
238	L	88.5	Confident	81.1	Confident	76 Å²	76	82.2 Å²	82.2	40%	0.398	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-49.2	172.9	-179.8	62.7	0	0	0	111	W188 R234 L235 Q240 R241 A242	W188-L238 HydrophobicContact CD2-CD2 4.44Å; W188-L238 HydrophobicContact CE3-CD2 4.18Å; W188-L238 HydrophobicContact CE3-CG 4.23Å; W188-L238 HydrophobicContact CH2-CD2 4Å; W188-L238 HydrophobicContact CH2-CG 4.27Å; W188-L238 HydrophobicContact CZ2-CD2 4.25Å; W188-L238 HydrophobicContact CZ3-CD1 4.48Å; W188-L238 HydrophobicContact CZ3-CD2 3.96Å; W188-L238 HydrophobicContact CZ3-CG 3.86Å; R234-L238 WeakPolarHBondContact O-CB 3.4Å; R234-L238 PolarHBondContact O-N 3.47Å; L235-L238 HydrophobicContact CD1-CD2 4.46Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 2.94Å; L238-Q240 VanDerWaalsContact C-N 3.33Å; L238-Q240 PolarHBondContact O-N 2.97Å; L238-R241 WeakPolarHBondContact O-CA 3.2Å; L238-R241 WeakPolarHBondContact O-CB 3.4Å; L238-R241 PolarHBondContact O-N 3.14Å; L238-A242 WeakPolarHBondContact O-CB 3.29Å; L238-A242 PolarHBondContact O-N 3.37Å
239	L	88.8	Confident	81.1	Confident	19 Å²	19	85.4 Å²	85.4	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-56.5	-45.1	176.4	-161.1	81.1	0	0	0	111.5	L185 W188 E189 L192 L235 K236 R241 A242 Y243	L185-L239 HydrophobicContact CD2-CD1 3.71Å; W188-L239 HydrophobicContact CB-CD1 3.95Å; W188-L239 HydrophobicContact CE3-CD1 4.38Å; E189-L239 HydrophobicContact CG-CD1 4.07Å; E189-L239 HydrophobicContact CG-CD2 4.08Å; L192-L239 HydrophobicContact CD1-CD2 4.2Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 PolarHBondContact O-N 3.4Å; K236-L239 PolarHBondContact O-N 3.36Å; L239-R241 PolarHBondContact O-N 3.33Å; L239-A242 PolarHBondContact O-N 2.95Å; L239-A242 VanDerWaalsContact O-N 3.11Å; L239-Y243 HydrophobicContact CD2-CE2 3.64Å; L239-Y243 HydrophobicContact CG-CD2 4.19Å; L239-Y243 HydrophobicContact CG-CE2 3.62Å; L239-Y243 WeakPolarHBondContact O-CD2 3.22Å; L239-Y243 PolarHBondContact O-N 2.86Å
240	Q	85.4	Confident	81.2	Confident	122 Å²	122	88 Å²	88	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-68.9	-14.3	176.8	-158	-161.5	7.2	0	0	114.3	K236 L238 R244	K236-Q240 WeakPolarHBondContact O-CB 3.34Å; K236-Q240 PolarHBondContact O-N 2.91Å; L238-Q240 VanDerWaalsContact C-N 3.33Å; L238-Q240 PolarHBondContact O-N 2.97Å; Q240-R244 PolarHBondContact O-NE 3.18Å; Q240-R244 PolarHBondContact O-NH2 3.39Å
241	R	86.4	Confident	80.4	Confident	162 Å²	162	85.6 Å²	85.6	61%	0.611	41%	0.408	S	S	*	.	H	α-helix	trans	-88	-41.3	167.7	-68.7	165	-171.9	-126.8	1.4	110.2	S237 L238 L239 R244 L245	S237-R241 VanDerWaalsContact O-CG 3.28Å; S237-R241 WeakPolarHBondContact O-CG 3.45Å; S237-R241 PolarHBondContact O-N 3.23Å; L238-R241 WeakPolarHBondContact O-CA 3.2Å; L238-R241 WeakPolarHBondContact O-CB 3.4Å; L238-R241 PolarHBondContact O-N 3.14Å; L239-R241 PolarHBondContact O-N 3.33Å; R241-R244 PolarHBondContact O-N 3.38Å; R241-L245 PolarHBondContact O-N 3.23Å
242	A	86.2	Confident	79.1	Confident	7 Å²	7	84.5 Å²	84.5	6%	0.058	41%	0.412	C	S	.	.	H	α-helix	trans	-66.4	-41.5	-177.9	0	0	0	0	0	113.2	F181 L185 W188 L238 L239 R244 L245 Q246	F181-A242 HydrophobicContact CE2-CB 4.47Å; F181-A242 HydrophobicContact CZ-CB 3.78Å; L185-A242 HydrophobicContact CD2-CB 3.54Å; W188-A242 HydrophobicContact CZ3-CB 3.99Å; L238-A242 WeakPolarHBondContact O-CB 3.29Å; L238-A242 PolarHBondContact O-N 3.37Å; L239-A242 PolarHBondContact O-N 2.95Å; L239-A242 VanDerWaalsContact O-N 3.11Å; A242-R244 VanDerWaalsContact C-N 3.31Å; A242-R244 PolarHBondContact O-N 3.12Å; A242-L245 WeakPolarHBondContact O-CB 3.32Å; A242-L245 PolarHBondContact O-N 3.03Å; A242-Q246 PolarHBondContact O-N 2.79Å
243	Y	84.6	Confident	77.7	Confident	97 Å²	97	86.5 Å²	86.5	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-64.8	-31	171.5	-65	-46.5	0	0	0	113.5	L185 E189 L239 Q246 G247	L185-Y243 HydrophobicContact CD1-CD1 4.11Å; L185-Y243 HydrophobicContact CD1-CE1 4.27Å; L185-Y243 HydrophobicContact CD2-CD1 4.16Å; L185-Y243 HydrophobicContact CD2-CE1 4.15Å; E189-Y243 PolarHBondContact OE1-OH 3Å; L239-Y243 HydrophobicContact CD2-CE2 3.64Å; L239-Y243 HydrophobicContact CG-CD2 4.19Å; L239-Y243 HydrophobicContact CG-CE2 3.62Å; L239-Y243 WeakPolarHBondContact O-CD2 3.22Å; L239-Y243 PolarHBondContact O-N 2.86Å; Y243-Q246 PolarHBondContact O-N 3.22Å; Y243-G247 PolarHBondContact O-N 3.23Å
244	R	84.8	Confident	76	Confident	139 Å²	139	82.5 Å²	82.5	53%	0.525	42%	0.419	S	S	.	.	H	α-helix	trans	-69.2	-43.6	173.8	-86.6	-176	-74.5	167.3	-4.9	110.8	Q240 R241 A242 Q246 G247 E248	Q240-R244 PolarHBondContact O-NE 3.18Å; Q240-R244 PolarHBondContact O-NH2 3.39Å; R241-R244 PolarHBondContact O-N 3.38Å; A242-R244 VanDerWaalsContact C-N 3.31Å; A242-R244 PolarHBondContact O-N 3.12Å; R244-Q246 VanDerWaalsContact C-N 3.29Å; R244-Q246 PolarHBondContact O-N 2.84Å; R244-G247 PolarHBondContact O-N 3.03Å; R244-E248 WeakPolarHBondContact O-CB 3.5Å; R244-E248 VanDerWaalsContact O-CG 3.3Å; R244-E248 WeakPolarHBondContact O-CG 3.28Å; R244-E248 PolarHBondContact O-N 3.21Å
245	L	83.3	Confident	74.1	Confident	73 Å²	73	82.6 Å²	82.6	38%	0.382	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-39.7	173.6	-167.1	67.2	0	0	0	111.7	F181 R241 A242 E248 F249	F181-L245 HydrophobicContact CZ-CD2 4.16Å; R241-L245 PolarHBondContact O-N 3.23Å; A242-L245 WeakPolarHBondContact O-CB 3.32Å; A242-L245 PolarHBondContact O-N 3.03Å; L245-E248 PolarHBondContact O-N 3.21Å; L245-F249 HydrophobicContact CD1-CD2 4.16Å; L245-F249 HydrophobicContact CD1-CE2 3.7Å; L245-F249 HydrophobicContact CD2-CE2 4.37Å; L245-F249 HydrophobicContact CG-CD2 3.91Å; L245-F249 HydrophobicContact CG-CE2 3.77Å; L245-F249 WeakPolarHBondContact O-CB 3.45Å; L245-F249 WeakPolarHBondContact O-CD2 3.43Å; L245-F249 PolarHBondContact O-N 3.4Å
246	Q	80	Confident	71.5	Confident	36 Å²	36	87 Å²	87	17%	0.168	46%	0.461	C	S	.	.	H	α-helix	trans	-59.2	-52.7	171.8	178.4	174.5	0	0	0	111.6	F181 A242 Y243 R244 E248 F249 E250	F181-Q246 HydrophobicContact CE1-CB 4.26Å; A242-Q246 PolarHBondContact O-N 2.79Å; Y243-Q246 PolarHBondContact O-N 3.22Å; R244-Q246 VanDerWaalsContact C-N 3.29Å; R244-Q246 PolarHBondContact O-N 2.84Å; Q246-E248 VanDerWaalsContact C-N 3.32Å; Q246-E248 PolarHBondContact O-N 3.33Å; Q246-F249 PolarHBondContact O-N 3.42Å; Q246-E250 HydrophobicContact CG-CG 4.33Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.31Å; Q246-E250 PolarHBondContact NE2-OE1 2.87Å; Q246-E250 WeakPolarHBondContact O-CG 3.33Å; Q246-E250 PolarHBondContact O-N 3.46Å
247	G	76.6	Confident	68.9	Low	40 Å²	40	89.9 Å²	89.9	41%	0.412	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-33.9	178.5	0	0	0	0	0	114.1	Y243 R244 F249 G251	Y243-G247 PolarHBondContact O-N 3.23Å; R244-G247 PolarHBondContact O-N 3.03Å; G247-F249 VanDerWaalsContact C-N 3.34Å; G247-G251 PolarHBondContact O-N 2.67Å; G247-G251 VanDerWaalsContact O-N 3.11Å
248	E	75.5	Confident	66.7	Low	122 Å²	122	93.4 Å²	93.4	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-39.8	171.4	-74.4	163.2	-153.9	0	0	111.3	R244 L245 Q246 V252	R244-E248 WeakPolarHBondContact O-CB 3.5Å; R244-E248 VanDerWaalsContact O-CG 3.3Å; R244-E248 WeakPolarHBondContact O-CG 3.28Å; R244-E248 PolarHBondContact O-N 3.21Å; L245-E248 PolarHBondContact O-N 3.21Å; Q246-E248 VanDerWaalsContact C-N 3.32Å; Q246-E248 PolarHBondContact O-N 3.33Å; E248-V252 WeakPolarHBondContact O-CG2 3.43Å
249	F	64.3	Low	63.8	Low	82 Å²	82	95.3 Å²	95.3	36%	0.36	52%	0.518	S	S	.	.	H	α-helix	trans	-79.1	-38.9	179.3	-85	-54.7	0	0	0	114.1	Y174 M178 L245 Q246 G247 G251 V252	Y174-F249 HydrophobicContact CE2-CD1 4.1Å; Y174-F249 WeakPolarHBondContact OH-CB 3.31Å; Y174-F249 PolarHBondContact OH-O 3.44Å; Y174-F249 VanDerWaalsContact OH-O 3.11Å; M178-F249 HydrophobicContact SD-CB 4.22Å; L245-F249 HydrophobicContact CD1-CD2 4.16Å; L245-F249 HydrophobicContact CD1-CE2 3.7Å; L245-F249 HydrophobicContact CD2-CE2 4.37Å; L245-F249 HydrophobicContact CG-CD2 3.91Å; L245-F249 HydrophobicContact CG-CE2 3.77Å; L245-F249 WeakPolarHBondContact O-CB 3.45Å; L245-F249 WeakPolarHBondContact O-CD2 3.43Å; L245-F249 PolarHBondContact O-N 3.4Å; Q246-F249 PolarHBondContact O-N 3.42Å; G247-F249 VanDerWaalsContact C-N 3.34Å; F249-G251 VanDerWaalsContact C-N 3.26Å; F249-G251 PolarHBondContact O-N 2.78Å; F249-V252 WeakPolarHBondContact O-CB 3.42Å; F249-V252 PolarHBondContact O-N 3.3Å
250	E	65.6	Low	60.9	Low	115 Å²	115	100 Å²	100	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-60	-38.8	171.6	-73.1	174.5	-169.5	0	0	111	Q246 V252 L253 G254	Q246-E250 HydrophobicContact CG-CG 4.33Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.31Å; Q246-E250 PolarHBondContact NE2-OE1 2.87Å; Q246-E250 WeakPolarHBondContact O-CG 3.33Å; Q246-E250 PolarHBondContact O-N 3.46Å; E250-V252 PolarHBondContact O-N 2.99Å; E250-L253 PolarHBondContact O-N 3.27Å; E250-G254 PolarHBondContact O-N 3.39Å; E250-G254 VanDerWaalsContact O-N 3.15Å
251	G	57.1	Low	58.3	Low	54 Å²	54	106 Å²	106	56%	0.557	57%	0.57	S	S	*	*	H	α-helix	trans	-61.1	-24.8	173.6	0	0	0	0	0	114.6	G247 F249	G247-G251 PolarHBondContact O-N 2.67Å; G247-G251 VanDerWaalsContact O-N 3.11Å; F249-G251 VanDerWaalsContact C-N 3.26Å; F249-G251 PolarHBondContact O-N 2.78Å
252	V	53.2	Low	55.4	Low	102 Å²	102	104 Å²	104	62%	0.618	58%	0.58	S	S	*	*	H	α-helix	trans	-78.8	-28.2	177.8	169.3	0	0	0	0	112.4	E248 F249 E250	E248-V252 WeakPolarHBondContact O-CG2 3.43Å; F249-V252 WeakPolarHBondContact O-CB 3.42Å; F249-V252 PolarHBondContact O-N 3.3Å; E250-V252 PolarHBondContact O-N 2.99Å
253	L	52.9	Low	52.6	Low	90 Å²	90	109.5 Å²	109.5	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-92.4	-15	175.3	-70.8	-164.4	0	0	0	114.6	Y174 L175 E250 M255	Y174-L253 HydrophobicContact CD1-CD1 3.8Å; Y174-L253 HydrophobicContact CE1-CD1 3.31Å; Y174-L253 HydrophobicContact CE1-CG 3.91Å; L175-L253 HydrophobicContact CD2-CD1 4.49Å; E250-L253 PolarHBondContact O-N 3.27Å; L253-M255 PolarHBondContact O-N 3.26Å
254	G	45.5	Very low	49.9	Very low	57 Å²	57	109.8 Å²	109.8	59%	0.588	64%	0.635	S	S	*	*			trans	-64.3	9.4	-178.8	0	0	0	0	0	117	E250	E250-G254 PolarHBondContact O-N 3.39Å; E250-G254 VanDerWaalsContact O-N 3.15Å
255	M	43.3	Very low	47.2	Very low	164 Å²	164	108.2 Å²	108.2	81%	0.808	65%	0.645	S	S	*	*			trans	-109.9	45.8	-176.2	-69	-90.9	71.1	0	0	113.2	L253	L253-M255 PolarHBondContact O-N 3.26Å
256	S	31.3	Very low	44.7	Very low	107 Å²	107	114.2 Å²	114.2	75%	0.748	67%	0.671	S	S	*	*			trans	-158.1	130.4	165.4	-71.7	0	0	0	0	108
257	E	28.5	Very low	42.1	Very low	185 Å²	185	115.5 Å²	115.5	86%	0.864	69%	0.694	S	S	*	*			cis	-129.1	166.5	12.3	-67	-174.5	114.1	0	0	112.7
258	P	39	Very low	39.9	Very low	113 Å²	113	122.6 Å²	122.6	73%	0.734	72%	0.716	S	S	*	*			trans	-83	143.6	168.5	33.2	-34.3	0	0	0	114.1
259	S	28.1	Very low	37.5	Very low	116 Å²	116	122.6 Å²	122.6	81%	0.811	73%	0.725	S	S	*	*			trans	77.4	119.1	154.7	78.4	0	0	0	0	120.6
260	S	27.8	Very low	35.8	Very low	118 Å²	118	123.2 Å²	123.2	83%	0.825	75%	0.745	S	S	*	*				-141.7	140.7	116	63.7	0	0	0	0	110.1
261	R	30.4	Very low	33.9	Very low	248 Å²	248	124.3 Å²	124.3	94%	0.936	76%	0.755	S	S	*	*			trans	-106.1	124.8	176.5	-66.8	168	72.8	177.5	4.8	108.2
262	S	26.3	Very low	32.5	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	76%	0.762	S	S	*	*			trans	-134.5	132.1	163.5	60	0	0	0	0	110
263	S	27.4	Very low	31.3	Very low	123 Å²	123	130.7 Å²	130.7	86%	0.86	77%	0.771	S	S	*	*			trans	-131.3	109.6	-171.1	56.9	0	0	0	0	112.1
264	S	26.1	Very low	30.3	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	78%	0.783	S	S	*	*			trans	-159.5	96.5	169.4	48.1	0	0	0	0	107.6
265	S	29.6	Very low	29.6	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	79%	0.79	S	S	*	*				83.6	101	73.8	70.4	0	0	0	0	114
266	Q	29.4	Very low	29	Very low	199 Å²	199	135.1 Å²	135.1	93%	0.93	78%	0.779	S	S	*	*			trans	75.3	114.2	138.4	-167.6	173.3	16.4	0	0	119.9
267	G	25.8	Very low	28.8	Very low	64 Å²	64	137.2 Å²	137.2	66%	0.66	78%	0.777	S	S	*	*			trans	160.9	118.4	150.9	0	0	0	0	0	116.6
268	Q	30.2	Very low	29.1	Very low	188 Å²	188	135.4 Å²	135.4	88%	0.879	77%	0.772	S	S	*	*			trans	67	152.9	152.4	-63.3	174	35	0	0	118.5
269	T	26	Very low	28.6	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	77%	0.773	S	S	*	*			cis	-178.7	147.7	-49.6	26.1	0	0	0	0	107.4
270	A	27.5	Very low	28.6	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	77%	0.766	S	S	*	*			trans	70.8	155.2	177.8	0	0	0	0	0	115
271	D	26	Very low	28.6	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	76%	0.763	S	S	*	*			cis	-146.7	167.9	6.5	-144.6	30.8	0	0	0	115
272	L	27.3	Very low	28.6	Very low	136 Å²	136	130.4 Å²	130.4	71%	0.712	75%	0.75	S	S	*	*			trans	-31.9	167.7	173.9	-50.6	170	0	0	0	119.3
273	L	29.8	Very low	28.9	Very low	153 Å²	153	131.2 Å²	131.2	80%	0.801	75%	0.75	S	S	*	*			cis	-174	139.6	-21.4	-103.8	179.3	0	0	0	110.4
274	A	31.1	Very low	29.3	Very low	88 Å²	88	135.7 Å²	135.7	73%	0.727	75%	0.748	S	S	*	*			trans	173	128.6	148.5	0	0	0	0	0	107.9
275	R	31	Very low	29.6	Very low	196 Å²	196	137.7 Å²	137.7	74%	0.74	75%	0.751	S	S	*	*				61.6	121.9	54.9	-57.9	-170.2	68	131.9	6.4	111.3
276	E	29.7	Very low	29.7	Very low	121 Å²	121	136.8 Å²	136.8	57%	0.565	74%	0.744	S	S	*	*			cis	-164.7	-177.4	10.8	-138.9	111.4	-111.9	0	0	108.5
277	E	28.5	Very low	30.1	Very low	151 Å²	151	135 Å²	135	71%	0.706	74%	0.739	S	S	*	*			cis	-160.4	134.2	5.3	-166.6	152.5	-127.2	0	0	111
278	L	33.7	Very low	30.5	Very low	146 Å²	146	137.6 Å²	137.6	76%	0.764	75%	0.748	S	S	*	*			trans	59.9	161.5	160.6	-62.9	170.9	0	0	0	120.2
279	D	28.7	Very low	31	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	75%	0.748	S	S	*	*			cis	-140.3	162.8	-0.2	-141.8	-20.8	0	0	0	114
280	D	27.9	Very low	31.3	Very low	125 Å²	125	135.1 Å²	135.1	67%	0.668	75%	0.745	S	S	*	*			trans	-88.5	157.5	-176.7	174.8	42.6	0	0	0	113.7	C282	D280-C282 PolarHBondContact OD1-N 3.25Å
281	V	29	Very low	31.6	Very low	126 Å²	126	136.9 Å²	136.9	76%	0.764	75%	0.752	S	S	*	*				-168.8	104.1	123	165.9	0	0	0	0	107.4	V283	V281-V283 HydrophobicContact CG1-CG2 3.95Å
282	C	30.5	Very low	32	Very low	98 Å²	98	137.1 Å²	137.1	66%	0.662	75%	0.754	S	S	*	*			trans	-100.9	123.8	163.2	-169.8	0	0	0	0	111	D280	D280-C282 PolarHBondContact OD1-N 3.25Å
283	V	32.5	Very low	32.3	Very low	135 Å²	135	137.7 Å²	137.7	82%	0.818	76%	0.757	S	S	*	*			trans	-109	107.6	169	-177.1	0	0	0	0	109.4	V281	V281-V283 HydrophobicContact CG1-CG2 3.95Å
284	R	36.2	Very low	32.8	Very low	218 Å²	218	136.7 Å²	136.7	82%	0.823	76%	0.763	S	S	*	*			trans	-133.6	109.7	172.8	175.1	-173	-71.1	178.2	-1.6	109.9
285	D	30.6	Very low	33	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	77%	0.769	S	S	*	*			trans	-171.6	149.5	157.7	-107.1	-27.8	0	0	0	108
286	S	32.9	Very low	33.3	Very low	85 Å²	85	138.5 Å²	138.5	59%	0.594	77%	0.77	S	S	*	*			cis	-158.4	163.3	-10.9	-140.4	0	0	0	0	110.9
287	I	37.2	Very low	33.8	Very low	161 Å²	161	138.2 Å²	138.2	83%	0.826	78%	0.782	S	S	*	*			trans	33.9	122.5	161.9	65.9	-175.4	0	0	0	121.8
288	S	33.9	Very low	34.3	Very low	120 Å²	120	136 Å²	136	84%	0.839	79%	0.79	S	S	*	*				-161.5	135.4	127.1	-169.7	0	0	0	0	110.8
289	I	41.5	Very low	34.8	Very low	173 Å²	173	133.3 Å²	133.3	89%	0.887	79%	0.788	S	S	*	*			trans	-129.8	101.6	176.4	-61.1	168.8	0	0	0	108.2
290	A	31.3	Very low	35.4	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	79%	0.794	S	S	*	*			trans	176.9	109.5	152.2	0	0	0	0	0	111.7
291	S	33.7	Very low	35.8	Very low	131 Å²	131	138.2 Å²	138.2	92%	0.916	81%	0.807	S	S	*	*			trans	-170.7	115.7	144.9	-80.8	0	0	0	0	108.7
292	N	35.2	Very low	36.1	Very low	145 Å²	145	136.5 Å²	136.5	78%	0.775	80%	0.801	S	S	*	*			trans	-98.3	167.9	170.8	-139.7	73.7	0	0	0	108.9
293	D	33.2	Very low	36.3	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	81%	0.813	S	S	*	*			trans	61.7	95.3	168.4	-54.5	-18.1	0	0	0	117.4
294	S	40.5	Very low	36.6	Very low	132 Å²	132	143.7 Å²	143.7	92%	0.923	82%	0.816	S	S	*	*				-139.4	152.7	129.2	-165.5	0	0	0	0	109.8
295	F	34.7	Very low	36.9	Very low	195 Å²	195	143.3 Å²	143.3	86%	0.855	81%	0.814	S	S	*	*			trans	-113.1	179.3	-158.5	-166.9	-106.7	0	0	0	112.2
296	V	38.6	Very low	37.2	Very low	127 Å²	127	143 Å²	143	77%	0.77	81%	0.813	S	S	*	*			trans	95.4	125.8	170.6	-172.4	0	0	0	0	116.3
297	S	40	Very low	37.6	Very low	116 Å²	116	147.6 Å²	147.6	81%	0.811	83%	0.829	S	S	*	*			trans	-80.3	143.1	177.9	-45.2	0	0	0	0	113.1
298	A	38.3	Very low	38.2	Very low	105 Å²	105	146.2 Å²	146.2	87%	0.868	81%	0.814	S	S	*	*			trans	-150	57	159.7	0	0	0	0	0	110
299	A	44.2	Very low	38.5	Very low	88 Å²	88	147.6 Å²	147.6	73%	0.727	81%	0.812	S	S	*	*			trans	-91.7	161.3	160.2	0	0	0	0	0	108.8
300	E	41.3	Very low	38.2	Very low	188 Å²	188	145.6 Å²	145.6	88%	0.879	81%	0.808	S	S	*	*	S	Bend	trans	74.4	143.9	-166.3	-53.4	175.4	-163.8	0	0	113.7
301	L	36.8	Very low	38.7	Very low	181 Å²	181	149.3 Å²	149.3	95%	0.948	81%	0.809	S	S	*	*	S	Bend	trans	76.4	48.9	-176.3	-52	-178	0	0	0	119.1
302	S	35	Very low	39.1	Very low	91 Å²	91	149.6 Å²	149.6	64%	0.636	81%	0.807	S	S	*	*			trans	-148.8	3.4	153.3	73.1	0	0	0	0	118.1	H304	S302-H304 PolarHBondContact O-N 3.07Å
303	E	34.2	Very low	39.8	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	35.5	-174.9	-59.7	-172.9	143.4	0	0	115.3
304	H	39.8	Very low	40.9	Very low	188 Å²	188	142.5 Å²	142.5	87%	0.87	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	18.3	-178.6	-134.6	-59.4	0	0	0	114.1	S302	S302-H304 PolarHBondContact O-N 3.07Å
305	R	42.9	Very low	42.2	Very low	210 Å²	210	143.3 Å²	143.3	79%	0.792	77%	0.768	S	S	*	*	S	Bend	trans	-122.8	-14.2	175.7	-87.8	-170.5	169	-152.1	-5.9	116	L307 R308	R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 3.12Å; R305-L307 VanDerWaalsContact O-N 3.14Å; R305-R308 WeakPolarHBondContact O-CB 3.4Å; R305-R308 PolarHBondContact O-N 2.97Å
306	D	35.9	Very low	44.5	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	15.8	-162.5	-58.6	-36.5	0	0	0	115.7
307	L	41.7	Very low	47	Very low	180 Å²	180	132.1 Å²	132.1	94%	0.942	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	1.6	161.5	-73.4	177.5	0	0	0	113.1	R305	R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 3.12Å; R305-L307 VanDerWaalsContact O-N 3.14Å
308	R	49	Very low	49.5	Very low	133 Å²	133	127.3 Å²	127.3	50%	0.502	68%	0.68	S	S	.	*	S	Bend	trans	-111.1	58.8	-172.8	-157	-172.6	-154.2	-137.9	13.8	113.1	R305 E320	R305-R308 WeakPolarHBondContact O-CB 3.4Å; R305-R308 PolarHBondContact O-N 2.97Å; R308-E320 IonicContact CZ-OE2 3.9Å; R308-E320 IonicContact NH1-OE2 2.8Å; R308-E320 PolarHBondContact NH1-OE2 3.34Å; R308-E320 IonicContact NH2-OE2 3.62Å
309	N	40.2	Very low	52.2	Low	148 Å²	148	124 Å²	124	79%	0.791	65%	0.645	S	S	*	*			trans	-172.2	94.2	157.2	-97.9	-26.7	0	0	0	113.8
310	T	36.2	Very low	54.5	Low	131 Å²	131	122.4 Å²	122.4	80%	0.804	62%	0.623	S	S	*	*	S	Bend	trans	-140.2	18.3	160	-17.8	0	0	0	0	114.3
311	F	41.2	Very low	57	Low	164 Å²	164	119 Å²	119	72%	0.719	61%	0.607	S	S	*	*			trans	-136.9	130.3	168.3	-71.4	-76.6	0	0	0	110.3	L313	F311-L313 HydrophobicContact CB-CD1 4.06Å; F311-L313 PolarHBondContact O-N 2.98Å
312	P	42.5	Very low	59.7	Low	136 Å²	136	110.4 Å²	110.4	88%	0.883	56%	0.562	S	S	*	*			trans	-80.9	53.5	172.4	36	-35.8	0	0	0	110.8
313	L	49.7	Very low	62.6	Low	98 Å²	98	107.3 Å²	107.3	51%	0.513	54%	0.538	S	S	.	.			trans	-75.3	162.6	172.1	-107.9	72.7	0	0	0	110.8	F311 L538	F311-L313 HydrophobicContact CB-CD1 4.06Å; F311-L313 PolarHBondContact O-N 2.98Å; L313-L538 HydrophobicContact CD2-CD1 4.33Å
314	G	57.3	Low	65.4	Low	45 Å²	45	103.1 Å²	103.1	46%	0.464	52%	0.518	S	S	.	.			trans	-58.8	150.2	-176.2	0	0	0	0	0	113.4	H316	G314-H316 PolarHBondContact O-CD2 3.05Å; G314-H316 PolarHBondContact O-N 3.46Å
315	H	66.3	Low	67.9	Low	149 Å²	149	96 Å²	96	69%	0.69	49%	0.486	S	S	*	.			trans	-73.8	103.9	172.9	-150.6	37	0	0	0	108.6	P317 E320 S544	H315-P317 WeakPolarHBondContact O-CD 3.45Å; H315-E320 IonicContact CE1-OE1 3.9Å; H315-E320 IonicContact ND1-OE1 3.86Å; H315-E320 PolarHBondContact ND1-OE1 2.96Å; H315-S544 PolarHBondContact O-OG 3.08Å
316	H	84.7	Confident	70.3	Confident	24 Å²	24	86.2 Å²	86.2	11%	0.111	45%	0.451	C	S	.	.			trans	-113.3	63.8	-175	-65.2	-64.4	0	0	0	110.3	G314 F318 Y319 E320 Y543	G314-H316 PolarHBondContact O-CD2 3.05Å; G314-H316 PolarHBondContact O-N 3.46Å; H316-F318 PolarHBondContact O-N 3.18Å; H316-Y319 PolarHBondContact O-N 2.96Å; H316-E320 WeakPolarHBondContact O-CG 3.32Å; H316-E320 PolarHBondContact O-N 2.73Å; H316-Y543 CarbonylContact C-O 3.59Å; H316-Y543 VanDerWaalsContact CA-O 3.28Å; H316-Y543 WeakPolarHBondContact CA-O 3.34Å; H316-Y543 WeakPolarHBondContact CB-O 3.35Å
317	P	89.4	Confident	73	Confident	63 Å²	63	85.4 Å²	85.4	41%	0.409	44%	0.442	S	S	.	.	H	α-helix	trans	-58.6	-27.6	-170.7	24.6	-35.9	0	0	0	113.2	H315 E320 E321	H315-P317 WeakPolarHBondContact O-CD 3.45Å; P317-E320 PolarHBondContact O-N 2.87Å; P317-E321 WeakPolarHBondContact O-CB 2.89Å; P317-E321 PolarHBondContact O-N 2.85Å
318	F	92.8	Very high	75.5	Confident	15 Å²	15	81 Å²	81	7%	0.066	42%	0.417	C	S	.	.	H	α-helix	trans	-71.6	-37.6	176.4	-178.4	-132.7	0	0	0	113	H316 A322 C355 Q358 V546 L549	H316-F318 PolarHBondContact O-N 3.18Å; F318-A322 WeakPolarHBondContact O-CB 3.06Å; F318-A322 PolarHBondContact O-N 2.79Å; F318-C355 HydrophobicContact CD1-CB 4.02Å; F318-C355 HydrophobicContact CE1-CB 3.43Å; F318-C355 VanDerWaalsContact CE1-CB 3.43Å; F318-C355 VanDerWaalsContact CE1-SG 3.53Å; F318-C355 HydrophobicContact CZ-CB 3.82Å; F318-C355 PolarHBondContact O-SG 2.83Å; F318-C355 VanDerWaalsContact O-SG 3.36Å; F318-Q358 HydrophobicContact CZ-CB 4.05Å; F318-Q358 HydrophobicContact CZ-CG 4.34Å; F318-V546 HydrophobicContact CD2-CG2 4.39Å; F318-V546 HydrophobicContact CE1-CG2 4.07Å; F318-V546 HydrophobicContact CE2-CG2 3.77Å; F318-V546 HydrophobicContact CZ-CB 4.44Å; F318-V546 HydrophobicContact CZ-CG2 3.59Å; F318-L549 HydrophobicContact CE1-CD2 4.04Å
319	Y	94.4	Very high	77.5	Confident	35 Å²	35	77.5 Å²	77.5	14%	0.137	42%	0.423	C	S	.	.	H	α-helix	trans	-68.5	-39.3	168.6	165.7	-99.1	0	0	0	111.4	H316 E321 A322 L323 D348 A351 K352	H316-Y319 PolarHBondContact O-N 2.96Å; Y319-E321 PolarHBondContact O-N 3.44Å; Y319-A322 PolarHBondContact O-N 2.91Å; Y319-L323 HydrophobicContact CE1-CD2 4.33Å; Y319-L323 WeakPolarHBondContact O-CB 3.29Å; Y319-L323 PolarHBondContact O-N 3.43Å; Y319-D348 WeakPolarHBondContact CE2-OD1 3.45Å; Y319-D348 PolarHBondContact OH-OD1 3.4Å; Y319-A351 HydrophobicContact CD2-CB 4.03Å; Y319-A351 HydrophobicContact CE2-CB 3.76Å; Y319-K352 HydrophobicContact CD2-CG 4.11Å; Y319-K352 HydrophobicContact CE2-CG 4.06Å
320	E	93.1	Very high	79.8	Confident	55 Å²	55	77 Å²	77	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-40.7	178	-64.1	-178	-143.1	0	0	112.8	R308 H315 H316 P317 L323 Q324	R308-E320 IonicContact CZ-OE2 3.9Å; R308-E320 IonicContact NH1-OE2 2.8Å; R308-E320 PolarHBondContact NH1-OE2 3.34Å; R308-E320 IonicContact NH2-OE2 3.62Å; H315-E320 IonicContact CE1-OE1 3.9Å; H315-E320 IonicContact ND1-OE1 3.86Å; H315-E320 PolarHBondContact ND1-OE1 2.96Å; H316-E320 WeakPolarHBondContact O-CG 3.32Å; H316-E320 PolarHBondContact O-N 2.73Å; P317-E320 PolarHBondContact O-N 2.87Å; E320-L323 PolarHBondContact O-N 3.3Å; E320-Q324 PolarHBondContact O-N 2.95Å
321	E	93.6	Very high	82.5	Confident	118 Å²	118	71.5 Å²	71.5	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-64	-42.3	173.2	-171.3	-174.5	172.8	0	0	111.6	P317 Y319 L323 Q324 M325	P317-E321 WeakPolarHBondContact O-CB 2.89Å; P317-E321 PolarHBondContact O-N 2.85Å; Y319-E321 PolarHBondContact O-N 3.44Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-Q324 PolarHBondContact O-N 3.36Å; E321-M325 HydrophobicContact CG-CE 4.25Å; E321-M325 PolarHBondContact O-N 3.16Å; E321-M325 VanDerWaalsContact O-N 3.14Å
322	A	94.3	Very high	84.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-68.9	-30.9	177.4	0	0	0	0	0	113.3	F318 Y319 M325 A326 I331 A351 H354 C355	F318-A322 WeakPolarHBondContact O-CB 3.06Å; F318-A322 PolarHBondContact O-N 2.79Å; Y319-A322 PolarHBondContact O-N 2.91Å; A322-M325 PolarHBondContact O-N 3.16Å; A322-A326 PolarHBondContact O-N 3.2Å; A322-I331 VanDerWaalsContact O-CD1 3.29Å; A322-I331 WeakPolarHBondContact O-CD1 3.41Å; A322-A351 HydrophobicContact CB-CB 4.19Å; A322-A351 WeakPolarHBondContact CB-O 3.14Å; A322-H354 HydrophobicContact CB-CB 4.38Å; A322-C355 WeakPolarHBondContact CB-SG 3.43Å
323	L	94.8	Very high	87	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-44.6	174.7	-171.9	67.6	0	0	0	111.1	Y319 E320 E321 M325 A326 E327 L347 A351	Y319-L323 HydrophobicContact CE1-CD2 4.33Å; Y319-L323 WeakPolarHBondContact O-CB 3.29Å; Y319-L323 PolarHBondContact O-N 3.43Å; E320-L323 PolarHBondContact O-N 3.3Å; E321-L323 VanDerWaalsContact C-N 3.35Å; L323-M325 VanDerWaalsContact C-N 3.28Å; L323-M325 PolarHBondContact O-N 2.84Å; L323-A326 WeakPolarHBondContact O-CA 3.39Å; L323-A326 WeakPolarHBondContact O-CB 3.33Å; L323-A326 PolarHBondContact O-N 3.17Å; L323-E327 WeakPolarHBondContact O-CG 3.35Å; L323-E327 PolarHBondContact O-N 3.21Å; L323-L347 HydrophobicContact CD1-CB 4.23Å; L323-A351 HydrophobicContact CB-CB 4.09Å; L323-A351 HydrophobicContact CD1-CB 4.04Å
324	Q	94.1	Very high	88.8	Confident	107 Å²	107	58.1 Å²	58.1	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-41.5	171.9	-173.4	-175.9	-30	0	0	111.1	E320 E321 A326 E327 E328	E320-Q324 PolarHBondContact O-N 2.95Å; E321-Q324 PolarHBondContact O-N 3.36Å; Q324-A326 VanDerWaalsContact C-N 3.26Å; Q324-A326 PolarHBondContact O-N 3.04Å; Q324-E327 PolarHBondContact O-N 2.69Å; Q324-E328 HydrophobicContact CG-CG 4.35Å; Q324-E328 PolarHBondContact NE2-OE1 3.02Å; Q324-E328 WeakPolarHBondContact O-CB 3.24Å; Q324-E328 WeakPolarHBondContact O-CG 3.37Å; Q324-E328 PolarHBondContact O-N 3.06Å
325	M	92.1	Very high	90.4	Very high	38 Å²	38	58.5 Å²	58.5	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-21.6	175.3	-71.9	-169.8	-72.7	0	0	114.2	E321 A322 L323 K330 I331 H354	E321-M325 HydrophobicContact CG-CE 4.25Å; E321-M325 PolarHBondContact O-N 3.16Å; E321-M325 VanDerWaalsContact O-N 3.14Å; A322-M325 PolarHBondContact O-N 3.16Å; L323-M325 VanDerWaalsContact C-N 3.28Å; L323-M325 PolarHBondContact O-N 2.84Å; M325-K330 HydrophobicContact CG-CD 4.33Å; M325-K330 WeakPolarHBondContact O-CB 3.28Å; M325-K330 PolarHBondContact O-N 2.96Å; M325-I331 HydrophobicContact CB-CD1 3.85Å; M325-I331 HydrophobicContact CB-CG1 4.16Å; M325-H354 VanDerWaalsContact CE-NE2 3.32Å; M325-H354 WeakPolarHBondContact CE-NE2 3.1Å
326	A	93.2	Very high	91.6	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-77.7	-46.1	172.7	0	0	0	0	0	110.9	A322 L323 Q324 E328 G329 I331 L347 L350	A322-A326 PolarHBondContact O-N 3.2Å; L323-A326 WeakPolarHBondContact O-CA 3.39Å; L323-A326 WeakPolarHBondContact O-CB 3.33Å; L323-A326 PolarHBondContact O-N 3.17Å; Q324-A326 VanDerWaalsContact C-N 3.26Å; Q324-A326 PolarHBondContact O-N 3.04Å; A326-E328 VanDerWaalsContact C-N 3.31Å; A326-E328 PolarHBondContact O-N 3.31Å; A326-G329 WeakPolarHBondContact O-CA 3.42Å; A326-G329 PolarHBondContact O-N 3.17Å; A326-I331 HydrophobicContact CB-CD1 4.04Å; A326-L347 HydrophobicContact CB-CD2 4.07Å; A326-L350 HydrophobicContact CB-CB 3.96Å
