A0A087X4P7_POEFO Loading...

Rhophilin, Rho GTPase binding protein 2

AlphaFold DB , UniProt , Accession A0A087X4P7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 687 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	24.6	Very low	28	Very low	230 Å²	230	149.8 Å²	149.8	100%	1.133	84%	0.839	S	S	*	*				0	100.5	0	-80.1	-168.6	-106	0	0	110.3
2	T	28.1	Very low	28.9	Very low	119 Å²	119	150.6 Å²	150.6	73%	0.73	84%	0.84	S	S	*	*			trans	-97.3	98.7	169.4	37.5	0	0	0	0	107.9	T4	T2-T4 PolarHBondContact O-N 2.74Å; T2-T4 VanDerWaalsContact O-N 3.09Å
3	D	27.6	Very low	28.6	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	84%	0.835	S	S	*	*			trans	-83.9	84.6	177.6	-65.5	-23.2	0	0	0	109.8
4	T	27.2	Very low	29	Very low	132 Å²	132	142.6 Å²	142.6	81%	0.81	83%	0.834	S	S	*	*			trans	-78.8	112.2	154.4	30.6	0	0	0	0	108	T2 L6	T2-T4 PolarHBondContact O-N 2.74Å; T2-T4 VanDerWaalsContact O-N 3.09Å; T4-L6 PolarHBondContact O-N 3.21Å
5	L	29.1	Very low	28.8	Very low	159 Å²	159	137.5 Å²	137.5	83%	0.832	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.5	122.3	169.8	-72.5	166.8	0	0	0	109.3
6	L	26.1	Very low	29.5	Very low	158 Å²	158	140.8 Å²	140.8	83%	0.827	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-68.1	134.1	156.4	-73.9	164.3	0	0	0	108.1	T4 N8	T4-L6 PolarHBondContact O-N 3.21Å; L6-N8 PolarHBondContact O-N 3.05Å
7	P	29.6	Very low	29.7	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.1	130.4	177.4	26.3	-27.5	0	0	0	110.2	G9	P7-G9 PolarHBondContact O-N 3.35Å; P7-G9 VanDerWaalsContact O-N 3.13Å
8	N	28.6	Very low	30.6	Very low	165 Å²	165	135.4 Å²	135.4	88%	0.882	81%	0.805	S	S	*	*			trans	-62.4	111.4	168.6	-83.2	-21.7	0	0	0	109.6	L6	L6-N8 PolarHBondContact O-N 3.05Å
9	G	32.8	Very low	31.2	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	81%	0.807	S	S	*	*	S	Bend	trans	46.4	75.8	148.3	0	0	0	0	0	117.2	P7	P7-G9 PolarHBondContact O-N 3.35Å; P7-G9 VanDerWaalsContact O-N 3.13Å
10	I	27.6	Very low	32	Very low	161 Å²	161	133.3 Å²	133.3	83%	0.826	78%	0.777	S	S	*	*			trans	-137.2	122.4	144.3	-60.6	-177.3	0	0	0	105.4	D12	I10-D12 PolarHBondContact O-N 2.85Å
11	E	26.4	Very low	33.1	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	77%	0.771	S	S	*	*			trans	-57.5	133.2	179.3	-71.2	-178.2	154.6	0	0	110.9	S13	E11-S13 PolarHBondContact O-N 2.81Å
12	D	38.3	Very low	34.5	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	76%	0.757	S	S	*	*			trans	-70.5	89.4	177.9	-165.4	12.2	0	0	0	109.4	I10	I10-D12 PolarHBondContact O-N 2.85Å
13	S	26	Very low	35.9	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	73%	0.732	S	S	*	*			trans	-92	105.8	163.2	56.5	0	0	0	0	108.2	E11 G15	E11-S13 PolarHBondContact O-N 2.81Å; S13-G15 PolarHBondContact O-N 2.85Å
14	G	33.2	Very low	37.4	Very low	80 Å²	80	124.3 Å²	124.3	83%	0.825	71%	0.712	S	S	*	*			trans	-40	123	-172.7	0	0	0	0	0	115.3
15	G	27.2	Very low	38.8	Very low	66 Å²	66	122.3 Å²	122.3	68%	0.68	70%	0.696	S	S	*	*			trans	-167.8	105.8	170.6	0	0	0	0	0	108.8	S13 G17	S13-G15 PolarHBondContact O-N 2.85Å; G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 2.68Å
16	D	39.7	Very low	39.9	Very low	190 Å²	190	118.5 Å²	118.5	100%	1.016	68%	0.681	S	S	*	*			trans	-64.2	90.7	172.1	-150.9	6	0	0	0	107.9
17	G	33.2	Very low	41.1	Very low	54 Å²	54	117.2 Å²	117.2	56%	0.557	68%	0.675	S	S	*	*			trans	-140.8	99.9	-163.4	0	0	0	0	0	113.1	G15 H19	G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 2.68Å; G17-H19 PolarHBondContact O-N 3.12Å
18	K	45.9	Very low	42.4	Very low	131 Å²	131	113.5 Å²	113.5	57%	0.57	65%	0.653	S	S	*	*			trans	22.7	93.2	156.5	-74.6	179.8	167.7	179	0	116.5	E145	K18-E145 IonicContact NZ-OE2 3.76Å; K18-E145 PolarHBondContact NZ-OE2 2.88Å
19	H	40.5	Very low	43.8	Very low	181 Å²	181	112.3 Å²	112.3	84%	0.838	64%	0.643	S	S	*	*			trans	-149.8	117.4	143.7	-72.1	-35.4	0	0	0	108.9	G17	G17-H19 PolarHBondContact O-N 3.12Å
20	F	48.9	Very low	45.4	Very low	46 Å²	46	112.4 Å²	112.4	20%	0.202	63%	0.628	C	S	.	*			trans	-55.7	142.1	173.2	-65.4	-91.8	0	0	0	109.8	K22 D149 L153 F494	F20-K22 PolarHBondContact O-N 2.93Å; F20-D149 HydrophobicContact CD2-CB 4.48Å; F20-D149 HydrophobicContact CE2-CB 3.48Å; F20-D149 VanDerWaalsContact CE2-CB 3.48Å; F20-D149 WeakPolarHBondContact CE2-OD1 3.32Å; F20-D149 HydrophobicContact CZ-CB 3.75Å; F20-L153 HydrophobicContact CD1-CD1 4.45Å; F20-F494 AromaticContact CE1-CE1 3.89Å; F20-F494 HydrophobicContact CE1-CE1 3.89Å; F20-F494 AromaticContact CE1-CZ 3.64Å; F20-F494 HydrophobicContact CE1-CZ 3.64Å; F20-F494 AromaticContact CZ-CE1 3.51Å; F20-F494 HydrophobicContact CZ-CE1 3.51Å; F20-F494 AromaticContact CZ-CZ 3.64Å; F20-F494 HydrophobicContact CZ-CZ 3.64Å
21	R	53.7	Low	47.3	Very low	175 Å²	175	106.6 Å²	106.6	66%	0.66	61%	0.608	S	S	*	*			trans	-52.6	112	172.2	-78.7	-175.6	-177.9	167	0.4	108.3	G23 E168	R21-G23 PolarHBondContact O-N 3.09Å; R21-E168 IonicContact NH1-OE2 3.77Å; R21-E168 PolarHBondContact NH1-OE2 3.39Å
22	K	55.6	Low	49.4	Very low	193 Å²	193	100.8 Å²	100.8	84%	0.839	58%	0.578	S	S	*	*			trans	-59.6	133.5	175.5	-69.5	178.6	178.7	175.7	0	107.9	F20	F20-K22 PolarHBondContact O-N 2.93Å
23	G	56.3	Low	50.9	Low	19 Å²	19	93.8 Å²	93.8	20%	0.196	54%	0.542	C	S	.	.			trans	-55.8	175.1	168.2	0	0	0	0	0	111.1	R21 N25	R21-G23 PolarHBondContact O-N 3.09Å; G23-N25 PolarHBondContact O-N 2.99Å
24	C	58.7	Low	53.2	Low	53 Å²	53	93.4 Å²	93.4	36%	0.358	53%	0.526	S	S	.	.	S	Bend	trans	-57.2	140.2	174.9	-79.4	0	0	0	0	110.5	P26 T159 S161	C24-P26 VanDerWaalsContact O-CD 3.29Å; C24-P26 WeakPolarHBondContact O-CD 3.29Å; C24-T159 PolarHBondContact N-O 3.16Å; C24-T159 PolarHBondContact O-OG1 3.41Å; C24-T159 VanDerWaalsContact O-OG1 3.09Å; C24-S161 WeakPolarHBondContact SG-CA 3.5Å
25	N	57.4	Low	55.3	Low	89 Å²	89	90.5 Å²	90.5	48%	0.476	49%	0.492	S	S	.	.			trans	-53.2	115.2	177	179.6	-3.2	0	0	0	109.5	G23 L27 A28	G23-N25 PolarHBondContact O-N 2.99Å; N25-L27 PolarHBondContact O-N 3.21Å; N25-L27 VanDerWaalsContact O-N 3.11Å; N25-L27 WeakPolarHBondContact OD1-CA 3.46Å; N25-L27 VanDerWaalsContact OD1-CB 3.28Å; N25-L27 WeakPolarHBondContact OD1-CB 3.35Å; N25-L27 PolarHBondContact OD1-N 3.1Å; N25-A28 HydrophobicContact CB-CB 4.1Å; N25-A28 WeakPolarHBondContact O-CB 3.43Å; N25-A28 PolarHBondContact O-N 3.01Å
26	P	51.9	Low	57.6	Low	80 Å²	80	89.5 Å²	89.5	52%	0.519	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.7	-179.8	25.2	-33	0	0	0	112.7	C24 K37 T159	C24-P26 VanDerWaalsContact O-CD 3.29Å; C24-P26 WeakPolarHBondContact O-CD 3.29Å; P26-K37 WeakPolarHBondContact O-CE 3.48Å; P26-K37 PolarHBondContact O-NZ 3.45Å; P26-T159 HydrophobicContact CB-CG2 4.34Å
27	L	50.8	Low	59.4	Low	131 Å²	131	85 Å²	85	69%	0.686	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.4	175.7	-56.7	175.7	0	0	0	113.3	N25 Q29	N25-L27 PolarHBondContact O-N 3.21Å; N25-L27 VanDerWaalsContact O-N 3.11Å; N25-L27 WeakPolarHBondContact OD1-CA 3.46Å; N25-L27 VanDerWaalsContact OD1-CB 3.28Å; N25-L27 WeakPolarHBondContact OD1-CB 3.35Å; N25-L27 PolarHBondContact OD1-N 3.1Å; L27-Q29 PolarHBondContact O-N 3.33Å
28	A	57	Low	61.7	Low	40 Å²	40	87.5 Å²	87.5	33%	0.331	44%	0.438	S	S	.	.			trans	-65.2	107.5	176.7	0	0	0	0	0	109.3	N25 T30 S33	N25-A28 HydrophobicContact CB-CB 4.1Å; N25-A28 WeakPolarHBondContact O-CB 3.43Å; N25-A28 PolarHBondContact O-N 3.01Å; A28-T30 PolarHBondContact O-N 3.24Å; A28-S33 WeakPolarHBondContact O-CB 3.21Å; A28-S33 PolarHBondContact O-OG 2.97Å
29	Q	58.1	Low	63.4	Low	140 Å²	140	82.2 Å²	82.2	65%	0.654	42%	0.415	S	S	*	.			trans	-75.3	44.3	-173.9	-63.2	-164	4.8	0	0	114	L27 S33 K34	L27-Q29 PolarHBondContact O-N 3.33Å; Q29-S33 WeakPolarHBondContact CA-OG 3.45Å; Q29-K34 VanDerWaalsContact O-CE 3.29Å; Q29-K34 WeakPolarHBondContact O-CE 2.8Å
30	T	67.7	Low	65.3	Low	78 Å²	78	75.1 Å²	75.1	48%	0.479	39%	0.388	S	S	.	.			trans	-61.8	153.1	171.7	64.3	0	0	0	0	110.5	A28 R32 S33 K34	A28-T30 PolarHBondContact O-N 3.24Å; T30-R32 PolarHBondContact O-N 2.94Å; T30-R32 VanDerWaalsContact O-N 3.14Å; T30-S33 PolarHBondContact N-OG 2.56Å; T30-S33 PolarHBondContact O-N 2.84Å; T30-S33 PolarHBondContact O-OG 3.06Å; T30-S33 WeakPolarHBondContact OG1-CB 3.4Å; T30-S33 PolarHBondContact OG1-N 3.38Å; T30-S33 VanDerWaalsContact OG1-N 3.15Å; T30-S33 PolarHBondContact OG1-OG 3.34Å; T30-K34 PolarHBondContact O-N 2.85Å
31	G	66.2	Low	66.9	Low	40 Å²	40	75.6 Å²	75.6	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-51.2	-39.7	175.8	0	0	0	0	0	112.7	K34 L35	G31-K34 PolarHBondContact O-N 3.44Å; G31-L35 PolarHBondContact O-N 3.42Å
32	R	72.1	Confident	68.5	Low	61 Å²	61	67.7 Å²	67.7	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-63.6	-44.5	176.7	-64.2	173.3	-169.2	135.5	3.7	112.4	T30 K34 L35 Q36 V99 Y100	T30-R32 PolarHBondContact O-N 2.94Å; T30-R32 VanDerWaalsContact O-N 3.14Å; R32-K34 VanDerWaalsContact C-N 3.31Å; R32-K34 PolarHBondContact O-N 3.44Å; R32-L35 PolarHBondContact O-N 2.99Å; R32-Q36 WeakPolarHBondContact O-CB 3.32Å; R32-Q36 PolarHBondContact O-N 3.43Å; R32-V99 HydrophobicContact CB-CG1 4.23Å; R32-V99 HydrophobicContact CG-CG1 3.48Å; R32-V99 VanDerWaalsContact CG-CG1 3.48Å; R32-V99 VanDerWaalsContact CZ-O 3.3Å; R32-V99 VanDerWaalsContact N-CG1 3.29Å; R32-V99 PolarHBondContact NE-O 2.75Å; R32-V99 PolarHBondContact NH2-O 2.85Å; R32-Y100 HydrophobicContact CG-CD1 4.45Å; R32-Y100 HydrophobicContact CG-CE1 4.29Å
33	S	68.5	Low	69.8	Low	12 Å²	12	58.6 Å²	58.6	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-34.4	176.2	75.8	0	0	0	0	112.4	A28 Q29 T30 Q36 K37	A28-S33 WeakPolarHBondContact O-CB 3.21Å; A28-S33 PolarHBondContact O-OG 2.97Å; Q29-S33 WeakPolarHBondContact CA-OG 3.45Å; T30-S33 PolarHBondContact N-OG 2.56Å; T30-S33 PolarHBondContact O-N 2.84Å; T30-S33 PolarHBondContact O-OG 3.06Å; T30-S33 WeakPolarHBondContact OG1-CB 3.4Å; T30-S33 PolarHBondContact OG1-N 3.38Å; T30-S33 VanDerWaalsContact OG1-N 3.15Å; T30-S33 PolarHBondContact OG1-OG 3.34Å; S33-Q36 PolarHBondContact O-N 3.04Å; S33-K37 WeakPolarHBondContact O-CB 3.22Å; S33-K37 VanDerWaalsContact O-CG 3.3Å; S33-K37 WeakPolarHBondContact O-CG 3.38Å; S33-K37 PolarHBondContact O-N 3.3Å
34	K	75.4	Confident	71	Confident	102 Å²	102	63.9 Å²	63.9	44%	0.443	35%	0.347	S	S	.	.	H	α-helix	trans	-67.7	-46.4	177.2	-70.6	-179.1	-178.9	178.5	0	110.2	Q29 T30 G31 R32 Q36 K37 Q38	Q29-K34 VanDerWaalsContact O-CE 3.29Å; Q29-K34 WeakPolarHBondContact O-CE 2.8Å; T30-K34 PolarHBondContact O-N 2.85Å; G31-K34 PolarHBondContact O-N 3.44Å; R32-K34 VanDerWaalsContact C-N 3.31Å; R32-K34 PolarHBondContact O-N 3.44Å; K34-Q36 VanDerWaalsContact C-N 3.34Å; K34-Q36 PolarHBondContact O-N 2.89Å; K34-K37 PolarHBondContact O-N 3.38Å; K34-Q38 WeakPolarHBondContact O-CB 3.46Å; K34-Q38 WeakPolarHBondContact O-CG 3.49Å; K34-Q38 PolarHBondContact O-N 3.47Å
35	L	76.8	Confident	72.3	Confident	20 Å²	20	65.7 Å²	65.7	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-57.4	-46.4	173	-76.2	179.8	0	0	0	111.6	G31 R32 K37 Q38 R39 L93 V99 Y100	G31-L35 PolarHBondContact O-N 3.42Å; R32-L35 PolarHBondContact O-N 2.99Å; L35-K37 PolarHBondContact O-N 3.45Å; L35-Q38 PolarHBondContact O-N 3.38Å; L35-R39 VanDerWaalsContact O-CB 3.26Å; L35-R39 WeakPolarHBondContact O-CB 3.47Å; L35-R39 PolarHBondContact O-N 2.83Å; L35-L93 HydrophobicContact CD2-CD2 3.68Å; L35-V99 HydrophobicContact CD1-CB 3.71Å; L35-V99 HydrophobicContact CD1-CG1 3.81Å; L35-V99 HydrophobicContact CD1-CG2 3.7Å; L35-V99 HydrophobicContact CG-CG2 4.45Å; L35-Y100 HydrophobicContact CD1-CE2 4.49Å
36	Q	74.5	Confident	73.5	Confident	44 Å²	44	61.5 Å²	61.5	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-42.5	177.5	-168.9	177.4	4.6	0	0	112	R32 S33 K34 R39 A40 R158	R32-Q36 WeakPolarHBondContact O-CB 3.32Å; R32-Q36 PolarHBondContact O-N 3.43Å; S33-Q36 PolarHBondContact O-N 3.04Å; K34-Q36 VanDerWaalsContact C-N 3.34Å; K34-Q36 PolarHBondContact O-N 2.89Å; Q36-R39 PolarHBondContact O-N 3.4Å; Q36-A40 WeakPolarHBondContact O-CB 3.47Å; Q36-A40 PolarHBondContact O-N 2.89Å; Q36-R158 PolarHBondContact NE2-O 3.37Å
37	K	77.9	Confident	74.9	Confident	97 Å²	97	58.3 Å²	58.3	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176.2	-76.5	174.1	-177.4	175.2	0	112.5	P26 S33 K34 L35 R39 A40 S41	P26-K37 WeakPolarHBondContact O-CE 3.48Å; P26-K37 PolarHBondContact O-NZ 3.45Å; S33-K37 WeakPolarHBondContact O-CB 3.22Å; S33-K37 VanDerWaalsContact O-CG 3.3Å; S33-K37 WeakPolarHBondContact O-CG 3.38Å; S33-K37 PolarHBondContact O-N 3.3Å; K34-K37 PolarHBondContact O-N 3.38Å; L35-K37 PolarHBondContact O-N 3.45Å; K37-R39 VanDerWaalsContact C-N 3.35Å; K37-A40 PolarHBondContact O-N 3.41Å; K37-S41 PolarHBondContact O-N 3.14Å
38	Q	82.1	Confident	76.6	Confident	105 Å²	105	58.7 Å²	58.7	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-45.1	176.4	-74.8	174.3	-14.7	0	0	110.8	K34 L35 S41 L42 L93	K34-Q38 WeakPolarHBondContact O-CB 3.46Å; K34-Q38 WeakPolarHBondContact O-CG 3.49Å; K34-Q38 PolarHBondContact O-N 3.47Å; L35-Q38 PolarHBondContact O-N 3.38Å; Q38-S41 PolarHBondContact O-N 2.96Å; Q38-L42 WeakPolarHBondContact O-CB 3.42Å; Q38-L42 PolarHBondContact O-N 2.96Å; Q38-L93 HydrophobicContact CB-CD1 4.02Å; Q38-L93 HydrophobicContact CB-CD2 4.39Å
39	R	82.2	Confident	77.9	Confident	20 Å²	20	58.1 Å²	58.1	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-49	175.2	-173.8	-179.5	-169	148.5	32.5	112	L35 Q36 K37 S41 L42 N43 L90 L93 N94 S200	L35-R39 VanDerWaalsContact O-CB 3.26Å; L35-R39 WeakPolarHBondContact O-CB 3.47Å; L35-R39 PolarHBondContact O-N 2.83Å; Q36-R39 PolarHBondContact O-N 3.4Å; K37-R39 VanDerWaalsContact C-N 3.35Å; R39-S41 VanDerWaalsContact C-N 3.35Å; R39-S41 PolarHBondContact O-N 2.97Å; R39-L42 PolarHBondContact O-N 3.08Å; R39-N43 WeakPolarHBondContact O-CB 3.1Å; R39-N43 VanDerWaalsContact O-CG 3.22Å; R39-N43 PolarHBondContact O-N 3.13Å; R39-N43 PolarHBondContact O-ND2 2.97Å; R39-L90 HydrophobicContact CG-CD1 3.88Å; R39-L93 HydrophobicContact CB-CD1 4.35Å; R39-N94 PolarHBondContact NH2-OD1 3.47Å; R39-N94 VanDerWaalsContact NH2-OD1 3.1Å; R39-S200 PolarHBondContact NH1-O 3.38Å; R39-S200 PolarHBondContact NH2-O 3.15Å
40	A	78.8	Confident	79.1	Confident	33 Å²	33	53.3 Å²	53.3	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-43.7	177.5	0	0	0	0	0	112.2	Q36 K37 L42 N43 Q44 E118	Q36-A40 WeakPolarHBondContact O-CB 3.47Å; Q36-A40 PolarHBondContact O-N 2.89Å; K37-A40 PolarHBondContact O-N 3.41Å; A40-L42 VanDerWaalsContact C-N 3.35Å; A40-N43 PolarHBondContact O-N 3.09Å; A40-Q44 WeakPolarHBondContact O-CG 3.45Å; A40-Q44 PolarHBondContact O-N 3.44Å; A40-Q44 VanDerWaalsContact O-N 3.1Å; A40-E118 WeakPolarHBondContact CA-OE2 3.38Å
41	S	84.3	Confident	79.8	Confident	55 Å²	55	53.2 Å²	53.2	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-43.1	175.4	-178.1	0	0	0	0	111.8	K37 Q38 R39 Q44 Q45	K37-S41 PolarHBondContact O-N 3.14Å; Q38-S41 PolarHBondContact O-N 2.96Å; R39-S41 VanDerWaalsContact C-N 3.35Å; R39-S41 PolarHBondContact O-N 2.97Å; S41-Q44 WeakPolarHBondContact O-CB 3.37Å; S41-Q44 PolarHBondContact O-N 3.2Å; S41-Q45 WeakPolarHBondContact O-CG 3.25Å; S41-Q45 PolarHBondContact O-N 3.07Å; S41-Q45 VanDerWaalsContact O-N 3.14Å
42	L	85.4	Confident	80.8	Confident	9 Å²	9	55 Å²	55	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-42.3	179.6	-169.9	63.1	0	0	0	111.8	Q38 R39 A40 Q44 Q45 I46 L86 Q89 L90 L93	Q38-L42 WeakPolarHBondContact O-CB 3.42Å; Q38-L42 PolarHBondContact O-N 2.96Å; R39-L42 PolarHBondContact O-N 3.08Å; A40-L42 VanDerWaalsContact C-N 3.35Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 2.84Å; L42-Q45 WeakPolarHBondContact O-CB 3.45Å; L42-Q45 PolarHBondContact O-N 2.7Å; L42-I46 HydrophobicContact CG-CD1 4.24Å; L42-I46 WeakPolarHBondContact O-CG1 3.33Å; L42-I46 PolarHBondContact O-N 3.02Å; L42-L86 HydrophobicContact CD1-CB 4.08Å; L42-L86 HydrophobicContact CD1-CD2 3.54Å; L42-L86 HydrophobicContact CD1-CG 4.4Å; L42-Q89 HydrophobicContact CD1-CB 4.11Å; L42-Q89 HydrophobicContact CD2-CB 3.81Å; L42-L90 HydrophobicContact CD2-CB 3.54Å; L42-L90 HydrophobicContact CD2-CD1 4.11Å; L42-L90 HydrophobicContact CD2-CG 4.42Å; L42-L90 HydrophobicContact CG-CB 4.46Å; L42-L93 HydrophobicContact CD2-CD1 4.11Å
43	N	82.9	Confident	81.5	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.011	25%	0.254	C	S	.	.	H	α-helix	trans	-56	-42.6	173	-73.9	-18.5	0	0	0	111.2	R39 A40 Q45 I46 I47 E118 Y198 G203	R39-N43 WeakPolarHBondContact O-CB 3.1Å; R39-N43 VanDerWaalsContact O-CG 3.22Å; R39-N43 PolarHBondContact O-N 3.13Å; R39-N43 PolarHBondContact O-ND2 2.97Å; A40-N43 PolarHBondContact O-N 3.09Å; N43-Q45 VanDerWaalsContact C-N 3.35Å; N43-Q45 PolarHBondContact O-N 3.01Å; N43-I46 PolarHBondContact O-N 3.42Å; N43-I47 WeakPolarHBondContact O-CD1 3.29Å; N43-I47 WeakPolarHBondContact O-CG1 3.27Å; N43-I47 PolarHBondContact O-N 3.27Å; N43-E118 PolarHBondContact ND2-OE2 3.08Å; N43-Y198 HydrophobicContact CB-CD1 4.15Å; N43-Y198 HydrophobicContact CB-CE1 4.28Å; N43-G203 WeakPolarHBondContact OD1-CA 3.31Å
44	Q	82.5	Confident	82.2	Confident	130 Å²	130	53.2 Å²	53.2	61%	0.607	25%	0.254	S	S	*	.	H	α-helix	trans	-62.1	-40.7	175.4	-70.6	176.1	-5.6	0	0	112.6	A40 S41 L42 I47 K48	A40-Q44 WeakPolarHBondContact O-CG 3.45Å; A40-Q44 PolarHBondContact O-N 3.44Å; A40-Q44 VanDerWaalsContact O-N 3.1Å; S41-Q44 WeakPolarHBondContact O-CB 3.37Å; S41-Q44 PolarHBondContact O-N 3.2Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 2.84Å; Q44-I47 PolarHBondContact O-N 2.99Å; Q44-K48 PolarHBondContact O-N 3.32Å
45	Q	86.6	Confident	82.7	Confident	91 Å²	91	50.4 Å²	50.4	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-43.1	177.1	-66.7	-179.9	57	0	0	111.9	S41 L42 N43 I47 K48 Q49 L86	S41-Q45 WeakPolarHBondContact O-CG 3.25Å; S41-Q45 PolarHBondContact O-N 3.07Å; S41-Q45 VanDerWaalsContact O-N 3.14Å; L42-Q45 WeakPolarHBondContact O-CB 3.45Å; L42-Q45 PolarHBondContact O-N 2.7Å; N43-Q45 VanDerWaalsContact C-N 3.35Å; N43-Q45 PolarHBondContact O-N 3.01Å; Q45-I47 VanDerWaalsContact C-N 3.31Å; Q45-I47 PolarHBondContact O-N 3.29Å; Q45-K48 WeakPolarHBondContact O-CB 3.49Å; Q45-K48 PolarHBondContact O-N 3.06Å; Q45-K48 VanDerWaalsContact O-N 3.15Å; Q45-Q49 WeakPolarHBondContact O-CG 3.25Å; Q45-Q49 PolarHBondContact O-N 3.33Å; Q45-L86 HydrophobicContact CB-CD1 3.96Å; Q45-L86 HydrophobicContact CB-CD2 3.98Å
46	I	82.6	Confident	83.2	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-46.6	174.9	-69.1	168.9	0	0	0	109.8	L42 N43 K48 Q49 M50 L83 L86 L90	L42-I46 HydrophobicContact CG-CD1 4.24Å; L42-I46 WeakPolarHBondContact O-CG1 3.33Å; L42-I46 PolarHBondContact O-N 3.02Å; N43-I46 PolarHBondContact O-N 3.42Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 2.69Å; I46-Q49 PolarHBondContact O-N 3.41Å; I46-M50 HydrophobicContact CG2-CG 4.24Å; I46-M50 HydrophobicContact CG2-SD 4.05Å; I46-M50 WeakPolarHBondContact O-CG 3.44Å; I46-M50 PolarHBondContact O-N 3.5Å; I46-L83 HydrophobicContact CG2-CD2 4.22Å; I46-L86 HydrophobicContact CD1-CB 4.37Å; I46-L86 HydrophobicContact CG1-CB 3.67Å; I46-L86 HydrophobicContact CG1-CD1 4.24Å; I46-L90 HydrophobicContact CD1-CB 4.46Å; I46-L90 HydrophobicContact CD1-CD2 4.01Å
47	I	81.1	Confident	83.8	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-47.1	176.1	-67	163.5	0	0	0	111.4	N43 Q44 Q45 Q49 M50 R51 Y198 P205	N43-I47 WeakPolarHBondContact O-CD1 3.29Å; N43-I47 WeakPolarHBondContact O-CG1 3.27Å; N43-I47 PolarHBondContact O-N 3.27Å; Q44-I47 PolarHBondContact O-N 2.99Å; Q45-I47 VanDerWaalsContact C-N 3.31Å; Q45-I47 PolarHBondContact O-N 3.29Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 2.91Å; I47-M50 PolarHBondContact O-N 2.93Å; I47-R51 HydrophobicContact CG2-CG 4.39Å; I47-R51 WeakPolarHBondContact O-CG 3.25Å; I47-R51 PolarHBondContact O-N 2.91Å; I47-Y198 HydrophobicContact CD1-CE1 3.43Å; I47-Y198 VanDerWaalsContact CD1-CE1 3.43Å; I47-Y198 WeakPolarHBondContact CD1-OH 3.45Å; I47-Y198 HydrophobicContact CG1-CE1 4.3Å; I47-P205 HydrophobicContact CD1-CG 4.31Å; I47-P205 HydrophobicContact CG1-CG 3.96Å