327	E	93.3	Very high	92	Very high	124 Å²	124	54.5 Å²	54.5	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-58.8	-40.4	174.2	-67.9	166.9	-179	0	0	111.8	L323 Q324 G329 L347	L323-E327 WeakPolarHBondContact O-CG 3.35Å; L323-E327 PolarHBondContact O-N 3.21Å; Q324-E327 PolarHBondContact O-N 2.69Å; E327-G329 PolarHBondContact O-N 2.85Å; E327-L347 HydrophobicContact CG-CD1 4.39Å
328	E	93.2	Very high	92.2	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.402	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	2.5	174	-68.4	170.5	160.9	0	0	113.9	Q324 A326 K330	Q324-E328 HydrophobicContact CG-CG 4.35Å; Q324-E328 PolarHBondContact NE2-OE1 3.02Å; Q324-E328 WeakPolarHBondContact O-CB 3.24Å; Q324-E328 WeakPolarHBondContact O-CG 3.37Å; Q324-E328 PolarHBondContact O-N 3.06Å; A326-E328 VanDerWaalsContact C-N 3.31Å; A326-E328 PolarHBondContact O-N 3.31Å; E328-K330 HydrophobicContact CB-CD 4.09Å; E328-K330 HydrophobicContact CB-CG 4.1Å; E328-K330 PolarHBondContact O-N 2.67Å; E328-K330 IonicContact OE1-NZ 3.78Å; E328-K330 WeakPolarHBondContact OE2-CD 3.38Å; E328-K330 WeakPolarHBondContact OE2-CE 3.09Å; E328-K330 IonicContact OE2-NZ 3.75Å; E328-K330 PolarHBondContact OE2-NZ 2.95Å
329	G	90.3	Very high	92.1	Very high	61 Å²	61	60.3 Å²	60.3	63%	0.629	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	12.1	177.2	0	0	0	0	0	115.3	A326 E327 I331	A326-G329 WeakPolarHBondContact O-CA 3.42Å; A326-G329 PolarHBondContact O-N 3.17Å; E327-G329 PolarHBondContact O-N 2.85Å; G329-I331 VanDerWaalsContact C-N 3.33Å; G329-I331 PolarHBondContact O-N 3.35Å
330	K	90.3	Very high	92	Very high	137 Å²	137	61.5 Å²	61.5	60%	0.596	32%	0.317	S	S	*	.			trans	-75.7	-21.5	-174.6	-64.8	172.3	178.3	167.9	0	113	M325 E328	M325-K330 HydrophobicContact CG-CD 4.33Å; M325-K330 WeakPolarHBondContact O-CB 3.28Å; M325-K330 PolarHBondContact O-N 2.96Å; E328-K330 HydrophobicContact CB-CD 4.09Å; E328-K330 HydrophobicContact CB-CG 4.1Å; E328-K330 PolarHBondContact O-N 2.67Å; E328-K330 IonicContact OE1-NZ 3.78Å; E328-K330 WeakPolarHBondContact OE2-CD 3.38Å; E328-K330 WeakPolarHBondContact OE2-CE 3.09Å; E328-K330 IonicContact OE2-NZ 3.75Å; E328-K330 PolarHBondContact OE2-NZ 2.95Å
331	I	91.4	Very high	92	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.077	31%	0.306	C	S	.	.			trans	-96.8	124	-176.3	-56.8	163.9	0	0	0	110.1	A322 M325 A326 G329 L350 H354	A322-I331 VanDerWaalsContact O-CD1 3.29Å; A322-I331 WeakPolarHBondContact O-CD1 3.41Å; M325-I331 HydrophobicContact CB-CD1 3.85Å; M325-I331 HydrophobicContact CB-CG1 4.16Å; A326-I331 HydrophobicContact CB-CD1 4.04Å; G329-I331 VanDerWaalsContact C-N 3.33Å; G329-I331 PolarHBondContact O-N 3.35Å; I331-L350 HydrophobicContact CB-CB 4.46Å; I331-L350 HydrophobicContact CG2-CB 4.23Å; I331-L350 HydrophobicContact CG2-CD2 4.04Å; I331-H354 HydrophobicContact CD1-CB 3.48Å; I331-H354 VanDerWaalsContact CD1-CB 3.48Å; I331-H354 HydrophobicContact CG1-CB 3.96Å; I331-H354 HydrophobicContact CG2-CB 4.17Å
332	S	88.9	Confident	92.1	Very high	37 Å²	37	59.7 Å²	59.7	26%	0.259	31%	0.309	S	S	.	.			trans	-114.6	146.6	176.6	44.1	0	0	0	0	112.3	R357 H426	S332-R357 VanDerWaalsContact O-CZ 3.29Å; S332-R357 PolarHBondContact O-NH1 3.09Å; S332-R357 PolarHBondContact O-NH2 2.7Å; S332-H426 PolarHBondContact OG-NE2 3.4Å
333	C	89.7	Confident	92	Very high	31 Å²	31	60.4 Å²	60.4	21%	0.209	31%	0.314	C	S	.	.			trans	-122.5	171.9	172.8	63.7	0	0	0	0	110.8	F349 L350 L353	C333-F349 HydrophobicContact CB-CE1 4.23Å; C333-L350 HydrophobicContact CB-CD2 4.14Å; C333-L353 HydrophobicContact CB-CD2 3.76Å
334	R	88.3	Confident	91.8	Very high	49 Å²	49	66.7 Å²	66.7	19%	0.185	35%	0.347	C	S	.	.	S	Bend	trans	-87.9	-44	168.4	-175.1	-179.5	77.1	-71.7	-21.1	110.9	G423 D435 D440	R334-G423 WeakPolarHBondContact CG-O 3.39Å; R334-D435 IonicContact CZ-OD1 3.87Å; R334-D435 IonicContact CZ-OD2 2.83Å; R334-D435 IonicContact NH1-OD1 2.64Å; R334-D435 IonicContact NH1-OD2 3.55Å; R334-D435 PolarHBondContact NH1-OD2 3.25Å; R334-D435 IonicContact NH2-OD1 2.79Å; R334-D435 PolarHBondContact NH2-OD1 3.3Å; R334-D435 IonicContact NH2-OD2 3.61Å; R334-D435 PolarHBondContact NH2-OD2 3.05Å; R334-D440 IonicContact CZ-OD1 2.94Å; R334-D440 IonicContact CZ-OD2 2.69Å; R334-D440 IonicContact NE-OD2 2.72Å; R334-D440 PolarHBondContact NE-OD2 3.1Å; R334-D440 IonicContact NH2-OD1 3.79Å; R334-D440 PolarHBondContact NH2-OD1 2.76Å; R334-D440 IonicContact NH2-OD2 2.96Å; R334-D440 PolarHBondContact NH2-OD2 2.9Å
335	V	89.9	Confident	91.8	Very high	53 Å²	53	62.9 Å²	62.9	32%	0.321	34%	0.336	S	S	.	.	S	Bend	trans	-137.6	141.4	179.6	-171.5	0	0	0	0	107.6
336	L	92.2	Very high	91.9	Very high	82 Å²	82	65 Å²	65	43%	0.429	35%	0.348	S	S	.	.			trans	-77.9	121.3	169	-69.9	164	0	0	0	108.2	D346 F349	L336-D346 HydrophobicContact CD1-CB 4.48Å; L336-D346 HydrophobicContact CD2-CB 4.04Å; L336-F349 HydrophobicContact CD2-CD1 3.72Å; L336-F349 HydrophobicContact CD2-CE1 3.97Å
337	R	93	Very high	92	Very high	7 Å²	7	68.7 Å²	68.7	3%	0.026	37%	0.367	C	S	.	.			trans	-103	15.7	-178.7	-59.8	-55.3	-166.3	175	5.9	112.6	E339 I340 L341 F349 D435 D440 E443	R337-E339 PolarHBondContact O-N 3.48Å; R337-I340 PolarHBondContact O-N 2.74Å; R337-I340 VanDerWaalsContact O-N 3.12Å; R337-L341 HydrophobicContact CB-CD1 3.72Å; R337-L341 HydrophobicContact CB-CG 3.95Å; R337-L341 WeakPolarHBondContact O-CG 3.47Å; R337-L341 PolarHBondContact O-N 2.98Å; R337-F349 HydrophobicContact CB-CD2 4.46Å; R337-F349 HydrophobicContact CB-CE2 3.76Å; R337-F349 HydrophobicContact CB-CZ 3.91Å; R337-F349 HydrophobicContact CG-CE2 4.46Å; R337-F349 HydrophobicContact CG-CZ 4.23Å; R337-D435 IonicContact CZ-OD1 3.15Å; R337-D435 IonicContact NE-OD1 2.78Å; R337-D435 PolarHBondContact NE-OD1 3.42Å; R337-D435 IonicContact NH2-OD1 2.87Å; R337-D440 IonicContact CZ-OD1 3.18Å; R337-D440 IonicContact NH2-OD1 3.89Å; R337-D440 PolarHBondContact NH2-OD1 2.91Å; R337-E443 IonicContact CZ-OE1 2.82Å; R337-E443 IonicContact CZ-OE2 3.43Å; R337-E443 VanDerWaalsContact CZ-OE2 3.26Å; R337-E443 IonicContact NH1-OE1 2.8Å; R337-E443 PolarHBondContact NH1-OE1 3.26Å; R337-E443 IonicContact NH1-OE2 2.67Å; R337-E443 PolarHBondContact NH1-OE2 3.05Å; R337-E443 IonicContact NH2-OE1 2.58Å; R337-E443 IonicContact NH2-OE2 3.63Å; R337-E443 PolarHBondContact NH2-OE2 3.42Å
338	T	92.8	Very high	92	Very high	17 Å²	17	63.1 Å²	63.1	10%	0.104	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-53.8	-168.5	-45.1	0	0	0	0	114	E342 C343 D346 F349	T338-E342 PolarHBondContact O-N 3.46Å; T338-C343 HydrophobicContact CG2-CB 3.95Å; T338-C343 PolarHBondContact O-N 2.98Å; T338-D346 WeakPolarHBondContact CB-OD1 3.47Å; T338-D346 PolarHBondContact OG1-OD1 2.94Å; T338-F349 HydrophobicContact CG2-CB 4.35Å
339	E	92.3	Very high	92.2	Very high	183 Å²	183	59 Å²	59	86%	0.855	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-44.3	179.2	-63.6	-175.3	-172.2	0	0	112.7	R337 L341 E342	R337-E339 PolarHBondContact O-N 3.48Å; E339-L341 VanDerWaalsContact C-N 3.28Å; E339-L341 PolarHBondContact O-N 3.15Å; E339-E342 PolarHBondContact O-N 3.31Å
340	I	91.6	Very high	92.4	Very high	61 Å²	61	57.3 Å²	57.3	31%	0.313	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.9	-174.4	-57.5	172.4	0	0	0	111.2	R337 M439 L529 K533	R337-I340 PolarHBondContact O-N 2.74Å; R337-I340 VanDerWaalsContact O-N 3.12Å; I340-M439 HydrophobicContact CD1-CE 4.29Å; I340-M439 HydrophobicContact CG2-CE 3.67Å; I340-L529 HydrophobicContact CG2-CD2 4.42Å; I340-K533 WeakPolarHBondContact O-CE 3.43Å
341	L	93.9	Very high	92.7	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	12.1	178.3	-57.2	-175.9	0	0	0	113.5	R337 E339 C343 F349 Y430 L532 F536	R337-L341 HydrophobicContact CB-CD1 3.72Å; R337-L341 HydrophobicContact CB-CG 3.95Å; R337-L341 WeakPolarHBondContact O-CG 3.47Å; R337-L341 PolarHBondContact O-N 2.98Å; E339-L341 VanDerWaalsContact C-N 3.28Å; E339-L341 PolarHBondContact O-N 3.15Å; L341-C343 PolarHBondContact O-N 2.89Å; L341-C343 VanDerWaalsContact O-N 3.08Å; L341-C343 PolarHBondContact O-SG 3.5Å; L341-F349 HydrophobicContact CD1-CD2 4.11Å; L341-F349 HydrophobicContact CD1-CE2 3.77Å; L341-Y430 WeakPolarHBondContact CD1-OH 3.47Å; L341-L532 HydrophobicContact CD2-CB 3.69Å; L341-F536 HydrophobicContact CB-CB 4.41Å; L341-F536 HydrophobicContact CB-CG 4.39Å; L341-F536 HydrophobicContact CD1-CD1 4.03Å; L341-F536 HydrophobicContact CD1-CD2 4.06Å; L341-F536 HydrophobicContact CD1-CE1 3.98Å; L341-F536 HydrophobicContact CD1-CE2 4.02Å; L341-F536 HydrophobicContact CD1-CG 4.08Å; L341-F536 HydrophobicContact CD1-CZ 3.98Å
342	E	94	Very high	92.9	Very high	130 Å²	130	50.5 Å²	50.5	61%	0.607	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	33.7	173.1	-66.1	167.4	165.9	0	0	113.2	T338 E339 K533	T338-E342 PolarHBondContact O-N 3.46Å; E339-E342 PolarHBondContact O-N 3.31Å; E342-K533 VanDerWaalsContact CD-CE 3.49Å; E342-K533 IonicContact OE1-NZ 3.76Å; E342-K533 PolarHBondContact OE1-NZ 3.44Å; E342-K533 VanDerWaalsContact OE2-CD 3.32Å; E342-K533 WeakPolarHBondContact OE2-CD 3.22Å; E342-K533 WeakPolarHBondContact OE2-CE 3.49Å; E342-K533 IonicContact OE2-NZ 3.89Å; E342-K533 PolarHBondContact OE2-NZ 2.81Å
343	C	93.2	Very high	93.3	Very high	16 Å²	16	48.8 Å²	48.8	11%	0.108	26%	0.256	C	S	.	.			trans	-79.5	150.9	178.2	-63.7	0	0	0	0	111.1	T338 L341 G345 D348 F349	T338-C343 HydrophobicContact CG2-CB 3.95Å; T338-C343 PolarHBondContact O-N 2.98Å; L341-C343 PolarHBondContact O-N 2.89Å; L341-C343 VanDerWaalsContact O-N 3.08Å; L341-C343 PolarHBondContact O-SG 3.5Å; C343-G345 PolarHBondContact O-N 3.48Å; C343-D348 WeakPolarHBondContact CA-OD2 3.42Å; C343-D348 WeakPolarHBondContact CB-OD2 3.47Å; C343-F349 HydrophobicContact CB-CB 4Å
344	L	91.1	Very high	93.5	Very high	157 Å²	157	49.3 Å²	49.3	82%	0.822	26%	0.255	S	S	*	.	S	Bend	trans	-69.8	-18	-176	-61.3	177.2	0	0	0	113.6	D348	L344-D348 HydrophobicContact CB-CB 4.18Å; L344-D348 PolarHBondContact N-OD2 3.32Å
345	G	93.3	Very high	93.9	Very high	27 Å²	27	47 Å²	47	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	170.4	175.3	178.5	0	0	0	0	0	111.3	C343 L347 D348 F349	C343-G345 PolarHBondContact O-N 3.48Å; G345-L347 VanDerWaalsContact C-N 3.29Å; G345-L347 PolarHBondContact O-N 3.04Å; G345-D348 WeakPolarHBondContact O-CB 3.49Å; G345-D348 PolarHBondContact O-N 2.77Å; G345-D348 VanDerWaalsContact O-N 3.14Å; G345-F349 PolarHBondContact O-N 2.62Å
346	D	95.1	Very high	94.3	Very high	81 Å²	81	44.5 Å²	44.5	43%	0.433	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-32.5	-173.8	-68.3	-26.3	0	0	0	113.3	L336 T338 L350	L336-D346 HydrophobicContact CD1-CB 4.48Å; L336-D346 HydrophobicContact CD2-CB 4.04Å; T338-D346 WeakPolarHBondContact CB-OD1 3.47Å; T338-D346 PolarHBondContact OG1-OD1 2.94Å; D346-L350 WeakPolarHBondContact O-CB 3.35Å; D346-L350 WeakPolarHBondContact O-CG 3.49Å; D346-L350 PolarHBondContact O-N 3.05Å
347	L	94.2	Very high	94.4	Very high	85 Å²	85	41.4 Å²	41.4	45%	0.445	21%	0.214	S	C	.	.	H	α-helix	trans	-67.4	-41.3	174.5	-67.8	174.5	0	0	0	112.2	L323 A326 E327 G345 L350 A351	L323-L347 HydrophobicContact CD1-CB 4.23Å; A326-L347 HydrophobicContact CB-CD2 4.07Å; E327-L347 HydrophobicContact CG-CD1 4.39Å; G345-L347 VanDerWaalsContact C-N 3.29Å; G345-L347 PolarHBondContact O-N 3.04Å; L347-L350 PolarHBondContact O-N 3.27Å; L347-A351 WeakPolarHBondContact O-CB 3.46Å; L347-A351 PolarHBondContact O-N 3.36Å
348	D	94.2	Very high	94.5	Very high	7 Å²	7	44 Å²	44	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-46.4	174.1	172.6	51.5	0	0	0	110.8	Y319 C343 L344 G345 L350 A351 K352	Y319-D348 WeakPolarHBondContact CE2-OD1 3.45Å; Y319-D348 PolarHBondContact OH-OD1 3.4Å; C343-D348 WeakPolarHBondContact CA-OD2 3.42Å; C343-D348 WeakPolarHBondContact CB-OD2 3.47Å; L344-D348 HydrophobicContact CB-CB 4.18Å; L344-D348 PolarHBondContact N-OD2 3.32Å; G345-D348 WeakPolarHBondContact O-CB 3.49Å; G345-D348 PolarHBondContact O-N 2.77Å; G345-D348 VanDerWaalsContact O-N 3.14Å; D348-L350 PolarHBondContact O-N 2.86Å; D348-A351 PolarHBondContact O-N 3.18Å; D348-K352 VanDerWaalsContact CG-NZ 3.27Å; D348-K352 WeakPolarHBondContact O-CB 3.3Å; D348-K352 WeakPolarHBondContact O-CG 3.45Å; D348-K352 PolarHBondContact O-N 2.67Å; D348-K352 WeakPolarHBondContact OD1-CD 3.39Å; D348-K352 WeakPolarHBondContact OD1-CE 3.44Å; D348-K352 IonicContact OD1-NZ 3.78Å; D348-K352 PolarHBondContact OD1-NZ 3.25Å; D348-K352 IonicContact OD2-NZ 3.58Å; D348-K352 PolarHBondContact OD2-NZ 3.03Å
349	F	96	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-45.7	173.9	167.6	-107.6	0	0	0	112.1	C333 L336 R337 T338 L341 C343 G345 L353 F536	C333-F349 HydrophobicContact CB-CE1 4.23Å; L336-F349 HydrophobicContact CD2-CD1 3.72Å; L336-F349 HydrophobicContact CD2-CE1 3.97Å; R337-F349 HydrophobicContact CB-CD2 4.46Å; R337-F349 HydrophobicContact CB-CE2 3.76Å; R337-F349 HydrophobicContact CB-CZ 3.91Å; R337-F349 HydrophobicContact CG-CE2 4.46Å; R337-F349 HydrophobicContact CG-CZ 4.23Å; T338-F349 HydrophobicContact CG2-CB 4.35Å; L341-F349 HydrophobicContact CD1-CD2 4.11Å; L341-F349 HydrophobicContact CD1-CE2 3.77Å; C343-F349 HydrophobicContact CB-CB 4Å; G345-F349 PolarHBondContact O-N 2.62Å; F349-L353 HydrophobicContact CE1-CD2 4.08Å; F349-L353 HydrophobicContact CE2-CB 4.47Å; F349-L353 HydrophobicContact CZ-CD2 3.93Å; F349-L353 WeakPolarHBondContact O-CB 3.42Å; F349-L353 PolarHBondContact O-N 3.2Å; F349-F536 HydrophobicContact CD2-CD1 4.12Å; F349-F536 AromaticContact CD2-CE1 3.6Å; F349-F536 HydrophobicContact CD2-CE1 3.6Å; F349-F536 HydrophobicContact CD2-CZ 4.47Å; F349-F536 AromaticContact CE2-CE1 3.75Å; F349-F536 HydrophobicContact CE2-CE1 3.75Å; F349-F536 HydrophobicContact CE2-CZ 4.18Å
350	L	95.9	Very high	94.8	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-42.5	179.4	-73.2	170.1	0	0	0	112.2	A326 I331 C333 D346 L347 D348 L353 H354	A326-L350 HydrophobicContact CB-CB 3.96Å; I331-L350 HydrophobicContact CB-CB 4.46Å; I331-L350 HydrophobicContact CG2-CB 4.23Å; I331-L350 HydrophobicContact CG2-CD2 4.04Å; C333-L350 HydrophobicContact CB-CD2 4.14Å; D346-L350 WeakPolarHBondContact O-CB 3.35Å; D346-L350 WeakPolarHBondContact O-CG 3.49Å; D346-L350 PolarHBondContact O-N 3.05Å; L347-L350 PolarHBondContact O-N 3.27Å; D348-L350 PolarHBondContact O-N 2.86Å; L350-L353 HydrophobicContact CD2-CD2 4.43Å; L350-L353 PolarHBondContact O-N 3.2Å; L350-H354 PolarHBondContact O-N 3.06Å
351	A	95.9	Very high	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-53.5	175.6	0	0	0	0	0	111.1	Y319 A322 L323 L347 D348 L353 H354 C355	Y319-A351 HydrophobicContact CD2-CB 4.03Å; Y319-A351 HydrophobicContact CE2-CB 3.76Å; A322-A351 HydrophobicContact CB-CB 4.19Å; A322-A351 WeakPolarHBondContact CB-O 3.14Å; L323-A351 HydrophobicContact CB-CB 4.09Å; L323-A351 HydrophobicContact CD1-CB 4.04Å; L347-A351 WeakPolarHBondContact O-CB 3.46Å; L347-A351 PolarHBondContact O-N 3.36Å; D348-A351 PolarHBondContact O-N 3.18Å; A351-L353 PolarHBondContact O-N 3.15Å; A351-H354 PolarHBondContact O-N 3.31Å; A351-H354 VanDerWaalsContact O-N 3.16Å; A351-C355 PolarHBondContact O-N 2.63Å; A351-C355 VanDerWaalsContact O-N 3.16Å
352	K	96.1	Very high	94.9	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-45.6	176.9	-72.9	168.5	172.3	167.2	0	111.9	Y319 D348 H354 C355 V356 F536 Y543	Y319-K352 HydrophobicContact CD2-CG 4.11Å; Y319-K352 HydrophobicContact CE2-CG 4.06Å; D348-K352 VanDerWaalsContact CG-NZ 3.27Å; D348-K352 WeakPolarHBondContact O-CB 3.3Å; D348-K352 WeakPolarHBondContact O-CG 3.45Å; D348-K352 PolarHBondContact O-N 2.67Å; D348-K352 WeakPolarHBondContact OD1-CD 3.39Å; D348-K352 WeakPolarHBondContact OD1-CE 3.44Å; D348-K352 IonicContact OD1-NZ 3.78Å; D348-K352 PolarHBondContact OD1-NZ 3.25Å; D348-K352 IonicContact OD2-NZ 3.58Å; D348-K352 PolarHBondContact OD2-NZ 3.03Å; K352-H354 VanDerWaalsContact C-N 3.29Å; K352-H354 PolarHBondContact O-N 2.97Å; K352-C355 PolarHBondContact O-N 3.35Å; K352-V356 WeakPolarHBondContact O-CB 3.38Å; K352-V356 VanDerWaalsContact O-CG2 3.24Å; K352-V356 WeakPolarHBondContact O-CG2 3.46Å; K352-V356 PolarHBondContact O-N 2.81Å; K352-F536 HydrophobicContact CB-CD1 3.51Å; K352-F536 HydrophobicContact CB-CE1 3.71Å; K352-F536 HydrophobicContact CB-CG 4.34Å; K352-F536 HydrophobicContact CD-CB 4.27Å; K352-F536 HydrophobicContact CD-CD1 4.02Å; K352-F536 VanDerWaalsContact CD-O 3.29Å; K352-F536 WeakPolarHBondContact CD-O 2.94Å; K352-F536 WeakPolarHBondContact CE-O 3.32Å; K352-F536 HydrophobicContact CG-CD1 4.4Å; K352-F536 PolarHBondContact NZ-O 3.28Å; K352-Y543 HydrophobicContact CB-CE1 4.2Å; K352-Y543 HydrophobicContact CG-CE1 4Å
353	L	96.1	Very high	94.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-55.6	-41	175.8	172.4	62.3	0	0	0	112.5	C333 F349 L350 A351 R357 Y430 F536	C333-L353 HydrophobicContact CB-CD2 3.76Å; F349-L353 HydrophobicContact CE1-CD2 4.08Å; F349-L353 HydrophobicContact CE2-CB 4.47Å; F349-L353 HydrophobicContact CZ-CD2 3.93Å; F349-L353 WeakPolarHBondContact O-CB 3.42Å; F349-L353 PolarHBondContact O-N 3.2Å; L350-L353 HydrophobicContact CD2-CD2 4.43Å; L350-L353 PolarHBondContact O-N 3.2Å; A351-L353 PolarHBondContact O-N 3.15Å; L353-R357 HydrophobicContact CD1-CG 4.29Å; L353-R357 WeakPolarHBondContact O-CB 2.91Å; L353-R357 WeakPolarHBondContact O-CD 3.39Å; L353-R357 WeakPolarHBondContact O-CG 3.24Å; L353-R357 PolarHBondContact O-N 3.45Å; L353-Y430 HydrophobicContact CD1-CD1 3.26Å; L353-Y430 HydrophobicContact CD1-CD2 4.35Å; L353-Y430 HydrophobicContact CD1-CE1 3.34Å; L353-Y430 HydrophobicContact CD1-CE2 4.4Å; L353-Y430 HydrophobicContact CD1-CG 3.83Å; L353-F536 HydrophobicContact CB-CE1 4.26Å; L353-F536 HydrophobicContact CB-CZ 4.32Å
354	H	95.6	Very high	94.7	Very high	41 Å²	41	31.5 Å²	31.5	19%	0.19	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-46	177	177.8	96.2	0	0	0	112.1	A322 M325 I331 L350 A351 K352 R357 Q358	A322-H354 HydrophobicContact CB-CB 4.38Å; M325-H354 VanDerWaalsContact CE-NE2 3.32Å; M325-H354 WeakPolarHBondContact CE-NE2 3.1Å; I331-H354 HydrophobicContact CD1-CB 3.48Å; I331-H354 VanDerWaalsContact CD1-CB 3.48Å; I331-H354 HydrophobicContact CG1-CB 3.96Å; I331-H354 HydrophobicContact CG2-CB 4.17Å; L350-H354 PolarHBondContact O-N 3.06Å; A351-H354 PolarHBondContact O-N 3.31Å; A351-H354 VanDerWaalsContact O-N 3.16Å; K352-H354 VanDerWaalsContact C-N 3.29Å; K352-H354 PolarHBondContact O-N 2.97Å; H354-R357 WeakPolarHBondContact O-CB 3.17Å; H354-R357 PolarHBondContact O-N 2.9Å; H354-Q358 PolarHBondContact NE2-NE2 3.43Å; H354-Q358 PolarHBondContact O-N 3.37Å; H354-Q358 VanDerWaalsContact O-N 3.17Å
355	C	96.4	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-46.8	175.1	-70	0	0	0	0	112.3	F318 A322 A351 K352 R357 Q358 A359 Y543 L549	F318-C355 HydrophobicContact CD1-CB 4.02Å; F318-C355 HydrophobicContact CE1-CB 3.43Å; F318-C355 VanDerWaalsContact CE1-CB 3.43Å; F318-C355 VanDerWaalsContact CE1-SG 3.53Å; F318-C355 HydrophobicContact CZ-CB 3.82Å; F318-C355 PolarHBondContact O-SG 2.83Å; F318-C355 VanDerWaalsContact O-SG 3.36Å; A322-C355 WeakPolarHBondContact CB-SG 3.43Å; A351-C355 PolarHBondContact O-N 2.63Å; A351-C355 VanDerWaalsContact O-N 3.16Å; K352-C355 PolarHBondContact O-N 3.35Å; C355-R357 VanDerWaalsContact C-N 3.33Å; C355-R357 PolarHBondContact O-N 3.45Å; C355-Q358 PolarHBondContact O-N 3.06Å; C355-Q358 VanDerWaalsContact O-N 3.16Å; C355-A359 PolarHBondContact O-N 2.72Å; C355-Y543 HydrophobicContact CB-CD1 3.71Å; C355-Y543 HydrophobicContact CB-CE1 3.53Å; C355-L549 HydrophobicContact CB-CD2 3.7Å
356	V	96.6	Very high	94.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-40.6	177.4	167.9	0	0	0	0	111.4	K352 A359 C360 Y430 V535 F536 Y543 M553	K352-V356 WeakPolarHBondContact O-CB 3.38Å; K352-V356 VanDerWaalsContact O-CG2 3.24Å; K352-V356 WeakPolarHBondContact O-CG2 3.46Å; K352-V356 PolarHBondContact O-N 2.81Å; V356-A359 PolarHBondContact O-N 3.42Å; V356-C360 WeakPolarHBondContact O-CB 3.47Å; V356-C360 PolarHBondContact O-N 2.95Å; V356-C360 PolarHBondContact O-SG 2.88Å; V356-Y430 HydrophobicContact CG1-CD2 3.82Å; V356-Y430 HydrophobicContact CG1-CG 4.44Å; V356-V535 HydrophobicContact CB-CG1 4.49Å; V356-V535 HydrophobicContact CG1-CG1 4.08Å; V356-V535 HydrophobicContact CG2-CG1 3.54Å; V356-F536 HydrophobicContact CB-CE2 4.4Å; V356-F536 HydrophobicContact CB-CZ 4.48Å; V356-F536 HydrophobicContact CG1-CE2 4.2Å; V356-F536 HydrophobicContact CG2-CD2 4.36Å; V356-F536 HydrophobicContact CG2-CE2 3.92Å; V356-F536 HydrophobicContact CG2-CZ 4.22Å; V356-Y543 WeakPolarHBondContact CG2-OH 3.36Å; V356-M553 HydrophobicContact CG1-CE 3.9Å; V356-M553 HydrophobicContact CG1-SD 4.43Å; V356-M553 HydrophobicContact CG2-SD 4.37Å
357	R	95.6	Very high	94.2	Very high	18 Å²	18	28 Å²	28	7%	0.068	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-47.6	173	-78.6	165.6	169.4	160.1	-6	112	S332 L353 H354 C355 C360 E361 H426 N428 D431	S332-R357 VanDerWaalsContact O-CZ 3.29Å; S332-R357 PolarHBondContact O-NH1 3.09Å; S332-R357 PolarHBondContact O-NH2 2.7Å; L353-R357 HydrophobicContact CD1-CG 4.29Å; L353-R357 WeakPolarHBondContact O-CB 2.91Å; L353-R357 WeakPolarHBondContact O-CD 3.39Å; L353-R357 WeakPolarHBondContact O-CG 3.24Å; L353-R357 PolarHBondContact O-N 3.45Å; H354-R357 WeakPolarHBondContact O-CB 3.17Å; H354-R357 PolarHBondContact O-N 2.9Å; C355-R357 VanDerWaalsContact C-N 3.33Å; C355-R357 PolarHBondContact O-N 3.45Å; R357-C360 WeakPolarHBondContact O-CB 3.43Å; R357-C360 PolarHBondContact O-N 2.99Å; R357-E361 WeakPolarHBondContact O-CG 3.44Å; R357-E361 PolarHBondContact O-N 2.95Å; R357-H426 PolarHBondContact NH2-CD2 2.89Å; R357-N428 HydrophobicContact CG-CB 4.14Å; R357-N428 PolarHBondContact O-ND2 3.38Å; R357-D431 IonicContact CZ-OD1 3.66Å; R357-D431 IonicContact CZ-OD2 3.98Å; R357-D431 IonicContact NE-OD1 3.25Å; R357-D431 IonicContact NE-OD2 3.26Å; R357-D431 PolarHBondContact NE-OD2 3.27Å; R357-D431 IonicContact NH2-OD1 3.38Å; R357-D431 PolarHBondContact NH2-OD1 3.2Å; R357-D431 IonicContact NH2-OD2 2.73Å; R357-D431 PolarHBondContact NH2-OD2 3.43Å
358	Q	95.7	Very high	94	Very high	62 Å²	62	26.7 Å²	26.7	29%	0.29	15%	0.153	S	C	.	.	H	α-helix	trans	-64	-42.2	178.3	-66.7	-158.2	50.6	0	0	112	F318 H354 C355 C360 E361 L362 V546	F318-Q358 HydrophobicContact CZ-CB 4.05Å; F318-Q358 HydrophobicContact CZ-CG 4.34Å; H354-Q358 PolarHBondContact NE2-NE2 3.43Å; H354-Q358 PolarHBondContact O-N 3.37Å; H354-Q358 VanDerWaalsContact O-N 3.17Å; C355-Q358 PolarHBondContact O-N 3.06Å; C355-Q358 VanDerWaalsContact O-N 3.16Å; Q358-C360 VanDerWaalsContact C-N 3.34Å; Q358-C360 PolarHBondContact O-N 3.22Å; Q358-E361 WeakPolarHBondContact O-CB 3.45Å; Q358-E361 PolarHBondContact O-N 3.31Å; Q358-E361 VanDerWaalsContact O-N 3.13Å; Q358-L362 PolarHBondContact O-N 3.22Å; Q358-V546 HydrophobicContact CB-CG1 4Å; Q358-V546 HydrophobicContact CB-CG2 4.44Å
359	A	96.5	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-41.6	175	0	0	0	0	0	111.7	C355 V356 E361 L362 I363 L549 A550 M553	C355-A359 PolarHBondContact O-N 2.72Å; V356-A359 PolarHBondContact O-N 3.42Å; A359-E361 VanDerWaalsContact C-N 3.35Å; A359-E361 PolarHBondContact O-N 3.14Å; A359-L362 PolarHBondContact O-N 3.2Å; A359-I363 WeakPolarHBondContact O-CB 3.4Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.45Å; A359-I363 PolarHBondContact O-N 3.43Å; A359-L549 HydrophobicContact CB-CB 4.31Å; A359-L549 HydrophobicContact CB-CD2 4.02Å; A359-L549 HydrophobicContact CB-CG 3.91Å; A359-A550 HydrophobicContact CB-CB 4.09Å; A359-M553 HydrophobicContact CB-CE 4.24Å; A359-M553 HydrophobicContact CB-SD 3.44Å; A359-M553 WeakPolarHBondContact CB-SD 3.27Å
360	C	94.8	Very high	93.4	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-36.7	171.3	-79.4	0	0	0	0	113.7	V356 R357 Q358 L364 N428 F429	V356-C360 WeakPolarHBondContact O-CB 3.47Å; V356-C360 PolarHBondContact O-N 2.95Å; V356-C360 PolarHBondContact O-SG 2.88Å; R357-C360 WeakPolarHBondContact O-CB 3.43Å; R357-C360 PolarHBondContact O-N 2.99Å; Q358-C360 VanDerWaalsContact C-N 3.34Å; Q358-C360 PolarHBondContact O-N 3.22Å; C360-L364 WeakPolarHBondContact O-CB 3.5Å; C360-L364 WeakPolarHBondContact O-CG 3.28Å; C360-L364 PolarHBondContact O-N 2.67Å; C360-N428 WeakPolarHBondContact CB-OD1 3.31Å; C360-F429 HydrophobicContact CB-CB 3.93Å
361	E	92.3	Very high	93.1	Very high	53 Å²	53	33.1 Å²	33.1	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-39.4	174.1	-67.2	-170.7	155.8	0	0	111.7	L57 F61 R64 R357 Q358 A359 S365	L57-E361 HydrophobicContact CD2-CG 3.77Å; F61-E361 HydrophobicContact CE2-CB 4.06Å; F61-E361 HydrophobicContact CE2-CG 4Å; F61-E361 HydrophobicContact CZ-CB 4.03Å; F61-E361 HydrophobicContact CZ-CG 3.94Å; F61-E361 WeakPolarHBondContact CZ-OE2 3.45Å; R64-E361 IonicContact NH1-OE2 2.71Å; R357-E361 WeakPolarHBondContact O-CG 3.44Å; R357-E361 PolarHBondContact O-N 2.95Å; Q358-E361 WeakPolarHBondContact O-CB 3.45Å; Q358-E361 PolarHBondContact O-N 3.31Å; Q358-E361 VanDerWaalsContact O-N 3.13Å; A359-E361 VanDerWaalsContact C-N 3.35Å; A359-E361 PolarHBondContact O-N 3.14Å; E361-S365 PolarHBondContact O-N 3.44Å
362	L	94.3	Very high	92.9	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.366	19%	0.193	S	C	.	.	H	α-helix	trans	-69.6	-49	176.9	-177.3	57.8	0	0	0	111.9	Q358 A359 L364 S365 V546 E547 A550	Q358-L362 PolarHBondContact O-N 3.22Å; A359-L362 PolarHBondContact O-N 3.2Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.07Å; L362-S365 VanDerWaalsContact O-CB 3.32Å; L362-S365 WeakPolarHBondContact O-CB 3.48Å; L362-S365 PolarHBondContact O-N 2.84Å; L362-S365 VanDerWaalsContact O-N 3.08Å; L362-S365 PolarHBondContact O-OG 3.45Å; L362-V546 HydrophobicContact CB-CG1 4.31Å; L362-V546 HydrophobicContact CD2-CG1 4.03Å; L362-E547 HydrophobicContact CD2-CB 4.37Å; L362-E547 HydrophobicContact CD2-CG 4.1Å; L362-A550 HydrophobicContact CB-CB 4.36Å; L362-A550 HydrophobicContact CD2-CB 3.88Å; L362-A550 HydrophobicContact CG-CB 4.28Å
363	I	92.4	Very high	92.7	Very high	19 Å²	19	35.7 Å²	35.7	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-52.5	-48.6	176	-75.3	167.5	0	0	0	111.2	A359 S365 T369 A550 M553	A359-I363 WeakPolarHBondContact O-CB 3.4Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.45Å; A359-I363 PolarHBondContact O-N 3.43Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-S365 PolarHBondContact O-N 2.96Å; I363-T369 HydrophobicContact CG2-CG2 3.63Å; I363-A550 HydrophobicContact CD1-CB 4.27Å; I363-A550 HydrophobicContact CG1-CB 3.9Å; I363-M553 HydrophobicContact CD1-CB 3.82Å; I363-M553 HydrophobicContact CD1-CE 4.14Å