48	K	85.3	Confident	84.3	Confident	138 Å²	138	48.7 Å²	48.7	60%	0.6	25%	0.252	S	S	*	.	H	α-helix	trans	-57.6	-46.7	-179.8	-176.1	-178.1	176.9	-178.3	0	110.5	Q44 Q45 I46 R51 M52	Q44-K48 PolarHBondContact O-N 3.32Å; Q45-K48 WeakPolarHBondContact O-CB 3.49Å; Q45-K48 PolarHBondContact O-N 3.06Å; Q45-K48 VanDerWaalsContact O-N 3.15Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 2.69Å; K48-R51 PolarHBondContact O-N 3.49Å; K48-M52 HydrophobicContact CG-CE 4.41Å; K48-M52 WeakPolarHBondContact O-CG 2.98Å; K48-M52 PolarHBondContact O-N 3.32Å; K48-M52 VanDerWaalsContact O-N 3.08Å
49	Q	85.8	Confident	84.6	Confident	29 Å²	29	48 Å²	48	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-42.2	177.3	-65.6	-63.9	-27.7	0	0	112.3	Q45 I46 I47 R51 M52 R53 V79 N82 L83 L86	Q45-Q49 WeakPolarHBondContact O-CG 3.25Å; Q45-Q49 PolarHBondContact O-N 3.33Å; I46-Q49 PolarHBondContact O-N 3.41Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 2.91Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.4Å; Q49-M52 HydrophobicContact CG-CE 4.26Å; Q49-M52 PolarHBondContact O-N 3Å; Q49-R53 PolarHBondContact O-N 2.79Å; Q49-V79 HydrophobicContact CB-CG1 4.4Å; Q49-V79 VanDerWaalsContact O-CG1 3.26Å; Q49-V79 WeakPolarHBondContact O-CG1 3.48Å; Q49-N82 HydrophobicContact CG-CB 4.3Å; Q49-L83 HydrophobicContact CB-CD1 4.49Å; Q49-L83 HydrophobicContact CB-CD2 3.44Å; Q49-L83 VanDerWaalsContact CB-CD2 3.44Å; Q49-L83 HydrophobicContact CB-CG 3.69Å; Q49-L83 HydrophobicContact CG-CD2 4.47Å; Q49-L86 HydrophobicContact CB-CD1 4.45Å; Q49-L86 HydrophobicContact CG-CD1 3.62Å
50	M	82.1	Confident	84.9	Confident	39 Å²	39	49.5 Å²	49.5	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-37.9	175.4	-72	-174.6	79.8	0	0	112.3	I46 I47 R53 A54 L83 V204 Y614	I46-M50 HydrophobicContact CG2-CG 4.24Å; I46-M50 HydrophobicContact CG2-SD 4.05Å; I46-M50 WeakPolarHBondContact O-CG 3.44Å; I46-M50 PolarHBondContact O-N 3.5Å; I47-M50 PolarHBondContact O-N 2.93Å; M50-R53 PolarHBondContact O-N 2.97Å; M50-A54 WeakPolarHBondContact O-CB 3.45Å; M50-A54 PolarHBondContact O-N 2.82Å; M50-L83 HydrophobicContact CG-CD2 3.86Å; M50-V204 HydrophobicContact CE-CG2 4.42Å; M50-V204 HydrophobicContact SD-CG2 4.3Å; M50-Y614 HydrophobicContact CE-CD1 4.3Å; M50-Y614 HydrophobicContact CE-CE1 3.79Å
51	R	82.8	Confident	85.4	Confident	75 Å²	75	54.9 Å²	54.9	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-46.4	174.6	-74.3	179.4	-175.7	-179.8	-0.2	111.8	I47 K48 Q49 R53 A54 G55 C618 L619	I47-R51 HydrophobicContact CG2-CG 4.39Å; I47-R51 WeakPolarHBondContact O-CG 3.25Å; I47-R51 PolarHBondContact O-N 2.91Å; K48-R51 PolarHBondContact O-N 3.49Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.4Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 2.84Å; R51-A54 PolarHBondContact O-N 3.32Å; R51-G55 PolarHBondContact O-N 2.92Å; R51-C618 PolarHBondContact NH2-O 3.04Å; R51-L619 HydrophobicContact CG-CB 4.31Å; R51-L619 HydrophobicContact CG-CD2 3.63Å; R51-L619 HydrophobicContact CG-CG 4.42Å
52	M	87.1	Confident	85.7	Confident	78 Å²	78	56 Å²	56	38%	0.384	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.3	-69.3	-171.5	-59.5	0	0	111	K48 Q49 A54 G55 A56 V79	K48-M52 HydrophobicContact CG-CE 4.41Å; K48-M52 WeakPolarHBondContact O-CG 2.98Å; K48-M52 PolarHBondContact O-N 3.32Å; K48-M52 VanDerWaalsContact O-N 3.08Å; Q49-M52 HydrophobicContact CG-CE 4.26Å; Q49-M52 PolarHBondContact O-N 3Å; M52-A54 PolarHBondContact O-N 3.48Å; M52-G55 PolarHBondContact O-N 3.06Å; M52-A56 WeakPolarHBondContact O-CB 3.46Å; M52-A56 PolarHBondContact O-N 3.33Å; M52-V79 HydrophobicContact CB-CG1 4.48Å; M52-V79 HydrophobicContact CB-CG2 4.16Å
53	R	86.8	Confident	85.9	Confident	26 Å²	26	56.6 Å²	56.6	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-51.2	174.5	-170.8	178.2	168.2	-111.6	-19.4	111.6	Q49 M50 R51 G55 A56 E57 L76 V79 N80 F639	Q49-R53 PolarHBondContact O-N 2.79Å; M50-R53 PolarHBondContact O-N 2.97Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 2.84Å; R53-G55 VanDerWaalsContact C-N 3.33Å; R53-G55 PolarHBondContact O-N 3.46Å; R53-A56 PolarHBondContact O-N 2.74Å; R53-E57 IonicContact CZ-OE1 2.56Å; R53-E57 VanDerWaalsContact CZ-OE1 3.22Å; R53-E57 IonicContact NE-OE1 3.05Å; R53-E57 PolarHBondContact NE-OE1 3.46Å; R53-E57 IonicContact NH2-OE1 3.76Å; R53-E57 PolarHBondContact NH2-OE1 3.46Å; R53-E57 WeakPolarHBondContact O-CG 3.49Å; R53-E57 PolarHBondContact O-N 3.37Å; R53-L76 HydrophobicContact CG-CD2 3.94Å; R53-V79 HydrophobicContact CB-CG1 3.65Å; R53-V79 HydrophobicContact CG-CG1 4.41Å; R53-N80 VanDerWaalsContact CD-OD1 3.28Å; R53-N80 WeakPolarHBondContact CD-OD1 3.28Å; R53-N80 PolarHBondContact NE-OD1 2.95Å; R53-F639 PolarHBondContact NH1-O 3.37Å; R53-F639 PolarHBondContact NH2-O 3.1Å
54	A	83.8	Confident	86.3	Confident	10 Å²	10	63.5 Å²	63.5	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-40.2	-179.9	0	0	0	0	0	112.2	M50 R51 M52 N58 F639	M50-A54 WeakPolarHBondContact O-CB 3.45Å; M50-A54 PolarHBondContact O-N 2.82Å; R51-A54 PolarHBondContact O-N 3.32Å; M52-A54 PolarHBondContact O-N 3.48Å; A54-N58 WeakPolarHBondContact O-CB 3.43Å; A54-N58 PolarHBondContact O-N 2.92Å; A54-N58 PolarHBondContact O-ND2 3.49Å; A54-N58 VanDerWaalsContact O-ND2 3.1Å; A54-F639 HydrophobicContact CB-CE1 4.18Å
55	G	86.4	Confident	86.9	Confident	42 Å²	42	61.3 Å²	61.3	43%	0.433	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-47.6	174.1	0	0	0	0	0	112.2	R51 M52 R53 N58 L59	R51-G55 PolarHBondContact O-N 2.92Å; M52-G55 PolarHBondContact O-N 3.06Å; R53-G55 VanDerWaalsContact C-N 3.33Å; R53-G55 PolarHBondContact O-N 3.46Å; G55-N58 PolarHBondContact O-N 3.03Å; G55-L59 WeakPolarHBondContact O-CB 3.37Å; G55-L59 PolarHBondContact O-N 3.22Å
56	A	86.8	Confident	87.2	Confident	17 Å²	17	62.4 Å²	62.4	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-44.8	177	0	0	0	0	0	112	M52 R53 N58 L59 L60 V72 L76	M52-A56 WeakPolarHBondContact O-CB 3.46Å; M52-A56 PolarHBondContact O-N 3.33Å; R53-A56 PolarHBondContact O-N 2.74Å; A56-N58 VanDerWaalsContact C-N 3.33Å; A56-N58 PolarHBondContact O-N 3.3Å; A56-L59 PolarHBondContact O-N 3.12Å; A56-L60 WeakPolarHBondContact O-CB 3.49Å; A56-L60 PolarHBondContact O-N 2.9Å; A56-V72 HydrophobicContact CB-CG1 4.12Å; A56-V72 WeakPolarHBondContact O-CG1 3.49Å; A56-L76 HydrophobicContact CB-CD2 3.63Å; A56-L76 HydrophobicContact CB-CG 3.83Å
57	E	86.5	Confident	87.7	Confident	33 Å²	33	70.4 Å²	70.4	15%	0.154	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-39.8	175.3	-73.6	-177.1	176.1	0	0	112.7	R53 L60 K61 L76 F639	R53-E57 IonicContact CZ-OE1 2.56Å; R53-E57 VanDerWaalsContact CZ-OE1 3.22Å; R53-E57 IonicContact NE-OE1 3.05Å; R53-E57 PolarHBondContact NE-OE1 3.46Å; R53-E57 IonicContact NH2-OE1 3.76Å; R53-E57 PolarHBondContact NH2-OE1 3.46Å; R53-E57 WeakPolarHBondContact O-CG 3.49Å; R53-E57 PolarHBondContact O-N 3.37Å; E57-L60 PolarHBondContact O-N 2.93Å; E57-K61 VanDerWaalsContact O-CG 3.27Å; E57-K61 WeakPolarHBondContact O-CG 3.45Å; E57-K61 PolarHBondContact O-N 3.44Å; E57-L76 HydrophobicContact CG-CD1 4.34Å; E57-L76 HydrophobicContact CG-CD2 3.83Å; E57-F639 VanDerWaalsContact OE2-CD1 3.28Å; E57-F639 WeakPolarHBondContact OE2-CD1 3.4Å; E57-F639 WeakPolarHBondContact OE2-CE1 3.25Å
58	N	88.6	Confident	88.1	Confident	76 Å²	76	72.1 Å²	72.1	41%	0.406	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.3	-73.9	-30.4	0	0	0	111.3	A54 G55 A56 K61 A62	A54-N58 WeakPolarHBondContact O-CB 3.43Å; A54-N58 PolarHBondContact O-N 2.92Å; A54-N58 PolarHBondContact O-ND2 3.49Å; A54-N58 VanDerWaalsContact O-ND2 3.1Å; G55-N58 PolarHBondContact O-N 3.03Å; A56-N58 VanDerWaalsContact C-N 3.33Å; A56-N58 PolarHBondContact O-N 3.3Å; N58-K61 PolarHBondContact O-N 3.34Å; N58-A62 VanDerWaalsContact O-CB 3.29Å; N58-A62 WeakPolarHBondContact O-CB 3.2Å; N58-A62 PolarHBondContact O-N 2.79Å
59	L	88.9	Confident	88.4	Confident	89 Å²	89	69 Å²	69	47%	0.466	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-42.1	175.3	-177.5	58.9	0	0	0	111.3	G55 A56 K61 A62 T63 V72	G55-L59 WeakPolarHBondContact O-CB 3.37Å; G55-L59 PolarHBondContact O-N 3.22Å; A56-L59 PolarHBondContact O-N 3.12Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.38Å; L59-A62 PolarHBondContact O-N 3.08Å; L59-A62 VanDerWaalsContact O-N 3.16Å; L59-T63 WeakPolarHBondContact O-CB 3.4Å; L59-T63 WeakPolarHBondContact O-CG2 3.47Å; L59-T63 PolarHBondContact O-N 3.32Å; L59-V72 HydrophobicContact CB-CG2 4.48Å; L59-V72 HydrophobicContact CD2-CG2 3.63Å; L59-V72 HydrophobicContact CG-CG2 3.94Å
60	L	88.7	Confident	88.7	Confident	52 Å²	52	74.3 Å²	74.3	27%	0.272	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-42	175.8	-170.6	65.3	0	0	0	111.9	A56 E57 K69 V72 V73 L76	A56-L60 WeakPolarHBondContact O-CB 3.49Å; A56-L60 PolarHBondContact O-N 2.9Å; E57-L60 PolarHBondContact O-N 2.93Å; L60-K69 HydrophobicContact CD1-CB 4.03Å; L60-K69 HydrophobicContact CD1-CG 4.08Å; L60-V72 HydrophobicContact CB-CG1 3.72Å; L60-V72 HydrophobicContact CD1-CB 4.26Å; L60-V72 HydrophobicContact CD1-CG1 4.09Å; L60-V72 HydrophobicContact CG-CG1 4.41Å; L60-V73 HydrophobicContact CD1-CG2 3.93Å; L60-V73 HydrophobicContact CD2-CG2 4.3Å; L60-L76 HydrophobicContact CD2-CD1 3.95Å
61	K	88.8	Confident	89.2	Confident	147 Å²	147	78.5 Å²	78.5	64%	0.639	41%	0.41	S	S	*	.	H	α-helix	trans	-70.5	-31.6	177.2	-72.1	167.8	-173.6	166.5	0	112.7	E57 N58 L59	E57-K61 VanDerWaalsContact O-CG 3.27Å; E57-K61 WeakPolarHBondContact O-CG 3.45Å; E57-K61 PolarHBondContact O-N 3.44Å; N58-K61 PolarHBondContact O-N 3.34Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.38Å