364	L	89.9	Confident	92.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.8	-178.1	-65.5	179.9	0	0	0	114.3	L57 C360 L362 R370 L373 F429	L57-L364 HydrophobicContact CB-CB 4.16Å; L57-L364 HydrophobicContact CB-CD1 4.03Å; L57-L364 HydrophobicContact CD1-CD1 3.81Å; L57-L364 HydrophobicContact CG-CD1 4.39Å; C360-L364 WeakPolarHBondContact O-CB 3.5Å; C360-L364 WeakPolarHBondContact O-CG 3.28Å; C360-L364 PolarHBondContact O-N 2.67Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.07Å; L364-R370 HydrophobicContact CD2-CG 3.98Å; L364-R370 WeakPolarHBondContact O-CD 3.17Å; L364-R370 PolarHBondContact O-NH1 3.42Å; L364-L373 HydrophobicContact CD2-CD1 3.82Å; L364-F429 HydrophobicContact CD1-CB 3.74Å; L364-F429 HydrophobicContact CD1-CD2 3.77Å; L364-F429 HydrophobicContact CD1-CG 4.07Å
365	S	90.4	Very high	92.1	Very high	62 Å²	62	37.3 Å²	37.3	43%	0.434	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-34.4	173	77.5	0	0	0	0	111.9	E361 L362 I363 R370	E361-S365 PolarHBondContact O-N 3.44Å; L362-S365 VanDerWaalsContact O-CB 3.32Å; L362-S365 WeakPolarHBondContact O-CB 3.48Å; L362-S365 PolarHBondContact O-N 2.84Å; L362-S365 VanDerWaalsContact O-N 3.08Å; L362-S365 PolarHBondContact O-OG 3.45Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-S365 PolarHBondContact O-N 2.96Å; S365-R370 VanDerWaalsContact C-NH1 3.3Å; S365-R370 PolarHBondContact O-NH1 3.47Å
366	D	89.9	Confident	91.8	Very high	72 Å²	72	37.8 Å²	37.8	39%	0.385	21%	0.21	S	C	.	.	S	Bend	trans	-75.5	147.3	175.1	171.7	51.5	0	0	0	112.9	A368 T369 R370	D366-A368 PolarHBondContact OD1-N 3.06Å; D366-A368 WeakPolarHBondContact OD2-CA 3.12Å; D366-A368 WeakPolarHBondContact OD2-CB 3.13Å; D366-A368 PolarHBondContact OD2-N 3.28Å; D366-T369 WeakPolarHBondContact OD2-CB 3.41Å; D366-T369 PolarHBondContact OD2-N 3.27Å; D366-T369 PolarHBondContact OD2-OG1 2.85Å; D366-R370 VanDerWaalsContact C-NH1 3.33Å; D366-R370 WeakPolarHBondContact O-CG 3.45Å; D366-R370 PolarHBondContact O-NH1 2.88Å
367	S	89.1	Confident	91.5	Very high	57 Å²	57	38.7 Å²	38.7	40%	0.399	22%	0.22	S	C	.	.	H	α-helix	trans	-86.6	-29.9	179.9	-148.1	0	0	0	0	114.6	R370 M371	S367-R370 VanDerWaalsContact CA-NH2 3.26Å; S367-R370 PolarHBondContact OG-NH2 2.72Å; S367-M371 WeakPolarHBondContact O-CG 3.05Å; S367-M371 PolarHBondContact O-N 3.39Å; S367-M371 VanDerWaalsContact O-N 3.15Å
368	A	91.2	Very high	91.3	Very high	59 Å²	59	39.2 Å²	39.2	49%	0.488	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-42.4	177.1	0	0	0	0	0	110.5	D366 R370 M371 F372	D366-A368 PolarHBondContact OD1-N 3.06Å; D366-A368 WeakPolarHBondContact OD2-CA 3.12Å; D366-A368 WeakPolarHBondContact OD2-CB 3.13Å; D366-A368 PolarHBondContact OD2-N 3.28Å; A368-R370 VanDerWaalsContact C-N 3.33Å; A368-R370 PolarHBondContact O-N 3.42Å; A368-M371 PolarHBondContact O-N 3.46Å; A368-F372 WeakPolarHBondContact O-CB 3.44Å; A368-F372 PolarHBondContact O-N 2.96Å
369	T	90.2	Very high	91.1	Very high	17 Å²	17	41.1 Å²	41.1	10%	0.104	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-38.3	178.1	-53.7	0	0	0	0	112.4	I363 D366 L373 L554	I363-T369 HydrophobicContact CG2-CG2 3.63Å; D366-T369 WeakPolarHBondContact OD2-CB 3.41Å; D366-T369 PolarHBondContact OD2-N 3.27Å; D366-T369 PolarHBondContact OD2-OG1 2.85Å; T369-L373 PolarHBondContact O-N 3.16Å; T369-L554 HydrophobicContact CG2-CD1 3.81Å; T369-L554 HydrophobicContact CG2-CD2 4.4Å
370	R	86.9	Confident	90.9	Very high	29 Å²	29	41.5 Å²	41.5	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-46.8	172.1	-69.6	-173.9	-53.5	-98.9	0.7	112.9	L54 A58 L364 S365 D366 S367 A368 F372 L373 A374	L54-R370 WeakPolarHBondContact CD2-O 3.44Å; L54-R370 WeakPolarHBondContact O-CD 3.42Å; L54-R370 WeakPolarHBondContact O-CG 3.44Å; A58-R370 VanDerWaalsContact CB-NH1 3.3Å; L364-R370 HydrophobicContact CD2-CG 3.98Å; L364-R370 WeakPolarHBondContact O-CD 3.17Å; L364-R370 PolarHBondContact O-NH1 3.42Å; S365-R370 VanDerWaalsContact C-NH1 3.3Å; S365-R370 PolarHBondContact O-NH1 3.47Å; D366-R370 VanDerWaalsContact C-NH1 3.33Å; D366-R370 WeakPolarHBondContact O-CG 3.45Å; D366-R370 PolarHBondContact O-NH1 2.88Å; S367-R370 VanDerWaalsContact CA-NH2 3.26Å; S367-R370 PolarHBondContact OG-NH2 2.72Å; A368-R370 VanDerWaalsContact C-N 3.33Å; A368-R370 PolarHBondContact O-N 3.42Å; R370-F372 VanDerWaalsContact C-N 3.33Å; R370-F372 PolarHBondContact O-N 3.1Å; R370-L373 PolarHBondContact O-N 3.49Å; R370-A374 WeakPolarHBondContact O-CB 3.46Å; R370-A374 PolarHBondContact O-N 3.45Å; R370-A374 VanDerWaalsContact O-N 3.08Å
371	M	89.5	Confident	90.7	Very high	119 Å²	119	41.8 Å²	41.8	59%	0.586	23%	0.233	S	C	*	.	H	α-helix	trans	-63.2	-41.8	177.4	-67.5	-177.5	-59.9	0	0	111.1	S367 A368 A374 D375	S367-M371 WeakPolarHBondContact O-CG 3.05Å; S367-M371 PolarHBondContact O-N 3.39Å; S367-M371 VanDerWaalsContact O-N 3.15Å; A368-M371 PolarHBondContact O-N 3.46Å; M371-A374 PolarHBondContact O-N 2.77Å; M371-D375 PolarHBondContact O-N 3.08Å
372	F	91.4	Very high	90.7	Very high	47 Å²	47	39.6 Å²	39.6	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-55.3	174.9	163.1	-105.4	0	0	0	112.1	A368 R370 A374 T376 L557 H558	A368-F372 WeakPolarHBondContact O-CB 3.44Å; A368-F372 PolarHBondContact O-N 2.96Å; R370-F372 VanDerWaalsContact C-N 3.33Å; R370-F372 PolarHBondContact O-N 3.1Å; F372-A374 PolarHBondContact O-N 2.83Å; F372-T376 WeakPolarHBondContact CE2-OG1 3.46Å; F372-T376 HydrophobicContact CZ-CG2 4.38Å; F372-T376 WeakPolarHBondContact O-CB 3.41Å; F372-T376 PolarHBondContact O-N 3.42Å; F372-T376 PolarHBondContact O-OG1 3.06Å; F372-L557 HydrophobicContact CE1-CD2 3.95Å; F372-L557 HydrophobicContact CE1-CG 4.34Å; F372-H558 AromaticContact CD1-CE1 3.57Å; F372-H558 AromaticContact CD2-CE1 3.7Å; F372-H558 AromaticContact CE1-CE1 3.45Å; F372-H558 VanDerWaalsContact CE1-CE1 3.45Å; F372-H558 WeakPolarHBondContact CE1-CE1 3.14Å; F372-H558 AromaticContact CE1-ND1 3.57Å; F372-H558 AromaticContact CE2-CE1 3.58Å; F372-H558 AromaticContact CE2-ND1 3.48Å; F372-H558 WeakPolarHBondContact CE2-ND1 3.32Å; F372-H558 AromaticContact CG-CE1 3.7Å; F372-H558 AromaticContact CZ-CE1 3.48Å; F372-H558 VanDerWaalsContact CZ-CE1 3.48Å; F372-H558 WeakPolarHBondContact CZ-CE1 3.41Å; F372-H558 AromaticContact CZ-ND1 3.21Å; F372-H558 WeakPolarHBondContact CZ-ND1 3.24Å
373	L	91	Very high	90.6	Very high	18 Å²	18	37.8 Å²	37.8	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-34.7	178.2	-91.1	160.8	0	0	0	111.7	L54 L364 T369 R370 G377 F429 L557	L54-L373 HydrophobicContact CD1-CB 4.46Å; L54-L373 HydrophobicContact CD2-CB 3.16Å; L54-L373 HydrophobicContact CD2-CD1 4.24Å; L54-L373 HydrophobicContact CD2-CG 4.29Å; L54-L373 HydrophobicContact CG-CB 4.18Å; L364-L373 HydrophobicContact CD2-CD1 3.82Å; T369-L373 PolarHBondContact O-N 3.16Å; R370-L373 PolarHBondContact O-N 3.49Å; L373-G377 PolarHBondContact O-N 3.13Å; L373-F429 HydrophobicContact CD1-CE2 4.29Å; L373-F429 HydrophobicContact CD1-CZ 4.37Å; L373-F429 HydrophobicContact CD2-CZ 4.05Å; L373-L557 HydrophobicContact CD1-CD2 4.11Å; L373-L557 HydrophobicContact CD2-CD1 3.86Å; L373-L557 HydrophobicContact CD2-CD2 3.61Å; L373-L557 HydrophobicContact CD2-CG 4.2Å; L373-L557 HydrophobicContact CG-CD2 3.78Å
374	A	89.8	Confident	90.5	Very high	12 Å²	12	36.9 Å²	36.9	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-77.6	-48	-173.8	0	0	0	0	0	112.4	L54 R370 M371 F372 T376 K378 I403	L54-A374 HydrophobicContact CB-CB 4.33Å; L54-A374 HydrophobicContact CD1-CB 3.66Å; L54-A374 HydrophobicContact CD2-CB 3.91Å; L54-A374 HydrophobicContact CG-CB 4.11Å; R370-A374 WeakPolarHBondContact O-CB 3.46Å; R370-A374 PolarHBondContact O-N 3.45Å; R370-A374 VanDerWaalsContact O-N 3.08Å; M371-A374 PolarHBondContact O-N 2.77Å; F372-A374 PolarHBondContact O-N 2.83Å; A374-T376 VanDerWaalsContact C-N 3.25Å; A374-T376 PolarHBondContact O-N 3.44Å; A374-K378 WeakPolarHBondContact O-CB 3.46Å; A374-K378 PolarHBondContact O-N 3.45Å; A374-I403 HydrophobicContact CB-CD1 4.27Å
375	D	89.5	Confident	90.6	Very high	64 Å²	64	37 Å²	37	34%	0.342	21%	0.213	S	C	.	.	H	α-helix	trans	-60.3	-38.7	169.8	-88.7	-19.4	0	0	0	111.5	M371 K378 K379	M371-D375 PolarHBondContact O-N 3.08Å; D375-K378 VanDerWaalsContact OD1-CE 3.32Å; D375-K378 WeakPolarHBondContact OD1-CE 3.47Å; D375-K378 IonicContact OD1-NZ 3.88Å; D375-K378 PolarHBondContact OD1-NZ 2.99Å; D375-K379 WeakPolarHBondContact O-CB 3.49Å; D375-K379 WeakPolarHBondContact O-CD 3.46Å; D375-K379 WeakPolarHBondContact O-CG 3.13Å; D375-K379 PolarHBondContact O-N 3.37Å
376	T	91	Very high	90.8	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-49.4	-179.9	-66.8	0	0	0	0	112	F372 A374 K378 K379 I380 S561	F372-T376 WeakPolarHBondContact CE2-OG1 3.46Å; F372-T376 HydrophobicContact CZ-CG2 4.38Å; F372-T376 WeakPolarHBondContact O-CB 3.41Å; F372-T376 PolarHBondContact O-N 3.42Å; F372-T376 PolarHBondContact O-OG1 3.06Å; A374-T376 VanDerWaalsContact C-N 3.25Å; A374-T376 PolarHBondContact O-N 3.44Å; T376-K378 PolarHBondContact O-N 3.03Å; T376-K379 PolarHBondContact O-N 2.9Å; T376-I380 HydrophobicContact CG2-CD1 3.64Å; T376-I380 HydrophobicContact CG2-CG1 4.48Å; T376-I380 WeakPolarHBondContact O-CB 3.48Å; T376-I380 WeakPolarHBondContact O-CD1 3.16Å; T376-I380 VanDerWaalsContact O-CG1 3.28Å; T376-I380 WeakPolarHBondContact O-CG1 3.39Å; T376-I380 PolarHBondContact O-N 2.89Å; T376-S561 WeakPolarHBondContact CG2-OG 3.01Å
377	G	90.4	Very high	90.8	Very high	21 Å²	21	36.7 Å²	36.7	22%	0.216	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-46.8	175.5	0	0	0	0	0	112.1	L373 I380 L381	L373-G377 PolarHBondContact O-N 3.13Å; G377-I380 PolarHBondContact O-N 3.01Å; G377-L381 WeakPolarHBondContact O-CB 3.48Å; G377-L381 WeakPolarHBondContact O-CD1 3.43Å; G377-L381 VanDerWaalsContact O-CG 3.24Å; G377-L381 WeakPolarHBondContact O-CG 3.42Å; G377-L381 PolarHBondContact O-N 2.98Å; G377-L381 VanDerWaalsContact O-N 3.07Å
378	K	91.8	Very high	90.9	Very high	29 Å²	29	34.6 Å²	34.6	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-55.5	-52.9	173.3	-175.6	173.2	64.9	-149.9	0	111.7	A374 D375 T376 I380 L381 S382 E396 F399 E400	A374-K378 WeakPolarHBondContact O-CB 3.46Å; A374-K378 PolarHBondContact O-N 3.45Å; D375-K378 VanDerWaalsContact OD1-CE 3.32Å; D375-K378 WeakPolarHBondContact OD1-CE 3.47Å; D375-K378 IonicContact OD1-NZ 3.88Å; D375-K378 PolarHBondContact OD1-NZ 2.99Å; T376-K378 PolarHBondContact O-N 3.03Å; K378-I380 PolarHBondContact O-N 2.95Å; K378-L381 PolarHBondContact O-N 2.83Å; K378-S382 VanDerWaalsContact O-CB 3.29Å; K378-S382 WeakPolarHBondContact O-CB 3.28Å; K378-S382 PolarHBondContact O-N 3.06Å; K378-S382 PolarHBondContact O-OG 3.36Å; K378-E396 HydrophobicContact CG-CG 4.49Å; K378-F399 HydrophobicContact CB-CD1 4.07Å; K378-F399 HydrophobicContact CB-CE1 3.74Å; K378-F399 HydrophobicContact CB-CE2 4.26Å; K378-F399 HydrophobicContact CB-CG 4.48Å; K378-F399 HydrophobicContact CB-CZ 3.85Å; K378-F399 HydrophobicContact CD-CD1 3.9Å; K378-F399 HydrophobicContact CD-CE1 4.17Å; K378-F399 HydrophobicContact CG-CD1 4.1Å; K378-F399 HydrophobicContact CG-CE1 4.28Å; K378-F399 HydrophobicContact CG-CG 4.4Å; K378-E400 VanDerWaalsContact CD-OE1 3.32Å; K378-E400 WeakPolarHBondContact CD-OE1 3.19Å; K378-E400 WeakPolarHBondContact CE-OE1 3.24Å; K378-E400 IonicContact NZ-OE1 2.67Å; K378-E400 PolarHBondContact NZ-OE1 3.29Å
379	K	91.3	Very high	90.9	Very high	101 Å²	101	40.9 Å²	40.9	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-47.2	179.9	-75.1	161.7	-166.3	168.1	0	112.7	D375 T376 S383 L565	D375-K379 WeakPolarHBondContact O-CB 3.49Å; D375-K379 WeakPolarHBondContact O-CD 3.46Å; D375-K379 WeakPolarHBondContact O-CG 3.13Å; D375-K379 PolarHBondContact O-N 3.37Å; T376-K379 PolarHBondContact O-N 2.9Å; K379-S383 VanDerWaalsContact O-CB 3.3Å; K379-S383 WeakPolarHBondContact O-CB 3.36Å; K379-S383 PolarHBondContact O-N 2.82Å; K379-S383 PolarHBondContact O-OG 3.39Å; K379-L565 HydrophobicContact CB-CD2 4.45Å
380	I	91.3	Very high	91	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-48.7	179.2	-69.5	161.3	0	0	0	110.1	T376 G377 K378 S383 I384 F524 L564	T376-I380 HydrophobicContact CG2-CD1 3.64Å; T376-I380 HydrophobicContact CG2-CG1 4.48Å; T376-I380 WeakPolarHBondContact O-CB 3.48Å; T376-I380 WeakPolarHBondContact O-CD1 3.16Å; T376-I380 VanDerWaalsContact O-CG1 3.28Å; T376-I380 WeakPolarHBondContact O-CG1 3.39Å; T376-I380 PolarHBondContact O-N 2.89Å; G377-I380 PolarHBondContact O-N 3.01Å; K378-I380 PolarHBondContact O-N 2.95Å; I380-S383 WeakPolarHBondContact O-CB 3.42Å; I380-S383 PolarHBondContact O-N 2.99Å; I380-S383 VanDerWaalsContact O-N 3.17Å; I380-I384 PolarHBondContact O-N 2.8Å; I380-F524 HydrophobicContact CG2-CD2 3.76Å; I380-F524 HydrophobicContact CG2-CE2 3.89Å; I380-L564 HydrophobicContact CD1-CB 4.39Å; I380-L564 HydrophobicContact CD1-CD1 3.74Å; I380-L564 HydrophobicContact CG1-CB 4.35Å; I380-L564 HydrophobicContact CG1-CD1 4.39Å
381	L	91.9	Very high	91.3	Very high	9 Å²	9	46.7 Å²	46.7	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-78.1	-36	-172.3	-62.8	168.8	0	0	0	112.5	G50 T51 G377 K378 S383 I384 I385 F395 I502 F524	G50-L381 WeakPolarHBondContact O-CD1 3.4Å; T51-L381 HydrophobicContact CG2-CD1 3.46Å; T51-L381 VanDerWaalsContact CG2-CD1 3.46Å; G377-L381 WeakPolarHBondContact O-CB 3.48Å; G377-L381 WeakPolarHBondContact O-CD1 3.43Å; G377-L381 VanDerWaalsContact O-CG 3.24Å; G377-L381 WeakPolarHBondContact O-CG 3.42Å; G377-L381 PolarHBondContact O-N 2.98Å; G377-L381 VanDerWaalsContact O-N 3.07Å; K378-L381 PolarHBondContact O-N 2.83Å; L381-S383 PolarHBondContact O-N 3.36Å; L381-I384 HydrophobicContact CD2-CD1 3.96Å; L381-I384 WeakPolarHBondContact O-CB 3.44Å; L381-I384 PolarHBondContact O-N 2.82Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.98Å; L381-I385 VanDerWaalsContact O-N 3.12Å; L381-F395 HydrophobicContact CB-CE1 3.94Å; L381-F395 HydrophobicContact CB-CE2 4.2Å; L381-F395 HydrophobicContact CB-CZ 3.41Å; L381-F395 VanDerWaalsContact CB-CZ 3.41Å; L381-F395 HydrophobicContact CD1-CZ 4.22Å; L381-F395 HydrophobicContact CG-CZ 4.47Å; L381-I502 HydrophobicContact CB-CD1 4.25Å; L381-I502 HydrophobicContact CD2-CD1 4.46Å; L381-I502 HydrophobicContact CD2-CG1 4.43Å; L381-F524 HydrophobicContact CD2-CZ 4.35Å
382	S	92.6	Very high	91.5	Very high	7 Å²	7	42.2 Å²	42.2	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-38.8	164.6	-74.4	0	0	0	0	111.3	K378 I385 V386 E396	K378-S382 VanDerWaalsContact O-CB 3.29Å; K378-S382 WeakPolarHBondContact O-CB 3.28Å; K378-S382 PolarHBondContact O-N 3.06Å; K378-S382 PolarHBondContact O-OG 3.36Å; S382-I385 PolarHBondContact O-N 3.44Å; S382-V386 WeakPolarHBondContact O-CG2 3.37Å; S382-V386 PolarHBondContact O-N 3.32Å; S382-E396 WeakPolarHBondContact CB-OE1 3.2Å; S382-E396 VanDerWaalsContact OG-CG 3.22Å; S382-E396 WeakPolarHBondContact OG-CG 3.28Å; S382-E396 PolarHBondContact OG-OE1 3.35Å
383	S	91.1	Very high	91.7	Very high	32 Å²	32	47 Å²	47	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-70.9	-30.6	178.7	-57.5	0	0	0	0	113.3	K379 I380 L381 V386 K387 L568	K379-S383 VanDerWaalsContact O-CB 3.3Å; K379-S383 WeakPolarHBondContact O-CB 3.36Å; K379-S383 PolarHBondContact O-N 2.82Å; K379-S383 PolarHBondContact O-OG 3.39Å; I380-S383 WeakPolarHBondContact O-CB 3.42Å; I380-S383 PolarHBondContact O-N 2.99Å; I380-S383 VanDerWaalsContact O-N 3.17Å; L381-S383 PolarHBondContact O-N 3.36Å; S383-V386 PolarHBondContact O-N 2.79Å; S383-K387 WeakPolarHBondContact O-CB 3.33Å; S383-K387 PolarHBondContact O-N 3.4Å; S383-L568 VanDerWaalsContact CB-CD1 3.4Å; S383-L568 WeakPolarHBondContact OG-CD1 3.04Å
384	I	90.6	Very high	91.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-45.3	168	-64	-177.3	0	0	0	110.3	I380 L381 V386 K387 A388 I502 V505 L506 L517 F520 F524	I380-I384 PolarHBondContact O-N 2.8Å; L381-I384 HydrophobicContact CD2-CD1 3.96Å; L381-I384 WeakPolarHBondContact O-CB 3.44Å; L381-I384 PolarHBondContact O-N 2.82Å; I384-V386 PolarHBondContact O-N 3.25Å; I384-K387 PolarHBondContact O-N 2.99Å; I384-A388 PolarHBondContact O-N 3.19Å; I384-I502 HydrophobicContact CB-CD1 4.48Å; I384-I502 HydrophobicContact CG2-CD1 4.43Å; I384-V505 HydrophobicContact CG2-CG1 3.93Å; I384-L506 HydrophobicContact CD1-CD2 3.65Å; I384-L506 HydrophobicContact CG2-CD2 3.94Å; I384-L517 HydrophobicContact CG2-CD1 3.94Å; I384-F520 HydrophobicContact CD1-CE1 4.41Å; I384-F520 HydrophobicContact CG1-CD1 3.79Å; I384-F520 HydrophobicContact CG1-CE1 3.53Å; I384-F524 HydrophobicContact CD1-CD1 4.34Å; I384-F524 HydrophobicContact CD1-CG 4.34Å
385	I	92.8	Very high	92.1	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41.3	177.8	-63.3	169.8	0	0	0	111.2	L381 S382 A388 Q389 K390 P392 F395 I502 V505	L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.98Å; L381-I385 VanDerWaalsContact O-N 3.12Å; S382-I385 PolarHBondContact O-N 3.44Å; I385-A388 CarbonylContact O-C 3.47Å; I385-A388 WeakPolarHBondContact O-CB 3.23Å; I385-A388 PolarHBondContact O-N 3.27Å; I385-Q389 PolarHBondContact O-N 3.29Å; I385-K390 HydrophobicContact CG2-CB 3.66Å; I385-K390 PolarHBondContact O-N 3.43Å; I385-P392 HydrophobicContact CB-CB 4.46Å; I385-P392 HydrophobicContact CG2-CB 4.39Å; I385-F395 HydrophobicContact CD1-CB 3.41Å; I385-F395 VanDerWaalsContact CD1-CB 3.41Å; I385-F395 HydrophobicContact CD1-CD1 3.8Å; I385-F395 HydrophobicContact CD1-CD2 3.72Å; I385-F395 HydrophobicContact CD1-CE2 4.43Å; I385-F395 HydrophobicContact CD1-CG 3.36Å; I385-I502 HydrophobicContact CD1-CD1 3.85Å; I385-I502 HydrophobicContact CG1-CD1 3.63Å; I385-V505 HydrophobicContact CG1-CG2 4.43Å
386	V	93.4	Very high	92.4	Very high	87 Å²	87	50.7 Å²	50.7	53%	0.527	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-42.3	175.3	171.5	0	0	0	0	112	S382 S383 I384 A388 Q389 P392	S382-V386 WeakPolarHBondContact O-CG2 3.37Å; S382-V386 PolarHBondContact O-N 3.32Å; S383-V386 PolarHBondContact O-N 2.79Å; I384-V386 PolarHBondContact O-N 3.25Å; V386-A388 PolarHBondContact O-N 2.8Å; V386-Q389 WeakPolarHBondContact O-CA 3.5Å; V386-Q389 PolarHBondContact O-N 3.49Å; V386-P392 HydrophobicContact CG2-CB 4.49Å; V386-P392 HydrophobicContact CG2-CG 3.83Å
387	K	91.1	Very high	92.6	Very high	39 Å²	39	54.7 Å²	54.7	17%	0.17	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-29.8	172.7	-93.9	175	165.4	-74.8	0	112.6	S383 I384 Q389 S516 L517 F520 L568 D571	S383-K387 WeakPolarHBondContact O-CB 3.33Å; S383-K387 PolarHBondContact O-N 3.4Å; I384-K387 PolarHBondContact O-N 2.99Å; K387-Q389 PolarHBondContact O-N 3.2Å; K387-S516 PolarHBondContact NZ-O 2.98Å; K387-L517 HydrophobicContact CB-CD1 4.04Å; K387-F520 HydrophobicContact CD-CB 3.64Å; K387-F520 HydrophobicContact CD-CD1 3.44Å; K387-F520 VanDerWaalsContact CD-CD1 3.44Å; K387-F520 HydrophobicContact CD-CE1 4.26Å; K387-F520 HydrophobicContact CD-CG 3.61Å; K387-L568 HydrophobicContact CD-CD2 3.96Å; K387-D571 IonicContact NZ-OD2 3.28Å; K387-D571 PolarHBondContact NZ-OD2 3.48Å
388	A	90.1	Very high	92.8	Very high	14 Å²	14	53.9 Å²	53.9	12%	0.116	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	14.5	171.6	0	0	0	0	0	114.4	I384 I385 V386 K390 V505 L517	I384-A388 PolarHBondContact O-N 3.19Å; I385-A388 CarbonylContact O-C 3.47Å; I385-A388 WeakPolarHBondContact O-CB 3.23Å; I385-A388 PolarHBondContact O-N 3.27Å; V386-A388 PolarHBondContact O-N 2.8Å; A388-K390 HydrophobicContact CB-CD 4.34Å; A388-K390 PolarHBondContact O-N 3.18Å; A388-V505 HydrophobicContact CB-CG1 3.37Å; A388-L517 HydrophobicContact CB-CD1 4.02Å; A388-L517 HydrophobicContact CB-CD2 3.72Å; A388-L517 HydrophobicContact CB-CG 4.49Å
389	Q	91.3	Very high	92.8	Very high	190 Å²	190	52.5 Å²	52.5	89%	0.888	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	28	178.7	-54.9	-175.7	-0.3	0	0	114.2	I385 V386 K387	I385-Q389 PolarHBondContact O-N 3.29Å; V386-Q389 WeakPolarHBondContact O-CA 3.5Å; V386-Q389 PolarHBondContact O-N 3.49Å; K387-Q389 PolarHBondContact O-N 3.2Å
390	K	92.4	Very high	92.9	Very high	78 Å²	78	51.4 Å²	51.4	34%	0.339	26%	0.257	S	S	.	.			trans	-114.2	160.9	-179.5	-71.9	159.5	-169.4	172.1	0	110.8	I385 A388 E467 V505	I385-K390 HydrophobicContact CG2-CB 3.66Å; I385-K390 PolarHBondContact O-N 3.43Å; A388-K390 HydrophobicContact CB-CD 4.34Å; A388-K390 PolarHBondContact O-N 3.18Å; K390-E467 WeakPolarHBondContact CE-OE1 3.41Å; K390-E467 IonicContact NZ-OE1 2.72Å; K390-E467 PolarHBondContact NZ-OE1 3.45Å; K390-V505 HydrophobicContact CD-CG2 3.95Å
391	S	93	Very high	92.9	Very high	91 Å²	91	55 Å²	55	64%	0.636	27%	0.274	S	S	*	.			trans	-84.8	124.7	179.6	43.5	0	0	0	0	111.5	K393	S391-K393 VanDerWaalsContact C-N 3.3Å; S391-K393 PolarHBondContact O-N 2.84Å
392	P	94.1	Very high	92.8	Very high	24 Å²	24	54.6 Å²	54.6	16%	0.156	27%	0.272	C	S	.	.			trans	-76.4	-14.3	-179.6	31.8	-36.8	0	0	0	113.4	I385 V386 R394 F395 E396	I385-P392 HydrophobicContact CB-CB 4.46Å; I385-P392 HydrophobicContact CG2-CB 4.39Å; V386-P392 HydrophobicContact CG2-CB 4.49Å; V386-P392 HydrophobicContact CG2-CG 3.83Å; P392-R394 PolarHBondContact O-N 3.23Å; P392-R394 VanDerWaalsContact O-N 3.16Å; P392-F395 CarbonylContact O-C 3.57Å; P392-F395 WeakPolarHBondContact O-CA 3.44Å; P392-F395 VanDerWaalsContact O-CB 3.27Å; P392-F395 WeakPolarHBondContact O-CB 3.33Å; P392-F395 PolarHBondContact O-N 2.9Å; P392-E396 HydrophobicContact CB-CG 4.37Å; P392-E396 PolarHBondContact O-N 2.83Å
393	K	95.4	Very high	92.6	Very high	147 Å²	147	55.1 Å²	55.1	64%	0.639	27%	0.274	S	S	*	.	H	α-helix	trans	-47.1	-50.3	-172.9	-64.6	-171.2	176.1	-171.3	0	114.6	S391 F395 E396 E397	S391-K393 VanDerWaalsContact C-N 3.3Å; S391-K393 PolarHBondContact O-N 2.84Å; K393-F395 VanDerWaalsContact C-N 3.3Å; K393-F395 PolarHBondContact O-N 3.39Å; K393-E396 PolarHBondContact O-N 3.33Å; K393-E397 VanDerWaalsContact O-CG 3.31Å; K393-E397 WeakPolarHBondContact O-CG 3.24Å; K393-E397 PolarHBondContact O-N 3.41Å
394	R	95.4	Very high	92.5	Very high	105 Å²	105	57.2 Å²	57.2	40%	0.396	29%	0.285	S	S	.	.	H	α-helix	trans	-71.7	-26.7	-178.2	-172.8	55.9	-168.2	153.9	12.8	112.7	P392 E397 V398 E401	P392-R394 PolarHBondContact O-N 3.23Å; P392-R394 VanDerWaalsContact O-N 3.16Å; R394-E397 WeakPolarHBondContact CD-OE2 3.43Å; R394-E397 IonicContact CZ-OE2 3.44Å; R394-E397 IonicContact NE-OE2 2.63Å; R394-E397 IonicContact NH1-OE2 2.77Å; R394-E397 PolarHBondContact NH1-OE2 2.58Å; R394-V398 WeakPolarHBondContact O-CG2 3.4Å; R394-V398 PolarHBondContact O-N 3.35Å; R394-E401 IonicContact CZ-OE1 2.76Å; R394-E401 IonicContact NH1-OE1 3.31Å; R394-E401 PolarHBondContact NH1-OE1 3.38Å; R394-E401 IonicContact NH2-OE1 3.77Å; R394-E401 PolarHBondContact NH2-OE1 2.88Å; R394-E401 IonicContact NH2-OE2 3.66Å
395	F	94.7	Very high	92.4	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-44.2	169.5	164.1	-91.3	0	0	0	111.1	T51 L381 I385 P392 K393 V398 F399 V498 Q501 I502	T51-F395 HydrophobicContact CG2-CE2 3.52Å; T51-F395 HydrophobicContact CG2-CZ 3.59Å; L381-F395 HydrophobicContact CB-CE1 3.94Å; L381-F395 HydrophobicContact CB-CE2 4.2Å; L381-F395 HydrophobicContact CB-CZ 3.41Å; L381-F395 VanDerWaalsContact CB-CZ 3.41Å; L381-F395 HydrophobicContact CD1-CZ 4.22Å; L381-F395 HydrophobicContact CG-CZ 4.47Å; I385-F395 HydrophobicContact CD1-CB 3.41Å; I385-F395 VanDerWaalsContact CD1-CB 3.41Å; I385-F395 HydrophobicContact CD1-CD1 3.8Å; I385-F395 HydrophobicContact CD1-CD2 3.72Å; I385-F395 HydrophobicContact CD1-CE2 4.43Å; I385-F395 HydrophobicContact CD1-CG 3.36Å; P392-F395 CarbonylContact O-C 3.57Å; P392-F395 WeakPolarHBondContact O-CA 3.44Å; P392-F395 VanDerWaalsContact O-CB 3.27Å; P392-F395 WeakPolarHBondContact O-CB 3.33Å; P392-F395 PolarHBondContact O-N 2.9Å; K393-F395 VanDerWaalsContact C-N 3.3Å; K393-F395 PolarHBondContact O-N 3.39Å; F395-V398 WeakPolarHBondContact O-CG2 3.32Å; F395-V398 PolarHBondContact O-N 2.89Å; F395-F399 HydrophobicContact CE1-CD2 4.38Å; F395-F399 AromaticContact CZ-CD2 3.97Å; F395-F399 HydrophobicContact CZ-CD2 3.97Å; F395-F399 VanDerWaalsContact O-CB 3.23Å; F395-F399 WeakPolarHBondContact O-CB 3.48Å; F395-F399 PolarHBondContact O-N 3.11Å; F395-V498 HydrophobicContact CD2-CG1 3.76Å; F395-V498 HydrophobicContact CE2-CG1 3.59Å; F395-Q501 HydrophobicContact CB-CB 3.87Å; F395-Q501 HydrophobicContact CB-CG 4.31Å; F395-Q501 HydrophobicContact CD2-CB 4.23Å; F395-I502 HydrophobicContact CD2-CB 3.95Å; F395-I502 HydrophobicContact CE2-CB 3.81Å; F395-I502 HydrophobicContact CE2-CD1 4.45Å; F395-I502 HydrophobicContact CE2-CG1 4.2Å; F395-I502 HydrophobicContact CE2-CG2 4.18Å
396	E	94.6	Very high	91.9	Very high	67 Å²	67	57.8 Å²	57.8	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-43.9	177.6	-69.5	164.3	167.2	0	0	111.1	K378 S382 P392 K393 F399 E400	K378-E396 HydrophobicContact CG-CG 4.49Å; S382-E396 WeakPolarHBondContact CB-OE1 3.2Å; S382-E396 VanDerWaalsContact OG-CG 3.22Å; S382-E396 WeakPolarHBondContact OG-CG 3.28Å; S382-E396 PolarHBondContact OG-OE1 3.35Å; P392-E396 HydrophobicContact CB-CG 4.37Å; P392-E396 PolarHBondContact O-N 2.83Å; K393-E396 PolarHBondContact O-N 3.33Å; E396-F399 PolarHBondContact O-N 3.31Å; E396-E400 WeakPolarHBondContact O-CG 3.32Å; E396-E400 PolarHBondContact O-N 3.04Å
397	E	95.7	Very high	91.4	Very high	93 Å²	93	57.5 Å²	57.5	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-54.6	-55	173.2	-71.5	161.8	-152.4	0	0	112.2	K393 R394 F399 E400 E401	K393-E397 VanDerWaalsContact O-CG 3.31Å; K393-E397 WeakPolarHBondContact O-CG 3.24Å; K393-E397 PolarHBondContact O-N 3.41Å; R394-E397 WeakPolarHBondContact CD-OE2 3.43Å; R394-E397 IonicContact CZ-OE2 3.44Å; R394-E397 IonicContact NE-OE2 2.63Å; R394-E397 IonicContact NH1-OE2 2.77Å; R394-E397 PolarHBondContact NH1-OE2 2.58Å; E397-F399 VanDerWaalsContact C-N 3.3Å; E397-F399 PolarHBondContact O-N 3Å; E397-E400 PolarHBondContact O-N 2.83Å; E397-E401 VanDerWaalsContact O-CG 3.3Å; E397-E401 WeakPolarHBondContact O-CG 3.38Å; E397-E401 PolarHBondContact O-N 2.81Å
398	V	93.8	Very high	90.9	Very high	3 Å²	3	60 Å²	60	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-71.7	-22.8	-179	-60.8	0	0	0	0	113.5	R394 F395 L402 A497 V498 Q501	R394-V398 WeakPolarHBondContact O-CG2 3.4Å; R394-V398 PolarHBondContact O-N 3.35Å; F395-V398 WeakPolarHBondContact O-CG2 3.32Å; F395-V398 PolarHBondContact O-N 2.89Å; V398-L402 VanDerWaalsContact O-CB 3.27Å; V398-L402 WeakPolarHBondContact O-CB 3.44Å; V398-L402 PolarHBondContact O-N 3.25Å; V398-A497 HydrophobicContact CB-CB 4.5Å; V398-A497 HydrophobicContact CG1-CB 4.42Å; V398-V498 HydrophobicContact CB-CG2 4.23Å; V398-V498 HydrophobicContact CG2-CB 4.14Å; V398-V498 HydrophobicContact CG2-CG1 4.16Å; V398-V498 HydrophobicContact CG2-CG2 3.91Å; V398-Q501 HydrophobicContact CG2-CG 4.07Å