62	A	90.4	Very high	89.6	Confident	79 Å²	79	75.4 Å²	75.4	65%	0.653	40%	0.4	S	S	*	.	H	α-helix	trans	-89	-25.5	-175.3	0	0	0	0	0	113.8	N58 L59	N58-A62 VanDerWaalsContact O-CB 3.29Å; N58-A62 WeakPolarHBondContact O-CB 3.2Å; N58-A62 PolarHBondContact O-N 2.79Å; L59-A62 PolarHBondContact O-N 3.08Å; L59-A62 VanDerWaalsContact O-N 3.16Å
63	T	90.1	Very high	89.7	Confident	21 Å²	21	75.5 Å²	75.5	13%	0.129	41%	0.405	C	S	.	.			trans	-87.1	140.9	-174.8	-169.3	0	0	0	0	112.9	L59 N65 V68 K69	L59-T63 WeakPolarHBondContact O-CB 3.4Å; L59-T63 WeakPolarHBondContact O-CG2 3.47Å; L59-T63 PolarHBondContact O-N 3.32Å; T63-N65 PolarHBondContact OG1-N 3.23Å; T63-V68 HydrophobicContact CG2-CB 4.44Å; T63-V68 HydrophobicContact CG2-CG1 4.06Å; T63-K69 HydrophobicContact CG2-CG 3.61Å; T63-K69 WeakPolarHBondContact O-CE 3.21Å
64	N	90.9	Very high	89.9	Confident	146 Å²	146	78.6 Å²	78.6	78%	0.781	42%	0.423	S	S	*	.			trans	-106.8	-0.2	171.5	-70.7	-25.3	0	0	0	112.8
65	N	95.1	Very high	90.2	Very high	85 Å²	85	82.5 Å²	82.5	46%	0.455	44%	0.439	S	S	.	.			trans	-87.7	119.3	-179.7	-178.1	-33.8	0	0	0	110.7	T63 K67 V68 K69	T63-N65 PolarHBondContact OG1-N 3.23Å; N65-K67 PolarHBondContact O-N 3.07Å; N65-K67 PolarHBondContact OD1-N 3.3Å; N65-V68 HydrophobicContact CB-CB 4.09Å; N65-V68 HydrophobicContact CB-CG2 3.87Å; N65-V68 PolarHBondContact O-N 3.04Å; N65-V68 PolarHBondContact OD1-N 3.31Å; N65-K69 WeakPolarHBondContact O-CG 3.2Å; N65-K69 PolarHBondContact O-N 3.5Å
66	N	92.3	Very high	90.3	Very high	113 Å²	113	81.4 Å²	81.4	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-61	-39.2	-176.7	-72.5	-10.9	0	0	0	113.7	V68 K69 E70	N66-V68 VanDerWaalsContact C-N 3.31Å; N66-V68 PolarHBondContact O-N 2.92Å; N66-K69 WeakPolarHBondContact O-CB 3.18Å; N66-K69 PolarHBondContact O-N 3.49Å; N66-E70 PolarHBondContact O-N 3.17Å
67	K	93.1	Very high	90.5	Very high	170 Å²	170	83.5 Å²	83.5	74%	0.739	44%	0.437	S	S	*	.	H	α-helix	trans	-63.9	-39.6	176.8	-66.5	-174.5	177.1	-176.3	0	111.5	N65 M71	N65-K67 PolarHBondContact O-N 3.07Å; N65-K67 PolarHBondContact OD1-N 3.3Å; K67-M71 PolarHBondContact O-N 2.86Å; K67-M71 VanDerWaalsContact O-N 3.1Å
68	V	90.9	Very high	90.7	Very high	49 Å²	49	88.4 Å²	88.4	30%	0.297	46%	0.455	S	S	.	.	H	α-helix	trans	-67.6	-39.3	175.5	179.8	0	0	0	0	110.4	T63 N65 N66 M71 V72	T63-V68 HydrophobicContact CG2-CB 4.44Å; T63-V68 HydrophobicContact CG2-CG1 4.06Å; N65-V68 HydrophobicContact CB-CB 4.09Å; N65-V68 HydrophobicContact CB-CG2 3.87Å; N65-V68 PolarHBondContact O-N 3.04Å; N65-V68 PolarHBondContact OD1-N 3.31Å; N66-V68 VanDerWaalsContact C-N 3.31Å; N66-V68 PolarHBondContact O-N 2.92Å; V68-M71 PolarHBondContact O-N 3.45Å; V68-V72 HydrophobicContact CG1-CG2 4.18Å; V68-V72 WeakPolarHBondContact O-CB 3.33Å; V68-V72 WeakPolarHBondContact O-CG2 3.46Å; V68-V72 PolarHBondContact O-N 3.46Å
69	K	90.9	Very high	90.7	Very high	72 Å²	72	85.2 Å²	85.2	31%	0.313	44%	0.438	S	S	.	.	H	α-helix	trans	-60.5	-48	175.2	-70.8	-175.5	177	174.6	0	112	L60 T63 N65 N66 M71 V72 V73	L60-K69 HydrophobicContact CD1-CB 4.03Å; L60-K69 HydrophobicContact CD1-CG 4.08Å; T63-K69 HydrophobicContact CG2-CG 3.61Å; T63-K69 WeakPolarHBondContact O-CE 3.21Å; N65-K69 WeakPolarHBondContact O-CG 3.2Å; N65-K69 PolarHBondContact O-N 3.5Å; N66-K69 WeakPolarHBondContact O-CB 3.18Å; N66-K69 PolarHBondContact O-N 3.49Å; K69-M71 PolarHBondContact O-N 3.48Å; K69-V72 PolarHBondContact O-N 2.93Å; K69-V73 VanDerWaalsContact O-CG2 3.29Å; K69-V73 WeakPolarHBondContact O-CG2 3.28Å; K69-V73 PolarHBondContact O-N 3.12Å
70	E	92.3	Very high	90.6	Very high	142 Å²	142	83.5 Å²	83.5	66%	0.664	43%	0.429	S	S	*	.	H	α-helix	trans	-59.6	-46.4	178.6	-74	171.8	-176.2	0	0	111.6	N66 V72 V73 L74	N66-E70 PolarHBondContact O-N 3.17Å; E70-V72 PolarHBondContact O-N 3.17Å; E70-V73 PolarHBondContact O-N 3.49Å; E70-L74 PolarHBondContact O-N 3.23Å
71	M	91.8	Very high	90.7	Very high	126 Å²	126	84.3 Å²	84.3	62%	0.621	44%	0.44	S	S	*	.	H	α-helix	trans	-60.9	-43.8	176.1	-172.9	179.8	175.2	0	0	112	K67 V68 K69 L74 E75	K67-M71 PolarHBondContact O-N 2.86Å; K67-M71 VanDerWaalsContact O-N 3.1Å; V68-M71 PolarHBondContact O-N 3.45Å; K69-M71 PolarHBondContact O-N 3.48Å; M71-L74 PolarHBondContact O-N 3.15Å; M71-E75 WeakPolarHBondContact O-CG 3.32Å; M71-E75 PolarHBondContact O-N 3.23Å
72	V	91.3	Very high	90.7	Very high	10 Å²	10	80.6 Å²	80.6	6%	0.061	43%	0.427	C	S	.	.	H	α-helix	trans	-67.1	-36.4	178.7	172.9	0	0	0	0	112.1	A56 L59 L60 V68 K69 E70 L74 E75 L76	A56-V72 HydrophobicContact CB-CG1 4.12Å; A56-V72 WeakPolarHBondContact O-CG1 3.49Å; L59-V72 HydrophobicContact CB-CG2 4.48Å; L59-V72 HydrophobicContact CD2-CG2 3.63Å; L59-V72 HydrophobicContact CG-CG2 3.94Å; L60-V72 HydrophobicContact CB-CG1 3.72Å; L60-V72 HydrophobicContact CD1-CB 4.26Å; L60-V72 HydrophobicContact CD1-CG1 4.09Å; L60-V72 HydrophobicContact CG-CG1 4.41Å; V68-V72 HydrophobicContact CG1-CG2 4.18Å; V68-V72 WeakPolarHBondContact O-CB 3.33Å; V68-V72 WeakPolarHBondContact O-CG2 3.46Å; V68-V72 PolarHBondContact O-N 3.46Å; K69-V72 PolarHBondContact O-N 2.93Å; E70-V72 PolarHBondContact O-N 3.17Å; V72-L74 VanDerWaalsContact C-N 3.35Å; V72-E75 PolarHBondContact O-N 3.24Å; V72-L76 HydrophobicContact CG1-CD1 4.22Å; V72-L76 WeakPolarHBondContact O-CB 3.38Å; V72-L76 VanDerWaalsContact O-CG 3.29Å; V72-L76 WeakPolarHBondContact O-CG 3.05Å; V72-L76 PolarHBondContact O-N 2.86Å
73	V	90.6	Very high	90.3	Very high	81 Å²	81	77.2 Å²	77.2	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-40.5	174.8	168.8	0	0	0	0	111	L60 K69 E70 L76 S77	L60-V73 HydrophobicContact CD1-CG2 3.93Å; L60-V73 HydrophobicContact CD2-CG2 4.3Å; K69-V73 VanDerWaalsContact O-CG2 3.29Å; K69-V73 WeakPolarHBondContact O-CG2 3.28Å; K69-V73 PolarHBondContact O-N 3.12Å; E70-V73 PolarHBondContact O-N 3.49Å; V73-L76 PolarHBondContact O-N 3.33Å; V73-S77 PolarHBondContact O-N 3.34Å; V73-S77 VanDerWaalsContact O-N 3.1Å
74	L	90.6	Very high	90	Very high	91 Å²	91	82.3 Å²	82.3	48%	0.476	42%	0.42	S	S	.	.	H	α-helix	trans	-65	-45	174.7	-177.5	64.5	0	0	0	111.6	E70 M71 V72 L76 S77 Y78	E70-L74 PolarHBondContact O-N 3.23Å; M71-L74 PolarHBondContact O-N 3.15Å; V72-L74 VanDerWaalsContact C-N 3.35Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.1Å; L74-S77 PolarHBondContact O-N 3.45Å; L74-S77 VanDerWaalsContact O-N 3.14Å; L74-S77 PolarHBondContact O-OG 3.35Å; L74-Y78 HydrophobicContact CD1-CD2 4.35Å; L74-Y78 HydrophobicContact CD1-CE2 3.78Å; L74-Y78 HydrophobicContact CD2-CE2 4.23Å; L74-Y78 HydrophobicContact CG-CD2 4.12Å; L74-Y78 HydrophobicContact CG-CE2 3.71Å; L74-Y78 VanDerWaalsContact O-CD2 3.24Å; L74-Y78 WeakPolarHBondContact O-CD2 3.49Å; L74-Y78 PolarHBondContact O-N 3.42Å
75	E	89.9	Confident	89.8	Confident	91 Å²	91	80.4 Å²	80.4	43%	0.425	41%	0.409	S	S	.	.	H	α-helix	trans	-61.1	-38.7	174.5	-74	-60.6	153.1	0	0	112.1	M71 V72 S77 Y78 V79	M71-E75 WeakPolarHBondContact O-CG 3.32Å; M71-E75 PolarHBondContact O-N 3.23Å; V72-E75 PolarHBondContact O-N 3.24Å; E75-S77 VanDerWaalsContact C-N 3.3Å; E75-S77 PolarHBondContact O-N 3Å; E75-Y78 PolarHBondContact O-N 2.81Å; E75-V79 VanDerWaalsContact O-CG2 3.31Å; E75-V79 WeakPolarHBondContact O-CG2 3.33Å; E75-V79 PolarHBondContact O-N 3.44Å
76	L	88.9	Confident	89.4	Confident	19 Å²	19	77 Å²	77	10%	0.099	39%	0.391	C	S	.	.	H	α-helix	trans	-61.4	-37.7	174.7	-79.5	169.3	0	0	0	112.4	R53 A56 E57 L60 V72 V73 L74 N80	R53-L76 HydrophobicContact CG-CD2 3.94Å; A56-L76 HydrophobicContact CB-CD2 3.63Å; A56-L76 HydrophobicContact CB-CG 3.83Å; E57-L76 HydrophobicContact CG-CD1 4.34Å; E57-L76 HydrophobicContact CG-CD2 3.83Å; L60-L76 HydrophobicContact CD2-CD1 3.95Å; V72-L76 HydrophobicContact CG1-CD1 4.22Å; V72-L76 WeakPolarHBondContact O-CB 3.38Å; V72-L76 VanDerWaalsContact O-CG 3.29Å; V72-L76 WeakPolarHBondContact O-CG 3.05Å; V72-L76 PolarHBondContact O-N 2.86Å; V73-L76 PolarHBondContact O-N 3.33Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.1Å; L76-N80 WeakPolarHBondContact O-CB 3.37Å; L76-N80 PolarHBondContact O-N 2.82Å; L76-N80 PolarHBondContact O-ND2 3.38Å; L76-N80 VanDerWaalsContact O-ND2 3.09Å
77	S	90.1	Very high	88.8	Confident	61 Å²	61	75.2 Å²	75.2	43%	0.427	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-42.4	177	73	0	0	0	0	111.5	V73 L74 E75 N80 S81	V73-S77 PolarHBondContact O-N 3.34Å; V73-S77 VanDerWaalsContact O-N 3.1Å; L74-S77 PolarHBondContact O-N 3.45Å; L74-S77 VanDerWaalsContact O-N 3.14Å; L74-S77 PolarHBondContact O-OG 3.35Å; E75-S77 VanDerWaalsContact C-N 3.3Å; E75-S77 PolarHBondContact O-N 3Å; S77-N80 PolarHBondContact O-N 2.93Å; S77-S81 WeakPolarHBondContact O-CB 3.29Å; S77-S81 PolarHBondContact O-N 3.49Å
78	Y	91.2	Very high	88.3	Confident	137 Å²	137	68.8 Å²	68.8	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-47.1	174	-76.3	-65	0	0	0	112.5	L74 E75 N80 S81 N82	L74-Y78 HydrophobicContact CD1-CD2 4.35Å; L74-Y78 HydrophobicContact CD1-CE2 3.78Å; L74-Y78 HydrophobicContact CD2-CE2 4.23Å; L74-Y78 HydrophobicContact CG-CD2 4.12Å; L74-Y78 HydrophobicContact CG-CE2 3.71Å; L74-Y78 VanDerWaalsContact O-CD2 3.24Å; L74-Y78 WeakPolarHBondContact O-CD2 3.49Å; L74-Y78 PolarHBondContact O-N 3.42Å; E75-Y78 PolarHBondContact O-N 2.81Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.24Å; Y78-S81 PolarHBondContact O-N 2.93Å; Y78-N82 PolarHBondContact O-N 3.27Å; Y78-N82 PolarHBondContact O-ND2 2.94Å
79	V	88.9	Confident	88	Confident	9 Å²	9	71 Å²	71	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-40	178.8	174.5	0	0	0	0	111.4	Q49 M52 R53 E75 N82 L83	Q49-V79 HydrophobicContact CB-CG1 4.4Å; Q49-V79 VanDerWaalsContact O-CG1 3.26Å; Q49-V79 WeakPolarHBondContact O-CG1 3.48Å; M52-V79 HydrophobicContact CB-CG1 4.48Å; M52-V79 HydrophobicContact CB-CG2 4.16Å; R53-V79 HydrophobicContact CB-CG1 3.65Å; R53-V79 HydrophobicContact CG-CG1 4.41Å; E75-V79 VanDerWaalsContact O-CG2 3.31Å; E75-V79 WeakPolarHBondContact O-CG2 3.33Å; E75-V79 PolarHBondContact O-N 3.44Å; V79-N82 PolarHBondContact O-N 2.97Å; V79-L83 HydrophobicContact CG1-CD1 4.24Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.39Å