399	F	91.9	Very high	90.1	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-45.5	171.3	-171.8	-76.7	0	0	0	110.6	T51 K378 F395 E396 E397 L402 I403	T51-F399 HydrophobicContact CG2-CD2 3.62Å; T51-F399 HydrophobicContact CG2-CE2 3.72Å; T51-F399 WeakPolarHBondContact O-CE2 3.43Å; K378-F399 HydrophobicContact CB-CD1 4.07Å; K378-F399 HydrophobicContact CB-CE1 3.74Å; K378-F399 HydrophobicContact CB-CE2 4.26Å; K378-F399 HydrophobicContact CB-CG 4.48Å; K378-F399 HydrophobicContact CB-CZ 3.85Å; K378-F399 HydrophobicContact CD-CD1 3.9Å; K378-F399 HydrophobicContact CD-CE1 4.17Å; K378-F399 HydrophobicContact CG-CD1 4.1Å; K378-F399 HydrophobicContact CG-CE1 4.28Å; K378-F399 HydrophobicContact CG-CG 4.4Å; F395-F399 HydrophobicContact CE1-CD2 4.38Å; F395-F399 AromaticContact CZ-CD2 3.97Å; F395-F399 HydrophobicContact CZ-CD2 3.97Å; F395-F399 VanDerWaalsContact O-CB 3.23Å; F395-F399 WeakPolarHBondContact O-CB 3.48Å; F395-F399 PolarHBondContact O-N 3.11Å; E396-F399 PolarHBondContact O-N 3.31Å; E397-F399 VanDerWaalsContact C-N 3.3Å; E397-F399 PolarHBondContact O-N 3Å; F399-L402 WeakPolarHBondContact O-CB 3.1Å; F399-L402 PolarHBondContact O-N 2.95Å; F399-I403 HydrophobicContact CD1-CG1 3.73Å; F399-I403 HydrophobicContact CE1-CD1 3.89Å; F399-I403 HydrophobicContact CE1-CG1 3.5Å; F399-I403 HydrophobicContact CZ-CD1 4.33Å; F399-I403 HydrophobicContact CZ-CG1 4.37Å; F399-I403 VanDerWaalsContact O-CG1 3.32Å; F399-I403 WeakPolarHBondContact O-CG1 3.41Å; F399-I403 PolarHBondContact O-N 3.23Å
400	E	93.2	Very high	89.7	Confident	77 Å²	77	58.5 Å²	58.5	36%	0.36	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-40.4	177.8	-60.7	-66.2	-174.9	0	0	112.2	K378 E396 E397 L402 I403 V404	K378-E400 VanDerWaalsContact CD-OE1 3.32Å; K378-E400 WeakPolarHBondContact CD-OE1 3.19Å; K378-E400 WeakPolarHBondContact CE-OE1 3.24Å; K378-E400 IonicContact NZ-OE1 2.67Å; K378-E400 PolarHBondContact NZ-OE1 3.29Å; E396-E400 WeakPolarHBondContact O-CG 3.32Å; E396-E400 PolarHBondContact O-N 3.04Å; E397-E400 PolarHBondContact O-N 2.83Å; E400-L402 PolarHBondContact O-N 3.36Å; E400-I403 PolarHBondContact O-N 2.89Å; E400-I403 VanDerWaalsContact O-N 3.15Å; E400-V404 WeakPolarHBondContact O-CG2 3.48Å; E400-V404 PolarHBondContact O-N 3.06Å
401	E	92.4	Very high	89.1	Confident	86 Å²	86	57.9 Å²	57.9	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-50	-42.1	171.1	-75.1	169.7	-158.7	0	0	110.9	R394 E397 F405	R394-E401 IonicContact CZ-OE1 2.76Å; R394-E401 IonicContact NH1-OE1 3.31Å; R394-E401 PolarHBondContact NH1-OE1 3.38Å; R394-E401 IonicContact NH2-OE1 3.77Å; R394-E401 PolarHBondContact NH2-OE1 2.88Å; R394-E401 IonicContact NH2-OE2 3.66Å; E397-E401 VanDerWaalsContact O-CG 3.3Å; E397-E401 WeakPolarHBondContact O-CG 3.38Å; E397-E401 PolarHBondContact O-N 2.81Å; E401-F405 PolarHBondContact O-N 3.03Å; E401-F405 VanDerWaalsContact O-N 3.09Å
402	L	89.1	Confident	88.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.2	-46.4	176.8	164.2	77.3	0	0	0	113.6	I52 V398 F399 E400 V404 F405 L406 H494 V498	I52-L402 HydrophobicContact CB-CD2 4.01Å; I52-L402 HydrophobicContact CD1-CD1 3.79Å; I52-L402 HydrophobicContact CD1-CD2 3.36Å; I52-L402 HydrophobicContact CD1-CG 4.14Å; I52-L402 HydrophobicContact CG1-CD1 4.5Å; I52-L402 HydrophobicContact CG1-CD2 3.42Å; I52-L402 VanDerWaalsContact CG1-CD2 3.42Å; I52-L402 HydrophobicContact CG2-CD1 3.68Å; I52-L402 HydrophobicContact CG2-CD2 3.81Å; I52-L402 HydrophobicContact CG2-CG 4.12Å; V398-L402 VanDerWaalsContact O-CB 3.27Å; V398-L402 WeakPolarHBondContact O-CB 3.44Å; V398-L402 PolarHBondContact O-N 3.25Å; F399-L402 WeakPolarHBondContact O-CB 3.1Å; F399-L402 PolarHBondContact O-N 2.95Å; E400-L402 PolarHBondContact O-N 3.36Å; L402-V404 PolarHBondContact O-N 3.43Å; L402-F405 WeakPolarHBondContact O-CA 3.41Å; L402-F405 WeakPolarHBondContact O-CB 3.07Å; L402-F405 PolarHBondContact O-N 2.96Å; L402-F405 VanDerWaalsContact O-N 3.07Å; L402-L406 HydrophobicContact CD1-CG 4.22Å; L402-L406 WeakPolarHBondContact O-CG 3.42Å; L402-L406 PolarHBondContact O-N 3.19Å; L402-H494 HydrophobicContact CB-CB 4.36Å; L402-H494 HydrophobicContact CD1-CB 3.64Å; L402-V498 HydrophobicContact CB-CG2 4.46Å; L402-V498 HydrophobicContact CD2-CG2 3.99Å
403	I	88.1	Confident	88	Confident	18 Å²	18	61 Å²	61	9%	0.092	29%	0.291	C	S	.	.	H	α-helix	trans	-58.3	-43.7	179	-72.6	-65.2	0	0	0	108.9	L54 L55 A374 F399 E400 F405 L406 E407	L54-I403 HydrophobicContact CB-CD1 3.79Å; L54-I403 HydrophobicContact CD1-CD1 4.39Å; L55-I403 HydrophobicContact CD1-CG2 3.71Å; L55-I403 WeakPolarHBondContact CD1-O 3.19Å; A374-I403 HydrophobicContact CB-CD1 4.27Å; F399-I403 HydrophobicContact CD1-CG1 3.73Å; F399-I403 HydrophobicContact CE1-CD1 3.89Å; F399-I403 HydrophobicContact CE1-CG1 3.5Å; F399-I403 HydrophobicContact CZ-CD1 4.33Å; F399-I403 HydrophobicContact CZ-CG1 4.37Å; F399-I403 VanDerWaalsContact O-CG1 3.32Å; F399-I403 WeakPolarHBondContact O-CG1 3.41Å; F399-I403 PolarHBondContact O-N 3.23Å; E400-I403 PolarHBondContact O-N 2.89Å; E400-I403 VanDerWaalsContact O-N 3.15Å; I403-F405 PolarHBondContact O-N 3.46Å; I403-L406 PolarHBondContact O-N 3Å; I403-E407 PolarHBondContact O-N 2.74Å; I403-E407 VanDerWaalsContact O-N 3.13Å
404	V	89.6	Confident	87.5	Confident	75 Å²	75	57.8 Å²	57.8	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-43.5	172.3	174.9	0	0	0	0	111.9	E400 L402 L406 E407 H408	E400-V404 WeakPolarHBondContact O-CG2 3.48Å; E400-V404 PolarHBondContact O-N 3.06Å; L402-V404 PolarHBondContact O-N 3.43Å; V404-L406 PolarHBondContact O-N 2.74Å; V404-E407 WeakPolarHBondContact O-CB 3.39Å; V404-E407 PolarHBondContact O-N 3.41Å; V404-E407 VanDerWaalsContact O-N 3.15Å; V404-H408 PolarHBondContact O-ND1 2.88Å
405	F	88.1	Confident	87	Confident	14 Å²	14	52.8 Å²	52.8	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-47.6	173.9	170.5	-89.4	0	0	0	112.2	E401 L402 I403 E407 H408 H411 F491 H494	E401-F405 PolarHBondContact O-N 3.03Å; E401-F405 VanDerWaalsContact O-N 3.09Å; L402-F405 WeakPolarHBondContact O-CA 3.41Å; L402-F405 WeakPolarHBondContact O-CB 3.07Å; L402-F405 PolarHBondContact O-N 2.96Å; L402-F405 VanDerWaalsContact O-N 3.07Å; I403-F405 PolarHBondContact O-N 3.46Å; F405-E407 PolarHBondContact O-N 3.14Å; F405-H408 PolarHBondContact O-N 3.4Å; F405-H408 VanDerWaalsContact O-N 3.11Å; F405-H411 AromaticContact CD2-CD2 3.81Å; F405-H411 HydrophobicContact CE2-CB 3.9Å; F405-H411 AromaticContact CE2-CD2 3.4Å; F405-H411 VanDerWaalsContact CE2-CD2 3.4Å; F405-H411 WeakPolarHBondContact CE2-CD2 3.33Å; F405-H411 AromaticContact CE2-CG 3.84Å; F405-H411 HydrophobicContact CZ-CB 3.78Å; F405-F491 HydrophobicContact CE1-CB 4.09Å; F405-F491 HydrophobicContact CZ-CB 4.49Å; F405-H494 AromaticContact CD2-CD2 3.5Å; F405-H494 VanDerWaalsContact CD2-CD2 3.5Å; F405-H494 WeakPolarHBondContact CD2-CD2 3.41Å; F405-H494 AromaticContact CD2-NE2 3.33Å; F405-H494 VanDerWaalsContact CD2-NE2 3.33Å; F405-H494 WeakPolarHBondContact CD2-NE2 3.49Å; F405-H494 AromaticContact CE2-CD2 3.87Å; F405-H494 AromaticContact CE2-NE2 3.94Å; F405-H494 AromaticContact CG-CD2 3.59Å; F405-H494 AromaticContact CG-NE2 3.72Å
406	L	82.9	Confident	86.6	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-14.5	178.5	-65	-177.4	0	0	0	113.8	I52 L55 L56 L402 I403 V404 W412 F491	I52-L406 HydrophobicContact CG2-CD1 3.89Å; I52-L406 HydrophobicContact CG2-CD2 4.49Å; L55-L406 HydrophobicContact CB-CB 3.79Å; L55-L406 WeakPolarHBondContact CB-O 3.34Å; L55-L406 HydrophobicContact CD1-CB 4.44Å; L56-L406 HydrophobicContact CD2-CD2 3.8Å; L56-L406 HydrophobicContact CG-CD1 4.27Å; L56-L406 HydrophobicContact CG-CD2 3.95Å; L402-L406 HydrophobicContact CD1-CG 4.22Å; L402-L406 WeakPolarHBondContact O-CG 3.42Å; L402-L406 PolarHBondContact O-N 3.19Å; I403-L406 PolarHBondContact O-N 3Å; V404-L406 PolarHBondContact O-N 2.74Å; L406-W412 WeakPolarHBondContact O-CH2 3.44Å; L406-W412 VanDerWaalsContact O-CZ3 3.28Å; L406-W412 WeakPolarHBondContact O-CZ3 3.2Å; L406-F491 HydrophobicContact CD2-CD2 3.78Å; L406-F491 HydrophobicContact CD2-CE2 3.91Å
407	E	82.4	Confident	86.2	Confident	81 Å²	81	58 Å²	58	38%	0.379	29%	0.29	S	S	.	.	H	α-helix	trans	-77.2	-26.5	174.8	-141.8	163.7	-113	0	0	112	L55 R59 I403 V404 F405	L55-E407 HydrophobicContact CD1-CB 3.88Å; L55-E407 HydrophobicContact CD1-CG 3.89Å; L55-E407 HydrophobicContact CD2-CG 4.31Å; R59-E407 PolarHBondContact NH1-O 3.36Å; I403-E407 PolarHBondContact O-N 2.74Å; I403-E407 VanDerWaalsContact O-N 3.13Å; V404-E407 WeakPolarHBondContact O-CB 3.39Å; V404-E407 PolarHBondContact O-N 3.41Å; V404-E407 VanDerWaalsContact O-N 3.15Å; F405-E407 PolarHBondContact O-N 3.14Å
408	H	79.9	Confident	85.8	Confident	91 Å²	91	54.3 Å²	54.3	42%	0.421	27%	0.273	S	S	.	.			trans	-82.3	133.6	-176.8	-68.9	75.1	0	0	0	111.9	V404 F405 D410	V404-H408 PolarHBondContact O-ND1 2.88Å; F405-H408 PolarHBondContact O-N 3.4Å; F405-H408 VanDerWaalsContact O-N 3.11Å; H408-D410 VanDerWaalsContact C-N 3.31Å; H408-D410 PolarHBondContact O-N 2.82Å
409	S	74.3	Confident	85.4	Confident	53 Å²	53	54.1 Å²	54.1	37%	0.371	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-78	-13	-175.4	43.3	0	0	0	0	114.9	H411	S409-H411 PolarHBondContact O-N 3.35Å
410	D	81.9	Confident	85.1	Confident	120 Å²	120	56.7 Å²	56.7	64%	0.642	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-93.4	-3.5	-154	-54.4	-8.3	0	0	0	112.4	H408	H408-D410 VanDerWaalsContact C-N 3.31Å; H408-D410 PolarHBondContact O-N 2.82Å
411	H	80.2	Confident	84.7	Confident	66 Å²	66	57.3 Å²	57.3	31%	0.306	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-115.3	11.9	-179.3	-45.9	-39.9	0	0	0	111.7	F405 S409 T415	F405-H411 AromaticContact CD2-CD2 3.81Å; F405-H411 HydrophobicContact CE2-CB 3.9Å; F405-H411 AromaticContact CE2-CD2 3.4Å; F405-H411 VanDerWaalsContact CE2-CD2 3.4Å; F405-H411 WeakPolarHBondContact CE2-CD2 3.33Å; F405-H411 AromaticContact CE2-CG 3.84Å; F405-H411 HydrophobicContact CZ-CB 3.78Å; S409-H411 PolarHBondContact O-N 3.35Å; H411-T415 WeakPolarHBondContact O-CB 3.49Å; H411-T415 PolarHBondContact O-N 3.48Å; H411-T415 PolarHBondContact O-OG1 3.37Å
412	W	79.2	Confident	84.1	Confident	35 Å²	35	56.9 Å²	56.9	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-74.8	-38	-169.2	-137.9	-100.5	0	0	0	114	L56 L406 T415 E416	L56-W412 VanDerWaalsContact C-CZ2 3.46Å; L56-W412 HydrophobicContact CD2-CH2 4.22Å; L56-W412 HydrophobicContact CD2-CZ2 4.18Å; L56-W412 VanDerWaalsContact O-CZ2 3.31Å; L56-W412 WeakPolarHBondContact O-CZ2 3.44Å; L406-W412 WeakPolarHBondContact O-CH2 3.44Å; L406-W412 VanDerWaalsContact O-CZ3 3.28Å; L406-W412 WeakPolarHBondContact O-CZ3 3.2Å; W412-T415 CarbonylContact O-C 3.57Å; W412-T415 WeakPolarHBondContact O-CB 3.18Å; W412-T415 PolarHBondContact O-N 3.46Å; W412-E416 WeakPolarHBondContact O-CB 3.23Å; W412-E416 PolarHBondContact O-N 2.97Å
413	E	84.8	Confident	83.8	Confident	144 Å²	144	58.2 Å²	58.2	67%	0.673	32%	0.315	S	S	*	.	H	α-helix	trans	-70.3	-39.5	-179.2	-65.5	173.9	-165.3	0	0	109.7	T415 E416 L417	E413-T415 PolarHBondContact O-N 3.31Å; E413-E416 PolarHBondContact O-N 2.91Å; E413-L417 VanDerWaalsContact O-CG 3.3Å; E413-L417 WeakPolarHBondContact O-CG 3.43Å; E413-L417 PolarHBondContact O-N 3.18Å
414	D	85.1	Confident	83.7	Confident	80 Å²	80	57.5 Å²	57.5	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-41.4	167.4	-66.8	-45.2	0	0	0	112.2	L417 E418	D414-L417 PolarHBondContact O-N 3.3Å; D414-E418 WeakPolarHBondContact O-CB 3.36Å; D414-E418 WeakPolarHBondContact O-CG 3.06Å; D414-E418 PolarHBondContact O-N 3.07Å
415	T	85.3	Confident	83.1	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-40.3	177.9	-61.7	0	0	0	0	112.1	L56 H411 W412 E413 L417 E418 L419 F491	L56-T415 HydrophobicContact CD2-CG2 4.25Å; H411-T415 WeakPolarHBondContact O-CB 3.49Å; H411-T415 PolarHBondContact O-N 3.48Å; H411-T415 PolarHBondContact O-OG1 3.37Å; W412-T415 CarbonylContact O-C 3.57Å; W412-T415 WeakPolarHBondContact O-CB 3.18Å; W412-T415 PolarHBondContact O-N 3.46Å; E413-T415 PolarHBondContact O-N 3.31Å; T415-L417 VanDerWaalsContact C-N 3.32Å; T415-L417 PolarHBondContact O-N 3.4Å; T415-E418 PolarHBondContact O-N 3.09Å; T415-L419 HydrophobicContact CG2-CD1 3.86Å; T415-L419 WeakPolarHBondContact O-CB 3.39Å; T415-L419 WeakPolarHBondContact O-CG 3.36Å; T415-L419 PolarHBondContact O-N 2.88Å; T415-F491 HydrophobicContact CG2-CB 3.72Å; T415-F491 HydrophobicContact CG2-CD2 3.83Å; T415-F491 HydrophobicContact CG2-CG 3.83Å
416	E	85.8	Confident	82.9	Confident	57 Å²	57	65.2 Å²	65.2	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.5	-161.2	152.9	-175.1	0	0	109.9	R60 W412 E413 A420 L427	R60-E416 IonicContact CZ-OE1 3.68Å; R60-E416 IonicContact CZ-OE2 2.62Å; R60-E416 IonicContact NH2-OE1 2.67Å; R60-E416 PolarHBondContact NH2-OE1 3.3Å; R60-E416 IonicContact NH2-OE2 3.62Å; R60-E416 PolarHBondContact NH2-OE2 2.64Å; W412-E416 WeakPolarHBondContact O-CB 3.23Å; W412-E416 PolarHBondContact O-N 2.97Å; E413-E416 PolarHBondContact O-N 2.91Å; E416-A420 WeakPolarHBondContact O-CB 3.09Å; E416-A420 PolarHBondContact O-N 3.44Å; E416-L427 HydrophobicContact CB-CD1 3.73Å; E416-L427 HydrophobicContact CB-CG 4.47Å; E416-L427 HydrophobicContact CG-CD1 3.63Å; E416-L427 HydrophobicContact CG-CG 4Å
417	L	86.4	Confident	83.1	Confident	119 Å²	119	66 Å²	66	62%	0.623	34%	0.339	S	S	*	.	H	α-helix	trans	-70.2	-40.5	174	-67.4	170.3	0	0	0	113.7	E413 D414 T415 L419 S421	E413-L417 VanDerWaalsContact O-CG 3.3Å; E413-L417 WeakPolarHBondContact O-CG 3.43Å; E413-L417 PolarHBondContact O-N 3.18Å; D414-L417 PolarHBondContact O-N 3.3Å; T415-L417 VanDerWaalsContact C-N 3.32Å; T415-L417 PolarHBondContact O-N 3.4Å; L417-L419 VanDerWaalsContact C-N 3.33Å; L417-L419 PolarHBondContact O-N 3.23Å; L417-S421 WeakPolarHBondContact O-CB 3.2Å; L417-S421 PolarHBondContact O-N 3.07Å; L417-S421 PolarHBondContact O-OG 3.48Å
418	E	86.9	Confident	83.4	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.075	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-38.9	176.7	-78.6	-160	144.5	0	0	111.9	D414 T415 S421 R422 F491 I492	D414-E418 WeakPolarHBondContact O-CB 3.36Å; D414-E418 WeakPolarHBondContact O-CG 3.06Å; D414-E418 PolarHBondContact O-N 3.07Å; T415-E418 PolarHBondContact O-N 3.09Å; E418-S421 PolarHBondContact O-OG 3.05Å; E418-R422 PolarHBondContact O-NH1 3.2Å; E418-F491 PolarHBondContact OE2-N 2.88Å; E418-F491 VanDerWaalsContact OE2-N 3.08Å; E418-I492 HydrophobicContact CB-CG1 4.07Å; E418-I492 HydrophobicContact CG-CG1 4.43Å; E418-I492 WeakPolarHBondContact OE2-CB 3.27Å; E418-I492 VanDerWaalsContact OE2-CG1 3.31Å; E418-I492 WeakPolarHBondContact OE2-CG1 3.38Å; E418-I492 PolarHBondContact OE2-N 3.45Å
419	L	85.7	Confident	83.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-78.5	-41.6	178.2	-74.3	167.8	0	0	0	112.2	T415 L417 S421 R422 G423 V424 L427 V432 F436 F491	T415-L419 HydrophobicContact CG2-CD1 3.86Å; T415-L419 WeakPolarHBondContact O-CB 3.39Å; T415-L419 WeakPolarHBondContact O-CG 3.36Å; T415-L419 PolarHBondContact O-N 2.88Å; L417-L419 VanDerWaalsContact C-N 3.33Å; L417-L419 PolarHBondContact O-N 3.23Å; L419-S421 VanDerWaalsContact C-N 3.26Å; L419-S421 PolarHBondContact O-N 3.21Å; L419-R422 CarbonylContact O-C 3.39Å; L419-R422 WeakPolarHBondContact O-CA 3.46Å; L419-R422 WeakPolarHBondContact O-CB 3.45Å; L419-R422 PolarHBondContact O-N 3.19Å; L419-G423 PolarHBondContact O-N 3.41Å; L419-V424 HydrophobicContact CB-CB 4.08Å; L419-V424 HydrophobicContact CB-CG1 4.27Å; L419-V424 HydrophobicContact CD2-CG2 4.49Å; L419-V424 PolarHBondContact O-N 2.86Å; L419-V424 VanDerWaalsContact O-N 3.15Å; L419-L427 HydrophobicContact CB-CD2 4.07Å; L419-L427 HydrophobicContact CD1-CD2 3.47Å; L419-L427 VanDerWaalsContact CD1-CD2 3.47Å; L419-L427 HydrophobicContact CG-CD2 4.41Å; L419-V432 HydrophobicContact CD1-CG1 4.47Å; L419-V432 HydrophobicContact CD1-CG2 4.1Å; L419-V432 HydrophobicContact CD2-CG1 4.45Å; L419-F436 HydrophobicContact CD2-CD1 4.28Å; L419-F436 HydrophobicContact CD2-CE1 4.14Å; L419-F491 HydrophobicContact CD1-CD1 4.49Å; L419-F491 HydrophobicContact CD1-CE1 4.33Å; L419-F491 HydrophobicContact CD1-CZ 4.45Å; L419-F491 HydrophobicContact CD2-CD1 4.3Å; L419-F491 HydrophobicContact CD2-CE1 3.83Å; L419-F491 HydrophobicContact CD2-CZ 4.44Å; L419-F491 HydrophobicContact CG-CD1 4.36Å; L419-F491 HydrophobicContact CG-CE1 4.3Å
420	A	86.4	Confident	84.8	Confident	55 Å²	55	56.3 Å²	56.3	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-37.5	173	0	0	0	0	0	112.1	E416 R422 G423 V424	E416-A420 WeakPolarHBondContact O-CB 3.09Å; E416-A420 PolarHBondContact O-N 3.44Å; A420-R422 PolarHBondContact O-N 2.95Å; A420-G423 PolarHBondContact O-N 2.89Å; A420-V424 WeakPolarHBondContact CA-O 3.35Å; A420-V424 PolarHBondContact N-O 3.45Å
421	S	84.6	Confident	85.3	Confident	90 Å²	90	50.6 Å²	50.6	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-10.1	174.6	77.5	0	0	0	0	114.7	L417 E418 L419	L417-S421 WeakPolarHBondContact O-CB 3.2Å; L417-S421 PolarHBondContact O-N 3.07Å; L417-S421 PolarHBondContact O-OG 3.48Å; E418-S421 PolarHBondContact O-OG 3.05Å; L419-S421 VanDerWaalsContact C-N 3.26Å; L419-S421 PolarHBondContact O-N 3.21Å
422	R	79.4	Confident	85.8	Confident	76 Å²	76	47.6 Å²	47.6	29%	0.287	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	7.1	175.4	-67.5	168.9	171.9	71.2	3.5	113	E418 L419 A420 F436 I492	E418-R422 PolarHBondContact O-NH1 3.2Å; L419-R422 CarbonylContact O-C 3.39Å; L419-R422 WeakPolarHBondContact O-CA 3.46Å; L419-R422 WeakPolarHBondContact O-CB 3.45Å; L419-R422 PolarHBondContact O-N 3.19Å; A420-R422 PolarHBondContact O-N 2.95Å; R422-F436 HydrophobicContact CB-CE2 4.27Å; R422-F436 HydrophobicContact CB-CZ 4.4Å; R422-I492 VanDerWaalsContact CZ-CD1 3.47Å
423	G	82.9	Confident	86.2	Confident	29 Å²	29	46.1 Å²	46.1	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	1.9	180	0	0	0	0	0	115	R334 L419 A420 R425	R334-G423 WeakPolarHBondContact CG-O 3.39Å; L419-G423 PolarHBondContact O-N 3.41Å; A420-G423 PolarHBondContact O-N 2.89Å; G423-R425 PolarHBondContact O-N 3.34Å; G423-R425 VanDerWaalsContact O-N 3.09Å
424	V	85.6	Confident	86.6	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.209	C	C	.	.			trans	-78.1	93.5	172.1	177.1	0	0	0	0	108.4	L419 A420 H426 D431 V432 F436	L419-V424 HydrophobicContact CB-CB 4.08Å; L419-V424 HydrophobicContact CB-CG1 4.27Å; L419-V424 HydrophobicContact CD2-CG2 4.49Å; L419-V424 PolarHBondContact O-N 2.86Å; L419-V424 VanDerWaalsContact O-N 3.15Å; A420-V424 WeakPolarHBondContact CA-O 3.35Å; A420-V424 PolarHBondContact N-O 3.45Å; V424-H426 WeakPolarHBondContact CG1-O 3.45Å; V424-D431 HydrophobicContact CG1-CB 4.18Å; V424-V432 HydrophobicContact CG1-CG2 3.85Å; V424-F436 HydrophobicContact CG2-CB 3.64Å; V424-F436 HydrophobicContact CG2-CD1 3.99Å; V424-F436 HydrophobicContact CG2-CD2 4.09Å; V424-F436 HydrophobicContact CG2-CG 3.6Å
425	R	78.1	Confident	86.9	Confident	180 Å²	180	36 Å²	36	68%	0.679	19%	0.189	S	C	*	.			trans	-79.3	-25.7	-175.6	-64.4	-176.2	-178.5	-170.7	1.8	114	G423	G423-R425 PolarHBondContact O-N 3.34Å; G423-R425 VanDerWaalsContact O-N 3.09Å
426	H	82.7	Confident	87.1	Confident	71 Å²	71	37 Å²	37	33%	0.329	19%	0.193	S	C	.	.	S	Bend	trans	-117.6	126	179.5	-64	-79.3	0	0	0	109.4	S332 R357 V424 N428 D431	S332-H426 PolarHBondContact OG-NE2 3.4Å; R357-H426 PolarHBondContact NH2-CD2 2.89Å; V424-H426 WeakPolarHBondContact CG1-O 3.45Å; H426-N428 PolarHBondContact O-N 3.28Å; H426-D431 VanDerWaalsContact O-CB 3.24Å; H426-D431 WeakPolarHBondContact O-CB 3.28Å
427	L	86.7	Confident	87.1	Confident	20 Å²	20	34.3 Å²	34.3	11%	0.105	18%	0.18	C	C	.	.			trans	-78.1	74.6	170.7	-66.9	-171.6	0	0	0	110.2	E416 L419 V432	E416-L427 HydrophobicContact CB-CD1 3.73Å; E416-L427 HydrophobicContact CB-CG 4.47Å; E416-L427 HydrophobicContact CG-CD1 3.63Å; E416-L427 HydrophobicContact CG-CG 4Å; L419-L427 HydrophobicContact CB-CD2 4.07Å; L419-L427 HydrophobicContact CD1-CD2 3.47Å; L419-L427 VanDerWaalsContact CD1-CD2 3.47Å; L419-L427 HydrophobicContact CG-CD2 4.41Å; L427-V432 HydrophobicContact CD2-CG2 4.36Å
428	N	90.3	Very high	87.2	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.156	C	C	.	.			trans	-119.3	157.6	174.4	-163.8	-81.3	0	0	0	111.1	R357 C360 H426 Y430 D431 V432	R357-N428 HydrophobicContact CG-CB 4.14Å; R357-N428 PolarHBondContact O-ND2 3.38Å; C360-N428 WeakPolarHBondContact CB-OD1 3.31Å; H426-N428 PolarHBondContact O-N 3.28Å; N428-Y430 VanDerWaalsContact C-N 3.29Å; N428-Y430 PolarHBondContact O-N 3.13Å; N428-Y430 PolarHBondContact OD1-N 3.32Å; N428-D431 HydrophobicContact CB-CB 4.45Å; N428-D431 PolarHBondContact O-N 2.93Å; N428-V432 WeakPolarHBondContact O-CB 3.31Å; N428-V432 WeakPolarHBondContact O-CG2 3.43Å; N428-V432 PolarHBondContact O-N 2.91Å
429	F	89.7	Confident	87.3	Confident	16 Å²	16	29 Å²	29	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-44.9	172.8	-173.7	-100.7	0	0	0	111.3	S53 C360 L364 L373 V433 L434	S53-F429 WeakPolarHBondContact O-CD2 3.48Å; S53-F429 WeakPolarHBondContact O-CE2 3.35Å; C360-F429 HydrophobicContact CB-CB 3.93Å; L364-F429 HydrophobicContact CD1-CB 3.74Å; L364-F429 HydrophobicContact CD1-CD2 3.77Å; L364-F429 HydrophobicContact CD1-CG 4.07Å; L373-F429 HydrophobicContact CD1-CE2 4.29Å; L373-F429 HydrophobicContact CD1-CZ 4.37Å; L373-F429 HydrophobicContact CD2-CZ 4.05Å; F429-V433 HydrophobicContact CD2-CB 4.23Å; F429-V433 HydrophobicContact CD2-CG2 3.74Å; F429-V433 HydrophobicContact CE2-CB 4.27Å; F429-V433 HydrophobicContact CE2-CG1 4.22Å; F429-V433 HydrophobicContact CE2-CG2 4.01Å; F429-V433 HydrophobicContact CG-CB 4.45Å; F429-V433 HydrophobicContact CG-CG2 4.24Å; F429-V433 HydrophobicContact CZ-CB 4.47Å; F429-V433 HydrophobicContact CZ-CG1 4.2Å; F429-V433 WeakPolarHBondContact O-CA 3.41Å; F429-V433 WeakPolarHBondContact O-CB 3.5Å; F429-V433 WeakPolarHBondContact O-CG2 3.48Å; F429-V433 PolarHBondContact O-N 3.43Å; F429-L434 HydrophobicContact CD1-CD1 3.95Å; F429-L434 HydrophobicContact CD1-CD2 4.49Å; F429-L434 HydrophobicContact CD1-CG 4.01Å; F429-L434 HydrophobicContact CE1-CD1 3.95Å; F429-L434 HydrophobicContact CE1-CD2 3.85Å; F429-L434 HydrophobicContact CE1-CG 3.87Å; F429-L434 PolarHBondContact O-N 3.25Å
430	Y	93.7	Very high	87.4	Confident	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.162	C	C	.	.	I	π-helix	trans	-58.8	-57.6	177.6	-176.7	-80.3	0	0	0	110.9	L341 L353 V356 N428 V432 L434 D435 L532 F536	L341-Y430 WeakPolarHBondContact CD1-OH 3.47Å; L353-Y430 HydrophobicContact CD1-CD1 3.26Å; L353-Y430 HydrophobicContact CD1-CD2 4.35Å; L353-Y430 HydrophobicContact CD1-CE1 3.34Å; L353-Y430 HydrophobicContact CD1-CE2 4.4Å; L353-Y430 HydrophobicContact CD1-CG 3.83Å; V356-Y430 HydrophobicContact CG1-CD2 3.82Å; V356-Y430 HydrophobicContact CG1-CG 4.44Å; N428-Y430 VanDerWaalsContact C-N 3.29Å; N428-Y430 PolarHBondContact O-N 3.13Å; N428-Y430 PolarHBondContact OD1-N 3.32Å; Y430-V432 PolarHBondContact O-N 3.41Å; Y430-L434 HydrophobicContact CD2-CB 4.32Å; Y430-L434 HydrophobicContact CD2-CD1 3.94Å; Y430-L434 PolarHBondContact O-N 2.97Å; Y430-L434 VanDerWaalsContact O-N 3.1Å; Y430-D435 HydrophobicContact CD1-CB 4.12Å; Y430-D435 HydrophobicContact CE1-CB 3.71Å; Y430-D435 WeakPolarHBondContact O-CB 3.43Å; Y430-D435 PolarHBondContact O-N 3.35Å; Y430-L532 HydrophobicContact CD2-CD2 4.26Å; Y430-L532 HydrophobicContact CE2-CD2 3.66Å; Y430-F536 HydrophobicContact CD2-CE2 4.28Å; Y430-F536 HydrophobicContact CD2-CZ 4.42Å; Y430-F536 AromaticContact CE2-CE2 3.6Å; Y430-F536 HydrophobicContact CE2-CE2 3.6Å; Y430-F536 AromaticContact CE2-CZ 3.68Å; Y430-F536 HydrophobicContact CE2-CZ 3.68Å
431	D	92.4	Very high	87.3	Confident	1 Å²	1	28 Å²	28	1%	0.005	14%	0.14	C	C	.	.	I	π-helix	trans	-61	-42.8	-174.7	-69.8	-101.6	0	0	0	114.1	R357 V424 H426 N428 F436	R357-D431 IonicContact CZ-OD1 3.66Å; R357-D431 IonicContact CZ-OD2 3.98Å; R357-D431 IonicContact NE-OD1 3.25Å; R357-D431 IonicContact NE-OD2 3.26Å; R357-D431 PolarHBondContact NE-OD2 3.27Å; R357-D431 IonicContact NH2-OD1 3.38Å; R357-D431 PolarHBondContact NH2-OD1 3.2Å; R357-D431 IonicContact NH2-OD2 2.73Å; R357-D431 PolarHBondContact NH2-OD2 3.43Å; V424-D431 HydrophobicContact CG1-CB 4.18Å; H426-D431 VanDerWaalsContact O-CB 3.24Å; H426-D431 WeakPolarHBondContact O-CB 3.28Å; N428-D431 HydrophobicContact CB-CB 4.45Å; N428-D431 PolarHBondContact O-N 2.93Å; D431-F436 WeakPolarHBondContact O-CB 3.05Å; D431-F436 PolarHBondContact O-N 2.87Å; D431-F436 VanDerWaalsContact O-N 3.08Å
432	V	90.2	Very high	87.3	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.012	11%	0.111	C	C	.	.	I	π-helix	trans	-81.6	-46.2	-177.8	180	0	0	0	0	111.3	L56 L419 V424 L427 N428 Y430 I437 F491	L56-V432 HydrophobicContact CD1-CB 4.35Å; L56-V432 HydrophobicContact CD1-CG1 3.73Å; L56-V432 HydrophobicContact CD1-CG2 4.47Å; L419-V432 HydrophobicContact CD1-CG1 4.47Å; L419-V432 HydrophobicContact CD1-CG2 4.1Å; L419-V432 HydrophobicContact CD2-CG1 4.45Å; V424-V432 HydrophobicContact CG1-CG2 3.85Å; L427-V432 HydrophobicContact CD2-CG2 4.36Å; N428-V432 WeakPolarHBondContact O-CB 3.31Å; N428-V432 WeakPolarHBondContact O-CG2 3.43Å; N428-V432 PolarHBondContact O-N 2.91Å; Y430-V432 PolarHBondContact O-N 3.41Å; V432-I437 HydrophobicContact CG1-CD1 4.12Å; V432-I437 WeakPolarHBondContact O-CB 3.22Å; V432-I437 WeakPolarHBondContact O-CD1 3.39Å; V432-I437 WeakPolarHBondContact O-CG1 3.22Å; V432-I437 PolarHBondContact O-N 3.39Å; V432-I437 VanDerWaalsContact O-N 3.09Å; V432-F491 HydrophobicContact CG1-CZ 4.32Å
433	V	88	Confident	87.6	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.03	11%	0.111	C	C	.	.	I	π-helix	trans	-94.6	-60.9	-165.7	-175.3	0	0	0	0	110.8	S53 F429 I437 L438	S53-V433 VanDerWaalsContact CA-CG2 3.41Å; S53-V433 VanDerWaalsContact CB-CG2 3.41Å; S53-V433 WeakPolarHBondContact OG-CG1 3.39Å; F429-V433 HydrophobicContact CD2-CB 4.23Å; F429-V433 HydrophobicContact CD2-CG2 3.74Å; F429-V433 HydrophobicContact CE2-CB 4.27Å; F429-V433 HydrophobicContact CE2-CG1 4.22Å; F429-V433 HydrophobicContact CE2-CG2 4.01Å; F429-V433 HydrophobicContact CG-CB 4.45Å; F429-V433 HydrophobicContact CG-CG2 4.24Å; F429-V433 HydrophobicContact CZ-CB 4.47Å; F429-V433 HydrophobicContact CZ-CG1 4.2Å; F429-V433 WeakPolarHBondContact O-CA 3.41Å; F429-V433 WeakPolarHBondContact O-CB 3.5Å; F429-V433 WeakPolarHBondContact O-CG2 3.48Å; F429-V433 PolarHBondContact O-N 3.43Å; V433-I437 WeakPolarHBondContact O-CB 3.34Å; V433-I437 PolarHBondContact O-N 3.08Å; V433-L438 HydrophobicContact CG1-CD1 4.47Å; V433-L438 WeakPolarHBondContact O-CG 3.21Å; V433-L438 PolarHBondContact O-N 3.46Å
434	L	92.5	Very high	87.5	Confident	9 Å²	9	23.1 Å²	23.1	5%	0.047	10%	0.103	C	C	.	.	I	π-helix	trans	-72	-45.9	-171	-57.5	178.4	0	0	0	109.5	F429 Y430 L438 M439 F531 L532	F429-L434 HydrophobicContact CD1-CD1 3.95Å; F429-L434 HydrophobicContact CD1-CD2 4.49Å; F429-L434 HydrophobicContact CD1-CG 4.01Å; F429-L434 HydrophobicContact CE1-CD1 3.95Å; F429-L434 HydrophobicContact CE1-CD2 3.85Å; F429-L434 HydrophobicContact CE1-CG 3.87Å; F429-L434 PolarHBondContact O-N 3.25Å; Y430-L434 HydrophobicContact CD2-CB 4.32Å; Y430-L434 HydrophobicContact CD2-CD1 3.94Å; Y430-L434 PolarHBondContact O-N 2.97Å; Y430-L434 VanDerWaalsContact O-N 3.1Å; L434-L438 HydrophobicContact CD2-CD1 4.16Å; L434-L438 WeakPolarHBondContact O-CB 3.5Å; L434-M439 VanDerWaalsContact O-CG 3.28Å; L434-M439 WeakPolarHBondContact O-CG 3.15Å; L434-M439 PolarHBondContact O-N 2.73Å; L434-F531 HydrophobicContact CD1-CE1 4Å; L434-F531 HydrophobicContact CD2-CE1 4.41Å; L434-L532 HydrophobicContact CB-CD2 4.08Å; L434-L532 HydrophobicContact CD1-CD2 3.91Å
435	D	92	Very high	87.4	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.011	11%	0.107	C	C	.	.	I	π-helix	trans	-85.9	-66.5	-176	-170.5	20.9	0	0	0	112.4	R334 R337 Y430 I437 M439 D440	R334-D435 IonicContact CZ-OD1 3.87Å; R334-D435 IonicContact CZ-OD2 2.83Å; R334-D435 IonicContact NH1-OD1 2.64Å; R334-D435 IonicContact NH1-OD2 3.55Å; R334-D435 PolarHBondContact NH1-OD2 3.25Å; R334-D435 IonicContact NH2-OD1 2.79Å; R334-D435 PolarHBondContact NH2-OD1 3.3Å; R334-D435 IonicContact NH2-OD2 3.61Å; R334-D435 PolarHBondContact NH2-OD2 3.05Å; R337-D435 IonicContact CZ-OD1 3.15Å; R337-D435 IonicContact NE-OD1 2.78Å; R337-D435 PolarHBondContact NE-OD1 3.42Å; R337-D435 IonicContact NH2-OD1 2.87Å; Y430-D435 HydrophobicContact CD1-CB 4.12Å; Y430-D435 HydrophobicContact CE1-CB 3.71Å; Y430-D435 WeakPolarHBondContact O-CB 3.43Å; Y430-D435 PolarHBondContact O-N 3.35Å; D435-I437 PolarHBondContact O-N 3.46Å; D435-M439 WeakPolarHBondContact O-CB 3.33Å; D435-M439 PolarHBondContact O-N 3.41Å; D435-D440 PolarHBondContact O-N 3.09Å
436	F	88.8	Confident	87.6	Confident	22 Å²	22	20.3 Å²	20.3	10%	0.096	10%	0.099	C	C	.	.	I	π-helix	trans	-68	-34	-175.6	170.7	-111.7	0	0	0	115	L419 R422 V424 D431 F495	L419-F436 HydrophobicContact CD2-CD1 4.28Å; L419-F436 HydrophobicContact CD2-CE1 4.14Å; R422-F436 HydrophobicContact CB-CE2 4.27Å; R422-F436 HydrophobicContact CB-CZ 4.4Å; V424-F436 HydrophobicContact CG2-CB 3.64Å; V424-F436 HydrophobicContact CG2-CD1 3.99Å; V424-F436 HydrophobicContact CG2-CD2 4.09Å; V424-F436 HydrophobicContact CG2-CG 3.6Å; D431-F436 WeakPolarHBondContact O-CB 3.05Å; D431-F436 PolarHBondContact O-N 2.87Å; D431-F436 VanDerWaalsContact O-N 3.08Å; F436-F495 HydrophobicContact CE1-CE1 4.29Å
437	I	85.9	Confident	87.3	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-92.4	-49.8	-179.5	-75.1	170.2	0	0	0	111.9	I52 V432 V433 D435 S441 F495	I52-I437 HydrophobicContact CB-CD1 4.13Å; V432-I437 HydrophobicContact CG1-CD1 4.12Å; V432-I437 WeakPolarHBondContact O-CB 3.22Å; V432-I437 WeakPolarHBondContact O-CD1 3.39Å; V432-I437 WeakPolarHBondContact O-CG1 3.22Å; V432-I437 PolarHBondContact O-N 3.39Å; V432-I437 VanDerWaalsContact O-N 3.09Å; V433-I437 WeakPolarHBondContact O-CB 3.34Å; V433-I437 PolarHBondContact O-N 3.08Å; D435-I437 PolarHBondContact O-N 3.46Å; I437-S441 WeakPolarHBondContact O-CB 3.44Å; I437-S441 PolarHBondContact O-OG 3.38Å; I437-F495 HydrophobicContact CD1-CE2 4.32Å; I437-F495 HydrophobicContact CD1-CZ 4.25Å; I437-F495 HydrophobicContact CG1-CE2 4.31Å; I437-F495 HydrophobicContact CG1-CZ 3.86Å
438	L	89.1	Confident	86.9	Confident	21 Å²	21	21.1 Å²	21.1	11%	0.11	11%	0.106	C	C	.	.	I	π-helix	trans	-88.1	-53.5	-174	-59.5	179.2	0	0	0	113.2	F49 V433 L434 S441 F442 V528	F49-L438 HydrophobicContact CD1-CD2 3.65Å; F49-L438 HydrophobicContact CE1-CB 4.24Å; F49-L438 HydrophobicContact CE1-CD2 3.74Å; F49-L438 WeakPolarHBondContact CE1-O 3.48Å; F49-L438 WeakPolarHBondContact CZ-O 3.12Å; V433-L438 HydrophobicContact CG1-CD1 4.47Å; V433-L438 WeakPolarHBondContact O-CG 3.21Å; V433-L438 PolarHBondContact O-N 3.46Å; L434-L438 HydrophobicContact CD2-CD1 4.16Å; L434-L438 WeakPolarHBondContact O-CB 3.5Å; L438-S441 PolarHBondContact O-N 2.73Å; L438-F442 HydrophobicContact CB-CE2 4.11Å; L438-F442 WeakPolarHBondContact O-CD2 3.3Å; L438-F442 PolarHBondContact O-N 3.47Å; L438-V528 HydrophobicContact CB-CG1 4.37Å; L438-V528 HydrophobicContact CD1-CG1 3.84Å; L438-V528 HydrophobicContact CD1-CG2 4.3Å
439	M	89.5	Confident	86.4	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.02	12%	0.119	C	C	.	.	I	π-helix	trans	-65.3	-52.7	-176	-72.3	-52.3	-60.8	0	0	112.6	I340 L434 D435 S441 F442 E443 L529 L532	I340-M439 HydrophobicContact CD1-CE 4.29Å; I340-M439 HydrophobicContact CG2-CE 3.67Å; L434-M439 VanDerWaalsContact O-CG 3.28Å; L434-M439 WeakPolarHBondContact O-CG 3.15Å; L434-M439 PolarHBondContact O-N 2.73Å; D435-M439 WeakPolarHBondContact O-CB 3.33Å; D435-M439 PolarHBondContact O-N 3.41Å; M439-S441 PolarHBondContact O-N 3.45Å; M439-F442 PolarHBondContact O-N 3.31Å; M439-F442 HydrophobicContact SD-CD2 4.37Å; M439-E443 PolarHBondContact O-N 2.73Å; M439-L529 HydrophobicContact CE-CD2 3.66Å; M439-L529 HydrophobicContact SD-CD2 3.56Å; M439-L529 VanDerWaalsContact SD-CD2 3.56Å; M439-L532 HydrophobicContact CG-CD1 3.86Å; M439-L532 HydrophobicContact SD-CD1 3.5Å; M439-L532 WeakPolarHBondContact SD-CD1 3.24Å
440	D	86.1	Confident	85.9	Confident	32 Å²	32	28 Å²	28	17%	0.171	15%	0.145	C	C	.	.	H	α-helix	trans	-52.1	-45.6	177.3	-69.5	3.5	0	0	0	109.6	R334 R337 D435 F442 E443 D444	R334-D440 IonicContact CZ-OD1 2.94Å; R334-D440 IonicContact CZ-OD2 2.69Å; R334-D440 IonicContact NE-OD2 2.72Å; R334-D440 PolarHBondContact NE-OD2 3.1Å; R334-D440 IonicContact NH2-OD1 3.79Å; R334-D440 PolarHBondContact NH2-OD1 2.76Å; R334-D440 IonicContact NH2-OD2 2.96Å; R334-D440 PolarHBondContact NH2-OD2 2.9Å; R337-D440 IonicContact CZ-OD1 3.18Å; R337-D440 IonicContact NH2-OD1 3.89Å; R337-D440 PolarHBondContact NH2-OD1 2.91Å; D435-D440 PolarHBondContact O-N 3.09Å; D440-F442 PolarHBondContact O-N 2.76Å; D440-E443 PolarHBondContact O-N 3.39Å; D440-D444 WeakPolarHBondContact O-CB 3.27Å; D440-D444 PolarHBondContact O-N 3.16Å
441	S	84.1	Confident	85.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-22.8	-179.8	-56.4	0	0	0	0	114.9	T48 F49 I437 L438 M439 D444 L445	T48-S441 PolarHBondContact N-OG 2.67Å; T48-S441 PolarHBondContact O-OG 2.86Å; F49-S441 VanDerWaalsContact CD2-CB 3.44Å; F49-S441 WeakPolarHBondContact CE2-O 3.33Å; F49-S441 PolarHBondContact N-OG 3.26Å; F49-S441 VanDerWaalsContact N-OG 3.14Å; I437-S441 WeakPolarHBondContact O-CB 3.44Å; I437-S441 PolarHBondContact O-OG 3.38Å; L438-S441 PolarHBondContact O-N 2.73Å; M439-S441 PolarHBondContact O-N 3.45Å; S441-D444 WeakPolarHBondContact CA-OD1 3.29Å; S441-L445 WeakPolarHBondContact O-CG 3.48Å; S441-L445 PolarHBondContact O-N 2.82Å
442	F	85.9	Confident	85	Confident	5 Å²	5	32.7 Å²	32.7	2%	0.022	18%	0.176	C	C	.	.	H	α-helix	trans	-73.2	-44.6	172.5	-74.1	-54	0	0	0	110.5	F49 L438 M439 D440 D444 L445 E446 F510 F524 K525 V528	F49-F442 HydrophobicContact CE1-CD1 4.06Å; F49-F442 HydrophobicContact CE1-CD2 4.29Å; F49-F442 AromaticContact CE1-CE1 3.71Å; F49-F442 HydrophobicContact CE1-CE1 3.71Å; F49-F442 HydrophobicContact CE1-CE2 4.01Å; F49-F442 HydrophobicContact CE1-CG 4.29Å; F49-F442 AromaticContact CE1-CZ 3.69Å; F49-F442 HydrophobicContact CE1-CZ 3.69Å; F49-F442 HydrophobicContact CE2-CD1 4Å; F49-F442 HydrophobicContact CE2-CE1 4.17Å; F49-F442 HydrophobicContact CZ-CB 4.24Å; F49-F442 AromaticContact CZ-CD1 3.24Å; F49-F442 HydrophobicContact CZ-CD1 3.24Å; F49-F442 HydrophobicContact CZ-CD2 4.02Å; F49-F442 AromaticContact CZ-CE1 3.29Å; F49-F442 HydrophobicContact CZ-CE1 3.29Å; F49-F442 HydrophobicContact CZ-CE2 4.1Å; F49-F442 AromaticContact CZ-CG 3.58Å; F49-F442 HydrophobicContact CZ-CG 3.58Å; F49-F442 AromaticContact CZ-CZ 3.75Å; F49-F442 HydrophobicContact CZ-CZ 3.75Å; L438-F442 HydrophobicContact CB-CE2 4.11Å; L438-F442 WeakPolarHBondContact O-CD2 3.3Å; L438-F442 PolarHBondContact O-N 3.47Å; M439-F442 PolarHBondContact O-N 3.31Å; M439-F442 HydrophobicContact SD-CD2 4.37Å; D440-F442 PolarHBondContact O-N 2.76Å; F442-D444 VanDerWaalsContact C-N 3.3Å; F442-D444 PolarHBondContact O-N 2.95Å; F442-L445 PolarHBondContact O-N 3.39Å; F442-E446 WeakPolarHBondContact O-CG 3.41Å; F442-E446 PolarHBondContact O-N 3.41Å; F442-F510 HydrophobicContact CD1-CZ 4.26Å; F442-F510 HydrophobicContact CE1-CE2 4.47Å; F442-F510 AromaticContact CE1-CZ 3.92Å; F442-F510 HydrophobicContact CE1-CZ 3.92Å; F442-F524 HydrophobicContact CE1-CE1 4.48Å; F442-F524 HydrophobicContact CZ-CD1 4.44Å; F442-F524 HydrophobicContact CZ-CE1 4.11Å; F442-K525 HydrophobicContact CD1-CB 3.84Å; F442-K525 HydrophobicContact CD1-CD 3.68Å; F442-K525 HydrophobicContact CD1-CG 3.49Å; F442-K525 VanDerWaalsContact CD1-CG 3.49Å; F442-K525 HydrophobicContact CD2-CG 4.47Å; F442-K525 HydrophobicContact CE1-CB 3.39Å; F442-K525 HydrophobicContact CE1-CD 4.16Å; F442-K525 HydrophobicContact CE1-CG 3.55Å; F442-K525 HydrophobicContact CE2-CG 4.48Å; F442-K525 HydrophobicContact CG-CD 4.29Å; F442-K525 HydrophobicContact CG-CG 4.04Å; F442-K525 HydrophobicContact CZ-CB 3.93Å; F442-K525 HydrophobicContact CZ-CG 4.07Å; F442-V528 HydrophobicContact CE2-CB 4.04Å; F442-V528 HydrophobicContact CE2-CG1 3.88Å; F442-V528 HydrophobicContact CZ-CB 4.24Å; F442-V528 HydrophobicContact CZ-CG1 4.49Å; F442-V528 HydrophobicContact CZ-CG2 4.44Å
443	E	86.2	Confident	84.8	Confident	63 Å²	63	36.2 Å²	36.2	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-61.7	-40.1	175.6	-62.2	177.8	129.7	0	0	111.3	R337 M439 D440 L445 E446 N447	R337-E443 IonicContact CZ-OE1 2.82Å; R337-E443 IonicContact CZ-OE2 3.43Å; R337-E443 VanDerWaalsContact CZ-OE2 3.26Å; R337-E443 IonicContact NH1-OE1 2.8Å; R337-E443 PolarHBondContact NH1-OE1 3.26Å; R337-E443 IonicContact NH1-OE2 2.67Å; R337-E443 PolarHBondContact NH1-OE2 3.05Å; R337-E443 IonicContact NH2-OE1 2.58Å; R337-E443 IonicContact NH2-OE2 3.63Å; R337-E443 PolarHBondContact NH2-OE2 3.42Å; M439-E443 PolarHBondContact O-N 2.73Å; D440-E443 PolarHBondContact O-N 3.39Å; E443-L445 VanDerWaalsContact C-N 3.34Å; E443-L445 PolarHBondContact O-N 3.32Å; E443-E446 PolarHBondContact O-N 2.87Å; E443-N447 WeakPolarHBondContact O-CB 3.23Å; E443-N447 PolarHBondContact O-N 3.24Å; E443-N447 PolarHBondContact O-ND2 3.44Å
444	D	81	Confident	84.7	Confident	25 Å²	25	41 Å²	41	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-43.8	174.2	-70.3	168	0	0	0	113	A46 T47 D440 S441 F442 N447	A46-D444 WeakPolarHBondContact CA-OD1 3.49Å; A46-D444 WeakPolarHBondContact CA-OD2 3.28Å; A46-D444 HydrophobicContact CB-CB 4.21Å; A46-D444 WeakPolarHBondContact CB-OD2 3.46Å; A46-D444 WeakPolarHBondContact O-CB 3.24Å; T47-D444 PolarHBondContact N-OD1 3.3Å; T47-D444 VanDerWaalsContact N-OD1 3.07Å; D440-D444 WeakPolarHBondContact O-CB 3.27Å; D440-D444 PolarHBondContact O-N 3.16Å; S441-D444 WeakPolarHBondContact CA-OD1 3.29Å; F442-D444 VanDerWaalsContact C-N 3.3Å; F442-D444 PolarHBondContact O-N 2.95Å; D444-N447 CarbonylContact O-C 3.59Å; D444-N447 PolarHBondContact O-N 3.42Å
445	L	81.6	Confident	84.5	Confident	15 Å²	15	42.5 Å²	42.5	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-84.3	-16.4	-179.8	-66.3	-171.4	0	0	0	113.3	T47 F49 S441 F442 E443 L506 A507 F510 L511	T47-L445 HydrophobicContact CG2-CD2 4.34Å; F49-L445 HydrophobicContact CD2-CD1 3.89Å; F49-L445 HydrophobicContact CE2-CD1 3.73Å; F49-L445 HydrophobicContact CE2-CG 4.28Å; S441-L445 WeakPolarHBondContact O-CG 3.48Å; S441-L445 PolarHBondContact O-N 2.82Å; F442-L445 PolarHBondContact O-N 3.39Å; E443-L445 VanDerWaalsContact C-N 3.34Å; E443-L445 PolarHBondContact O-N 3.32Å; L445-L506 HydrophobicContact CD1-CB 4.46Å; L445-A507 HydrophobicContact CD2-CB 4.08Å; L445-F510 HydrophobicContact CB-CB 4.47Å; L445-F510 HydrophobicContact CD1-CB 4.34Å; L445-F510 HydrophobicContact CD1-CD2 3.44Å; L445-F510 VanDerWaalsContact CD1-CD2 3.44Å; L445-F510 HydrophobicContact CD1-CE2 4.1Å; L445-F510 HydrophobicContact CD1-CG 4.18Å; L445-L511 VanDerWaalsContact O-CD2 3.32Å; L445-L511 WeakPolarHBondContact O-CD2 3.38Å
446	E	82.5	Confident	84.3	Confident	109 Å²	109	43.6 Å²	43.6	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-74.1	-32.1	163.5	-73.7	173.4	-159.9	0	0	112.1	F442 E443 P448 K525	F442-E446 WeakPolarHBondContact O-CG 3.41Å; F442-E446 PolarHBondContact O-N 3.41Å; E443-E446 PolarHBondContact O-N 2.87Å; E446-P448 WeakPolarHBondContact O-CD 3.4Å; E446-K525 WeakPolarHBondContact OE1-CE 3.34Å; E446-K525 IonicContact OE1-NZ 3.72Å; E446-K525 PolarHBondContact OE1-NZ 2.93Å
447	N	77.1	Confident	84.2	Confident	94 Å²	94	48.4 Å²	48.4	50%	0.503	26%	0.26	S	S	.	.	S	Bend	trans	-116.8	51.3	-173.2	-62.4	-85.5	0	0	0	113.4	E443 D444	E443-N447 WeakPolarHBondContact O-CB 3.23Å; E443-N447 PolarHBondContact O-N 3.24Å; E443-N447 PolarHBondContact O-ND2 3.44Å; D444-N447 CarbonylContact O-C 3.59Å; D444-N447 PolarHBondContact O-N 3.42Å
448	P	79	Confident	84.3	Confident	13 Å²	13	51.4 Å²	51.4	8%	0.084	28%	0.276	C	S	.	.			trans	-66.2	149.5	-175.2	30.9	-37.9	0	0	0	111.7	E446 Q453 L511	E446-P448 WeakPolarHBondContact O-CD 3.4Å; P448-Q453 HydrophobicContact CG-CG 3.93Å; P448-Q453 PolarHBondContact O-NE2 2.93Å; P448-L511 HydrophobicContact CB-CD1 3.92Å; P448-L511 HydrophobicContact CB-CD2 4.38Å; P448-L511 HydrophobicContact CG-CD1 4.19Å; P448-L511 HydrophobicContact CG-CD2 3.82Å
449	P	78.4	Confident	84.2	Confident	46 Å²	46	61.5 Å²	61.5	30%	0.299	31%	0.313	S	S	.	.			trans	-52.6	143.3	177.7	-29.7	35.2	0	0	0	114.4	S451 I452 Q453	P449-S451 PolarHBondContact O-N 3.06Å; P449-I452 WeakPolarHBondContact O-CA 3.24Å; P449-I452 WeakPolarHBondContact O-CB 3.35Å; P449-I452 PolarHBondContact O-N 3.41Å; P449-Q453 PolarHBondContact O-N 3.14Å
450	I	79.9	Confident	84.1	Confident	118 Å²	118	72.8 Å²	72.8	61%	0.605	36%	0.355	S	S	*	.	H	α-helix	trans	-52.6	-34.4	-178.5	-60.4	171.2	0	0	0	112.4	I452 Q453 N454	I450-I452 VanDerWaalsContact C-N 3.32Å; I450-I452 PolarHBondContact O-N 2.99Å; I450-Q453 PolarHBondContact O-N 3.34Å; I450-N454 WeakPolarHBondContact O-CB 3.42Å; I450-N454 PolarHBondContact O-N 2.69Å; I450-N454 PolarHBondContact O-ND2 2.91Å
451	S	82.8	Confident	84.2	Confident	84 Å²	84	73.8 Å²	73.8	59%	0.587	36%	0.36	S	S	*	.	H	α-helix	trans	-60.9	-37.8	174.7	48.8	0	0	0	0	113.3	P449 V455	P449-S451 PolarHBondContact O-N 3.06Å; S451-V455 WeakPolarHBondContact O-CG2 3.3Å
452	I	85	Confident	84.5	Confident	18 Å²	18	79.2 Å²	79.2	9%	0.092	39%	0.389	C	S	.	.	H	α-helix	trans	-75.1	-46.2	175.4	-59.4	-175.7	0	0	0	109.8	P449 I450 N454 V455 I456 V470 L511	P449-I452 WeakPolarHBondContact O-CA 3.24Å; P449-I452 WeakPolarHBondContact O-CB 3.35Å; P449-I452 PolarHBondContact O-N 3.41Å; I450-I452 VanDerWaalsContact C-N 3.32Å; I450-I452 PolarHBondContact O-N 2.99Å; I452-N454 VanDerWaalsContact C-N 3.3Å; I452-N454 PolarHBondContact O-N 3.35Å; I452-V455 PolarHBondContact O-N 3.28Å; I452-V455 VanDerWaalsContact O-N 3.11Å; I452-I456 HydrophobicContact CG2-CD1 3.66Å; I452-I456 HydrophobicContact CG2-CG1 4.23Å; I452-I456 WeakPolarHBondContact O-CG1 3.41Å; I452-I456 PolarHBondContact O-N 2.9Å; I452-V470 HydrophobicContact CG2-CG2 4.11Å; I452-L511 HydrophobicContact CG2-CD1 4.11Å
453	Q	84.9	Confident	84.6	Confident	76 Å²	76	81.5 Å²	81.5	36%	0.355	41%	0.406	S	S	.	.	H	α-helix	trans	-53.2	-47.3	176.4	-63	-175.4	14.6	0	0	111.7	P448 P449 I450 V455 I456 N457	P448-Q453 HydrophobicContact CG-CG 3.93Å; P448-Q453 PolarHBondContact O-NE2 2.93Å; P449-Q453 PolarHBondContact O-N 3.14Å; I450-Q453 PolarHBondContact O-N 3.34Å; Q453-V455 VanDerWaalsContact C-N 3.32Å; Q453-V455 PolarHBondContact O-N 3.05Å; Q453-I456 PolarHBondContact O-N 3.32Å; Q453-N457 VanDerWaalsContact O-CB 3.28Å; Q453-N457 WeakPolarHBondContact O-CB 3.35Å; Q453-N457 VanDerWaalsContact O-CG 3.28Å; Q453-N457 PolarHBondContact O-N 3.11Å; Q453-N457 PolarHBondContact O-ND2 2.95Å
454	N	87.1	Confident	84.7	Confident	106 Å²	106	81.7 Å²	81.7	57%	0.567	41%	0.414	S	S	*	.	H	α-helix	trans	-61	-37	179.5	-74	-12.8	0	0	0	113.1	I450 I452 N458	I450-N454 WeakPolarHBondContact O-CB 3.42Å; I450-N454 PolarHBondContact O-N 2.69Å; I450-N454 PolarHBondContact O-ND2 2.91Å; I452-N454 VanDerWaalsContact C-N 3.3Å; I452-N454 PolarHBondContact O-N 3.35Å; N454-N458 WeakPolarHBondContact O-CB 3.24Å; N454-N458 PolarHBondContact O-N 3.46Å
455	V	88.1	Confident	85.1	Confident	39 Å²	39	85.9 Å²	85.9	24%	0.236	43%	0.431	C	S	.	.	H	α-helix	trans	-71.8	-41.3	176.8	170.9	0	0	0	0	111.2	S451 I452 Q453 L461 K466 A469	S451-V455 WeakPolarHBondContact O-CG2 3.3Å; I452-V455 PolarHBondContact O-N 3.28Å; I452-V455 VanDerWaalsContact O-N 3.11Å; Q453-V455 VanDerWaalsContact C-N 3.32Å; Q453-V455 PolarHBondContact O-N 3.05Å; V455-L461 HydrophobicContact CG1-CD1 4.01Å; V455-K466 HydrophobicContact CG1-CG 4.41Å; V455-K466 VanDerWaalsContact O-CE 3.32Å; V455-K466 WeakPolarHBondContact O-CE 3.35Å; V455-A469 HydrophobicContact CG1-CB 3.78Å
456	I	86.7	Confident	85.6	Confident	26 Å²	26	86.6 Å²	86.6	13%	0.133	43%	0.434	C	S	.	.	H	α-helix	trans	-72	-42	-177.8	-66.1	-177.7	0	0	0	111.5	I452 Q453 N458 K466 V470 L511	I452-I456 HydrophobicContact CG2-CD1 3.66Å; I452-I456 HydrophobicContact CG2-CG1 4.23Å; I452-I456 WeakPolarHBondContact O-CG1 3.41Å; I452-I456 PolarHBondContact O-N 2.9Å; Q453-I456 PolarHBondContact O-N 3.32Å; I456-N458 VanDerWaalsContact C-N 3.28Å; I456-N458 PolarHBondContact O-N 3.44Å; I456-K466 WeakPolarHBondContact O-CE 3.31Å; I456-K466 PolarHBondContact O-NZ 2.94Å; I456-V470 HydrophobicContact CD1-CG2 3.62Å; I456-V470 HydrophobicContact CG1-CG2 3.99Å; I456-L511 HydrophobicContact CD1-CB 3.41Å; I456-L511 VanDerWaalsContact CD1-CB 3.41Å; I456-L511 HydrophobicContact CD1-CD1 3.88Å; I456-L511 HydrophobicContact CD1-CG 4.26Å; I456-L511 VanDerWaalsContact CG2-O 3.22Å; I456-L511 WeakPolarHBondContact CG2-O 3.45Å
457	N	86.6	Confident	86.1	Confident	123 Å²	123	83.8 Å²	83.8	66%	0.658	42%	0.42	S	S	*	.	H	α-helix	trans	-74.9	-15.1	179.4	-66.2	-17.9	0	0	0	113.1	Q453 R459	Q453-N457 VanDerWaalsContact O-CB 3.28Å; Q453-N457 WeakPolarHBondContact O-CB 3.35Å; Q453-N457 VanDerWaalsContact O-CG 3.28Å; Q453-N457 PolarHBondContact O-N 3.11Å; Q453-N457 PolarHBondContact O-ND2 2.95Å; N457-R459 PolarHBondContact O-N 2.72Å; N457-R459 VanDerWaalsContact O-N 3.1Å
458	N	89	Confident	86.7	Confident	62 Å²	62	83.4 Å²	83.4	33%	0.332	42%	0.422	S	S	.	.			trans	-64.7	111.8	178.2	-171.5	-47.6	0	0	0	111.5	N454 I456 W460 L461 K466	N454-N458 WeakPolarHBondContact O-CB 3.24Å; N454-N458 PolarHBondContact O-N 3.46Å; I456-N458 VanDerWaalsContact C-N 3.28Å; I456-N458 PolarHBondContact O-N 3.44Å; N458-W460 PolarHBondContact O-N 2.97Å; N458-W460 WeakPolarHBondContact OD1-CA 3.41Å; N458-W460 WeakPolarHBondContact OD1-CB 3.28Å; N458-W460 PolarHBondContact OD1-N 2.88Å; N458-L461 HydrophobicContact CB-CD1 3.84Å; N458-L461 HydrophobicContact CB-CG 4.03Å; N458-L461 PolarHBondContact O-N 3.28Å; N458-L461 PolarHBondContact OD1-N 3.32Å; N458-K466 WeakPolarHBondContact O-CE 3.33Å; N458-K466 PolarHBondContact O-NZ 2.98Å
459	R	86.9	Confident	87.2	Confident	234 Å²	234	83.9 Å²	83.9	88%	0.883	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.5	-178.3	-173.7	172.7	175.4	-176.8	-1.5	114.1	N457	N457-R459 PolarHBondContact O-N 2.72Å; N457-R459 VanDerWaalsContact O-N 3.1Å
460	W	87.6	Confident	87.6	Confident	240 Å²	240	81.8 Å²	81.8	91%	0.909	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-14.2	-175.8	-56.4	-6.7	0	0	0	113.3	N458	N458-W460 PolarHBondContact O-N 2.97Å; N458-W460 WeakPolarHBondContact OD1-CA 3.41Å; N458-W460 WeakPolarHBondContact OD1-CB 3.28Å; N458-W460 PolarHBondContact OD1-N 2.88Å
461	L	88.1	Confident	88	Confident	54 Å²	54	77.5 Å²	77.5	28%	0.283	40%	0.396	S	S	.	.	S	Bend	trans	-85.2	131.1	176.8	-61.7	177	0	0	0	111.1	V455 N458 F465 K466	V455-L461 HydrophobicContact CG1-CD1 4.01Å; N458-L461 HydrophobicContact CB-CD1 3.84Å; N458-L461 HydrophobicContact CB-CG 4.03Å; N458-L461 PolarHBondContact O-N 3.28Å; N458-L461 PolarHBondContact OD1-N 3.32Å; L461-F465 HydrophobicContact CB-CD1 4.24Å; L461-F465 HydrophobicContact CD1-CD1 3.95Å; L461-F465 HydrophobicContact CD1-CE1 3.93Å; L461-F465 HydrophobicContact CD2-CD1 3.92Å; L461-F465 HydrophobicContact CD2-CE1 4.04Å; L461-F465 HydrophobicContact CG-CD1 4.25Å; L461-K466 HydrophobicContact CB-CG 4.11Å; L461-K466 WeakPolarHBondContact O-CE 3.13Å
462	N	90.1	Very high	88.2	Confident	113 Å²	113	76.8 Å²	76.8	60%	0.604	39%	0.39	S	S	*	.			trans	-66.1	146.8	174.7	-168.7	-1	0	0	0	111	S464 F465 K466	N462-S464 VanDerWaalsContact C-N 3.26Å; N462-S464 PolarHBondContact O-N 2.98Å; N462-F465 WeakPolarHBondContact O-CB 3.17Å; N462-F465 PolarHBondContact O-N 3.05Å; N462-K466 PolarHBondContact O-N 3.42Å; N462-K466 VanDerWaalsContact O-N 3.08Å
463	S	87.8	Confident	88.2	Confident	54 Å²	54	78 Å²	78	38%	0.378	40%	0.4	S	S	.	.	H	α-helix	trans	-54.4	-38.4	-178.9	-57.6	0	0	0	0	113.1	F465 K466 E467 W508	S463-F465 VanDerWaalsContact C-N 3.34Å; S463-F465 PolarHBondContact O-N 3.36Å; S463-K466 WeakPolarHBondContact O-CB 3.31Å; S463-K466 PolarHBondContact O-N 3.33Å; S463-E467 WeakPolarHBondContact O-CB 3.38Å; S463-E467 PolarHBondContact O-N 3.44Å; S463-W508 VanDerWaalsContact O-CH2 3.27Å; S463-W508 WeakPolarHBondContact O-CH2 3.37Å; S463-W508 WeakPolarHBondContact O-CZ2 3.32Å
464	S	87.6	Confident	88.2	Confident	66 Å²	66	74.5 Å²	74.5	46%	0.462	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-32.3	176.5	54.3	0	0	0	0	113.8	N462 T468	N462-S464 VanDerWaalsContact C-N 3.26Å; N462-S464 PolarHBondContact O-N 2.98Å; S464-T468 WeakPolarHBondContact O-CB 3.38Å; S464-T468 PolarHBondContact O-N 2.93Å; S464-T468 VanDerWaalsContact O-N 3.09Å; S464-T468 PolarHBondContact O-OG1 3.04Å
465	F	91.1	Very high	88	Confident	114 Å²	114	75.1 Å²	75.1	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-71.4	-42.6	172.3	-177.4	-87.9	0	0	0	110.9	L461 N462 S463 T468 A469	L461-F465 HydrophobicContact CB-CD1 4.24Å; L461-F465 HydrophobicContact CD1-CD1 3.95Å; L461-F465 HydrophobicContact CD1-CE1 3.93Å; L461-F465 HydrophobicContact CD2-CD1 3.92Å; L461-F465 HydrophobicContact CD2-CE1 4.04Å; L461-F465 HydrophobicContact CG-CD1 4.25Å; N462-F465 WeakPolarHBondContact O-CB 3.17Å; N462-F465 PolarHBondContact O-N 3.05Å; S463-F465 VanDerWaalsContact C-N 3.34Å; S463-F465 PolarHBondContact O-N 3.36Å; F465-T468 PolarHBondContact O-N 2.96Å; F465-A469 WeakPolarHBondContact O-CB 3.46Å; F465-A469 PolarHBondContact O-N 2.79Å
466	K	92.1	Very high	87.8	Confident	29 Å²	29	76.8 Å²	76.8	13%	0.126	39%	0.392	C	S	.	.	H	α-helix	trans	-59.6	-47	175.6	-65.6	177.4	175.5	-178.5	0	111.4	V455 I456 N458 L461 N462 S463 T468 A469 V470 W508	V455-K466 HydrophobicContact CG1-CG 4.41Å; V455-K466 VanDerWaalsContact O-CE 3.32Å; V455-K466 WeakPolarHBondContact O-CE 3.35Å; I456-K466 WeakPolarHBondContact O-CE 3.31Å; I456-K466 PolarHBondContact O-NZ 2.94Å; N458-K466 WeakPolarHBondContact O-CE 3.33Å; N458-K466 PolarHBondContact O-NZ 2.98Å; L461-K466 HydrophobicContact CB-CG 4.11Å; L461-K466 WeakPolarHBondContact O-CE 3.13Å; N462-K466 PolarHBondContact O-N 3.42Å; N462-K466 VanDerWaalsContact O-N 3.08Å; S463-K466 WeakPolarHBondContact O-CB 3.31Å; S463-K466 PolarHBondContact O-N 3.33Å; K466-T468 PolarHBondContact O-N 2.92Å; K466-A469 PolarHBondContact O-N 3.34Å; K466-V470 WeakPolarHBondContact O-CG2 3.33Å; K466-V470 PolarHBondContact O-N 3.39Å; K466-W508 HydrophobicContact CB-CH2 3.81Å; K466-W508 HydrophobicContact CB-CZ3 3.71Å
467	E	91.3	Very high	87.4	Confident	50 Å²	50	77 Å²	77	23%	0.234	40%	0.395	C	S	.	.	H	α-helix	trans	-56.5	-48.3	174.3	-175.7	172.8	169.7	0	0	111.7	K390 S463 A469 V470 A471 W508	K390-E467 WeakPolarHBondContact CE-OE1 3.41Å; K390-E467 IonicContact NZ-OE1 2.72Å; K390-E467 PolarHBondContact NZ-OE1 3.45Å; S463-E467 WeakPolarHBondContact O-CB 3.38Å; S463-E467 PolarHBondContact O-N 3.44Å; E467-A469 VanDerWaalsContact C-N 3.31Å; E467-A469 PolarHBondContact O-N 3.32Å; E467-V470 PolarHBondContact O-N 2.93Å; E467-A471 WeakPolarHBondContact O-CB 3.44Å; E467-A471 PolarHBondContact O-N 3.08Å; E467-W508 HydrophobicContact CB-CD2 3.72Å; E467-W508 HydrophobicContact CB-CE3 4.1Å; E467-W508 HydrophobicContact CB-CG 4.18Å; E467-W508 HydrophobicContact CB-CH2 4.2Å; E467-W508 HydrophobicContact CB-CZ2 3.81Å; E467-W508 HydrophobicContact CB-CZ3 4.33Å; E467-W508 VanDerWaalsContact CD-NE1 3.28Å; E467-W508 HydrophobicContact CG-CB 4.39Å; E467-W508 HydrophobicContact CG-CD2 3.82Å; E467-W508 HydrophobicContact CG-CG 3.7Å; E467-W508 PolarHBondContact OE2-NE1 2.89Å
468	T	91.1	Very high	87.1	Confident	86 Å²	86	71.4 Å²	71.4	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-39.4	179	-57.6	0	0	0	0	111.6	S464 F465 K466 S472	S464-T468 WeakPolarHBondContact O-CB 3.38Å; S464-T468 PolarHBondContact O-N 2.93Å; S464-T468 VanDerWaalsContact O-N 3.09Å; S464-T468 PolarHBondContact O-OG1 3.04Å; F465-T468 PolarHBondContact O-N 2.96Å; K466-T468 PolarHBondContact O-N 2.92Å; T468-S472 VanDerWaalsContact O-CB 3.22Å; T468-S472 WeakPolarHBondContact O-CB 3.37Å; T468-S472 PolarHBondContact O-N 3.49Å; T468-S472 PolarHBondContact O-OG 3.35Å
469	A	88.6	Confident	86.9	Confident	24 Å²	24	73.3 Å²	73.3	20%	0.198	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-39.9	177.8	0	0	0	0	0	113	V455 F465 K466 E467 S473	V455-A469 HydrophobicContact CG1-CB 3.78Å; F465-A469 WeakPolarHBondContact O-CB 3.46Å; F465-A469 PolarHBondContact O-N 2.79Å; K466-A469 PolarHBondContact O-N 3.34Å; E467-A469 VanDerWaalsContact C-N 3.31Å; E467-A469 PolarHBondContact O-N 3.32Å; A469-S473 WeakPolarHBondContact O-CB 3.5Å; A469-S473 PolarHBondContact O-N 3.43Å; A469-S473 PolarHBondContact O-OG 2.96Å
470	V	87.7	Confident	86.7	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-52.2	172.6	170.2	0	0	0	0	110	I452 I456 K466 E467 S472 S473 C474 A507 W508	I452-V470 HydrophobicContact CG2-CG2 4.11Å; I456-V470 HydrophobicContact CD1-CG2 3.62Å; I456-V470 HydrophobicContact CG1-CG2 3.99Å; K466-V470 WeakPolarHBondContact O-CG2 3.33Å; K466-V470 PolarHBondContact O-N 3.39Å; E467-V470 PolarHBondContact O-N 2.93Å; V470-S472 VanDerWaalsContact C-N 3.33Å; V470-S472 PolarHBondContact O-N 3.36Å; V470-S473 WeakPolarHBondContact O-CB 3.4Å; V470-S473 PolarHBondContact O-N 3.13Å; V470-C474 PolarHBondContact O-N 3.38Å; V470-C474 PolarHBondContact O-SG 3.38Å; V470-C474 VanDerWaalsContact O-SG 3.42Å; V470-A507 HydrophobicContact CG1-CB 3.62Å; V470-W508 HydrophobicContact CG2-CE3 4.4Å
471	A	87.8	Confident	86.2	Confident	29 Å²	29	58.8 Å²	58.8	24%	0.24	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-41.8	178.9	0	0	0	0	0	112.6	E467 S473 C474 W475 P504	E467-A471 WeakPolarHBondContact O-CB 3.44Å; E467-A471 PolarHBondContact O-N 3.08Å; A471-S473 VanDerWaalsContact C-N 3.3Å; A471-S473 PolarHBondContact O-N 3.32Å; A471-C474 PolarHBondContact O-N 2.93Å; A471-W475 WeakPolarHBondContact O-CB 3.27Å; A471-W475 PolarHBondContact O-N 2.85Å; A471-P504 HydrophobicContact CB-CB 3.96Å
472	S	87.2	Confident	85.9	Confident	68 Å²	68	61.3 Å²	61.3	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-35.1	175.3	-61.7	0	0	0	0	112.4	T468 V470 S476	T468-S472 VanDerWaalsContact O-CB 3.22Å; T468-S472 WeakPolarHBondContact O-CB 3.37Å; T468-S472 PolarHBondContact O-N 3.49Å; T468-S472 PolarHBondContact O-OG 3.35Å; V470-S472 VanDerWaalsContact C-N 3.33Å; V470-S472 PolarHBondContact O-N 3.36Å; S472-S476 WeakPolarHBondContact O-CB 3.33Å; S472-S476 PolarHBondContact O-N 2.68Å