80	N	86.3	Confident	87.7	Confident	52 Å²	52	67.8 Å²	67.8	28%	0.278	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-40.9	176.3	-71.6	-26	0	0	0	112.1	R53 L76 S77 Y78 L83 Q84	R53-N80 VanDerWaalsContact CD-OD1 3.28Å; R53-N80 WeakPolarHBondContact CD-OD1 3.28Å; R53-N80 PolarHBondContact NE-OD1 2.95Å; L76-N80 WeakPolarHBondContact O-CB 3.37Å; L76-N80 PolarHBondContact O-N 2.82Å; L76-N80 PolarHBondContact O-ND2 3.38Å; L76-N80 VanDerWaalsContact O-ND2 3.09Å; S77-N80 PolarHBondContact O-N 2.93Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.24Å; N80-L83 PolarHBondContact O-N 2.92Å; N80-Q84 PolarHBondContact O-N 2.96Å
81	S	89.4	Confident	87.2	Confident	70 Å²	70	64.3 Å²	64.3	49%	0.49	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-44.2	175.7	-178.2	0	0	0	0	111.7	S77 Y78 L83 Q84 L85	S77-S81 WeakPolarHBondContact O-CB 3.29Å; S77-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-N 2.93Å; S81-L83 PolarHBondContact O-N 3.27Å; S81-Q84 WeakPolarHBondContact O-CB 3.44Å; S81-Q84 PolarHBondContact O-N 3Å; S81-L85 PolarHBondContact O-N 2.74Å
82	N	89.6	Confident	86.8	Confident	68 Å²	68	59.2 Å²	59.2	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-41.6	174.7	-73.8	-31.2	0	0	0	112.3	Q49 Y78 V79 Q84 L85 L86	Q49-N82 HydrophobicContact CG-CB 4.3Å; Y78-N82 PolarHBondContact O-N 3.27Å; Y78-N82 PolarHBondContact O-ND2 2.94Å; V79-N82 PolarHBondContact O-N 2.97Å; N82-Q84 VanDerWaalsContact C-N 3.34Å; N82-Q84 PolarHBondContact O-N 3.41Å; N82-L85 PolarHBondContact O-N 3.13Å; N82-L86 VanDerWaalsContact O-CG 3.28Å; N82-L86 WeakPolarHBondContact O-CG 3.29Å; N82-L86 PolarHBondContact O-N 3.09Å
83	L	82.9	Confident	86.4	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-44.4	174.7	-79.9	169.5	0	0	0	111.6	I46 Q49 M50 V79 N80 S81 L85 L86 M87	I46-L83 HydrophobicContact CG2-CD2 4.22Å; Q49-L83 HydrophobicContact CB-CD1 4.49Å; Q49-L83 HydrophobicContact CB-CD2 3.44Å; Q49-L83 VanDerWaalsContact CB-CD2 3.44Å; Q49-L83 HydrophobicContact CB-CG 3.69Å; Q49-L83 HydrophobicContact CG-CD2 4.47Å; M50-L83 HydrophobicContact CG-CD2 3.86Å; V79-L83 HydrophobicContact CG1-CD1 4.24Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.39Å; N80-L83 PolarHBondContact O-N 2.92Å; S81-L83 PolarHBondContact O-N 3.27Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.12Å; L83-L86 PolarHBondContact O-N 2.99Å; L83-M87 WeakPolarHBondContact O-CB 3.47Å; L83-M87 VanDerWaalsContact O-CG 3.25Å; L83-M87 WeakPolarHBondContact O-CG 3.48Å; L83-M87 PolarHBondContact O-N 3.29Å
84	Q	82.6	Confident	86	Confident	128 Å²	128	57.9 Å²	57.9	60%	0.598	31%	0.308	S	S	*	.	H	α-helix	trans	-61	-42.3	178.3	-171.8	176.4	-0.7	0	0	111.6	N80 S81 N82 M87 G88 W642	N80-Q84 PolarHBondContact O-N 2.96Å; S81-Q84 WeakPolarHBondContact O-CB 3.44Å; S81-Q84 PolarHBondContact O-N 3Å; N82-Q84 VanDerWaalsContact C-N 3.34Å; N82-Q84 PolarHBondContact O-N 3.41Å; Q84-M87 PolarHBondContact O-N 3.26Å; Q84-G88 PolarHBondContact O-N 3.07Å; Q84-W642 HydrophobicContact CB-CH2 4.45Å
85	L	87.4	Confident	85.6	Confident	107 Å²	107	53.9 Å²	53.9	56%	0.56	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-49.9	175.1	178.5	65.6	0	0	0	111.9	S81 N82 L83 M87 G88 Q89	S81-L85 PolarHBondContact O-N 2.74Å; N82-L85 PolarHBondContact O-N 3.13Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.12Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 PolarHBondContact O-N 2.66Å; L85-G88 PolarHBondContact O-N 2.8Å; L85-Q89 WeakPolarHBondContact O-CG 3.49Å; L85-Q89 PolarHBondContact O-N 2.94Å
86	L	85.9	Confident	85.3	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-37.7	-179.2	-65.5	169	0	0	0	111.8	L42 Q45 I46 Q49 N82 L83 Q89 L90	L42-L86 HydrophobicContact CD1-CB 4.08Å; L42-L86 HydrophobicContact CD1-CD2 3.54Å; L42-L86 HydrophobicContact CD1-CG 4.4Å; Q45-L86 HydrophobicContact CB-CD1 3.96Å; Q45-L86 HydrophobicContact CB-CD2 3.98Å; I46-L86 HydrophobicContact CD1-CB 4.37Å; I46-L86 HydrophobicContact CG1-CB 3.67Å; I46-L86 HydrophobicContact CG1-CD1 4.24Å; Q49-L86 HydrophobicContact CB-CD1 4.45Å; Q49-L86 HydrophobicContact CG-CD1 3.62Å; N82-L86 VanDerWaalsContact O-CG 3.28Å; N82-L86 WeakPolarHBondContact O-CG 3.29Å; N82-L86 PolarHBondContact O-N 3.09Å; L83-L86 PolarHBondContact O-N 2.99Å; L86-Q89 PolarHBondContact O-N 2.83Å; L86-L90 PolarHBondContact O-N 3.13Å
87	M	80.3	Confident	84.9	Confident	76 Å²	76	50.7 Å²	50.7	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-40.7	174.5	-72.9	-180	68.5	0	0	111.6	L83 Q84 L85 Q89 L90 E91	L83-M87 WeakPolarHBondContact O-CB 3.47Å; L83-M87 VanDerWaalsContact O-CG 3.25Å; L83-M87 WeakPolarHBondContact O-CG 3.48Å; L83-M87 PolarHBondContact O-N 3.29Å; Q84-M87 PolarHBondContact O-N 3.26Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 PolarHBondContact O-N 2.66Å; M87-Q89 VanDerWaalsContact C-N 3.33Å; M87-Q89 PolarHBondContact O-N 3.19Å; M87-L90 WeakPolarHBondContact O-CB 3.35Å; M87-L90 PolarHBondContact O-N 3.09Å; M87-L90 VanDerWaalsContact O-N 3.11Å; M87-E91 PolarHBondContact O-N 3.1Å
88	G	81.5	Confident	84.4	Confident	36 Å²	36	52.2 Å²	52.2	37%	0.371	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-37.1	173.6	0	0	0	0	0	113	Q84 L85 L90 E91 G92	Q84-G88 PolarHBondContact O-N 3.07Å; L85-G88 PolarHBondContact O-N 2.8Å; G88-L90 VanDerWaalsContact C-N 3.31Å; G88-L90 PolarHBondContact O-N 2.86Å; G88-E91 WeakPolarHBondContact O-CB 3.27Å; G88-E91 PolarHBondContact O-N 3.34Å; G88-G92 PolarHBondContact O-N 3.01Å
89	Q	85.8	Confident	83.9	Confident	96 Å²	96	47.9 Å²	47.9	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-37.5	171.6	-71.3	177.8	-20	0	0	112	L42 L85 L86 M87 G92 L93	L42-Q89 HydrophobicContact CD1-CB 4.11Å; L42-Q89 HydrophobicContact CD2-CB 3.81Å; L85-Q89 WeakPolarHBondContact O-CG 3.49Å; L85-Q89 PolarHBondContact O-N 2.94Å; L86-Q89 PolarHBondContact O-N 2.83Å; M87-Q89 VanDerWaalsContact C-N 3.33Å; M87-Q89 PolarHBondContact O-N 3.19Å; Q89-G92 PolarHBondContact O-N 2.8Å; Q89-L93 PolarHBondContact O-N 2.85Å; Q89-L93 VanDerWaalsContact O-N 3.11Å
90	L	83.7	Confident	83.6	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-69.2	-40	178.9	-177.5	62.1	0	0	0	110.5	R39 L42 I46 L86 M87 G88 G92 L93 N94 F201 T202	R39-L90 HydrophobicContact CG-CD1 3.88Å; L42-L90 HydrophobicContact CD2-CB 3.54Å; L42-L90 HydrophobicContact CD2-CD1 4.11Å; L42-L90 HydrophobicContact CD2-CG 4.42Å; L42-L90 HydrophobicContact CG-CB 4.46Å; I46-L90 HydrophobicContact CD1-CB 4.46Å; I46-L90 HydrophobicContact CD1-CD2 4.01Å; L86-L90 PolarHBondContact O-N 3.13Å; M87-L90 WeakPolarHBondContact O-CB 3.35Å; M87-L90 PolarHBondContact O-N 3.09Å; M87-L90 VanDerWaalsContact O-N 3.11Å; G88-L90 VanDerWaalsContact C-N 3.31Å; G88-L90 PolarHBondContact O-N 2.86Å; L90-G92 VanDerWaalsContact C-N 3.32Å; L90-G92 PolarHBondContact O-N 2.93Å; L90-L93 PolarHBondContact O-N 3.03Å; L90-N94 VanDerWaalsContact O-CG 3.27Å; L90-N94 PolarHBondContact O-N 3.03Å; L90-N94 PolarHBondContact O-ND2 3.49Å; L90-F201 WeakPolarHBondContact CD2-O 3.43Å; L90-T202 VanDerWaalsContact CD2-C 3.42Å
91	E	82.4	Confident	83.6	Confident	70 Å²	70	47.7 Å²	47.7	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-43.3	172.3	-171	-177.4	174.5	0	0	111.7	M87 G88 L93 N94 S95 P337 L338	M87-E91 PolarHBondContact O-N 3.1Å; G88-E91 WeakPolarHBondContact O-CB 3.27Å; G88-E91 PolarHBondContact O-N 3.34Å; E91-L93 VanDerWaalsContact C-N 3.33Å; E91-L93 PolarHBondContact O-N 2.72Å; E91-N94 CarbonylContact O-C 3.58Å; E91-N94 PolarHBondContact O-N 2.81Å; E91-N94 VanDerWaalsContact O-N 3.17Å; E91-S95 WeakPolarHBondContact O-CB 3.46Å; E91-S95 PolarHBondContact O-N 2.84Å; E91-S95 PolarHBondContact O-OG 2.92Å; E91-P337 HydrophobicContact CG-CB 3.83Å; E91-P337 HydrophobicContact CG-CG 4.45Å; E91-L338 PolarHBondContact OE1-N 3.38Å
92	G	82.4	Confident	83.1	Confident	18 Å²	18	45.2 Å²	45.2	19%	0.186	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-40.5	174.7	0	0	0	0	0	113	G88 Q89 L90 S95 S96	G88-G92 PolarHBondContact O-N 3.01Å; Q89-G92 PolarHBondContact O-N 2.8Å; L90-G92 VanDerWaalsContact C-N 3.32Å; L90-G92 PolarHBondContact O-N 2.93Å; G92-S95 PolarHBondContact O-N 3.01Å; G92-S96 PolarHBondContact O-OG 3.45Å
93	L	82.8	Confident	82.2	Confident	37 Å²	37	47 Å²	47	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-41.1	173.1	-66.1	179.1	0	0	0	112.1	L35 Q38 R39 L42 Q89 L90 E91 S95 S96	L35-L93 HydrophobicContact CD2-CD2 3.68Å; Q38-L93 HydrophobicContact CB-CD1 4.02Å; Q38-L93 HydrophobicContact CB-CD2 4.39Å; R39-L93 HydrophobicContact CB-CD1 4.35Å; L42-L93 HydrophobicContact CD2-CD1 4.11Å; Q89-L93 PolarHBondContact O-N 2.85Å; Q89-L93 VanDerWaalsContact O-N 3.11Å; L90-L93 PolarHBondContact O-N 3.03Å; E91-L93 VanDerWaalsContact C-N 3.33Å; E91-L93 PolarHBondContact O-N 2.72Å; L93-S95 PolarHBondContact O-N 3.15Å; L93-S96 VanDerWaalsContact O-CB 3.3Å; L93-S96 WeakPolarHBondContact O-CB 3.29Å; L93-S96 PolarHBondContact O-N 3.38Å; L93-S96 VanDerWaalsContact O-N 3.14Å; L93-S96 PolarHBondContact O-OG 3.18Å
94	N	83.1	Confident	81.3	Confident	27 Å²	27	53.4 Å²	53.4	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-15.7	176.6	-67.6	-26.8	0	0	0	113.2	R39 L90 E91 F201 P337 W340	R39-N94 PolarHBondContact NH2-OD1 3.47Å; R39-N94 VanDerWaalsContact NH2-OD1 3.1Å; L90-N94 VanDerWaalsContact O-CG 3.27Å; L90-N94 PolarHBondContact O-N 3.03Å; L90-N94 PolarHBondContact O-ND2 3.49Å; E91-N94 CarbonylContact O-C 3.58Å; E91-N94 PolarHBondContact O-N 2.81Å; E91-N94 VanDerWaalsContact O-N 3.17Å; N94-F201 PolarHBondContact ND2-O 3.2Å; N94-P337 HydrophobicContact CB-CG 3.74Å; N94-W340 PolarHBondContact O-NE1 3.36Å; N94-W340 VanDerWaalsContact O-NE1 3.15Å
95	S	83.1	Confident	80.4	Confident	7 Å²	7	48.5 Å²	48.5	5%	0.049	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.7	175.3	-54.8	0	0	0	0	112.9	E91 G92 L93 V97 F339	E91-S95 WeakPolarHBondContact O-CB 3.46Å; E91-S95 PolarHBondContact O-N 2.84Å; E91-S95 PolarHBondContact O-OG 2.92Å; G92-S95 PolarHBondContact O-N 3.01Å; L93-S95 PolarHBondContact O-N 3.15Å; S95-V97 PolarHBondContact O-N 3.12Å; S95-V97 VanDerWaalsContact O-N 3.14Å; S95-F339 WeakPolarHBondContact OG-CB 3.39Å
96	S	82.1	Confident	79.1	Confident	38 Å²	38	48.6 Å²	48.6	27%	0.266	28%	0.282	S	S	.	.			trans	-81.2	90.9	-179	-61	0	0	0	0	111.3	G92 L93 Y100	G92-S96 PolarHBondContact O-OG 3.45Å; L93-S96 VanDerWaalsContact O-CB 3.3Å; L93-S96 WeakPolarHBondContact O-CB 3.29Å; L93-S96 PolarHBondContact O-N 3.38Å; L93-S96 VanDerWaalsContact O-N 3.14Å; L93-S96 PolarHBondContact O-OG 3.18Å; S96-Y100 WeakPolarHBondContact O-CD2 3.47Å; S96-Y100 WeakPolarHBondContact O-CE2 3.46Å
97	V	82.4	Confident	78.3	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.03	30%	0.301	C	S	.	.			trans	-87.8	-29	-179.7	-65.3	0	0	0	0	114.1	S95 V99 Y100 Q101 P110 F339 L435	S95-V97 PolarHBondContact O-N 3.12Å; S95-V97 VanDerWaalsContact O-N 3.14Å; V97-V99 PolarHBondContact O-N 3.47Å; V97-V99 VanDerWaalsContact O-N 3.17Å; V97-Y100 PolarHBondContact O-N 2.99Å; V97-Q101 PolarHBondContact O-N 3.31Å; V97-Q101 PolarHBondContact O-NE2 2.96Å; V97-P110 HydrophobicContact CG2-CB 4.13Å; V97-F339 HydrophobicContact CB-CZ 4.33Å; V97-F339 HydrophobicContact CG1-CD1 4.5Å; V97-F339 HydrophobicContact CG1-CE1 3.45Å; V97-F339 VanDerWaalsContact CG1-CE1 3.45Å; V97-F339 HydrophobicContact CG1-CZ 3.66Å; V97-F339 HydrophobicContact CG2-CE1 4.36Å; V97-F339 HydrophobicContact CG2-CZ 3.68Å; V97-L435 HydrophobicContact CG2-CD1 4.12Å; V97-L435 HydrophobicContact CG2-CD2 3.85Å
98	D	79.1	Confident	78.4	Confident	93 Å²	93	49.6 Å²	49.6	50%	0.497	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-57.7	-36.9	-172.5	-59.2	-40.9	0	0	0	113.1	Y100 Q101 L435	D98-Y100 PolarHBondContact O-N 3.16Å; D98-Y100 VanDerWaalsContact O-N 3.08Å; D98-Q101 PolarHBondContact O-N 2.65Å; D98-L435 WeakPolarHBondContact OD1-CD2 3.34Å
99	V	80.4	Confident	78.8	Confident	45 Å²	45	48.2 Å²	48.2	27%	0.273	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.1	-177.7	-177.8	0	0	0	0	112	R32 L35 V97	R32-V99 HydrophobicContact CB-CG1 4.23Å; R32-V99 HydrophobicContact CG-CG1 3.48Å; R32-V99 VanDerWaalsContact CG-CG1 3.48Å; R32-V99 VanDerWaalsContact CZ-O 3.3Å; R32-V99 VanDerWaalsContact N-CG1 3.29Å; R32-V99 PolarHBondContact NE-O 2.75Å; R32-V99 PolarHBondContact NH2-O 2.85Å; L35-V99 HydrophobicContact CD1-CB 3.71Å; L35-V99 HydrophobicContact CD1-CG1 3.81Å; L35-V99 HydrophobicContact CD1-CG2 3.7Å; L35-V99 HydrophobicContact CG-CG2 4.45Å; V97-V99 PolarHBondContact O-N 3.47Å; V97-V99 VanDerWaalsContact O-N 3.17Å
100	Y	82.8	Confident	79.1	Confident	36 Å²	36	44.1 Å²	44.1	14%	0.141	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-103.5	-15.9	179	-57.7	-74.3	0	0	0	114.2	R32 L35 S96 V97 D98 A113 Q228 T231 R232	R32-Y100 HydrophobicContact CG-CD1 4.45Å; R32-Y100 HydrophobicContact CG-CE1 4.29Å; L35-Y100 HydrophobicContact CD1-CE2 4.49Å; S96-Y100 WeakPolarHBondContact O-CD2 3.47Å; S96-Y100 WeakPolarHBondContact O-CE2 3.46Å; V97-Y100 PolarHBondContact O-N 2.99Å; D98-Y100 PolarHBondContact O-N 3.16Å; D98-Y100 VanDerWaalsContact O-N 3.08Å; Y100-A113 HydrophobicContact CD1-CB 4.21Å; Y100-A113 HydrophobicContact CD2-CB 4.01Å; Y100-A113 HydrophobicContact CG-CB 3.78Å; Y100-Q228 HydrophobicContact CD1-CB 4.42Å; Y100-Q228 HydrophobicContact CD1-CG 3.74Å; Y100-Q228 HydrophobicContact CE1-CG 3.92Å; Y100-T231 CarbonylContact O-C 3.56Å; Y100-T231 PolarHBondContact O-OG1 3.24Å; Y100-R232 WeakPolarHBondContact O-CA 3.49Å; Y100-R232 PolarHBondContact O-N 3.41Å
101	Q	86	Confident	79.6	Confident	22 Å²	22	44 Å²	44	10%	0.103	26%	0.257	C	S	.	.	S	Bend	trans	-70.5	164.9	179.2	-49.2	-50.5	-63.7	0	0	111.1	V97 D98 L111 T231	V97-Q101 PolarHBondContact O-N 3.31Å; V97-Q101 PolarHBondContact O-NE2 2.96Å; D98-Q101 PolarHBondContact O-N 2.65Å; Q101-L111 PolarHBondContact NE2-O 3.31Å; Q101-T231 WeakPolarHBondContact CA-O 3.4Å
102	S	79.7	Confident	80.2	Confident	18 Å²	18	40.8 Å²	40.8	13%	0.126	24%	0.242	C	C	.	.			trans	-66.6	143.6	170.4	-176.6	0	0	0	0	110.6	E104 E105 R232	S102-E104 PolarHBondContact O-N 2.97Å; S102-E104 PolarHBondContact OG-N 3.48Å; S102-E105 VanDerWaalsContact CB-OE2 3.28Å; S102-E105 WeakPolarHBondContact CB-OE2 3.28Å; S102-E105 PolarHBondContact N-OE2 2.79Å; S102-R232 WeakPolarHBondContact CB-O 3.31Å
103	A	69.6	Low	80.7	Confident	105 Å²	105	40.3 Å²	40.3	87%	0.868	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.9	176.1	0	0	0	0	0	112.9
104	E	64.4	Low	81.2	Confident	143 Å²	143	38.6 Å²	38.6	67%	0.668	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-7	-178.2	-67.5	164.2	-168.3	0	0	111.6	S102	S102-E104 PolarHBondContact O-N 2.97Å; S102-E104 PolarHBondContact OG-N 3.48Å
105	E	63.8	Low	81.5	Confident	25 Å²	25	38 Å²	38	12%	0.117	23%	0.228	C	C	.	.			trans	-97.3	108.6	-177.5	-74.8	-179.8	140.3	0	0	112	S102 N108 R235	S102-E105 VanDerWaalsContact CB-OE2 3.28Å; S102-E105 WeakPolarHBondContact CB-OE2 3.28Å; S102-E105 PolarHBondContact N-OE2 2.79Å; E105-N108 PolarHBondContact OE1-ND2 3.27Å; E105-N108 VanDerWaalsContact OE1-ND2 3.09Å; E105-R235 WeakPolarHBondContact OE1-CA 3.21Å; E105-R235 WeakPolarHBondContact OE1-CB 3.49Å; E105-R235 VanDerWaalsContact OE1-CG 3.31Å; E105-R235 WeakPolarHBondContact OE1-CG 3.49Å; E105-R235 PolarHBondContact OE1-N 3.34Å; E105-R235 IonicContact OE1-NH1 2.81Å; E105-R235 IonicContact OE2-NH1 3.01Å
106	T	59.5	Low	81.8	Confident	108 Å²	108	38.4 Å²	38.4	66%	0.663	23%	0.23	S	C	*	.	S	Bend	trans	-111.8	-0.7	169.4	60.3	0	0	0	0	113.4
107	T	68.8	Low	82.3	Confident	76 Å²	76	36.9 Å²	36.9	47%	0.466	22%	0.218	S	C	.	.	S	Bend	trans	-121.9	-0.2	-166	60	0	0	0	0	115.2	Q236 I441	T107-Q236 PolarHBondContact OG1-NE2 3.15Å; T107-I441 VanDerWaalsContact O-CD1 3.25Å; T107-I441 WeakPolarHBondContact O-CD1 3.5Å
108	N	83.9	Confident	82.7	Confident	33 Å²	33	37.5 Å²	37.5	18%	0.176	22%	0.221	C	C	.	.	S	Bend	trans	-111.6	151.1	-174.2	-58.9	-16.7	0	0	0	110.9	E105 P110 R235 I441	E105-N108 PolarHBondContact OE1-ND2 3.27Å; E105-N108 VanDerWaalsContact OE1-ND2 3.09Å; N108-P110 WeakPolarHBondContact O-CD 3.49Å; N108-R235 WeakPolarHBondContact ND2-CB 3.41Å; N108-I441 VanDerWaalsContact C-CD1 3.45Å
109	I	89.8	Confident	83.2	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.041	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.4	128.6	176.7	-64.5	179.3	0	0	0	108.5	R235 K347 H350 Y351 L438 I441	I109-R235 PolarHBondContact O-NH2 3.49Å; I109-K347 HydrophobicContact CG2-CD 4.26Å; I109-K347 VanDerWaalsContact CG2-CE 3.41Å; I109-K347 HydrophobicContact CG2-CG 4.18Å; I109-H350 WeakPolarHBondContact CD1-CD2 3.4Å; I109-Y351 HydrophobicContact CD1-CE2 4.44Å; I109-L438 HydrophobicContact CG1-CD1 4.16Å; I109-L438 HydrophobicContact CG2-CD1 4Å; I109-I441 HydrophobicContact CD1-CG2 4.26Å; I109-I441 HydrophobicContact CG1-CD1 3.93Å; I109-I441 HydrophobicContact CG1-CG2 4.05Å
110	P	91.4	Very high	83.6	Confident	10 Å²	10	34 Å²	34	7%	0.065	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-58.7	143.3	-178.6	-28.7	37.8	0	0	0	113	V97 N108 K347 L435	V97-P110 HydrophobicContact CG2-CB 4.13Å; N108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-K347 WeakPolarHBondContact O-CE 2.92Å; P110-K347 PolarHBondContact O-NZ 2.67Å; P110-L435 HydrophobicContact CB-CD1 4.5Å; P110-L435 HydrophobicContact CG-CD1 4.18Å; P110-L435 HydrophobicContact CG-CD2 4.44Å
111	L	94.4	Very high	83.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-103.6	151.7	174.9	-59.1	-176.1	0	0	0	110.7	Q101 T231 F248 Q285 E288	Q101-L111 PolarHBondContact NE2-O 3.31Å; L111-T231 HydrophobicContact CB-CG2 3.68Å; L111-F248 HydrophobicContact CB-CZ 4.27Å; L111-F248 HydrophobicContact CD1-CE2 3.47Å; L111-F248 VanDerWaalsContact CD1-CE2 3.47Å; L111-F248 HydrophobicContact CD1-CZ 3.63Å; L111-Q285 HydrophobicContact CD2-CB 4.5Å; L111-Q285 HydrophobicContact CD2-CG 4.24Å; L111-E288 VanDerWaalsContact CD2-OE2 3.28Å; L111-E288 WeakPolarHBondContact CD2-OE2 3.34Å
112	I	94.4	Very high	84.1	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-89.6	123.7	-179.8	-58.5	175.5	0	0	0	109.6	L281 Q285 W340 M343	I112-L281 HydrophobicContact CB-CD2 4.34Å; I112-L281 HydrophobicContact CD1-CD1 4.22Å; I112-L281 HydrophobicContact CD1-CD2 4.48Å; I112-L281 HydrophobicContact CG2-CD2 4.09Å; I112-Q285 VanDerWaalsContact CB-OE1 3.3Å; I112-Q285 PolarHBondContact O-NE2 2.9Å; I112-Q285 PolarHBondContact O-OE1 3.04Å; I112-W340 HydrophobicContact CD1-CB 4.13Å; I112-W340 HydrophobicContact CD1-CD2 4.23Å; I112-W340 HydrophobicContact CD1-CG 4.01Å; I112-W340 HydrophobicContact CG2-CD2 3.59Å; I112-W340 HydrophobicContact CG2-CE3 3.86Å; I112-W340 HydrophobicContact CG2-CG 4.29Å; I112-W340 HydrophobicContact CG2-CH2 3.69Å; I112-W340 HydrophobicContact CG2-CZ2 3.39Å; I112-W340 HydrophobicContact CG2-CZ3 3.92Å; I112-M343 HydrophobicContact CD1-CB 4.39Å; I112-M343 HydrophobicContact CD1-CG 4.28Å
113	A	93.3	Very high	84.7	Confident	8 Å²	8	41.9 Å²	41.9	7%	0.066	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-100.9	145.7	171.7	0	0	0	0	0	110.9	Y100 Q228 T231	Y100-A113 HydrophobicContact CD1-CB 4.21Å; Y100-A113 HydrophobicContact CD2-CB 4.01Å; Y100-A113 HydrophobicContact CG-CB 3.78Å; A113-Q228 HydrophobicContact CB-CG 3.86Å; A113-T231 HydrophobicContact CB-CG2 3.77Å
114	L	93.5	Very high	85.9	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-80.4	136.8	172.1	-49.7	-176.9	0	0	0	110.2	A224 S227 Q228 L255 L278 M282 W340	L114-A224 HydrophobicContact CB-CB 3.75Å; L114-S227 PolarHBondContact N-OG 3.38Å; L114-Q228 PolarHBondContact O-NE2 2.99Å; L114-L255 HydrophobicContact CD1-CD1 4.23Å; L114-L278 HydrophobicContact CD2-CD2 3.83Å; L114-M282 HydrophobicContact CD2-CE 4.14Å; L114-M282 HydrophobicContact CG-CE 4.3Å; L114-W340 HydrophobicContact CD2-CH2 3.59Å; L114-W340 HydrophobicContact CD2-CZ3 3.96Å