473	S	85.2	Confident	85.4	Confident	43 Å²	43	62.7 Å²	62.7	30%	0.301	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-49.4	176.5	-58.7	0	0	0	0	111.1	A469 V470 A471 W475 S476 V477	A469-S473 WeakPolarHBondContact O-CB 3.5Å; A469-S473 PolarHBondContact O-N 3.43Å; A469-S473 PolarHBondContact O-OG 2.96Å; V470-S473 WeakPolarHBondContact O-CB 3.4Å; V470-S473 PolarHBondContact O-N 3.13Å; A471-S473 VanDerWaalsContact C-N 3.3Å; A471-S473 PolarHBondContact O-N 3.32Å; S473-W475 VanDerWaalsContact C-N 3.33Å; S473-W475 PolarHBondContact O-N 2.79Å; S473-S476 PolarHBondContact O-N 3.17Å; S473-V477 WeakPolarHBondContact O-CG2 3.15Å; S473-V477 PolarHBondContact O-N 3.27Å; S473-V477 VanDerWaalsContact O-N 3.07Å
474	C	83.9	Confident	84.7	Confident	3 Å²	3	67 Å²	67	2%	0.02	34%	0.344	C	S	.	.	H	α-helix	trans	-56.6	-45.4	173.8	-62.8	0	0	0	0	111.9	V470 A471 S476 V477 L478 P504	V470-C474 PolarHBondContact O-N 3.38Å; V470-C474 PolarHBondContact O-SG 3.38Å; V470-C474 VanDerWaalsContact O-SG 3.42Å; A471-C474 PolarHBondContact O-N 2.93Å; C474-S476 PolarHBondContact O-N 3.47Å; C474-V477 PolarHBondContact O-N 3.13Å; C474-L478 WeakPolarHBondContact O-CG 3.2Å; C474-L478 PolarHBondContact O-N 3.27Å; C474-P504 HydrophobicContact CB-CG 4.14Å
475	W	84.4	Confident	84.1	Confident	119 Å²	119	65.9 Å²	65.9	45%	0.451	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-38.7	178.9	-166.5	71.9	0	0	0	112.5	A471 S473 L478 K479 E500	A471-W475 WeakPolarHBondContact O-CB 3.27Å; A471-W475 PolarHBondContact O-N 2.85Å; S473-W475 VanDerWaalsContact C-N 3.33Å; S473-W475 PolarHBondContact O-N 2.79Å; W475-L478 PolarHBondContact O-N 2.94Å; W475-K479 HydrophobicContact CE3-CD 4.28Å; W475-K479 HydrophobicContact CH2-CD 3.97Å; W475-K479 HydrophobicContact CZ2-CD 4.39Å; W475-K479 HydrophobicContact CZ3-CD 3.89Å; W475-K479 WeakPolarHBondContact O-CB 3.32Å; W475-K479 PolarHBondContact O-N 3.23Å; W475-E500 PolarHBondContact NE1-OE1 2.75Å
476	S	82.3	Confident	83.1	Confident	74 Å²	74	70.5 Å²	70.5	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-44.9	175.6	-163.5	0	0	0	0	111.7	S472 S473 C474 K479 Q480	S472-S476 WeakPolarHBondContact O-CB 3.33Å; S472-S476 PolarHBondContact O-N 2.68Å; S473-S476 PolarHBondContact O-N 3.17Å; C474-S476 PolarHBondContact O-N 3.47Å; S476-K479 PolarHBondContact O-N 3.12Å; S476-Q480 WeakPolarHBondContact O-CB 3.46Å; S476-Q480 PolarHBondContact O-N 3.18Å
477	V	79.9	Confident	82.3	Confident	30 Å²	30	71.4 Å²	71.4	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-49.9	176.3	174.1	0	0	0	0	111	S473 C474 K479 Q480 K481	S473-V477 WeakPolarHBondContact O-CG2 3.15Å; S473-V477 PolarHBondContact O-N 3.27Å; S473-V477 VanDerWaalsContact O-N 3.07Å; C474-V477 PolarHBondContact O-N 3.13Å; V477-K479 VanDerWaalsContact C-N 3.29Å; V477-K479 PolarHBondContact O-N 3.31Å; V477-Q480 PolarHBondContact O-N 3.26Å; V477-K481 HydrophobicContact CG1-CG 4.2Å; V477-K481 WeakPolarHBondContact O-CG 3.3Å; V477-K481 PolarHBondContact O-N 2.88Å
478	L	79.9	Confident	81.5	Confident	7 Å²	7	74.4 Å²	74.4	4%	0.037	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-39.9	178.2	-72.6	172.5	0	0	0	111.9	T48 C474 W475 K481 R482 Y496 C499 E500	T48-L478 HydrophobicContact CG2-CD2 4.23Å; C474-L478 WeakPolarHBondContact O-CG 3.2Å; C474-L478 PolarHBondContact O-N 3.27Å; W475-L478 PolarHBondContact O-N 2.94Å; L478-K481 PolarHBondContact O-N 3.38Å; L478-R482 WeakPolarHBondContact O-CB 3.28Å; L478-R482 PolarHBondContact O-N 2.94Å; L478-Y496 HydrophobicContact CD2-CD1 4.04Å; L478-Y496 HydrophobicContact CD2-CG 4.37Å; L478-C499 HydrophobicContact CD1-CB 4.04Å; L478-C499 HydrophobicContact CD2-CB 3.79Å; L478-E500 HydrophobicContact CD1-CB 4.39Å
479	K	83.4	Confident	81	Confident	102 Å²	102	74.9 Å²	74.9	44%	0.443	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-42.9	176	-173.5	175.2	-174.6	174.6	0	112.5	W475 S476 V477 R482 Q483	W475-K479 HydrophobicContact CE3-CD 4.28Å; W475-K479 HydrophobicContact CH2-CD 3.97Å; W475-K479 HydrophobicContact CZ2-CD 4.39Å; W475-K479 HydrophobicContact CZ3-CD 3.89Å; W475-K479 WeakPolarHBondContact O-CB 3.32Å; W475-K479 PolarHBondContact O-N 3.23Å; S476-K479 PolarHBondContact O-N 3.12Å; V477-K479 VanDerWaalsContact C-N 3.29Å; V477-K479 PolarHBondContact O-N 3.31Å; K479-R482 PolarHBondContact O-N 3.13Å; K479-Q483 WeakPolarHBondContact O-CG 3.25Å; K479-Q483 PolarHBondContact O-N 3.15Å; K479-Q483 VanDerWaalsContact O-N 3.13Å
480	Q	82.7	Confident	80.8	Confident	107 Å²	107	74 Å²	74	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-41.6	174.5	-171.9	-175.6	11.4	0	0	111.5	S476 V477 Q483 H484	S476-Q480 WeakPolarHBondContact O-CB 3.46Å; S476-Q480 PolarHBondContact O-N 3.18Å; V477-Q480 PolarHBondContact O-N 3.26Å; Q480-Q483 PolarHBondContact O-N 3.48Å; Q480-H484 PolarHBondContact O-ND1 2.82Å
481	K	77.5	Confident	80.7	Confident	61 Å²	61	73.9 Å²	73.9	27%	0.265	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-41.3	176.3	-60	-96.8	177.7	163.7	0	110.8	V44 A45 V477 L478 Q483 H484 Y496	V44-K481 WeakPolarHBondContact O-CE 3.38Å; V44-K481 PolarHBondContact O-NZ 3.15Å; A45-K481 PolarHBondContact O-NZ 2.93Å; V477-K481 HydrophobicContact CG1-CG 4.2Å; V477-K481 WeakPolarHBondContact O-CG 3.3Å; V477-K481 PolarHBondContact O-N 2.88Å; L478-K481 PolarHBondContact O-N 3.38Å; K481-Q483 VanDerWaalsContact C-N 3.3Å; K481-Q483 PolarHBondContact O-N 3.42Å; K481-H484 PolarHBondContact O-N 2.68Å; K481-Y496 HydrophobicContact CB-CD2 4.33Å; K481-Y496 HydrophobicContact CB-CE2 3.6Å
482	R	81.8	Confident	80.6	Confident	107 Å²	107	72.5 Å²	72.5	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-34.5	176.2	-165.9	178	-72.7	-150	13.7	112.9	L478 K479 H484 M485 E500	L478-R482 WeakPolarHBondContact O-CB 3.28Å; L478-R482 PolarHBondContact O-N 2.94Å; K479-R482 PolarHBondContact O-N 3.13Å; R482-H484 PolarHBondContact O-N 2.9Å; R482-M485 HydrophobicContact CB-SD 4.46Å; R482-M485 HydrophobicContact CG-CE 3.74Å; R482-M485 HydrophobicContact CG-SD 4.08Å; R482-M485 PolarHBondContact O-N 3.18Å; R482-E500 IonicContact CZ-OE2 3.73Å; R482-E500 IonicContact NH2-OE2 3.3Å; R482-E500 PolarHBondContact NH2-OE2 3.11Å
483	Q	80.5	Confident	80.7	Confident	143 Å²	143	70 Å²	70	67%	0.668	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.2	174.6	-73	172.1	-24.3	0	0	114.3	K479 Q480 K481	K479-Q483 WeakPolarHBondContact O-CG 3.25Å; K479-Q483 PolarHBondContact O-N 3.15Å; K479-Q483 VanDerWaalsContact O-N 3.13Å; Q480-Q483 PolarHBondContact O-N 3.48Å; K481-Q483 VanDerWaalsContact C-N 3.3Å; K481-Q483 PolarHBondContact O-N 3.42Å
484	H	73.3	Confident	80.9	Confident	145 Å²	145	69.2 Å²	69.2	67%	0.671	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	10.5	-178	-65.8	79.2	0	0	0	113	Q480 K481 R482	Q480-H484 PolarHBondContact O-ND1 2.82Å; K481-H484 PolarHBondContact O-N 2.68Å; R482-H484 PolarHBondContact O-N 2.9Å
485	M	74.4	Confident	81	Confident	41 Å²	41	69.2 Å²	69.2	20%	0.202	34%	0.341	C	S	.	.			trans	-74.8	137.1	175.2	-59.1	-174.6	-29.8	0	0	110.8	R482 I492 A493 Y496	R482-M485 HydrophobicContact CB-SD 4.46Å; R482-M485 HydrophobicContact CG-CE 3.74Å; R482-M485 HydrophobicContact CG-SD 4.08Å; R482-M485 PolarHBondContact O-N 3.18Å; M485-I492 HydrophobicContact CG-CG2 4.25Å; M485-I492 HydrophobicContact SD-CG2 3.9Å; M485-A493 HydrophobicContact CE-CB 3.74Å; M485-A493 HydrophobicContact SD-CB 4.31Å; M485-Y496 HydrophobicContact CG-CD2 4.41Å; M485-Y496 HydrophobicContact CG-CE2 4.2Å; M485-Y496 HydrophobicContact SD-CD2 3.58Å; M485-Y496 VanDerWaalsContact SD-CD2 3.58Å; M485-Y496 HydrophobicContact SD-CE2 3.92Å
486	K	71	Confident	81.2	Confident	212 Å²	212	64.1 Å²	64.1	92%	0.922	32%	0.322	S	S	*	.	S	Bend	trans	-84.4	-35.2	175.5	-64.4	-178.1	-179.4	179	0	112.3
487	V	74.6	Confident	81.6	Confident	48 Å²	48	61.6 Å²	61.6	29%	0.291	31%	0.305	S	S	.	.			trans	-107	128.5	179	-164.8	0	0	0	0	108.7
488	S	73.4	Confident	82	Confident	113 Å²	113	60.1 Å²	60.1	79%	0.79	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-22.4	179.9	49	0	0	0	0	113.6	A493	S488-A493 VanDerWaalsContact O-CB 3.27Å; S488-A493 WeakPolarHBondContact O-CB 3.29Å
489	N	81.6	Confident	82.3	Confident	96 Å²	96	59.8 Å²	59.8	51%	0.513	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	37.1	179.6	-157.5	95.1	0	0	0	111.1
490	G	84.8	Confident	82.6	Confident	4 Å²	4	58 Å²	58	4%	0.041	29%	0.287	C	S	.	.	S	Bend	trans	-86.5	174.2	174.6	0	0	0	0	0	112.4	I492 A493 H494	G490-I492 PolarHBondContact O-N 2.88Å; G490-A493 WeakPolarHBondContact O-CB 3.3Å; G490-A493 PolarHBondContact O-N 2.98Å; G490-H494 PolarHBondContact O-CD2 2.85Å; G490-H494 PolarHBondContact O-N 3.46Å
491	F	86.1	Confident	82.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-48.9	-44.4	173.9	171.1	-89.9	0	0	0	111.9	I52 L56 F405 L406 T415 E418 L419 V432 A493 H494 F495	I52-F491 HydrophobicContact CB-CE2 4.46Å; I52-F491 HydrophobicContact CB-CZ 4.27Å; I52-F491 HydrophobicContact CG2-CD2 4.28Å; I52-F491 HydrophobicContact CG2-CE2 3.33Å; I52-F491 HydrophobicContact CG2-CZ 3.57Å; L56-F491 HydrophobicContact CD1-CE2 3.91Å; L56-F491 HydrophobicContact CD1-CZ 4.37Å; L56-F491 HydrophobicContact CD2-CD2 4.44Å; L56-F491 HydrophobicContact CD2-CE2 4.18Å; L56-F491 HydrophobicContact CG-CE2 4.42Å; F405-F491 HydrophobicContact CE1-CB 4.09Å; F405-F491 HydrophobicContact CZ-CB 4.49Å; L406-F491 HydrophobicContact CD2-CD2 3.78Å; L406-F491 HydrophobicContact CD2-CE2 3.91Å; T415-F491 HydrophobicContact CG2-CB 3.72Å; T415-F491 HydrophobicContact CG2-CD2 3.83Å; T415-F491 HydrophobicContact CG2-CG 3.83Å; E418-F491 PolarHBondContact OE2-N 2.88Å; E418-F491 VanDerWaalsContact OE2-N 3.08Å; L419-F491 HydrophobicContact CD1-CD1 4.49Å; L419-F491 HydrophobicContact CD1-CE1 4.33Å; L419-F491 HydrophobicContact CD1-CZ 4.45Å; L419-F491 HydrophobicContact CD2-CD1 4.3Å; L419-F491 HydrophobicContact CD2-CE1 3.83Å; L419-F491 HydrophobicContact CD2-CZ 4.44Å; L419-F491 HydrophobicContact CG-CD1 4.36Å; L419-F491 HydrophobicContact CG-CE1 4.3Å; V432-F491 HydrophobicContact CG1-CZ 4.32Å; F491-A493 VanDerWaalsContact C-N 3.32Å; F491-A493 PolarHBondContact O-N 3.34Å; F491-H494 PolarHBondContact O-N 3.3Å; F491-F495 WeakPolarHBondContact O-CB 3.44Å; F491-F495 PolarHBondContact O-N 3.12Å
492	I	85.8	Confident	83.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-30.6	-179.4	-64.9	-66.2	0	0	0	112.7	E418 R422 M485 G490 F495 Y496	E418-I492 HydrophobicContact CB-CG1 4.07Å; E418-I492 HydrophobicContact CG-CG1 4.43Å; E418-I492 WeakPolarHBondContact OE2-CB 3.27Å; E418-I492 VanDerWaalsContact OE2-CG1 3.31Å; E418-I492 WeakPolarHBondContact OE2-CG1 3.38Å; E418-I492 PolarHBondContact OE2-N 3.45Å; R422-I492 VanDerWaalsContact CZ-CD1 3.47Å; M485-I492 HydrophobicContact CG-CG2 4.25Å; M485-I492 HydrophobicContact SD-CG2 3.9Å; G490-I492 PolarHBondContact O-N 2.88Å; I492-F495 HydrophobicContact CD1-CD1 4.07Å; I492-F495 PolarHBondContact O-N 2.88Å; I492-Y496 HydrophobicContact CG2-CD1 4.47Å; I492-Y496 HydrophobicContact CG2-CD2 3.81Å; I492-Y496 HydrophobicContact CG2-CE1 4.09Å; I492-Y496 HydrophobicContact CG2-CE2 3.34Å; I492-Y496 HydrophobicContact CG2-CG 4.35Å; I492-Y496 VanDerWaalsContact CG2-CZ 3.5Å; I492-Y496 PolarHBondContact O-N 2.91Å
493	A	88.7	Confident	83.7	Confident	14 Å²	14	48.1 Å²	48.1	12%	0.116	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-45	178.3	0	0	0	0	0	111	M485 S488 G490 F491 F495 A497	M485-A493 HydrophobicContact CE-CB 3.74Å; M485-A493 HydrophobicContact SD-CB 4.31Å; S488-A493 VanDerWaalsContact O-CB 3.27Å; S488-A493 WeakPolarHBondContact O-CB 3.29Å; G490-A493 WeakPolarHBondContact O-CB 3.3Å; G490-A493 PolarHBondContact O-N 2.98Å; F491-A493 VanDerWaalsContact C-N 3.32Å; F491-A493 PolarHBondContact O-N 3.34Å; A493-F495 VanDerWaalsContact C-N 3.34Å; A493-A497 PolarHBondContact O-N 2.91Å
494	H	88.9	Confident	84.2	Confident	28 Å²	28	42.2 Å²	42.2	13%	0.13	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-40	170.6	-68.3	-82.3	0	0	0	111.1	L402 F405 G490 F491 Y496 A497 V498	L402-H494 HydrophobicContact CB-CB 4.36Å; L402-H494 HydrophobicContact CD1-CB 3.64Å; F405-H494 AromaticContact CD2-CD2 3.5Å; F405-H494 VanDerWaalsContact CD2-CD2 3.5Å; F405-H494 WeakPolarHBondContact CD2-CD2 3.41Å; F405-H494 AromaticContact CD2-NE2 3.33Å; F405-H494 VanDerWaalsContact CD2-NE2 3.33Å; F405-H494 WeakPolarHBondContact CD2-NE2 3.49Å; F405-H494 AromaticContact CE2-CD2 3.87Å; F405-H494 AromaticContact CE2-NE2 3.94Å; F405-H494 AromaticContact CG-CD2 3.59Å; F405-H494 AromaticContact CG-NE2 3.72Å; G490-H494 PolarHBondContact O-CD2 2.85Å; G490-H494 PolarHBondContact O-N 3.46Å; F491-H494 PolarHBondContact O-N 3.3Å; H494-Y496 PolarHBondContact O-N 3.26Å; H494-A497 WeakPolarHBondContact O-CB 3.33Å; H494-A497 PolarHBondContact O-N 3.11Å; H494-A497 VanDerWaalsContact O-N 3.12Å; H494-V498 PolarHBondContact O-N 2.86Å
495	F	86.5	Confident	85	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-51.1	176.8	-177.2	-151.3	0	0	0	113.6	T48 I52 F436 I437 F491 I492 A493 A497 V498 C499	T48-F495 VanDerWaalsContact O-CZ 3.23Å; T48-F495 WeakPolarHBondContact O-CZ 3.4Å; I52-F495 HydrophobicContact CD1-CB 3.59Å; I52-F495 HydrophobicContact CD1-CD2 3.32Å; I52-F495 HydrophobicContact CD1-CE2 4.28Å; I52-F495 HydrophobicContact CD1-CG 3.8Å; I52-F495 HydrophobicContact CG1-CD2 3.91Å; I52-F495 HydrophobicContact CG1-CE2 4.43Å; F436-F495 HydrophobicContact CE1-CE1 4.29Å; I437-F495 HydrophobicContact CD1-CE2 4.32Å; I437-F495 HydrophobicContact CD1-CZ 4.25Å; I437-F495 HydrophobicContact CG1-CE2 4.31Å; I437-F495 HydrophobicContact CG1-CZ 3.86Å; F491-F495 WeakPolarHBondContact O-CB 3.44Å; F491-F495 PolarHBondContact O-N 3.12Å; I492-F495 HydrophobicContact CD1-CD1 4.07Å; I492-F495 PolarHBondContact O-N 2.88Å; A493-F495 VanDerWaalsContact C-N 3.34Å; F495-A497 PolarHBondContact O-N 2.83Å; F495-V498 PolarHBondContact O-N 3.46Å; F495-V498 VanDerWaalsContact O-N 3.13Å; F495-C499 VanDerWaalsContact CD2-SG 3.52Å; F495-C499 WeakPolarHBondContact CE2-SG 3.39Å; F495-C499 PolarHBondContact O-N 3.22Å; F495-C499 PolarHBondContact O-SG 3.43Å
496	Y	87.6	Confident	85.7	Confident	13 Å²	13	33.6 Å²	33.6	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-19.2	178.6	-63.5	-17.5	0	0	0	113.1	T48 L478 K481 M485 I492 H494 E500	T48-Y496 HydrophobicContact CG2-CE1 4.28Å; L478-Y496 HydrophobicContact CD2-CD1 4.04Å; L478-Y496 HydrophobicContact CD2-CG 4.37Å; K481-Y496 HydrophobicContact CB-CD2 4.33Å; K481-Y496 HydrophobicContact CB-CE2 3.6Å; M485-Y496 HydrophobicContact CG-CD2 4.41Å; M485-Y496 HydrophobicContact CG-CE2 4.2Å; M485-Y496 HydrophobicContact SD-CD2 3.58Å; M485-Y496 VanDerWaalsContact SD-CD2 3.58Å; M485-Y496 HydrophobicContact SD-CE2 3.92Å; I492-Y496 HydrophobicContact CG2-CD1 4.47Å; I492-Y496 HydrophobicContact CG2-CD2 3.81Å; I492-Y496 HydrophobicContact CG2-CE1 4.09Å; I492-Y496 HydrophobicContact CG2-CE2 3.34Å; I492-Y496 HydrophobicContact CG2-CG 4.35Å; I492-Y496 VanDerWaalsContact CG2-CZ 3.5Å; I492-Y496 PolarHBondContact O-N 2.91Å; H494-Y496 PolarHBondContact O-N 3.26Å; Y496-E500 VanDerWaalsContact O-CB 3.31Å; Y496-E500 WeakPolarHBondContact O-CB 3.27Å; Y496-E500 PolarHBondContact O-N 2.98Å; Y496-E500 VanDerWaalsContact O-N 3.17Å
497	A	90.6	Very high	86.6	Confident	20 Å²	20	23.6 Å²	23.6	17%	0.165	14%	0.138	C	C	.	.	H	α-helix	trans	-71.1	-37.9	170.4	0	0	0	0	0	112.2	V398 A493 H494 F495	V398-A497 HydrophobicContact CB-CB 4.5Å; V398-A497 HydrophobicContact CG1-CB 4.42Å; A493-A497 PolarHBondContact O-N 2.91Å; H494-A497 WeakPolarHBondContact O-CB 3.33Å; H494-A497 PolarHBondContact O-N 3.11Å; H494-A497 VanDerWaalsContact O-N 3.12Å; F495-A497 PolarHBondContact O-N 2.83Å
498	V	89.8	Confident	87.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75.7	-43.1	175.3	-162.5	0	0	0	0	111.8	T51 I52 F395 V398 L402 H494 F495 E500 Q501 I502	T51-V498 HydrophobicContact CG2-CG1 3.63Å; T51-V498 VanDerWaalsContact OG1-CG1 3.28Å; T51-V498 WeakPolarHBondContact OG1-CG1 3.2Å; I52-V498 HydrophobicContact CD1-CG2 4.41Å; F395-V498 HydrophobicContact CD2-CG1 3.76Å; F395-V498 HydrophobicContact CE2-CG1 3.59Å; V398-V498 HydrophobicContact CB-CG2 4.23Å; V398-V498 HydrophobicContact CG2-CB 4.14Å; V398-V498 HydrophobicContact CG2-CG1 4.16Å; V398-V498 HydrophobicContact CG2-CG2 3.91Å; L402-V498 HydrophobicContact CB-CG2 4.46Å; L402-V498 HydrophobicContact CD2-CG2 3.99Å; H494-V498 PolarHBondContact O-N 2.86Å; F495-V498 PolarHBondContact O-N 3.46Å; F495-V498 VanDerWaalsContact O-N 3.13Å; V498-E500 PolarHBondContact O-N 3.21Å; V498-Q501 PolarHBondContact O-N 3.01Å; V498-I502 PolarHBondContact O-N 2.85Å; V498-I502 VanDerWaalsContact O-N 3.15Å
499	C	86.1	Confident	88.1	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-36.1	174.5	-70.5	0	0	0	0	112.9	F49 L478 F495 Q501 I502 S503 P504	F49-C499 PolarHBondContact O-SG 3.08Å; L478-C499 HydrophobicContact CD1-CB 4.04Å; L478-C499 HydrophobicContact CD2-CB 3.79Å; F495-C499 VanDerWaalsContact CD2-SG 3.52Å; F495-C499 WeakPolarHBondContact CE2-SG 3.39Å; F495-C499 PolarHBondContact O-N 3.22Å; F495-C499 PolarHBondContact O-SG 3.43Å; C499-Q501 PolarHBondContact O-N 3.45Å; C499-Q501 VanDerWaalsContact O-N 3.13Å; C499-I502 PolarHBondContact O-N 2.89Å; C499-S503 VanDerWaalsContact CA-OG 3.3Å; C499-S503 WeakPolarHBondContact CA-OG 3.35Å; C499-S503 VanDerWaalsContact CB-OG 3.24Å; C499-S503 WeakPolarHBondContact CB-OG 3.36Å; C499-S503 VanDerWaalsContact O-CB 3.31Å; C499-S503 WeakPolarHBondContact O-CB 3.49Å; C499-S503 PolarHBondContact O-N 3.23Å; C499-S503 PolarHBondContact O-OG 3.05Å; C499-P504 WeakPolarHBondContact O-CD 3.46Å
500	E	88.6	Confident	88.5	Confident	63 Å²	63	13.9 Å²	13.9	29%	0.294	7%	0.073	S	C	.	.	H	α-helix	trans	-58.4	-24.4	176.3	-175.6	163.4	-154.1	0	0	113.1	W475 L478 R482 Y496 V498	W475-E500 PolarHBondContact NE1-OE1 2.75Å; L478-E500 HydrophobicContact CD1-CB 4.39Å; R482-E500 IonicContact CZ-OE2 3.73Å; R482-E500 IonicContact NH2-OE2 3.3Å; R482-E500 PolarHBondContact NH2-OE2 3.11Å; Y496-E500 VanDerWaalsContact O-CB 3.31Å; Y496-E500 WeakPolarHBondContact O-CB 3.27Å; Y496-E500 PolarHBondContact O-N 2.98Å; Y496-E500 VanDerWaalsContact O-N 3.17Å; V498-E500 PolarHBondContact O-N 3.21Å
501	Q	90	Very high	88.6	Confident	63 Å²	63	15.2 Å²	15.2	29%	0.294	8%	0.079	S	C	.	.	H	α-helix	trans	-93.2	-46.3	175.1	-48.9	-54.2	-62.1	0	0	112.9	F395 V398 V498 C499	F395-Q501 HydrophobicContact CB-CB 3.87Å; F395-Q501 HydrophobicContact CB-CG 4.31Å; F395-Q501 HydrophobicContact CD2-CB 4.23Å; V398-Q501 HydrophobicContact CG2-CG 4.07Å; V498-Q501 PolarHBondContact O-N 3.01Å; C499-Q501 PolarHBondContact O-N 3.45Å; C499-Q501 VanDerWaalsContact O-N 3.13Å
502	I	88.1	Confident	88.6	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-93	-36.7	-169.3	-169.1	64.7	0	0	0	114.4	F49 L381 I384 I385 F395 V498 C499 V505 L506	F49-I502 WeakPolarHBondContact O-CG2 3.31Å; L381-I502 HydrophobicContact CB-CD1 4.25Å; L381-I502 HydrophobicContact CD2-CD1 4.46Å; L381-I502 HydrophobicContact CD2-CG1 4.43Å; I384-I502 HydrophobicContact CB-CD1 4.48Å; I384-I502 HydrophobicContact CG2-CD1 4.43Å; I385-I502 HydrophobicContact CD1-CD1 3.85Å; I385-I502 HydrophobicContact CG1-CD1 3.63Å; F395-I502 HydrophobicContact CD2-CB 3.95Å; F395-I502 HydrophobicContact CE2-CB 3.81Å; F395-I502 HydrophobicContact CE2-CD1 4.45Å; F395-I502 HydrophobicContact CE2-CG1 4.2Å; F395-I502 HydrophobicContact CE2-CG2 4.18Å; V498-I502 PolarHBondContact O-N 2.85Å; V498-I502 VanDerWaalsContact O-N 3.15Å; C499-I502 PolarHBondContact O-N 2.89Å; I502-V505 WeakPolarHBondContact O-CB 3.48Å; I502-V505 PolarHBondContact O-N 3.01Å; I502-L506 HydrophobicContact CD1-CD1 4.41Å; I502-L506 HydrophobicContact CD1-CG 4.33Å; I502-L506 HydrophobicContact CG1-CD1 3.7Å; I502-L506 HydrophobicContact CG1-CG 4.07Å; I502-L506 PolarHBondContact O-N 3.36Å
503	S	87.7	Confident	88.7	Confident	6 Å²	6	18.9 Å²	18.9	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-39.2	-173.2	-42.4	0	0	0	0	113.5	F49 C499 V505 L506 A507	F49-S503 PolarHBondContact O-OG 2.7Å; C499-S503 VanDerWaalsContact CA-OG 3.3Å; C499-S503 WeakPolarHBondContact CA-OG 3.35Å; C499-S503 VanDerWaalsContact CB-OG 3.24Å; C499-S503 WeakPolarHBondContact CB-OG 3.36Å; C499-S503 VanDerWaalsContact O-CB 3.31Å; C499-S503 WeakPolarHBondContact O-CB 3.49Å; C499-S503 PolarHBondContact O-N 3.23Å; C499-S503 PolarHBondContact O-OG 3.05Å; S503-V505 PolarHBondContact O-N 3.36Å; S503-L506 PolarHBondContact O-N 3.26Å; S503-A507 WeakPolarHBondContact O-CB 3.22Å; S503-A507 PolarHBondContact O-N 3.48Å
504	P	90.1	Very high	88.6	Confident	18 Å²	18	27.2 Å²	27.2	12%	0.117	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-32.8	171.3	-26.5	36.6	0	0	0	113.8	A471 C474 C499 W508	A471-P504 HydrophobicContact CB-CB 3.96Å; C474-P504 HydrophobicContact CB-CG 4.14Å; C499-P504 WeakPolarHBondContact O-CD 3.46Å; P504-W508 PolarHBondContact O-N 2.95Å
505	V	90.8	Very high	88.7	Confident	4 Å²	4	28 Å²	28	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-74.9	-44.5	179.3	-179.2	0	0	0	0	110.8	I384 I385 A388 K390 I502 S503 W508 G509	I384-V505 HydrophobicContact CG2-CG1 3.93Å; I385-V505 HydrophobicContact CG1-CG2 4.43Å; A388-V505 HydrophobicContact CB-CG1 3.37Å; K390-V505 HydrophobicContact CD-CG2 3.95Å; I502-V505 WeakPolarHBondContact O-CB 3.48Å; I502-V505 PolarHBondContact O-N 3.01Å; S503-V505 PolarHBondContact O-N 3.36Å; V505-W508 PolarHBondContact O-N 3.21Å; V505-G509 PolarHBondContact O-N 3.39Å
506	L	89.4	Confident	88.8	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-44.3	176.8	-72.7	170.1	0	0	0	112	F49 I384 L445 I502 S503 W508 G509 F510	F49-L506 HydrophobicContact CB-CD1 3.25Å; F49-L506 HydrophobicContact CD2-CD1 3.99Å; F49-L506 HydrophobicContact CG-CD1 3.7Å; I384-L506 HydrophobicContact CD1-CD2 3.65Å; I384-L506 HydrophobicContact CG2-CD2 3.94Å; L445-L506 HydrophobicContact CD1-CB 4.46Å; I502-L506 HydrophobicContact CD1-CD1 4.41Å; I502-L506 HydrophobicContact CD1-CG 4.33Å; I502-L506 HydrophobicContact CG1-CD1 3.7Å; I502-L506 HydrophobicContact CG1-CG 4.07Å; I502-L506 PolarHBondContact O-N 3.36Å; S503-L506 PolarHBondContact O-N 3.26Å; L506-W508 VanDerWaalsContact C-N 3.26Å; L506-W508 PolarHBondContact O-N 2.98Å; L506-G509 PolarHBondContact O-N 2.86Å; L506-F510 HydrophobicContact CB-CD2 4.5Å; L506-F510 HydrophobicContact CD2-CE2 4.14Å; L506-F510 VanDerWaalsContact O-CD2 3.27Å; L506-F510 WeakPolarHBondContact O-CD2 3.38Å; L506-F510 PolarHBondContact O-N 2.74Å
507	A	89.3	Confident	89	Confident	3 Å²	3	30.9 Å²	30.9	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-58.7	-38.6	175.9	0	0	0	0	0	112	L445 V470 S503 L511	L445-A507 HydrophobicContact CD2-CB 4.08Å; V470-A507 HydrophobicContact CG1-CB 3.62Å; S503-A507 WeakPolarHBondContact O-CB 3.22Å; S503-A507 PolarHBondContact O-N 3.48Å; A507-L511 VanDerWaalsContact O-CB 3.24Å; A507-L511 WeakPolarHBondContact O-CB 3.33Å; A507-L511 VanDerWaalsContact O-CG 3.3Å; A507-L511 WeakPolarHBondContact O-CG 3.24Å; A507-L511 PolarHBondContact O-N 2.91Å
508	W	90.4	Very high	89.1	Confident	24 Å²	24	31.6 Å²	31.6	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-73.5	-32.8	172.9	-175.5	-126.8	0	0	0	113.6	S463 K466 E467 V470 P504 V505 L506 G512 P513	S463-W508 VanDerWaalsContact O-CH2 3.27Å; S463-W508 WeakPolarHBondContact O-CH2 3.37Å; S463-W508 WeakPolarHBondContact O-CZ2 3.32Å; K466-W508 HydrophobicContact CB-CH2 3.81Å; K466-W508 HydrophobicContact CB-CZ3 3.71Å; E467-W508 HydrophobicContact CB-CD2 3.72Å; E467-W508 HydrophobicContact CB-CE3 4.1Å; E467-W508 HydrophobicContact CB-CG 4.18Å; E467-W508 HydrophobicContact CB-CH2 4.2Å; E467-W508 HydrophobicContact CB-CZ2 3.81Å; E467-W508 HydrophobicContact CB-CZ3 4.33Å; E467-W508 VanDerWaalsContact CD-NE1 3.28Å; E467-W508 HydrophobicContact CG-CB 4.39Å; E467-W508 HydrophobicContact CG-CD2 3.82Å; E467-W508 HydrophobicContact CG-CG 3.7Å; E467-W508 PolarHBondContact OE2-NE1 2.89Å; V470-W508 HydrophobicContact CG2-CE3 4.4Å; P504-W508 PolarHBondContact O-N 2.95Å; V505-W508 PolarHBondContact O-N 3.21Å; L506-W508 VanDerWaalsContact C-N 3.26Å; L506-W508 PolarHBondContact O-N 2.98Å; W508-G512 WeakPolarHBondContact O-CA 3.45Å; W508-G512 PolarHBondContact O-N 3.26Å; W508-P513 HydrophobicContact CZ2-CG 4.35Å
509	G	89.9	Confident	89.3	Confident	1 Å²	1	36 Å²	36	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-50.6	173.9	0	0	0	0	0	112.5	V505 L506 H518	V505-G509 PolarHBondContact O-N 3.39Å; L506-G509 PolarHBondContact O-N 2.86Å; G509-H518 VanDerWaalsContact O-CA 3.25Å; G509-H518 WeakPolarHBondContact O-CA 3.4Å; G509-H518 VanDerWaalsContact O-CB 3.28Å; G509-H518 WeakPolarHBondContact O-CB 3.48Å; G509-H518 PolarHBondContact O-ND1 3.18Å
510	F	88.6	Confident	89.6	Confident	28 Å²	28	36 Å²	36	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-71.9	-43.3	-179.5	-73.5	-72	0	0	0	113.2	F442 L445 L506 H518 C521 K525	F442-F510 HydrophobicContact CD1-CZ 4.26Å; F442-F510 HydrophobicContact CE1-CE2 4.47Å; F442-F510 AromaticContact CE1-CZ 3.92Å; F442-F510 HydrophobicContact CE1-CZ 3.92Å; L445-F510 HydrophobicContact CB-CB 4.47Å; L445-F510 HydrophobicContact CD1-CB 4.34Å; L445-F510 HydrophobicContact CD1-CD2 3.44Å; L445-F510 VanDerWaalsContact CD1-CD2 3.44Å; L445-F510 HydrophobicContact CD1-CE2 4.1Å; L445-F510 HydrophobicContact CD1-CG 4.18Å; L506-F510 HydrophobicContact CB-CD2 4.5Å; L506-F510 HydrophobicContact CD2-CE2 4.14Å; L506-F510 VanDerWaalsContact O-CD2 3.27Å; L506-F510 WeakPolarHBondContact O-CD2 3.38Å; L506-F510 PolarHBondContact O-N 2.74Å; F510-H518 PolarHBondContact O-CE1 3.08Å; F510-H518 PolarHBondContact O-ND1 2.69Å; F510-C521 HydrophobicContact CD1-CB 4.15Å; F510-C521 HydrophobicContact CD2-CB 4.2Å; F510-C521 VanDerWaalsContact CE1-C 3.44Å; F510-C521 HydrophobicContact CE1-CB 3.9Å; F510-C521 WeakPolarHBondContact CE1-O 3.45Å; F510-C521 HydrophobicContact CE2-CB 3.96Å; F510-C521 HydrophobicContact CG-CB 4.29Å; F510-C521 HydrophobicContact CZ-CB 3.8Å; F510-C521 WeakPolarHBondContact CZ-O 3.38Å; F510-K525 HydrophobicContact CE1-CB 3.83Å; F510-K525 HydrophobicContact CE1-CD 3.96Å; F510-K525 HydrophobicContact CZ-CB 3.9Å
511	L	87.8	Confident	89.7	Confident	32 Å²	32	33 Å²	33	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-95	-9.4	-173.6	-51.4	175.6	0	0	0	114.4	L445 P448 I452 I456 A507	L445-L511 VanDerWaalsContact O-CD2 3.32Å; L445-L511 WeakPolarHBondContact O-CD2 3.38Å; P448-L511 HydrophobicContact CB-CD1 3.92Å; P448-L511 HydrophobicContact CB-CD2 4.38Å; P448-L511 HydrophobicContact CG-CD1 4.19Å; P448-L511 HydrophobicContact CG-CD2 3.82Å; I452-L511 HydrophobicContact CG2-CD1 4.11Å; I456-L511 HydrophobicContact CD1-CB 3.41Å; I456-L511 VanDerWaalsContact CD1-CB 3.41Å; I456-L511 HydrophobicContact CD1-CD1 3.88Å; I456-L511 HydrophobicContact CD1-CG 4.26Å; I456-L511 VanDerWaalsContact CG2-O 3.22Å; I456-L511 WeakPolarHBondContact CG2-O 3.45Å; A507-L511 VanDerWaalsContact O-CB 3.24Å; A507-L511 WeakPolarHBondContact O-CB 3.33Å; A507-L511 VanDerWaalsContact O-CG 3.3Å; A507-L511 WeakPolarHBondContact O-CG 3.24Å; A507-L511 PolarHBondContact O-N 2.91Å
512	G	86.4	Confident	89.8	Confident	12 Å²	12	31.9 Å²	31.9	12%	0.124	17%	0.174	C	C	.	.	S	Bend	trans	-77.4	-178.8	-179.1	0	0	0	0	0	113.9	W508	W508-G512 WeakPolarHBondContact O-CA 3.45Å; W508-G512 PolarHBondContact O-N 3.26Å