115	G	89.1	Confident	87.3	Confident	15 Å²	15	31.6 Å²	31.6	16%	0.155	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-71.9	141.2	170.4	0	0	0	0	0	111.3
116	L	90.4	Very high	88.8	Confident	15 Å²	15	32.8 Å²	32.8	8%	0.079	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-65.1	141	171.1	-61.6	174.6	0	0	0	110	P160 N221 A224 L225	L116-P160 HydrophobicContact CD1-CG 4.02Å; L116-N221 HydrophobicContact CD2-CB 4.06Å; L116-A224 HydrophobicContact CD2-CB 3.83Å; L116-L225 HydrophobicContact CD1-CD2 4.23Å; L116-L225 HydrophobicContact CD2-CD2 3.96Å; L116-L225 HydrophobicContact CD2-CG 3.96Å
117	K	92.4	Very high	90.4	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.022	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-68.2	143	163.9	-63.4	176.1	66.7	60.6	0	109.4	W197 Y198 S217 F220 N221 S267 D269 M270	K117-W197 HydrophobicContact CB-CE3 3.67Å; K117-W197 HydrophobicContact CB-CZ3 3.86Å; K117-Y198 PolarHBondContact NZ-O 3.3Å; K117-S217 WeakPolarHBondContact CE-OG 3.41Å; K117-F220 HydrophobicContact CD-CB 3.91Å; K117-F220 HydrophobicContact CD-CD1 3.51Å; K117-F220 HydrophobicContact CD-CD2 4.38Å; K117-F220 HydrophobicContact CD-CE1 4.13Å; K117-F220 HydrophobicContact CD-CG 3.67Å; K117-F220 HydrophobicContact CG-CD1 3.49Å; K117-F220 VanDerWaalsContact CG-CD1 3.49Å; K117-F220 HydrophobicContact CG-CE1 3.75Å; K117-F220 HydrophobicContact CG-CG 4.18Å; K117-N221 WeakPolarHBondContact CB-OD1 3.4Å; K117-N221 PolarHBondContact N-OD1 2.93Å; K117-N221 PolarHBondContact O-ND2 3.03Å; K117-S267 PolarHBondContact NZ-OG 3.46Å; K117-D269 WeakPolarHBondContact CD-OD2 3.28Å; K117-D269 IonicContact NZ-OD1 3.47Å; K117-D269 PolarHBondContact NZ-OD1 3.01Å; K117-D269 IonicContact NZ-OD2 3.12Å; K117-D269 PolarHBondContact NZ-OD2 3.14Å; K117-M270 HydrophobicContact CD-CE 4.34Å; K117-M270 HydrophobicContact CD-SD 4.4Å
118	E	89.3	Confident	91.7	Very high	19 Å²	19	25.9 Å²	25.9	9%	0.089	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-101	153.4	178.2	-61.3	177.4	159.7	0	0	110.3	A40 N43 W197 Y198	A40-E118 WeakPolarHBondContact CA-OE2 3.38Å; N43-E118 PolarHBondContact ND2-OE2 3.08Å; E118-W197 CarbonylContact O-C 3.56Å; E118-W197 WeakPolarHBondContact O-CA 3.48Å; E118-W197 VanDerWaalsContact O-CE3 3.24Å; E118-Y198 HydrophobicContact CB-CD2 3.95Å; E118-Y198 HydrophobicContact CB-CG 4.41Å; E118-Y198 WeakPolarHBondContact O-CD2 3.47Å; E118-Y198 PolarHBondContact O-N 2.97Å
119	T	90.8	Very high	92.3	Very high	12 Å²	12	26.1 Å²	26.1	7%	0.074	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-141.9	158.7	176.1	-172.3	0	0	0	0	111.4	R154 R158 T196 W197	T119-R154 PolarHBondContact OG1-NH2 2.97Å; T119-R158 HydrophobicContact CG2-CG 3.71Å; T119-R158 PolarHBondContact O-NE 3.29Å; T119-R158 VanDerWaalsContact O-NE 3.12Å; T119-R158 PolarHBondContact O-NH2 3.41Å; T119-T196 WeakPolarHBondContact CA-O 3.21Å; T119-T196 WeakPolarHBondContact CB-O 3.33Å; T119-T196 PolarHBondContact OG1-O 3.17Å; T119-W197 HydrophobicContact CG2-CE3 4.48Å; T119-W197 HydrophobicContact CG2-CH2 3.61Å; T119-W197 HydrophobicContact CG2-CZ2 3.67Å; T119-W197 HydrophobicContact CG2-CZ3 4.05Å
120	K	87.8	Confident	92.5	Very high	53 Å²	53	29.8 Å²	29.8	23%	0.23	17%	0.167	C	C	.	.			trans	-84.6	164.4	173.2	-66.5	-172.1	178.1	176.8	0	111.5	R154 T196 Y198 N622	K120-R154 PolarHBondContact O-NH1 2.82Å; K120-R154 PolarHBondContact O-NH2 2.96Å; K120-T196 HydrophobicContact CD-CG2 4.16Å; K120-T196 HydrophobicContact CG-CG2 4.36Å; K120-T196 PolarHBondContact N-O 2.96Å; K120-Y198 WeakPolarHBondContact CE-OH 3.36Å; K120-Y198 HydrophobicContact CG-CE2 4.18Å; K120-N622 PolarHBondContact NZ-OD1 3.37Å
121	E	88.1	Confident	92.6	Very high	130 Å²	130	29.6 Å²	29.6	61%	0.607	17%	0.165	S	C	*	.			trans	-63	146.6	166.5	-64.1	-176.1	176.2	0	0	109.8	Q155 R158	E121-Q155 PolarHBondContact OE1-NE2 2.82Å; E121-R158 IonicContact OE1-CZ 2.73Å; E121-R158 IonicContact OE1-NH1 3.71Å; E121-R158 PolarHBondContact OE1-NH1 3.11Å
122	V	91.3	Very high	92.7	Very high	18 Å²	18	29.6 Å²	29.6	11%	0.109	17%	0.165	C	C	.	.			trans	-133.1	122.3	178.8	174.3	0	0	0	0	106.1	F124 R154 I193 F195	V122-F124 HydrophobicContact CB-CE2 4.47Å; V122-F124 HydrophobicContact CB-CZ 4.24Å; V122-F124 HydrophobicContact CG1-CD1 4.08Å; V122-F124 HydrophobicContact CG1-CE1 3.61Å; V122-F124 HydrophobicContact CG1-CE2 4.17Å; V122-F124 HydrophobicContact CG1-CZ 3.65Å; V122-R154 VanDerWaalsContact CG2-CZ 3.42Å; V122-I193 HydrophobicContact CG1-CG2 3.73Å; V122-F195 HydrophobicContact CG2-CD1 4.36Å
123	D	91.8	Very high	92.7	Very high	93 Å²	93	34.3 Å²	34.3	50%	0.497	19%	0.19	S	C	.	.			trans	-89.8	118.1	174.6	-177.3	13.8	0	0	0	109.6	S125	D123-S125 WeakPolarHBondContact OD1-CB 3.37Å; D123-S125 PolarHBondContact OD1-N 3.36Å
124	F	94.9	Very high	92.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.213	C	C	.	.			trans	-96.2	-12.3	174.2	-60.8	-67.6	0	0	0	112.3	V122 F128 I147 L150 M151 I193 F195	V122-F124 HydrophobicContact CB-CE2 4.47Å; V122-F124 HydrophobicContact CB-CZ 4.24Å; V122-F124 HydrophobicContact CG1-CD1 4.08Å; V122-F124 HydrophobicContact CG1-CE1 3.61Å; V122-F124 HydrophobicContact CG1-CE2 4.17Å; V122-F124 HydrophobicContact CG1-CZ 3.65Å; F124-F128 HydrophobicContact CB-CD1 4.48Å; F124-F128 HydrophobicContact CB-CD2 3.94Å; F124-F128 HydrophobicContact CB-CE2 3.97Å; F124-F128 HydrophobicContact CB-CG 4.2Å; F124-F128 HydrophobicContact CB-CZ 4.25Å; F124-F128 HydrophobicContact CD1-CE1 4Å; F124-F128 HydrophobicContact CD1-CE2 4.13Å; F124-F128 AromaticContact CD1-CZ 3.66Å; F124-F128 HydrophobicContact CD1-CZ 3.66Å; F124-F128 HydrophobicContact CE1-CZ 4.33Å; F124-F128 HydrophobicContact CG-CE2 4.17Å; F124-F128 HydrophobicContact CG-CZ 4.17Å; F124-F128 WeakPolarHBondContact O-CB 3.46Å; F124-F128 WeakPolarHBondContact O-CG 3.45Å; F124-F128 PolarHBondContact O-N 2.92Å; F124-I147 HydrophobicContact CB-CG2 4.1Å; F124-L150 HydrophobicContact CD2-CD2 4.1Å; F124-L150 HydrophobicContact CD2-CG 4.23Å; F124-L150 HydrophobicContact CE2-CD2 4.38Å; F124-L150 HydrophobicContact CE2-CG 4.35Å; F124-L150 HydrophobicContact CG-CD2 4.39Å; F124-M151 HydrophobicContact CB-CG 4.3Å; F124-M151 HydrophobicContact CB-SD 4.43Å; F124-M151 HydrophobicContact CD2-CG 3.69Å; F124-M151 HydrophobicContact CG-CG 4.48Å; F124-I193 HydrophobicContact CD1-CD1 3.87Å; F124-I193 HydrophobicContact CD1-CG2 4.43Å; F124-I193 HydrophobicContact CE1-CD1 4.35Å; F124-I193 HydrophobicContact CE1-CG2 4.05Å; F124-F195 HydrophobicContact CE1-CE1 4.01Å; F124-F195 HydrophobicContact CE1-CZ 4.08Å; F124-F195 AromaticContact CZ-CE1 3.95Å; F124-F195 HydrophobicContact CZ-CE1 3.95Å; F124-F195 HydrophobicContact CZ-CZ 4.43Å
125	S	94.4	Very high	92.5	Very high	29 Å²	29	40.8 Å²	40.8	20%	0.203	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-66	-168.9	-170.4	0	0	0	0	112.6	D123 K129	D123-S125 WeakPolarHBondContact OD1-CB 3.37Å; D123-S125 PolarHBondContact OD1-N 3.36Å; S125-K129 WeakPolarHBondContact O-CB 3.16Å; S125-K129 WeakPolarHBondContact O-CG 3.42Å; S125-K129 PolarHBondContact O-N 3.4Å; S125-K129 WeakPolarHBondContact OG-CE 2.85Å; S125-K129 PolarHBondContact OG-NZ 3.28Å
126	A	94.4	Very high	92.7	Very high	51 Å²	51	40.9 Å²	40.9	42%	0.421	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-50.6	-179	0	0	0	0	0	112.6	F128 K129 D130	A126-F128 VanDerWaalsContact C-N 3.33Å; A126-F128 PolarHBondContact O-N 2.87Å; A126-K129 PolarHBondContact O-N 3.13Å; A126-D130 WeakPolarHBondContact O-CB 3.07Å; A126-D130 VanDerWaalsContact O-CG 3.24Å; A126-D130 PolarHBondContact O-N 2.93Å
127	P	94.6	Very high	92.7	Very high	35 Å²	35	43.9 Å²	43.9	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-36.9	-178.3	-25.4	35.5	0	0	0	114.4	F131 I193	P127-F131 VanDerWaalsContact O-CB 3.29Å; P127-F131 WeakPolarHBondContact O-CB 3.38Å; P127-F131 PolarHBondContact O-N 3.17Å; P127-I193 HydrophobicContact CB-CD1 3.95Å; P127-I193 HydrophobicContact CB-CG1 3.9Å; P127-I193 HydrophobicContact CG-CD1 4.47Å; P127-I193 HydrophobicContact CG-CG1 3.97Å
128	F	96.2	Very high	92.8	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-77.7	-39.9	179.5	-73.7	7.4	0	0	0	111.5	F124 A126 D130 F131 I132 I147 L150 I180 F184 F185 I193 F495	F124-F128 HydrophobicContact CB-CD1 4.48Å; F124-F128 HydrophobicContact CB-CD2 3.94Å; F124-F128 HydrophobicContact CB-CE2 3.97Å; F124-F128 HydrophobicContact CB-CG 4.2Å; F124-F128 HydrophobicContact CB-CZ 4.25Å; F124-F128 HydrophobicContact CD1-CE1 4Å; F124-F128 HydrophobicContact CD1-CE2 4.13Å; F124-F128 AromaticContact CD1-CZ 3.66Å; F124-F128 HydrophobicContact CD1-CZ 3.66Å; F124-F128 HydrophobicContact CE1-CZ 4.33Å; F124-F128 HydrophobicContact CG-CE2 4.17Å; F124-F128 HydrophobicContact CG-CZ 4.17Å; F124-F128 WeakPolarHBondContact O-CB 3.46Å; F124-F128 WeakPolarHBondContact O-CG 3.45Å; F124-F128 PolarHBondContact O-N 2.92Å; A126-F128 VanDerWaalsContact C-N 3.33Å; A126-F128 PolarHBondContact O-N 2.87Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 3.47Å; F128-F131 PolarHBondContact O-N 3.45Å; F128-I132 WeakPolarHBondContact O-CB 3.42Å; F128-I132 WeakPolarHBondContact O-CG1 3.45Å; F128-I132 PolarHBondContact O-N 3.34Å; F128-I147 HydrophobicContact CB-CD1 4Å; F128-I147 HydrophobicContact CB-CG1 4.33Å; F128-I147 HydrophobicContact CD2-CG1 4.45Å; F128-L150 HydrophobicContact CE2-CD2 3.66Å; F128-L150 HydrophobicContact CZ-CD2 4.46Å; F128-I180 HydrophobicContact CE2-CG2 4.18Å; F128-I180 HydrophobicContact CZ-CG2 3.74Å; F128-F184 HydrophobicContact CB-CD1 4.37Å; F128-F184 HydrophobicContact CB-CE1 4.17Å; F128-F184 HydrophobicContact CD1-CB 4.08Å; F128-F184 AromaticContact CD1-CD1 3.93Å; F128-F184 HydrophobicContact CD1-CD1 3.93Å; F128-F184 HydrophobicContact CD1-CD2 4.33Å; F128-F184 HydrophobicContact CD1-CE1 4.49Å; F128-F184 