513	P	88	Confident	90	Very high	65 Å²	65	34.1 Å²	34.1	42%	0.422	18%	0.184	S	C	.	.			trans	-65.2	148.2	175.9	29	-34.8	0	0	0	111.6	W508 S515	W508-P513 HydrophobicContact CZ2-CG 4.35Å; P513-S515 VanDerWaalsContact O-CB 3.3Å; P513-S515 WeakPolarHBondContact O-CB 3.42Å; P513-S515 PolarHBondContact O-N 3.06Å; P513-S515 VanDerWaalsContact O-N 3.09Å; P513-S515 PolarHBondContact O-OG 3.09Å
514	K	86.9	Confident	90.3	Very high	188 Å²	188	34.5 Å²	34.5	82%	0.817	18%	0.184	S	C	*	.	S	Bend	trans	-52.3	117.6	173.6	-66.9	-171.9	176.5	-173.6	0	110
515	S	89.2	Confident	90.4	Very high	44 Å²	44	35.4 Å²	35.4	31%	0.308	19%	0.187	S	C	.	.	S	Bend	trans	-161.2	164.2	-166.1	56.4	0	0	0	0	109	P513 L517 H518 E519	P513-S515 VanDerWaalsContact O-CB 3.3Å; P513-S515 WeakPolarHBondContact O-CB 3.42Å; P513-S515 PolarHBondContact O-N 3.06Å; P513-S515 VanDerWaalsContact O-N 3.09Å; P513-S515 PolarHBondContact O-OG 3.09Å; S515-L517 PolarHBondContact O-N 3.49Å; S515-L517 VanDerWaalsContact O-N 3.09Å; S515-H518 WeakPolarHBondContact O-CB 3.45Å; S515-H518 PolarHBondContact O-N 2.85Å; S515-H518 PolarHBondContact OG-N 3.15Å; S515-E519 WeakPolarHBondContact O-CG 3.1Å; S515-E519 PolarHBondContact O-N 3.47Å
516	S	89.9	Confident	90.6	Very high	65 Å²	65	38.3 Å²	38.3	46%	0.455	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.6	179.1	62.3	0	0	0	0	114.2	K387 F520	K387-S516 PolarHBondContact NZ-O 2.98Å; S516-F520 WeakPolarHBondContact O-CB 3.21Å
517	L	91.6	Very high	90.8	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.058	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-52.9	163.6	177	65.4	0	0	0	110.6	I384 K387 A388 S515 E519 F520 C521	I384-L517 HydrophobicContact CG2-CD1 3.94Å; K387-L517 HydrophobicContact CB-CD1 4.04Å; A388-L517 HydrophobicContact CB-CD1 4.02Å; A388-L517 HydrophobicContact CB-CD2 3.72Å; A388-L517 HydrophobicContact CB-CG 4.49Å; S515-L517 PolarHBondContact O-N 3.49Å; S515-L517 VanDerWaalsContact O-N 3.09Å; L517-E519 PolarHBondContact O-N 3.05Å; L517-F520 PolarHBondContact O-N 3.48Å; L517-F520 VanDerWaalsContact O-N 3.12Å; L517-C521 PolarHBondContact O-N 2.82Å; L517-C521 PolarHBondContact O-SG 3.07Å
518	H	92.3	Very high	91	Very high	36 Å²	36	39.5 Å²	39.5	17%	0.167	21%	0.208	C	C	.	.	H	α-helix	trans	-56.5	-48.4	178.8	177.7	84.5	0	0	0	112.4	G509 F510 S515 F520 C521 C522	G509-H518 VanDerWaalsContact O-CA 3.25Å; G509-H518 WeakPolarHBondContact O-CA 3.4Å; G509-H518 VanDerWaalsContact O-CB 3.28Å; G509-H518 WeakPolarHBondContact O-CB 3.48Å; G509-H518 PolarHBondContact O-ND1 3.18Å; F510-H518 PolarHBondContact O-CE1 3.08Å; F510-H518 PolarHBondContact O-ND1 2.69Å; S515-H518 WeakPolarHBondContact O-CB 3.45Å; S515-H518 PolarHBondContact O-N 2.85Å; S515-H518 PolarHBondContact OG-N 3.15Å; H518-F520 VanDerWaalsContact C-N 3.26Å; H518-F520 PolarHBondContact O-N 3.4Å; H518-C521 PolarHBondContact O-N 2.78Å; H518-C522 PolarHBondContact O-N 3.26Å; H518-C522 PolarHBondContact O-SG 3.21Å
519	E	93.4	Very high	91.2	Very high	92 Å²	92	39.8 Å²	39.8	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-56.7	-40.2	176	-68.8	169.2	178	0	0	111.9	S515 L517 F523	S515-E519 WeakPolarHBondContact O-CG 3.1Å; S515-E519 PolarHBondContact O-N 3.47Å; L517-E519 PolarHBondContact O-N 3.05Å; E519-F523 VanDerWaalsContact O-CB 3.3Å; E519-F523 WeakPolarHBondContact O-CB 3.35Å; E519-F523 PolarHBondContact O-N 3.3Å
520	F	92.6	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-76.7	-33.1	178.4	-173.1	-118.5	0	0	0	113.2	I384 K387 S516 L517 H518 F523 F524 L564 Y567 L568	I384-F520 HydrophobicContact CD1-CE1 4.41Å; I384-F520 HydrophobicContact CG1-CD1 3.79Å; I384-F520 HydrophobicContact CG1-CE1 3.53Å; K387-F520 HydrophobicContact CD-CB 3.64Å; K387-F520 HydrophobicContact CD-CD1 3.44Å; K387-F520 VanDerWaalsContact CD-CD1 3.44Å; K387-F520 HydrophobicContact CD-CE1 4.26Å; K387-F520 HydrophobicContact CD-CG 3.61Å; S516-F520 WeakPolarHBondContact O-CB 3.21Å; L517-F520 PolarHBondContact O-N 3.48Å; L517-F520 VanDerWaalsContact O-N 3.12Å; H518-F520 VanDerWaalsContact C-N 3.26Å; H518-F520 PolarHBondContact O-N 3.4Å; F520-F523 HydrophobicContact CD2-CD1 4.4Å; F520-F523 HydrophobicContact CE2-CD1 4.45Å; F520-F523 PolarHBondContact O-N 2.88Å; F520-F524 VanDerWaalsContact O-CB 3.27Å; F520-F524 WeakPolarHBondContact O-CB 3.35Å; F520-F524 PolarHBondContact O-N 3.39Å; F520-L564 HydrophobicContact CE2-CD2 4.32Å; F520-Y567 HydrophobicContact CB-CE1 4.26Å; F520-Y567 AromaticContact CD2-CD1 3.49Å; F520-Y567 HydrophobicContact CD2-CD1 3.49Å; F520-Y567 VanDerWaalsContact CD2-CD1 3.49Å; F520-Y567 AromaticContact CD2-CE1 3.87Å; F520-Y567 HydrophobicContact CD2-CE1 3.87Å; F520-Y567 HydrophobicContact CD2-CG 4.15Å; F520-Y567 HydrophobicContact CE2-CD1 4.04Å; F520-Y567 HydrophobicContact CE2-CG 4.44Å; F520-Y567 HydrophobicContact CG-CD1 4.45Å; F520-Y567 HydrophobicContact CG-CE1 4.49Å; F520-L568 HydrophobicContact CD1-CD2 4.23Å; F520-L568 HydrophobicContact CD2-CD2 4.4Å; F520-L568 HydrophobicContact CE1-CD1 4.35Å; F520-L568 HydrophobicContact CE1-CD2 3.72Å; F520-L568 HydrophobicContact CE1-CG 4.22Å; F520-L568 HydrophobicContact CE2-CD1 4.35Å; F520-L568 HydrophobicContact CE2-CD2 3.93Å; F520-L568 HydrophobicContact CE2-CG 3.79Å; F520-L568 HydrophobicContact CZ-CD1 3.69Å; F520-L568 HydrophobicContact CZ-CD2 3.57Å; F520-L568 HydrophobicContact CZ-CG 3.56Å
521	C	91.1	Very high	91.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-44.3	172	-73.4	0	0	0	0	111.4	F510 L517 H518 F524 K525	F510-C521 HydrophobicContact CD1-CB 4.15Å; F510-C521 HydrophobicContact CD2-CB 4.2Å; F510-C521 VanDerWaalsContact CE1-C 3.44Å; F510-C521 HydrophobicContact CE1-CB 3.9Å; F510-C521 WeakPolarHBondContact CE1-O 3.45Å; F510-C521 HydrophobicContact CE2-CB 3.96Å; F510-C521 HydrophobicContact CG-CB 4.29Å; F510-C521 HydrophobicContact CZ-CB 3.8Å; F510-C521 WeakPolarHBondContact CZ-O 3.38Å; L517-C521 PolarHBondContact O-N 2.82Å; L517-C521 PolarHBondContact O-SG 3.07Å; H518-C521 PolarHBondContact O-N 2.78Å; C521-F524 PolarHBondContact O-N 2.97Å; C521-K525 WeakPolarHBondContact O-CB 3.34Å; C521-K525 PolarHBondContact O-N 2.91Å
522	C	92	Very high	92.3	Very high	39 Å²	39	41.9 Å²	41.9	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-59.8	-50	171.1	-68.7	0	0	0	0	111.2	H518 F524 K525 D526	H518-C522 PolarHBondContact O-N 3.26Å; H518-C522 PolarHBondContact O-SG 3.21Å; C522-F524 VanDerWaalsContact C-N 3.3Å; C522-F524 PolarHBondContact O-N 2.89Å; C522-K525 WeakPolarHBondContact O-CB 3.32Å; C522-K525 PolarHBondContact O-N 3.37Å; C522-K525 VanDerWaalsContact O-N 3.16Å; C522-D526 WeakPolarHBondContact O-CB 3.43Å; C522-D526 PolarHBondContact O-N 3Å
523	F	93.4	Very high	92.7	Very high	47 Å²	47	43.9 Å²	43.9	21%	0.206	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-36.9	177.8	-174	-110.7	0	0	0	113.2	E519 F520 D526 Q527 L563 L564 Y567	E519-F523 VanDerWaalsContact O-CB 3.3Å; E519-F523 WeakPolarHBondContact O-CB 3.35Å; E519-F523 PolarHBondContact O-N 3.3Å; F520-F523 HydrophobicContact CD2-CD1 4.4Å; F520-F523 HydrophobicContact CE2-CD1 4.45Å; F520-F523 PolarHBondContact O-N 2.88Å; F523-D526 PolarHBondContact O-N 3.35Å; F523-Q527 HydrophobicContact CD1-CG 4.44Å; F523-Q527 HydrophobicContact CE1-CG 4.06Å; F523-Q527 HydrophobicContact CE2-CG 4.35Å; F523-Q527 VanDerWaalsContact CE2-NE2 3.28Å; F523-Q527 HydrophobicContact CZ-CG 4.01Å; F523-Q527 WeakPolarHBondContact O-CG 3.38Å; F523-Q527 PolarHBondContact O-N 3.39Å; F523-L563 HydrophobicContact CZ-CB 4.42Å; F523-L564 HydrophobicContact CD1-CD2 3.74Å; F523-L564 HydrophobicContact CE1-CD2 3.86Å; F523-Y567 HydrophobicContact CB-CE2 4.36Å; F523-Y567 AromaticContact CD1-CD2 3.51Å; F523-Y567 HydrophobicContact CD1-CD2 3.51Å; F523-Y567 HydrophobicContact CD1-CE2 4.17Å; F523-Y567 AromaticContact CD1-CG 3.76Å; F523-Y567 HydrophobicContact CD1-CG 3.76Å; F523-Y567 HydrophobicContact CD2-CD2 4.25Å; F523-Y567 HydrophobicContact CD2-CE2 4.44Å; F523-Y567 AromaticContact CE1-CD2 3.64Å; F523-Y567 HydrophobicContact CE1-CD2 3.64Å; F523-Y567 AromaticContact CE1-CG 3.87Å; F523-Y567 HydrophobicContact CE1-CG 3.87Å; F523-Y567 HydrophobicContact CE2-CD2 4.35Å; F523-Y567 AromaticContact CG-CD2 3.84Å; F523-Y567 HydrophobicContact CG-CD2 3.84Å; F523-Y567 HydrophobicContact CG-CE2 4.07Å; F523-Y567 HydrophobicContact CG-CG 4.47Å; F523-Y567 HydrophobicContact CZ-CD2 4.06Å
524	F	93.1	Very high	93.1	Very high	14 Å²	14	41.3 Å²	41.3	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-50.9	172.4	169.2	-106.4	0	0	0	112.2	I380 L381 I384 F442 F520 C521 C522 D526 Q527 V528 L564	I380-F524 HydrophobicContact CG2-CD2 3.76Å; I380-F524 HydrophobicContact CG2-CE2 3.89Å; L381-F524 HydrophobicContact CD2-CZ 4.35Å; I384-F524 HydrophobicContact CD1-CD1 4.34Å; I384-F524 HydrophobicContact CD1-CG 4.34Å; F442-F524 HydrophobicContact CE1-CE1 4.48Å; F442-F524 HydrophobicContact CZ-CD1 4.44Å; F442-F524 HydrophobicContact CZ-CE1 4.11Å; F520-F524 VanDerWaalsContact O-CB 3.27Å; F520-F524 WeakPolarHBondContact O-CB 3.35Å; F520-F524 PolarHBondContact O-N 3.39Å; C521-F524 PolarHBondContact O-N 2.97Å; C522-F524 VanDerWaalsContact C-N 3.3Å; C522-F524 PolarHBondContact O-N 2.89Å; F524-D526 VanDerWaalsContact C-N 3.29Å; F524-D526 PolarHBondContact O-N 2.92Å; F524-Q527 PolarHBondContact O-N 2.93Å; F524-V528 HydrophobicContact CD2-CG2 4.48Å; F524-V528 HydrophobicContact CE2-CG2 3.99Å; F524-V528 HydrophobicContact CZ-CG2 4.03Å; F524-V528 PolarHBondContact O-N 3.07Å; F524-V528 VanDerWaalsContact O-N 3.11Å; F524-L564 HydrophobicContact CB-CD2 4.3Å; F524-L564 HydrophobicContact CD2-CD1 4.08Å; F524-L564 HydrophobicContact CD2-CD2 4.42Å
525	K	92.7	Very high	93.6	Very high	37 Å²	37	32.4 Å²	32.4	16%	0.161	17%	0.169	C	C	.	.	H	α-helix	trans	-53.5	-49.3	173.2	172.2	179.1	177.1	-171.3	0	111	F442 E446 F510 C521 C522 Q527 V528 L529	F442-K525 HydrophobicContact CD1-CB 3.84Å; F442-K525 HydrophobicContact CD1-CD 3.68Å; F442-K525 HydrophobicContact CD1-CG 3.49Å; F442-K525 VanDerWaalsContact CD1-CG 3.49Å; F442-K525 HydrophobicContact CD2-CG 4.47Å; F442-K525 HydrophobicContact CE1-CB 3.39Å; F442-K525 HydrophobicContact CE1-CD 4.16Å; F442-K525 HydrophobicContact CE1-CG 3.55Å; F442-K525 HydrophobicContact CE2-CG 4.48Å; F442-K525 HydrophobicContact CG-CD 4.29Å; F442-K525 HydrophobicContact CG-CG 4.04Å; F442-K525 HydrophobicContact CZ-CB 3.93Å; F442-K525 HydrophobicContact CZ-CG 4.07Å; E446-K525 WeakPolarHBondContact OE1-CE 3.34Å; E446-K525 IonicContact OE1-NZ 3.72Å; E446-K525 PolarHBondContact OE1-NZ 2.93Å; F510-K525 HydrophobicContact CE1-CB 3.83Å; F510-K525 HydrophobicContact CE1-CD 3.96Å; F510-K525 HydrophobicContact CZ-CB 3.9Å; C521-K525 WeakPolarHBondContact O-CB 3.34Å; C521-K525 PolarHBondContact O-N 2.91Å; C522-K525 WeakPolarHBondContact O-CB 3.32Å; C522-K525 PolarHBondContact O-N 3.37Å; C522-K525 VanDerWaalsContact O-N 3.16Å; K525-Q527 VanDerWaalsContact C-N 3.35Å; K525-Q527 PolarHBondContact O-N 3.15Å; K525-V528 PolarHBondContact O-N 3.15Å; K525-V528 VanDerWaalsContact O-N 3.14Å; K525-L529 HydrophobicContact CD-CD1 4.37Å; K525-L529 HydrophobicContact CG-CD1 3.77Å; K525-L529 HydrophobicContact CG-CG 4.26Å; K525-L529 WeakPolarHBondContact O-CG 3.39Å; K525-L529 PolarHBondContact O-N 3.19Å
526	D	94.3	Very high	93.9	Very high	65 Å²	65	30.5 Å²	30.5	35%	0.348	16%	0.155	S	C	.	.	H	α-helix	trans	-61.3	-42.3	-179	-64.1	-22.1	0	0	0	111.1	C522 F523 F524 V528 L529 H530	C522-D526 WeakPolarHBondContact O-CB 3.43Å; C522-D526 PolarHBondContact O-N 3Å; F523-D526 PolarHBondContact O-N 3.35Å; F524-D526 VanDerWaalsContact C-N 3.29Å; F524-D526 PolarHBondContact O-N 2.92Å; D526-V528 VanDerWaalsContact C-N 3.32Å; D526-V528 PolarHBondContact O-N 3.25Å; D526-L529 PolarHBondContact O-N 3.09Å; D526-H530 WeakPolarHBondContact O-CB 3.38Å; D526-H530 PolarHBondContact O-N 2.78Å; D526-H530 PolarHBondContact O-ND1 3.09Å
527	Q	94.5	Very high	94.1	Very high	13 Å²	13	29.4 Å²	29.4	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-32.8	176.8	-65.9	-35.1	-70.4	0	0	113	F523 F524 K525 F531 R560 L564	F523-Q527 HydrophobicContact CD1-CG 4.44Å; F523-Q527 HydrophobicContact CE1-CG 4.06Å; F523-Q527 HydrophobicContact CE2-CG 4.35Å; F523-Q527 VanDerWaalsContact CE2-NE2 3.28Å; F523-Q527 HydrophobicContact CZ-CG 4.01Å; F523-Q527 WeakPolarHBondContact O-CG 3.38Å; F523-Q527 PolarHBondContact O-N 3.39Å; F524-Q527 PolarHBondContact O-N 2.93Å; K525-Q527 VanDerWaalsContact C-N 3.35Å; K525-Q527 PolarHBondContact O-N 3.15Å; Q527-F531 VanDerWaalsContact O-CB 3.24Å; Q527-F531 WeakPolarHBondContact O-CB 3.38Å; Q527-F531 PolarHBondContact O-N 2.78Å; Q527-R560 VanDerWaalsContact OE1-CD 3.25Å; Q527-L564 HydrophobicContact CB-CD1 4.12Å; Q527-L564 HydrophobicContact CB-CD2 4Å; Q527-L564 HydrophobicContact CB-CG 4.08Å; Q527-L564 HydrophobicContact CG-CD1 4.46Å; Q527-L564 HydrophobicContact CG-CD2 3.66Å; Q527-L564 HydrophobicContact CG-CG 3.86Å
528	V	93.4	Very high	94	Very high	16 Å²	16	30.4 Å²	30.4	10%	0.097	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-44.9	173.9	177.6	0	0	0	0	111.4	L438 F442 F524 K525 D526 F531 L532	L438-V528 HydrophobicContact CB-CG1 4.37Å; L438-V528 HydrophobicContact CD1-CG1 3.84Å; L438-V528 HydrophobicContact CD1-CG2 4.3Å; F442-V528 HydrophobicContact CE2-CB 4.04Å; F442-V528 HydrophobicContact CE2-CG1 3.88Å; F442-V528 HydrophobicContact CZ-CB 4.24Å; F442-V528 HydrophobicContact CZ-CG1 4.49Å; F442-V528 HydrophobicContact CZ-CG2 4.44Å; F524-V528 HydrophobicContact CD2-CG2 4.48Å; F524-V528 HydrophobicContact CE2-CG2 3.99Å; F524-V528 HydrophobicContact CZ-CG2 4.03Å; F524-V528 PolarHBondContact O-N 3.07Å; F524-V528 VanDerWaalsContact O-N 3.11Å; K525-V528 PolarHBondContact O-N 3.15Å; K525-V528 VanDerWaalsContact O-N 3.14Å; D526-V528 VanDerWaalsContact C-N 3.32Å; D526-V528 PolarHBondContact O-N 3.25Å; V528-F531 WeakPolarHBondContact O-CB 3.27Å; V528-F531 PolarHBondContact O-N 3.03Å; V528-L532 HydrophobicContact CG1-CD1 4.22Å; V528-L532 PolarHBondContact O-N 3.49Å
529	L	94.4	Very high	94	Very high	31 Å²	31	35.6 Å²	35.6	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-42.2	178.2	-69.3	177.3	0	0	0	112.1	I340 M439 K525 D526 L532 K533	I340-L529 HydrophobicContact CG2-CD2 4.42Å; M439-L529 HydrophobicContact CE-CD2 3.66Å; M439-L529 HydrophobicContact SD-CD2 3.56Å; M439-L529 VanDerWaalsContact SD-CD2 3.56Å; K525-L529 HydrophobicContact CD-CD1 4.37Å; K525-L529 HydrophobicContact CG-CD1 3.77Å; K525-L529 HydrophobicContact CG-CG 4.26Å; K525-L529 WeakPolarHBondContact O-CG 3.39Å; K525-L529 PolarHBondContact O-N 3.19Å; D526-L529 PolarHBondContact O-N 3.09Å; L529-L532 PolarHBondContact O-N 3.48Å; L529-K533 WeakPolarHBondContact O-CB 3.5Å; L529-K533 WeakPolarHBondContact O-CG 3.19Å; L529-K533 PolarHBondContact O-N 3.16Å
530	H	95.6	Very high	93.9	Very high	89 Å²	89	36.1 Å²	36.1	41%	0.412	18%	0.18	S	C	.	.	H	α-helix	trans	-68.7	-35.2	174.8	-71.7	91.4	0	0	0	112.2	D526 L532 D534 R560	D526-H530 WeakPolarHBondContact O-CB 3.38Å; D526-H530 PolarHBondContact O-N 2.78Å; D526-H530 PolarHBondContact O-ND1 3.09Å; H530-L532 VanDerWaalsContact C-N 3.35Å; H530-D534 VanDerWaalsContact O-CB 3.23Å; H530-D534 WeakPolarHBondContact O-CB 3.48Å; H530-D534 PolarHBondContact O-N 3.09Å; H530-R560 VanDerWaalsContact CB-CZ 3.48Å
531	F	96.4	Very high	94	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-48.8	170.4	171.6	-103.5	0	0	0	110.8	L434 Q527 V528 D534 V535 L556 L557 R560	L434-F531 HydrophobicContact CD1-CE1 4Å; L434-F531 HydrophobicContact CD2-CE1 4.41Å; Q527-F531 VanDerWaalsContact O-CB 3.24Å; Q527-F531 WeakPolarHBondContact O-CB 3.38Å; Q527-F531 PolarHBondContact O-N 2.78Å; V528-F531 WeakPolarHBondContact O-CB 3.27Å; V528-F531 PolarHBondContact O-N 3.03Å; F531-D534 PolarHBondContact O-N 3.38Å; F531-V535 HydrophobicContact CD2-CG2 4.16Å; F531-V535 HydrophobicContact CE1-CG2 4.36Å; F531-V535 HydrophobicContact CE2-CG2 3.77Å; F531-V535 HydrophobicContact CZ-CG2 3.89Å; F531-V535 WeakPolarHBondContact O-CB 3.14Å; F531-V535 VanDerWaalsContact O-CG2 3.24Å; F531-V535 WeakPolarHBondContact O-CG2 3.35Å; F531-V535 PolarHBondContact O-N 3.31Å; F531-L556 HydrophobicContact CD2-CB 3.99Å; F531-L556 HydrophobicContact CE2-CB 4.04Å; F531-L557 HydrophobicContact CE2-CB 3.86Å; F531-L557 HydrophobicContact CE2-CD1 4.15Å; F531-L557 HydrophobicContact CZ-CB 4.4Å; F531-L557 HydrophobicContact CZ-CD1 4.08Å; F531-R560 HydrophobicContact CB-CG 4.11Å; F531-R560 HydrophobicContact CD2-CG 4.47Å
532	L	96.3	Very high	94.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-44.9	-179.8	-83.5	169.7	0	0	0	112.9	L341 Y430 L434 M439 V528 L529 H530 V535 F536	L341-L532 HydrophobicContact CD2-CB 3.69Å; Y430-L532 HydrophobicContact CD2-CD2 4.26Å; Y430-L532 HydrophobicContact CE2-CD2 3.66Å; L434-L532 HydrophobicContact CB-CD2 4.08Å; L434-L532 HydrophobicContact CD1-CD2 3.91Å; M439-L532 HydrophobicContact CG-CD1 3.86Å; M439-L532 HydrophobicContact SD-CD1 3.5Å; M439-L532 WeakPolarHBondContact SD-CD1 3.24Å; V528-L532 HydrophobicContact CG1-CD1 4.22Å; V528-L532 PolarHBondContact O-N 3.49Å; L529-L532 PolarHBondContact O-N 3.48Å; H530-L532 VanDerWaalsContact C-N 3.35Å; L532-V535 PolarHBondContact O-N 3.48Å; L532-F536 WeakPolarHBondContact O-CD2 3.41Å; L532-F536 PolarHBondContact O-N 2.98Å
533	K	96.4	Very high	94.2	Very high	55 Å²	55	39 Å²	39	24%	0.239	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-49.7	173.7	-74.9	178.1	167.5	-162.5	0	112	I340 E342 L529 V535 F536 D537	I340-K533 WeakPolarHBondContact O-CE 3.43Å; E342-K533 VanDerWaalsContact CD-CE 3.49Å; E342-K533 IonicContact OE1-NZ 3.76Å; E342-K533 PolarHBondContact OE1-NZ 3.44Å; E342-K533 VanDerWaalsContact OE2-CD 3.32Å; E342-K533 WeakPolarHBondContact OE2-CD 3.22Å; E342-K533 WeakPolarHBondContact OE2-CE 3.49Å; E342-K533 IonicContact OE2-NZ 3.89Å; E342-K533 PolarHBondContact OE2-NZ 2.81Å; L529-K533 WeakPolarHBondContact O-CB 3.5Å; L529-K533 WeakPolarHBondContact O-CG 3.19Å; L529-K533 PolarHBondContact O-N 3.16Å; K533-V535 PolarHBondContact O-N 3.29Å; K533-F536 PolarHBondContact O-N 2.9Å; K533-D537 WeakPolarHBondContact O-CB 3.44Å; K533-D537 PolarHBondContact O-N 3.48Å
534	D	96.8	Very high	94.2	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-29.8	-179.4	-69	-13.9	0	0	0	112.8	H530 F531 K540 L556 R560	H530-D534 VanDerWaalsContact O-CB 3.23Å; H530-D534 WeakPolarHBondContact O-CB 3.48Å; H530-D534 PolarHBondContact O-N 3.09Å; F531-D534 PolarHBondContact O-N 3.38Å; D534-K540 HydrophobicContact CB-CD 3.89Å; D534-K540 WeakPolarHBondContact OD1-CD 3.5Å; D534-K540 VanDerWaalsContact OD1-CE 3.28Å; D534-K540 WeakPolarHBondContact OD1-CE 3.49Å; D534-K540 IonicContact OD1-NZ 2.96Å; D534-K540 PolarHBondContact OD1-NZ 3.47Å; D534-L556 HydrophobicContact CB-CD1 3.7Å; D534-L556 HydrophobicContact CB-CD2 4.06Å; D534-R560 IonicContact OD2-CZ 2.67Å; D534-R560 IonicContact OD2-NE 2.7Å; D534-R560 IonicContact OD2-NH2 3.06Å; D534-R560 PolarHBondContact OD2-NH2 2.93Å
535	V	96.6	Very high	94.3	Very high	2 Å²	2	40 Å²	40	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-77.6	-22.9	177.2	167	0	0	0	0	113	V356 F531 L532 K533 V541 Y543 M553 L556	V356-V535 HydrophobicContact CB-CG1 4.49Å; V356-V535 HydrophobicContact CG1-CG1 4.08Å; V356-V535 HydrophobicContact CG2-CG1 3.54Å; F531-V535 HydrophobicContact CD2-CG2 4.16Å; F531-V535 HydrophobicContact CE1-CG2 4.36Å; F531-V535 HydrophobicContact CE2-CG2 3.77Å; F531-V535 HydrophobicContact CZ-CG2 3.89Å; F531-V535 WeakPolarHBondContact O-CB 3.14Å; F531-V535 VanDerWaalsContact O-CG2 3.24Å; F531-V535 WeakPolarHBondContact O-CG2 3.35Å; F531-V535 PolarHBondContact O-N 3.31Å; L532-V535 PolarHBondContact O-N 3.48Å; K533-V535 PolarHBondContact O-N 3.29Å; V535-V541 WeakPolarHBondContact O-CG2 3.35Å; V535-Y543 PolarHBondContact O-OH 3.21Å; V535-M553 HydrophobicContact CB-CG 4.47Å; V535-M553 HydrophobicContact CG1-CE 4.07Å; V535-M553 HydrophobicContact CG1-CG 3.84Å; V535-M553 HydrophobicContact CG1-SD 3.9Å; V535-M553 HydrophobicContact CG2-CG 3.86Å; V535-L556 HydrophobicContact CG2-CD1 3.76Å
536	F	95.9	Very high	94.4	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.013	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	7.9	176.2	-80	-111.9	0	0	0	112.8	L341 F349 K352 L353 V356 Y430 L532 K533	L341-F536 HydrophobicContact CB-CB 4.41Å; L341-F536 HydrophobicContact CB-CG 4.39Å; L341-F536 HydrophobicContact CD1-CD1 4.03Å; L341-F536 HydrophobicContact CD1-CD2 4.06Å; L341-F536 HydrophobicContact CD1-CE1 3.98Å; L341-F536 HydrophobicContact CD1-CE2 4.02Å; L341-F536 HydrophobicContact CD1-CG 4.08Å; L341-F536 HydrophobicContact CD1-CZ 3.98Å; F349-F536 HydrophobicContact CD2-CD1 4.12Å; F349-F536 AromaticContact CD2-CE1 3.6Å; F349-F536 HydrophobicContact CD2-CE1 3.6Å; F349-F536 HydrophobicContact CD2-CZ 4.47Å; F349-F536 AromaticContact CE2-CE1 3.75Å; F349-F536 HydrophobicContact CE2-CE1 3.75Å; F349-F536 HydrophobicContact CE2-CZ 4.18Å; K352-F536 HydrophobicContact CB-CD1 3.51Å; K352-F536 HydrophobicContact CB-CE1 3.71Å; K352-F536 HydrophobicContact CB-CG 4.34Å; K352-F536 HydrophobicContact CD-CB 4.27Å; K352-F536 HydrophobicContact CD-CD1 4.02Å; K352-F536 VanDerWaalsContact CD-O 3.29Å; K352-F536 WeakPolarHBondContact CD-O 2.94Å; K352-F536 WeakPolarHBondContact CE-O 3.32Å; K352-F536 HydrophobicContact CG-CD1 4.4Å; K352-F536 PolarHBondContact NZ-O 3.28Å; L353-F536 HydrophobicContact CB-CE1 4.26Å; L353-F536 HydrophobicContact CB-CZ 4.32Å; V356-F536 HydrophobicContact CB-CE2 4.4Å; V356-F536 HydrophobicContact CB-CZ 4.48Å; V356-F536 HydrophobicContact CG1-CE2 4.2Å; V356-F536 HydrophobicContact CG2-CD2 4.36Å; V356-F536 HydrophobicContact CG2-CE2 3.92Å; V356-F536 HydrophobicContact CG2-CZ 4.22Å; Y430-F536 HydrophobicContact CD2-CE2 4.28Å; Y430-F536 HydrophobicContact CD2-CZ 4.42Å; Y430-F536 AromaticContact CE2-CE2 3.6Å; Y430-F536 HydrophobicContact CE2-CE2 3.6Å; Y430-F536 AromaticContact CE2-CZ 3.68Å; Y430-F536 HydrophobicContact CE2-CZ 3.68Å; L532-F536 WeakPolarHBondContact O-CD2 3.41Å; L532-F536 PolarHBondContact O-N 2.98Å; K533-F536 PolarHBondContact O-N 2.9Å
537	D	93.8	Very high	94.5	Very high	42 Å²	42	42.3 Å²	42.3	23%	0.225	21%	0.211	C	C	.	.			trans	-105.2	116.3	-175.1	-174.2	-21.6	0	0	0	111.1	K533 D539 K540 V541	K533-D537 WeakPolarHBondContact O-CB 3.44Å; K533-D537 PolarHBondContact O-N 3.48Å; D537-D539 VanDerWaalsContact C-N 3.25Å; D537-D539 PolarHBondContact O-N 3.22Å; D537-D539 PolarHBondContact OD1-N 2.64Å; D537-K540 HydrophobicContact CB-CB 4.2Å; D537-K540 HydrophobicContact CB-CD 4.01Å; D537-K540 HydrophobicContact CB-CG 4.24Å; D537-K540 PolarHBondContact O-N 3.12Å; D537-K540 VanDerWaalsContact OD2-CD 3.24Å; D537-K540 WeakPolarHBondContact OD2-CD 3.43Å; D537-K540 WeakPolarHBondContact OD2-CE 3.34Å; D537-K540 IonicContact OD2-NZ 3.55Å; D537-K540 PolarHBondContact OD2-NZ 3.22Å; D537-V541 PolarHBondContact O-N 3.03Å; D537-V541 VanDerWaalsContact O-N 3.15Å
538	L	90	Very high	94.6	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.168	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.4	-176.9	-62.6	177.9	0	0	0	112.9	L313 K540 Y543	L313-L538 HydrophobicContact CD2-CD1 4.33Å; L538-K540 VanDerWaalsContact C-N 3.27Å; L538-Y543 HydrophobicContact CD2-CD2 3.46Å; L538-Y543 VanDerWaalsContact CD2-CD2 3.46Å; L538-Y543 HydrophobicContact CD2-CE2 3.93Å; L538-Y543 HydrophobicContact CD2-CG 3.91Å
539	D	90.4	Very high	94.7	Very high	145 Å²	145	42.4 Å²	42.4	78%	0.775	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.7	178.4	-67.9	-28.3	0	0	0	112.2	D537	D537-D539 VanDerWaalsContact C-N 3.25Å; D537-D539 PolarHBondContact O-N 3.22Å; D537-D539 PolarHBondContact OD1-N 2.64Å
540	K	91.7	Very high	94.8	Very high	104 Å²	104	41.3 Å²	41.3	45%	0.452	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-27.9	-176.6	-65	178.2	-167.2	142.4	0	114.9	D534 D537 L538	D534-K540 HydrophobicContact CB-CD 3.89Å; D534-K540 WeakPolarHBondContact OD1-CD 3.5Å; D534-K540 VanDerWaalsContact OD1-CE 3.28Å; D534-K540 WeakPolarHBondContact OD1-CE 3.49Å; D534-K540 IonicContact OD1-NZ 2.96Å; D534-K540 PolarHBondContact OD1-NZ 3.47Å; D537-K540 HydrophobicContact CB-CB 4.2Å; D537-K540 HydrophobicContact CB-CD 4.01Å; D537-K540 HydrophobicContact CB-CG 4.24Å; D537-K540 PolarHBondContact O-N 3.12Å; D537-K540 VanDerWaalsContact OD2-CD 3.24Å; D537-K540 WeakPolarHBondContact OD2-CD 3.43Å; D537-K540 WeakPolarHBondContact OD2-CE 3.34Å; D537-K540 IonicContact OD2-NZ 3.55Å; D537-K540 PolarHBondContact OD2-NZ 3.22Å; L538-K540 VanDerWaalsContact C-N 3.27Å
541	V	94.9	Very high	94.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	21%	0.211	C	C	.	.	S	Bend	trans	-133.8	140.8	178.3	-55.5	0	0	0	0	112.5	V535 D537 Y543 L549 D552 L556	V535-V541 WeakPolarHBondContact O-CG2 3.35Å; D537-V541 PolarHBondContact O-N 3.03Å; D537-V541 VanDerWaalsContact O-N 3.15Å; V541-Y543 HydrophobicContact CG2-CD2 3.89Å; V541-Y543 HydrophobicContact CG2-CE2 3.41Å; V541-Y543 VanDerWaalsContact CG2-CE2 3.41Å; V541-Y543 WeakPolarHBondContact O-CD2 3.3Å; V541-Y543 PolarHBondContact O-N 3.2Å; V541-L549 HydrophobicContact CB-CD1 3.94Å; V541-L549 HydrophobicContact CG2-CD1 3.51Å; V541-D552 HydrophobicContact CB-CB 3.85Å; V541-D552 HydrophobicContact CG1-CB 3.82Å; V541-L556 HydrophobicContact CG1-CD1 3.42Å; V541-L556 VanDerWaalsContact CG1-CD1 3.42Å; V541-L556 HydrophobicContact CG1-CG 4.44Å
542	R	93.6	Very high	94.9	Very high	97 Å²	97	42.4 Å²	42.4	37%	0.366	21%	0.214	S	C	.	.			trans	-84.5	97	-171.1	-63.7	167.7	-67.4	152.5	1.9	111.6	S544 T548 L549 E551 D552	R542-S544 PolarHBondContact O-N 2.92Å; R542-T548 PolarHBondContact O-OG1 3.04Å; R542-L549 PolarHBondContact O-N 3.34Å; R542-E551 IonicContact CZ-OE2 3.34Å; R542-E551 IonicContact NH1-OE2 2.85Å; R542-E551 IonicContact NH2-OE2 3.62Å; R542-E551 PolarHBondContact NH2-OE2 3.03Å; R542-D552 VanDerWaalsContact CB-OD2 3.32Å; R542-D552 WeakPolarHBondContact CB-OD2 3.21Å; R542-D552 WeakPolarHBondContact CG-OD2 3.17Å; R542-D552 IonicContact CZ-OD1 3.21Å; R542-D552 IonicContact CZ-OD2 3.3Å; R542-D552 PolarHBondContact N-OD2 3.2Å; R542-D552 IonicContact NE-OD1 2.69Å; R542-D552 PolarHBondContact NE-OD1 3.17Å; R542-D552 IonicContact NE-OD2 2.74Å; R542-D552 PolarHBondContact NE-OD2 3.33Å; R542-D552 IonicContact NH2-OD1 3.74Å; R542-D552 PolarHBondContact NH2-OD1 2.82Å; R542-D552 IonicContact NH2-OD2 3.18Å
543	Y	94	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	39.8	169.9	-76.4	-101	0	0	0	113.7	H316 K352 C355 V356 V535 L538 V541 L549	H316-Y543 CarbonylContact C-O 3.59Å; H316-Y543 VanDerWaalsContact CA-O 3.28Å; H316-Y543 WeakPolarHBondContact CA-O 3.34Å; H316-Y543 WeakPolarHBondContact CB-O 3.35Å; K352-Y543 HydrophobicContact CB-CE1 4.2Å; K352-Y543 HydrophobicContact CG-CE1 4Å; C355-Y543 HydrophobicContact CB-CD1 3.71Å; C355-Y543 HydrophobicContact CB-CE1 3.53Å; V356-Y543 WeakPolarHBondContact CG2-OH 3.36Å; V535-Y543 PolarHBondContact O-OH 3.21Å; L538-Y543 HydrophobicContact CD2-CD2 3.46Å; L538-Y543 VanDerWaalsContact CD2-CD2 3.46Å; L538-Y543 HydrophobicContact CD2-CE2 3.93Å; L538-Y543 HydrophobicContact CD2-CG 3.91Å; V541-Y543 HydrophobicContact CG2-CD2 3.89Å; V541-Y543 HydrophobicContact CG2-CE2 3.41Å; V541-Y543 VanDerWaalsContact CG2-CE2 3.41Å; V541-Y543 WeakPolarHBondContact O-CD2 3.3Å; V541-Y543 PolarHBondContact O-N 3.2Å; Y543-L549 HydrophobicContact CD1-CD2 3.99Å; Y543-L549 HydrophobicContact CD2-CD1 4.19Å; Y543-L549 HydrophobicContact CE1-CD1 4.36Å; Y543-L549 HydrophobicContact CE1-CD2 3.82Å; Y543-L549 HydrophobicContact CE2-CD1 3.99Å; Y543-L549 HydrophobicContact CG-CD1 4.47Å
544	S	93	Very high	94.9	Very high	51 Å²	51	41.8 Å²	41.8	36%	0.357	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-29.1	-179.5	-60.5	0	0	0	0	112.9	H315 R542	H315-S544 PolarHBondContact O-OG 3.08Å; R542-S544 PolarHBondContact O-N 2.92Å
545	S	94.9	Very high	94.8	Very high	32 Å²	32	47.2 Å²	47.2	22%	0.224	24%	0.238	C	C	.	.			trans	-155.6	170.3	171.5	85.2	0	0	0	0	111.6	E547 T548 L549	S545-E547 VanDerWaalsContact C-N 3.29Å; S545-E547 WeakPolarHBondContact CB-OE2 3.37Å; S545-E547 PolarHBondContact O-N 3.36Å; S545-E547 PolarHBondContact OG-N 2.66Å; S545-E547 PolarHBondContact OG-OE2 3.48Å; S545-T548 PolarHBondContact N-OG1 2.85Å; S545-T548 PolarHBondContact O-OG1 2.92Å; S545-T548 PolarHBondContact OG-N 2.8Å; S545-T548 PolarHBondContact OG-OG1 2.87Å; S545-L549 WeakPolarHBondContact O-CB 3.49Å; S545-L549 PolarHBondContact O-N 3.49Å; S545-L549 VanDerWaalsContact O-N 3.14Å
546	V	96.2	Very high	94.8	Very high	30 Å²	30	48 Å²	48	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-39.5	175.2	-172.5	0	0	0	0	111.2	F318 Q358 L362 A550	F318-V546 HydrophobicContact CD2-CG2 4.39Å; F318-V546 HydrophobicContact CE1-CG2 4.07Å; F318-V546 HydrophobicContact CE2-CG2 3.77Å; F318-V546 HydrophobicContact CZ-CB 4.44Å; F318-V546 HydrophobicContact CZ-CG2 3.59Å; Q358-V546 HydrophobicContact CB-CG1 4Å; Q358-V546 HydrophobicContact CB-CG2 4.44Å; L362-V546 HydrophobicContact CB-CG1 4.31Å; L362-V546 HydrophobicContact CD2-CG1 4.03Å; V546-A550 WeakPolarHBondContact O-CB 3.28Å; V546-A550 PolarHBondContact O-N 2.92Å
547	E	96.3	Very high	94.7	Very high	120 Å²	120	49 Å²	49	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-70.2	-43.4	-177.3	-54.1	76.1	-168.2	0	0	112	L362 S545 A550 E551	L362-E547 HydrophobicContact CD2-CB 4.37Å; L362-E547 HydrophobicContact CD2-CG 4.1Å; S545-E547 VanDerWaalsContact C-N 3.29Å; S545-E547 WeakPolarHBondContact CB-OE2 3.37Å; S545-E547 PolarHBondContact O-N 3.36Å; S545-E547 PolarHBondContact OG-N 2.66Å; S545-E547 PolarHBondContact OG-OE2 3.48Å; E547-A550 PolarHBondContact O-N 2.71Å; E547-E551 WeakPolarHBondContact O-CB 3.49Å; E547-E551 PolarHBondContact O-N 3.3Å
548	T	95.6	Very high	94.7	Very high	30 Å²	30	50 Å²	50	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-40.6	179.7	43.8	0	0	0	0	111.8	R542 S545 E551 D552	R542-T548 PolarHBondContact O-OG1 3.04Å; S545-T548 PolarHBondContact N-OG1 2.85Å; S545-T548 PolarHBondContact O-OG1 2.92Å; S545-T548 PolarHBondContact OG-N 2.8Å; S545-T548 PolarHBondContact OG-OG1 2.87Å; T548-E551 PolarHBondContact O-N 2.65Å; T548-D552 PolarHBondContact O-N 3.21Å
549	L	96.6	Very high	94.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-41	172	-177.2	61.6	0	0	0	111.9	F318 C355 A359 V541 R542 Y543 S545 D552 M553	F318-L549 HydrophobicContact CE1-CD2 4.04Å; C355-L549 HydrophobicContact CB-CD2 3.7Å; A359-L549 HydrophobicContact CB-CB 4.31Å; A359-L549 HydrophobicContact CB-CD2 4.02Å; A359-L549 HydrophobicContact CB-CG 3.91Å; V541-L549 HydrophobicContact CB-CD1 3.94Å; V541-L549 HydrophobicContact CG2-CD1 3.51Å; R542-L549 PolarHBondContact O-N 3.34Å; Y543-L549 HydrophobicContact CD1-CD2 3.99Å; Y543-L549 HydrophobicContact CD2-CD1 4.19Å; Y543-L549 HydrophobicContact CE1-CD1 4.36Å; Y543-L549 HydrophobicContact CE1-CD2 3.82Å; Y543-L549 HydrophobicContact CE2-CD1 3.99Å; Y543-L549 HydrophobicContact CG-CD1 4.47Å; S545-L549 WeakPolarHBondContact O-CB 3.49Å; S545-L549 PolarHBondContact O-N 3.49Å; S545-L549 VanDerWaalsContact O-N 3.14Å; L549-D552 PolarHBondContact O-N 2.99Å; L549-M553 HydrophobicContact CD1-CG 4.15Å; L549-M553 HydrophobicContact CD1-SD 4.13Å; L549-M553 HydrophobicContact CD2-SD 4.38Å; L549-M553 HydrophobicContact CG-CG 4.33Å; L549-M553 HydrophobicContact CG-SD 3.82Å; L549-M553 VanDerWaalsContact O-CB 3.24Å; L549-M553 WeakPolarHBondContact O-CB 3.11Å; L549-M553 WeakPolarHBondContact O-CG 3.48Å; L549-M553 PolarHBondContact O-N 3.42Å
550	A	96.9	Very high	95.1	Very high	8 Å²	8	50.4 Å²	50.4	7%	0.066	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-38.9	176.2	0	0	0	0	0	113.4	A359 L362 I363 V546 E547 L554	A359-A550 HydrophobicContact CB-CB 4.09Å; L362-A550 HydrophobicContact CB-CB 4.36Å; L362-A550 HydrophobicContact CD2-CB 3.88Å; L362-A550 HydrophobicContact CG-CB 4.28Å; I363-A550 HydrophobicContact CD1-CB 4.27Å; I363-A550 HydrophobicContact CG1-CB 3.9Å; V546-A550 WeakPolarHBondContact O-CB 3.28Å; V546-A550 PolarHBondContact O-N 2.92Å; E547-A550 PolarHBondContact O-N 2.71Å; A550-L554 VanDerWaalsContact O-CB 3.23Å; A550-L554 WeakPolarHBondContact O-CB 3.22Å; A550-L554 PolarHBondContact O-N 3.42Å
551	E	96.4	Very high	95	Very high	100 Å²	100	46 Å²	46	47%	0.467	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-51	173.7	179.4	174.5	-119.8	0	0	111	R542 E547 T548 L554 H555	R542-E551 IonicContact CZ-OE2 3.34Å; R542-E551 IonicContact NH1-OE2 2.85Å; R542-E551 IonicContact NH2-OE2 3.62Å; R542-E551 PolarHBondContact NH2-OE2 3.03Å; E547-E551 WeakPolarHBondContact O-CB 3.49Å; E547-E551 PolarHBondContact O-N 3.3Å; T548-E551 PolarHBondContact O-N 2.65Å; E551-L554 PolarHBondContact O-N 3.29Å; E551-H555 PolarHBondContact O-CD2 2.92Å; E551-H555 VanDerWaalsContact O-CD2 3.32Å; E551-H555 PolarHBondContact O-N 3.22Å
552	D	96.9	Very high	94.9	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.139	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-43.5	-179.5	-67.8	-17.2	0	0	0	112.1	V541 R542 T548 L549 L554 H555 L556	V541-D552 HydrophobicContact CB-CB 3.85Å; V541-D552 HydrophobicContact CG1-CB 3.82Å; R542-D552 VanDerWaalsContact CB-OD2 3.32Å; R542-D552 WeakPolarHBondContact CB-OD2 3.21Å; R542-D552 WeakPolarHBondContact CG-OD2 3.17Å; R542-D552 IonicContact CZ-OD1 3.21Å; R542-D552 IonicContact CZ-OD2 3.3Å; R542-D552 PolarHBondContact N-OD2 3.2Å; R542-D552 IonicContact NE-OD1 2.69Å; R542-D552 PolarHBondContact NE-OD1 3.17Å; R542-D552 IonicContact NE-OD2 2.74Å; R542-D552 PolarHBondContact NE-OD2 3.33Å; R542-D552 IonicContact NH2-OD1 3.74Å; R542-D552 PolarHBondContact NH2-OD1 2.82Å; R542-D552 IonicContact NH2-OD2 3.18Å; T548-D552 PolarHBondContact O-N 3.21Å; L549-D552 PolarHBondContact O-N 2.99Å; D552-L554 VanDerWaalsContact C-N 3.34Å; D552-L554 PolarHBondContact O-N 2.92Å; D552-H555 PolarHBondContact O-N 2.87Å; D552-L556 WeakPolarHBondContact O-CG 3.32Å; D552-L556 PolarHBondContact O-N 3.4Å
553	M	96.8	Very high	94.9	Very high	4 Å²	4	49 Å²	49	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-41.4	174.1	-78	176.7	60.6	0	0	112.3	V356 A359 I363 V535 L549 L556 L557	V356-M553 HydrophobicContact CG1-CE 3.9Å; V356-M553 HydrophobicContact CG1-SD 4.43Å; V356-M553 HydrophobicContact CG2-SD 4.37Å; A359-M553 HydrophobicContact CB-CE 4.24Å; A359-M553 HydrophobicContact CB-SD 3.44Å; A359-M553 WeakPolarHBondContact CB-SD 3.27Å; I363-M553 HydrophobicContact CD1-CB 3.82Å; I363-M553 HydrophobicContact CD1-CE 4.14Å; V535-M553 HydrophobicContact CB-CG 4.47Å; V535-M553 HydrophobicContact CG1-CE 4.07Å; V535-M553 HydrophobicContact CG1-CG 3.84Å; V535-M553 HydrophobicContact CG1-SD 3.9Å; V535-M553 HydrophobicContact CG2-CG 3.86Å; L549-M553 HydrophobicContact CD1-CG 4.15Å; L549-M553 HydrophobicContact CD1-SD 4.13Å; L549-M553 HydrophobicContact CD2-SD 4.38Å; L549-M553 HydrophobicContact CG-CG 4.33Å; L549-M553 HydrophobicContact CG-SD 3.82Å; L549-M553 VanDerWaalsContact O-CB 3.24Å; L549-M553 WeakPolarHBondContact O-CB 3.11Å; L549-M553 WeakPolarHBondContact O-CG 3.48Å; L549-M553 PolarHBondContact O-N 3.42Å; M553-L556 PolarHBondContact O-N 2.91Å; M553-L557 VanDerWaalsContact O-CB 3.29Å; M553-L557 WeakPolarHBondContact O-CB 3.29Å; M553-L557 PolarHBondContact O-N 2.62Å
554	L	94.9	Very high	94.8	Very high	40 Å²	40	49.3 Å²	49.3	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-37.9	178	-177.6	54.9	0	0	0	111.4	T369 A550 E551 D552 L557 H558	T369-L554 HydrophobicContact CG2-CD1 3.81Å; T369-L554 HydrophobicContact CG2-CD2 4.4Å; A550-L554 VanDerWaalsContact O-CB 3.23Å; A550-L554 WeakPolarHBondContact O-CB 3.22Å; A550-L554 PolarHBondContact O-N 3.42Å; E551-L554 PolarHBondContact O-N 3.29Å; D552-L554 VanDerWaalsContact C-N 3.34Å; D552-L554 PolarHBondContact O-N 2.92Å; L554-L557 HydrophobicContact CD1-CD2 3.98Å; L554-L557 WeakPolarHBondContact O-CB 3.14Å; L554-L557 PolarHBondContact O-N 3.09Å; L554-H558 PolarHBondContact O-CD2 2.95Å; L554-H558 PolarHBondContact O-N 3.2Å
555	H	96.3	Very high	94.5	Very high	124 Å²	124	50 Å²	50	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-63.5	-43.5	172.3	-86.4	-64.5	0	0	0	112.9	E551 D552 L557 H558 R559	E551-H555 PolarHBondContact O-CD2 2.92Å; E551-H555 VanDerWaalsContact O-CD2 3.32Å; E551-H555 PolarHBondContact O-N 3.22Å; D552-H555 PolarHBondContact O-N 2.87Å; H555-L557 VanDerWaalsContact C-N 3.34Å; H555-H558 PolarHBondContact O-N 3.32Å; H555-R559 WeakPolarHBondContact O-CB 3.39Å; H555-R559 PolarHBondContact O-N 3.49Å
556	L	96.1	Very high	94.3	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-44.1	173.1	-73.6	175	0	0	0	111.4	F531 D534 V535 V541 D552 M553 R559 R560	F531-L556 HydrophobicContact CD2-CB 3.99Å; F531-L556 HydrophobicContact CE2-CB 4.04Å; D534-L556 HydrophobicContact CB-CD1 3.7Å; D534-L556 HydrophobicContact CB-CD2 4.06Å; V535-L556 HydrophobicContact CG2-CD1 3.76Å; V541-L556 HydrophobicContact CG1-CD1 3.42Å; V541-L556 VanDerWaalsContact CG1-CD1 3.42Å; V541-L556 HydrophobicContact CG1-CG 4.44Å; D552-L556 WeakPolarHBondContact O-CG 3.32Å; D552-L556 PolarHBondContact O-N 3.4Å; M553-L556 PolarHBondContact O-N 2.91Å; L556-R559 PolarHBondContact O-N 3.12Å; L556-R560 WeakPolarHBondContact O-CB 3.37Å; L556-R560 WeakPolarHBondContact O-CG 3.23Å; L556-R560 PolarHBondContact O-N 2.74Å
557	L	93.5	Very high	93.9	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-47.6	178.6	-176.7	80.6	0	0	0	112	F372 L373 F531 M553 L554 H555 S561	F372-L557 HydrophobicContact CE1-CD2 3.95Å; F372-L557 HydrophobicContact CE1-CG 4.34Å; L373-L557 HydrophobicContact CD1-CD2 4.11Å; L373-L557 HydrophobicContact CD2-CD1 3.86Å; L373-L557 HydrophobicContact CD2-CD2 3.61Å; L373-L557 HydrophobicContact CD2-CG 4.2Å; L373-L557 HydrophobicContact CG-CD2 3.78Å; F531-L557 HydrophobicContact CE2-CB 3.86Å; F531-L557 HydrophobicContact CE2-CD1 4.15Å; F531-L557 HydrophobicContact CZ-CB 4.4Å; F531-L557 HydrophobicContact CZ-CD1 4.08Å; M553-L557 VanDerWaalsContact O-CB 3.29Å; M553-L557 WeakPolarHBondContact O-CB 3.29Å; M553-L557 PolarHBondContact O-N 2.62Å; L554-L557 HydrophobicContact CD1-CD2 3.98Å; L554-L557 WeakPolarHBondContact O-CB 3.14Å; L554-L557 PolarHBondContact O-N 3.09Å; H555-L557 VanDerWaalsContact C-N 3.34Å; L557-S561 WeakPolarHBondContact O-CB 3.39Å; L557-S561 PolarHBondContact O-N 3.29Å; L557-S561 PolarHBondContact O-OG 3.44Å
558	H	93.5	Very high	93.3	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.301	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-53.1	174.2	-83.2	-68.9	0	0	0	111.1	F372 L554 H555 R560 S561 D562	F372-H558 AromaticContact CD1-CE1 3.57Å; F372-H558 AromaticContact CD2-CE1 3.7Å; F372-H558 AromaticContact CE1-CE1 3.45Å; F372-H558 VanDerWaalsContact CE1-CE1 3.45Å; F372-H558 WeakPolarHBondContact CE1-CE1 3.14Å; F372-H558 AromaticContact CE1-ND1 3.57Å; F372-H558 AromaticContact CE2-CE1 3.58Å; F372-H558 AromaticContact CE2-ND1 3.48Å; F372-H558 WeakPolarHBondContact CE2-ND1 3.32Å; F372-H558 AromaticContact CG-CE1 3.7Å; F372-H558 AromaticContact CZ-CE1 3.48Å; F372-H558 VanDerWaalsContact CZ-CE1 3.48Å; F372-H558 WeakPolarHBondContact CZ-CE1 3.41Å; F372-H558 AromaticContact CZ-ND1 3.21Å; F372-H558 WeakPolarHBondContact CZ-ND1 3.24Å; L554-H558 PolarHBondContact O-CD2 2.95Å; L554-H558 PolarHBondContact O-N 3.2Å; H555-H558 PolarHBondContact O-N 3.32Å; H558-R560 VanDerWaalsContact C-N 3.31Å; H558-R560 PolarHBondContact O-N 3.18Å; H558-S561 WeakPolarHBondContact O-CA 3.38Å; H558-S561 WeakPolarHBondContact O-CB 3.32Å; H558-S561 PolarHBondContact O-N 2.92Å; H558-D562 PolarHBondContact O-N 3.18Å
559	R	95.1	Very high	92.3	Very high	153 Å²	153	48.6 Å²	48.6	58%	0.577	25%	0.25	S	S	*	.	H	α-helix	trans	-54.7	-44	179.8	-178.7	-176.9	178.8	-162.6	1	112.8	H555 L556 L563	H555-R559 WeakPolarHBondContact O-CB 3.39Å; H555-R559 PolarHBondContact O-N 3.49Å; L556-R559 PolarHBondContact O-N 3.12Å; R559-L563 HydrophobicContact CG-CD1 4.48Å; R559-L563 VanDerWaalsContact O-CG 3.29Å; R559-L563 WeakPolarHBondContact O-CG 3.36Å; R559-L563 PolarHBondContact O-N 3.3Å; R559-L563 VanDerWaalsContact O-N 3.11Å
560	R	93.4	Very high	90.8	Very high	32 Å²	32	51 Å²	51	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-34.4	179.4	-65.3	-77.1	174.6	-162	-0.9	111.7	Q527 H530 F531 D534 L556 H558 L564	Q527-R560 VanDerWaalsContact OE1-CD 3.25Å; H530-R560 VanDerWaalsContact CB-CZ 3.48Å; F531-R560 HydrophobicContact CB-CG 4.11Å; F531-R560 HydrophobicContact CD2-CG 4.47Å; D534-R560 IonicContact OD2-CZ 2.67Å; D534-R560 IonicContact OD2-NE 2.7Å; D534-R560 IonicContact OD2-NH2 3.06Å; D534-R560 PolarHBondContact OD2-NH2 2.93Å; L556-R560 WeakPolarHBondContact O-CB 3.37Å; L556-R560 WeakPolarHBondContact O-CG 3.23Å; L556-R560 PolarHBondContact O-N 2.74Å; H558-R560 VanDerWaalsContact C-N 3.31Å; H558-R560 PolarHBondContact O-N 3.18Å; R560-L564 WeakPolarHBondContact O-CG 3.42Å; R560-L564 PolarHBondContact O-N 3.21Å
561	S	90.6	Very high	88.9	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-45.7	173.3	-57	0	0	0	0	112.2	T376 L557 H558 L563 L564 L565	T376-S561 WeakPolarHBondContact CG2-OG 3.01Å; L557-S561 WeakPolarHBondContact O-CB 3.39Å; L557-S561 PolarHBondContact O-N 3.29Å; L557-S561 PolarHBondContact O-OG 3.44Å; H558-S561 WeakPolarHBondContact O-CA 3.38Å; H558-S561 WeakPolarHBondContact O-CB 3.32Å; H558-S561 PolarHBondContact O-N 2.92Å; S561-L563 VanDerWaalsContact C-N 3.33Å; S561-L563 PolarHBondContact O-N 2.67Å; S561-L564 PolarHBondContact O-N 3.39Å; S561-L564 VanDerWaalsContact O-N 3.16Å; S561-L565 WeakPolarHBondContact O-CG 3.46Å; S561-L565 PolarHBondContact O-N 2.87Å
562	D	92.3	Very high	86.8	Confident	92 Å²	92	51.6 Å²	51.6	49%	0.492	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-37.4	179.1	-66.7	-28.8	0	0	0	111.6	H558 L564 L565 A566	H558-D562 PolarHBondContact O-N 3.18Å; D562-L564 PolarHBondContact O-N 3.28Å; D562-L565 PolarHBondContact O-N 3.21Å; D562-A566 WeakPolarHBondContact O-CB 3.3Å; D562-A566 PolarHBondContact O-N 2.72Å
563	L	93.8	Very high	84.2	Confident	70 Å²	70	57.4 Å²	57.4	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-39.8	172.9	-74.3	168.8	0	0	0	112.6	F523 R559 S561 Y567	F523-L563 HydrophobicContact CZ-CB 4.42Å; R559-L563 HydrophobicContact CG-CD1 4.48Å; R559-L563 VanDerWaalsContact O-CG 3.29Å; R559-L563 WeakPolarHBondContact O-CG 3.36Å; R559-L563 PolarHBondContact O-N 3.3Å; R559-L563 VanDerWaalsContact O-N 3.11Å; S561-L563 VanDerWaalsContact C-N 3.33Å; S561-L563 PolarHBondContact O-N 2.67Å; L563-Y567 PolarHBondContact O-N 3.49Å
564	L	91.4	Very high	81.5	Confident	8 Å²	8	65 Å²	65	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-67.4	-42.6	176.4	-68.9	168.5	0	0	0	112.1	I380 F520 F523 F524 Q527 R560 S561 D562 Y567 L568	I380-L564 HydrophobicContact CD1-CB 4.39Å; I380-L564 HydrophobicContact CD1-CD1 3.74Å; I380-L564 HydrophobicContact CG1-CB 4.35Å; I380-L564 HydrophobicContact CG1-CD1 4.39Å; F520-L564 HydrophobicContact CE2-CD2 4.32Å; F523-L564 HydrophobicContact CD1-CD2 3.74Å; F523-L564 HydrophobicContact CE1-CD2 3.86Å; F524-L564 HydrophobicContact CB-CD2 4.3Å; F524-L564 HydrophobicContact CD2-CD1 4.08Å; F524-L564 HydrophobicContact CD2-CD2 4.42Å; Q527-L564 HydrophobicContact CB-CD1 4.12Å; Q527-L564 HydrophobicContact CB-CD2 4Å; Q527-L564 HydrophobicContact CB-CG 4.08Å; Q527-L564 HydrophobicContact CG-CD1 4.46Å; Q527-L564 HydrophobicContact CG-CD2 3.66Å; Q527-L564 HydrophobicContact CG-CG 3.86Å; R560-L564 WeakPolarHBondContact O-CG 3.42Å; R560-L564 PolarHBondContact O-N 3.21Å; S561-L564 PolarHBondContact O-N 3.39Å; S561-L564 VanDerWaalsContact O-N 3.16Å; D562-L564 PolarHBondContact O-N 3.28Å; L564-Y567 PolarHBondContact O-N 3.25Å; L564-L568 WeakPolarHBondContact O-CG 3.39Å; L564-L568 PolarHBondContact O-N 3.03Å
565	L	88	Confident	78.8	Confident	64 Å²	64	68.2 Å²	68.2	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-35.9	177.2	-63.9	173.9	0	0	0	112	K379 S561 D562 L568 G569	K379-L565 HydrophobicContact CB-CD2 4.45Å; S561-L565 WeakPolarHBondContact O-CG 3.46Å; S561-L565 PolarHBondContact O-N 2.87Å; D562-L565 PolarHBondContact O-N 3.21Å; L565-L568 HydrophobicContact CD2-CD1 4.4Å; L565-L568 PolarHBondContact O-N 3.46Å; L565-G569 PolarHBondContact O-N 3.34Å
566	A	90.1	Very high	76.1	Confident	61 Å²	61	70.5 Å²	70.5	50%	0.504	39%	0.385	S	S	.	.	H	α-helix	trans	-66.4	-39.4	174.5	0	0	0	0	0	112.5	D562 L568 G569 A570	D562-A566 WeakPolarHBondContact O-CB 3.3Å; D562-A566 PolarHBondContact O-N 2.72Å; A566-L568 VanDerWaalsContact C-N 3.33Å; A566-L568 PolarHBondContact O-N 3.38Å; A566-G569 PolarHBondContact O-N 3.3Å; A566-A570 WeakPolarHBondContact O-CB 3.21Å; A566-A570 PolarHBondContact O-N 3.05Å
567	Y	87.6	Confident	73.2	Confident	53 Å²	53	76.2 Å²	76.2	21%	0.208	43%	0.426	C	S	.	.	H	α-helix	trans	-59.3	-44.7	173.9	-169.9	-72.5	0	0	0	111.3	F520 F523 L563 L564 G569 A570 D571	F520-Y567 HydrophobicContact CB-CE1 4.26Å; F520-Y567 AromaticContact CD2-CD1 3.49Å; F520-Y567 HydrophobicContact CD2-CD1 3.49Å; F520-Y567 VanDerWaalsContact CD2-CD1 3.49Å; F520-Y567 AromaticContact CD2-CE1 3.87Å; F520-Y567 HydrophobicContact CD2-CE1 3.87Å; F520-Y567 HydrophobicContact CD2-CG 4.15Å; F520-Y567 HydrophobicContact CE2-CD1 4.04Å; F520-Y567 HydrophobicContact CE2-CG 4.44Å; F520-Y567 HydrophobicContact CG-CD1 4.45Å; F520-Y567 HydrophobicContact CG-CE1 4.49Å; F523-Y567 HydrophobicContact CB-CE2 4.36Å; F523-Y567 AromaticContact CD1-CD2 3.51Å; F523-Y567 HydrophobicContact CD1-CD2 3.51Å; F523-Y567 HydrophobicContact CD1-CE2 4.17Å; F523-Y567 AromaticContact CD1-CG 3.76Å; F523-Y567 HydrophobicContact CD1-CG 3.76Å; F523-Y567 HydrophobicContact CD2-CD2 4.25Å; F523-Y567 HydrophobicContact CD2-CE2 4.44Å; F523-Y567 AromaticContact CE1-CD2 3.64Å; F523-Y567 HydrophobicContact CE1-CD2 3.64Å; F523-Y567 AromaticContact CE1-CG 3.87Å; F523-Y567 HydrophobicContact CE1-CG 3.87Å; F523-Y567 HydrophobicContact CE2-CD2 4.35Å; F523-Y567 AromaticContact CG-CD2 3.84Å; F523-Y567 HydrophobicContact CG-CD2 3.84Å; F523-Y567 HydrophobicContact CG-CE2 4.07Å; F523-Y567 HydrophobicContact CG-CG 4.47Å; F523-Y567 HydrophobicContact CZ-CD2 4.06Å; L563-Y567 PolarHBondContact O-N 3.49Å; L564-Y567 PolarHBondContact O-N 3.25Å; Y567-G569 PolarHBondContact O-N 2.93Å; Y567-A570 PolarHBondContact O-N 3.44Å; Y567-D571 PolarHBondContact O-N 3.16Å
568	L	82.6	Confident	70.5	Confident	33 Å²	33	78.1 Å²	78.1	17%	0.173	45%	0.452	C	S	.	.	H	α-helix	trans	-61.8	-41.4	176	-70.7	166.6	0	0	0	112.4	S383 K387 F520 L564 L565 A566 A572	S383-L568 VanDerWaalsContact CB-CD1 3.4Å; S383-L568 WeakPolarHBondContact OG-CD1 3.04Å; K387-L568 HydrophobicContact CD-CD2 3.96Å; F520-L568 HydrophobicContact CD1-CD2 4.23Å; F520-L568 HydrophobicContact CD2-CD2 4.4Å; F520-L568 HydrophobicContact CE1-CD1 4.35Å; F520-L568 HydrophobicContact CE1-CD2 3.72Å; F520-L568 HydrophobicContact CE1-CG 4.22Å; F520-L568 HydrophobicContact CE2-CD1 4.35Å; F520-L568 HydrophobicContact CE2-CD2 3.93Å; F520-L568 HydrophobicContact CE2-CG 3.79Å; F520-L568 HydrophobicContact CZ-CD1 3.69Å; F520-L568 HydrophobicContact CZ-CD2 3.57Å; F520-L568 HydrophobicContact CZ-CG 3.56Å; L564-L568 WeakPolarHBondContact O-CG 3.39Å; L564-L568 PolarHBondContact O-N 3.03Å; L565-L568 HydrophobicContact CD2-CD1 4.4Å; L565-L568 PolarHBondContact O-N 3.46Å; A566-L568 VanDerWaalsContact C-N 3.33Å; A566-L568 PolarHBondContact O-N 3.38Å; L568-A572 PolarHBondContact O-N 3.28Å
569	G	74.8	Confident	67.5	Low	36 Å²	36	81.3 Å²	81.3	37%	0.371	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-36.9	174.5	0	0	0	0	0	113.7	L565 A566 Y567 A572 L573	L565-G569 PolarHBondContact O-N 3.34Å; A566-G569 PolarHBondContact O-N 3.3Å; Y567-G569 PolarHBondContact O-N 2.93Å; G569-A572 WeakPolarHBondContact O-CB 3.31Å; G569-A572 PolarHBondContact O-N 3.43Å; G569-L573 PolarHBondContact O-N 3.12Å
570	A	65.6	Low	64.6	Low	50 Å²	50	80.2 Å²	80.2	41%	0.413	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-38.6	179.6	0	0	0	0	0	112.6	A566 Y567 L573 R574	A566-A570 WeakPolarHBondContact O-CB 3.21Å; A566-A570 PolarHBondContact O-N 3.05Å; Y567-A570 PolarHBondContact O-N 3.44Å; A570-L573 PolarHBondContact O-N 3.41Å; A570-R574 PolarHBondContact O-N 3.31Å
571	D	56.8	Low	61.5	Low	34 Å²	34	81.8 Å²	81.8	18%	0.182	52%	0.522	C	S	.	.	H	α-helix	trans	-68.6	-31.7	174	-88.5	-15.9	0	0	0	112.7	K387 Y567 L573 R574	K387-D571 IonicContact NZ-OD2 3.28Å; K387-D571 PolarHBondContact NZ-OD2 3.48Å; Y567-D571 PolarHBondContact O-N 3.16Å; D571-L573 PolarHBondContact O-N 3.19Å; D571-R574 PolarHBondContact O-N 3.31Å; D571-R574 VanDerWaalsContact O-N 3.12Å; D571-R574 WeakPolarHBondContact OD1-CD 3.5Å; D571-R574 IonicContact OD1-CZ 2.67Å; D571-R574 IonicContact OD1-NE 3.48Å; D571-R574 IonicContact OD1-NH1 2.72Å; D571-R574 PolarHBondContact OD1-NH1 3.27Å
572	A	51.8	Low	58.8	Low	88 Å²	88	87.4 Å²	87.4	73%	0.727	56%	0.559	S	S	*	*	H	α-helix	trans	-66.1	-22.5	172.4	0	0	0	0	0	112.9	L568 G569	L568-A572 PolarHBondContact O-N 3.28Å; G569-A572 WeakPolarHBondContact O-CB 3.31Å; G569-A572 PolarHBondContact O-N 3.43Å
573	L	43.2	Very low	56.1	Low	148 Å²	148	94.6 Å²	94.6	78%	0.775	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	6.9	174.6	-64.6	175.7	0	0	0	113.7	G569 A570 D571 P575	G569-L573 PolarHBondContact O-N 3.12Å; A570-L573 PolarHBondContact O-N 3.41Å; D571-L573 PolarHBondContact O-N 3.19Å; L573-P575 VanDerWaalsContact C-CD 3.43Å; L573-P575 WeakPolarHBondContact O-CD 3.03Å
574	R	40.8	Very low	53.2	Low	162 Å²	162	98 Å²	98	61%	0.611	60%	0.602	S	S	*	*			trans	-100.7	81.1	169.7	-72.3	171.8	168.5	168.6	-9.9	110.3	A570 D571	A570-R574 PolarHBondContact O-N 3.31Å; D571-R574 PolarHBondContact O-N 3.31Å; D571-R574 VanDerWaalsContact O-N 3.12Å; D571-R574 WeakPolarHBondContact OD1-CD 3.5Å; D571-R574 IonicContact OD1-CZ 2.67Å; D571-R574 IonicContact OD1-NE 3.48Å; D571-R574 IonicContact OD1-NH1 2.72Å; D571-R574 PolarHBondContact OD1-NH1 3.27Å
575	P	37.1	Very low	50.2	Low	109 Å²	109	105.9 Å²	105.9	71%	0.708	64%	0.639	S	S	*	*			trans	-59.4	148.4	167.3	29	-35.1	0	0	0	109.4	L573 S577	L573-P575 VanDerWaalsContact C-CD 3.43Å; L573-P575 WeakPolarHBondContact O-CD 3.03Å; P575-S577 PolarHBondContact O-N 2.79Å
576	L	40.9	Very low	47.4	Very low	171 Å²	171	111 Å²	111	90%	0.895	67%	0.666	S	S	*	*			trans	-56.8	112.8	-178.9	-76.2	76	0	0	0	109.8	G578	L576-G578 PolarHBondContact O-N 2.97Å
577	S	34.9	Very low	44.6	Very low	137 Å²	137	113.7 Å²	113.7	96%	0.958	68%	0.676	S	S	*	*	S	Bend	trans	-73.8	75.1	173.9	-166.1	0	0	0	0	109.4	P575	P575-S577 PolarHBondContact O-N 2.79Å
578	G	35.8	Very low	42	Very low	65 Å²	65	117 Å²	117	67%	0.67	70%	0.704	S	S	*	*			trans	-150.6	20.4	-167.5	0	0	0	0	0	113.8	L576	L576-G578 PolarHBondContact O-N 2.97Å
579	C	29.8	Very low	39.4	Very low	132 Å²	132	121 Å²	121	89%	0.892	73%	0.734	S	S	*	*	S	Bend	trans	-149.6	131.1	168.4	-112.6	0	0	0	0	110.3
580	S	35.4	Very low	37.2	Very low	130 Å²	130	123.6 Å²	123.6	91%	0.909	75%	0.752	S	S	*	*			trans	-84.9	124.6	-177	53.2	0	0	0	0	112.5
581	G	28.4	Very low	35.5	Very low	65 Å²	65	128.7 Å²	128.7	67%	0.67	77%	0.772	S	S	*	*			trans	-145.8	150.9	170.7	0	0	0	0	0	110.9
582	P	33.9	Very low	34.3	Very low	128 Å²	128	133.6 Å²	133.6	83%	0.831	80%	0.797	S	S	*	*			trans	-76.2	152.2	-165.6	29.4	-35.4	0	0	0	114.4
583	R	35.1	Very low	33.3	Very low	243 Å²	243	138.1 Å²	138.1	92%	0.917	80%	0.803	S	S	*	*			trans	-53.5	135.5	174.2	-74.4	174.3	165.4	171.4	-5.9	112.2
584	V	32.2	Very low	32.6	Very low	140 Å²	140	135.1 Å²	135.1	85%	0.848	80%	0.799	S	S	*	*			trans	-112.4	130.8	153.5	178.9	0	0	0	0	107.4
585	Q	28.6	Very low	32	Very low	175 Å²	175	136.3 Å²	136.3	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.3	129.6	177.3	-73.5	170.7	-92.4	0	0	110.4
586	L	30.1	Very low	31.7	Very low	172 Å²	172	136.6 Å²	136.6	90%	0.901	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-86	120	165.2	-82.2	159.8	0	0	0	109.2
587	V	30.3	Very low	31.3	Very low	117 Å²	117	136.7 Å²	136.7	71%	0.709	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-99.6	127.3	164.6	177	0	0	0	0	107.2	S589	V587-S589 PolarHBondContact O-N 3.49Å
588	P	33.3	Very low	31.1	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-81.1	119.4	179.4	31.1	-32.3	0	0	0	111
589	S	28.3	Very low	31	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	80%	0.802	S	S	*	*			trans	-111.4	124.5	167	-68	0	0	0	0	109.6	V587	V587-S589 PolarHBondContact O-N 3.49Å
590	A	29.6	Very low	31.4	Very low	90 Å²	90	141.8 Å²	141.8	74%	0.744	83%	0.829	S	S	*	*			trans	-95.8	-178.2	172.5	0	0	0	0	0	111.3
591	L	29.9	Very low	31.2	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	83%	0.825	S	S	*	*			trans	87.1	129	166.2	-64.9	165	0	0	0	119.4
592	L	31.2	Very low	31.4	Very low	137 Å²	137	146.4 Å²	146.4	72%	0.717	83%	0.833	S	S	*	*			trans	69.2	95.1	143.7	-64.2	165.8	0	0	0	119.9
593	E	30.2	Very low	31.2	Very low	183 Å²	183	147.4 Å²	147.4	86%	0.855	83%	0.834	S	S	*	*				47	156.6	96.7	-138.4	170	-155.4	0	0	121.1
594	A	29.1	Very low	31	Very low	84 Å²	84	141.8 Å²	141.8	69%	0.694	83%	0.829	S	S	*	*			trans	80.1	78.6	165.4	0	0	0	0	0	120.8
595	Q	28.9	Very low	30.9	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.874	83%	0.827	S	S	*	*				69.6	165.4	114.1	-153.1	176.9	16.2	0	0	121.3
596	V	30.5	Very low	31.1	Very low	116 Å²	116	139.7 Å²	139.7	70%	0.703	83%	0.828	S	S	*	*			trans	89.9	85.6	161.9	-165.3	0	0	0	0	118.9
597	H	31.4	Very low	31.1	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.796	82%	0.823	S	S	*	*				58.7	140.6	123.9	-89.9	-89.8	0	0	0	125.2
598	C	30.8	Very low	31.2	Very low	96 Å²	96	139 Å²	139	65%	0.649	83%	0.832	S	S	*	*			trans	80.1	104.9	142.6	-71	0	0	0	0	121.7
599	L	33.8	Very low	31	Very low	169 Å²	169	140.3 Å²	140.3	89%	0.885	83%	0.834	S	S	*	*				44.9	116.6	116.3	-68.1	168	0	0	0	119.9
600	A	38.5	Very low	31.3	Very low	176 Å²	176	142.5 Å²	142.5	100%	1.455	84%	0.836	S	S	*	*			trans	-132.8	0	130.7	0	0	0	0	0	108.2

Retrieved 600 of 600 residues in 426.4 ms (Link to these results)

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