AromaticContact CD1-CG 3.84Å; F128-F184 HydrophobicContact CD1-CG 3.84Å; F128-F184 HydrophobicContact CD2-CD1 4.35Å; F128-F184 AromaticContact CD2-CD2 3.96Å; F128-F184 HydrophobicContact CD2-CD2 3.96Å; F128-F184 HydrophobicContact CD2-CE1 4.23Å; F128-F184 AromaticContact CD2-CE2 3.82Å; F128-F184 HydrophobicContact CD2-CE2 3.82Å; F128-F184 HydrophobicContact CD2-CG 4.23Å; F128-F184 AromaticContact CD2-CZ 3.96Å; F128-F184 HydrophobicContact CD2-CZ 3.96Å; F128-F184 HydrophobicContact CE1-CB 3.64Å; F128-F184 HydrophobicContact CE1-CD1 4.27Å; F128-F184 AromaticContact CE1-CD2 3.99Å; F128-F184 HydrophobicContact CE1-CD2 3.99Å; F128-F184 AromaticContact CE1-CG 3.7Å; F128-F184 HydrophobicContact CE1-CG 3.7Å; F128-F184 AromaticContact CE2-CD2 3.6Å; F128-F184 HydrophobicContact CE2-CD2 3.6Å; F128-F184 AromaticContact CE2-CE2 3.74Å; F128-F184 HydrophobicContact CE2-CE2 3.74Å; F128-F184 HydrophobicContact CE2-CG 4.1Å; F128-F184 HydrophobicContact CE2-CZ 4.35Å; F128-F184 AromaticContact CG-CD1 3.98Å; F128-F184 HydrophobicContact CG-CD1 3.98Å; F128-F184 HydrophobicContact CG-CD2 4.32Å; F128-F184 HydrophobicContact CG-CE1 4.07Å; F128-F184 HydrophobicContact CG-CE2 4.4Å; F128-F184 HydrophobicContact CG-CG 4.12Å; F128-F184 HydrophobicContact CG-CZ 4.27Å; F128-F184 HydrophobicContact CZ-CB 4.04Å; F128-F184 AromaticContact CZ-CD2 3.63Å; F128-F184 HydrophobicContact CZ-CD2 3.63Å; F128-F184 HydrophobicContact CZ-CE2 4.26Å; F128-F184 AromaticContact CZ-CG 3.86Å; F128-F184 HydrophobicContact CZ-CG 3.86Å; F128-F185 HydrophobicContact CE1-CE2 4.14Å; F128-F185 HydrophobicContact CZ-CE2 4.21Å; F128-I193 HydrophobicContact CD1-CD1 3.98Å; F128-I193 HydrophobicContact CE1-CD1 3.41Å; F128-I193 VanDerWaalsContact CE1-CD1 3.41Å; F128-I193 HydrophobicContact CZ-CD1 4.31Å; F128-F495 AromaticContact CD2-CZ 3.97Å; F128-F495 HydrophobicContact CD2-CZ 3.97Å; F128-F495 HydrophobicContact CE2-CE2 4.44Å; F128-F495 HydrophobicContact CE2-CZ 4.31Å
129	K	96.1	Very high	93	Very high	38 Å²	38	48.9 Å²	48.9	17%	0.165	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-44.8	174.6	-71.4	176.3	-174.8	-179.9	0	111.3	S125 A126 I132 L133 E144 I147	S125-K129 WeakPolarHBondContact O-CB 3.16Å; S125-K129 WeakPolarHBondContact O-CG 3.42Å; S125-K129 PolarHBondContact O-N 3.4Å; S125-K129 WeakPolarHBondContact OG-CE 2.85Å; S125-K129 PolarHBondContact OG-NZ 3.28Å; A126-K129 PolarHBondContact O-N 3.13Å; K129-I132 PolarHBondContact O-N 3.47Å; K129-L133 PolarHBondContact O-N 2.81Å; K129-E144 IonicContact NZ-OE1 2.63Å; K129-E144 PolarHBondContact NZ-OE1 2.94Å; K129-E144 IonicContact NZ-OE2 3.02Å; K129-E144 PolarHBondContact NZ-OE2 3.36Å; K129-I147 HydrophobicContact CG-CD1 3.82Å
130	D	94.1	Very high	93.2	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.6	-67.1	-13.9	0	0	0	111.3	A126 F128 L133 E134	A126-D130 WeakPolarHBondContact O-CB 3.07Å; A126-D130 VanDerWaalsContact O-CG 3.24Å; A126-D130 PolarHBondContact O-N 2.93Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 3.47Å; D130-L133 PolarHBondContact O-N 2.96Å; D130-E134 WeakPolarHBondContact O-CB 3.45Å; D130-E134 VanDerWaalsContact O-CG 3.32Å; D130-E134 WeakPolarHBondContact O-CG 3.31Å; D130-E134 PolarHBondContact O-N 3.43Å
131	F	94.1	Very high	93.5	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-38.9	177.2	-166.2	-81.2	0	0	0	112.3	P127 F128 E134 H135 Y136 R183 F184 A506	P127-F131 VanDerWaalsContact O-CB 3.29Å; P127-F131 WeakPolarHBondContact O-CB 3.38Å; P127-F131 PolarHBondContact O-N 3.17Å; F128-F131 PolarHBondContact O-N 3.45Å; F131-E134 PolarHBondContact O-N 3.44Å; F131-H135 HydrophobicContact CD1-CB 3.78Å; F131-H135 HydrophobicContact CE1-CB 3.48Å; F131-H135 VanDerWaalsContact CE1-CB 3.48Å; F131-H135 AromaticContact CE1-CD2 3.66Å; F131-H135 AromaticContact CE1-CG 3.53Å; F131-H135 HydrophobicContact CG-CB 4.41Å; F131-H135 HydrophobicContact CZ-CB 3.89Å; F131-H135 AromaticContact CZ-CG 3.73Å; F131-H135 AromaticContact CZ-ND1 4Å; F131-H135 WeakPolarHBondContact O-CB 3.3Å; F131-H135 PolarHBondContact O-N 2.85Å; F131-Y136 HydrophobicContact CD1-CD2 4.11Å; F131-Y136 AromaticContact CD1-CE2 3.72Å; F131-Y136 HydrophobicContact CD1-CE2 3.72Å; F131-Y136 HydrophobicContact CE1-CD2 4.21Å; F131-Y136 AromaticContact CE1-CE2 3.56Å; F131-Y136 HydrophobicContact CE1-CE2 3.56Å; F131-R183 VanDerWaalsContact CE1-O 3.22Å; F131-R183 WeakPolarHBondContact CE1-O 3.43Å; F131-F184 HydrophobicContact CB-CD1 4.27Å; F131-F184 AromaticContact CD1-CD1 3.72Å; F131-F184 HydrophobicContact CD1-CD1 3.72Å; F131-F184 HydrophobicContact CD1-CE1 4.39Å; F131-F184 HydrophobicContact CE1-CD1 4.39Å; F131-F184 WeakPolarHBondContact CE2-O 3.29Å; F131-F184 HydrophobicContact CG-CD1 4.16Å; F131-A506 HydrophobicContact CE1-CB 4.32Å; F131-A506 HydrophobicContact CZ-CB 3.78Å
132	I	95.4	Very high	93.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-60.8	-47.6	176.2	-69.4	165.4	0	0	0	110.2	F128 K129 Y136 N137 E138 F143 F184 L498	F128-I132 WeakPolarHBondContact O-CB 3.42Å; F128-I132 WeakPolarHBondContact O-CG1 3.45Å; F128-I132 PolarHBondContact O-N 3.34Å; K129-I132 PolarHBondContact O-N 3.47Å; I132-Y136 CarbonylContact O-C 3.6Å; I132-Y136 WeakPolarHBondContact O-CA 3.38Å; I132-Y136 WeakPolarHBondContact O-CB 3.24Å; I132-Y136 PolarHBondContact O-N 2.83Å; I132-N137 PolarHBondContact O-N 3.06Å; I132-N137 VanDerWaalsContact O-N 3.16Å; I132-E138 HydrophobicContact CG2-CB 3.84Å; I132-E138 PolarHBondContact O-N 2.98Å; I132-F143 HydrophobicContact CD1-CB 3.84Å; I132-F143 HydrophobicContact CD1-CD2 3.98Å; I132-F143 HydrophobicContact CD1-CG 3.88Å; I132-F143 HydrophobicContact CG2-CD2 3.98Å; I132-F143 HydrophobicContact CG2-CE2 4Å; I132-F184 HydrophobicContact CD1-CE1 4.2Å; I132-F184 HydrophobicContact CD1-CZ 4.47Å; I132-F184 HydrophobicContact CG1-CE1 3.85Å; I132-F184 HydrophobicContact CG1-CZ 4.5Å; I132-L498 HydrophobicContact CG1-CD1 4.39Å; I132-L498 HydrophobicContact CG1-CD2 4.48Å; I132-L498 HydrophobicContact CG2-CD2 4.14Å
133	L	94.1	Very high	94.2	Very high	101 Å²	101	51.1 Å²	51.1	53%	0.529	26%	0.263	S	S	.	.	I	π-helix	trans	-61.8	-49.4	178.1	-176.8	63.7	0	0	0	112.1	K129 D130 N137 E138	K129-L133 PolarHBondContact O-N 2.81Å; D130-L133 PolarHBondContact O-N 2.96Å; L133-N137 VanDerWaalsContact O-CA 3.31Å; L133-N137 WeakPolarHBondContact O-CA 3.41Å; L133-N137 PolarHBondContact O-N 3.05Å; L133-E138 VanDerWaalsContact CA-O 3.24Å; L133-E138 WeakPolarHBondContact CA-O 3.25Å; L133-E138 PolarHBondContact N-O 3.25Å
134	E	91.3	Very high	94.4	Very high	120 Å²	120	51.5 Å²	51.5	56%	0.561	26%	0.262	S	S	*	.	I	π-helix	trans	-80.1	-34.4	-171.9	-68.6	177.2	-169.2	0	0	114.3	D130 F131 R189	D130-E134 WeakPolarHBondContact O-CB 3.45Å; D130-E134 VanDerWaalsContact O-CG 3.32Å; D130-E134 WeakPolarHBondContact O-CG 3.31Å; D130-E134 PolarHBondContact O-N 3.43Å; F131-E134 PolarHBondContact O-N 3.44Å; E134-R189 IonicContact OE1-NH2 2.7Å; E134-R189 IonicContact OE2-CZ 2.64Å; E134-R189 IonicContact OE2-NH1 3.13Å; E134-R189 PolarHBondContact OE2-NH1 3.35Å; E134-R189 IonicContact OE2-NH2 2.73Å; E134-R189 PolarHBondContact OE2-NH2 3.17Å
135	H	91.8	Very high	94.4	Very high	26 Å²	26	57.1 Å²	57.1	12%	0.12	29%	0.288	C	S	.	.	I	π-helix	trans	-97.6	-41.4	-174.6	-170.9	82.8	0	0	0	112.5	F131 S505 Q508 W510	F131-H135 HydrophobicContact CD1-CB 3.78Å; F131-H135 HydrophobicContact CE1-CB 3.48Å; F131-H135 VanDerWaalsContact CE1-CB 3.48Å; F131-H135 AromaticContact CE1-CD2 3.66Å; F131-H135 AromaticContact CE1-CG 3.53Å; F131-H135 HydrophobicContact CG-CB 4.41Å; F131-H135 HydrophobicContact CZ-CB 3.89Å; F131-H135 AromaticContact CZ-CG 3.73Å; F131-H135 AromaticContact CZ-ND1 4Å; F131-H135 WeakPolarHBondContact O-CB 3.3Å; F131-H135 PolarHBondContact O-N 2.85Å; H135-S505 PolarHBondContact NE2-O 2.89Å; H135-Q508 PolarHBondContact CE1-O 3.18Å; H135-Q508 PolarHBondContact NE2-O 3.34Å; H135-W510 AromaticContact NE2-NE1 3.95Å
136	Y	92.4	Very high	94.5	Very high	17 Å²	17	57 Å²	57	7%	0.067	28%	0.284	C	S	.	.	I	π-helix	trans	-96.9	-11	-177	-63	-87.6	0	0	0	112.7	F131 I132 E138 R183 L498 F504	F131-Y136 HydrophobicContact CD1-CD2 4.11Å; F131-Y136 AromaticContact CD1-CE2 3.72Å; F131-Y136 HydrophobicContact CD1-CE2 3.72Å; F131-Y136 HydrophobicContact CE1-CD2 4.21Å; F131-Y136 AromaticContact CE1-CE2 3.56Å; F131-Y136 HydrophobicContact CE1-CE2 3.56Å; I132-Y136 CarbonylContact O-C 3.6Å; I132-Y136 WeakPolarHBondContact O-CA 3.38Å; I132-Y136 WeakPolarHBondContact O-CB 3.24Å; I132-Y136 PolarHBondContact O-N 2.83Å; Y136-E138 PolarHBondContact O-N 3.42Å; Y136-R183 WeakPolarHBondContact OH-CA 3.34Å; Y136-R183 PolarHBondContact OH-O 3.17Å; Y136-L498 HydrophobicContact CD1-CB 4.05Å; Y136-L498 HydrophobicContact CD1-CD1 4.34Å; Y136-L498 HydrophobicContact CD1-CD2 4.14Å; Y136-L498 HydrophobicContact CD1-CG 4.42Å; Y136-L498 HydrophobicContact CD2-CD1 4.11Å; Y136-L498 HydrophobicContact CD2-CD2 4.32Å; Y136-L498 HydrophobicContact CE1-CB 4.05Å; Y136-L498 HydrophobicContact CE1-CD1 4.17Å; Y136-L498 HydrophobicContact CE2-CD1 3.88Å; Y136-L498 HydrophobicContact CG-CD1 4.31Å; Y136-L498 HydrophobicContact CG-CD2 3.91Å; Y136-F504 HydrophobicContact CD1-CB 4.48Å; Y136-F504 HydrophobicContact CE1-CB 4.03Å
137	N	92.1	Very high	94.6	Very high	77 Å²	77	54.6 Å²	54.6	41%	0.412	27%	0.265	S	S	.	.			trans	57.4	31.4	-175.9	-59.1	-90.7	0	0	0	112.9	I132 L133 P513	I132-N137 PolarHBondContact O-N 3.06Å; I132-N137 VanDerWaalsContact O-N 3.16Å; L133-N137 VanDerWaalsContact O-CA 3.31Å; L133-N137 WeakPolarHBondContact O-CA 3.41Å; L133-N137 PolarHBondContact O-N 3.05Å; N137-P513 HydrophobicContact CB-CG 4.3Å
138	E	93.2	Very high	94.6	Very high	46 Å²	46	55 Å²	55	22%	0.215	27%	0.27	C	S	.	.	S	Bend	trans	-112.4	155.3	175.9	-65.2	-168.9	-136.3	0	0	110.5	I132 L133 Y136 G140 F143 K566	I132-E138 HydrophobicContact CG2-CB 3.84Å; I132-E138 PolarHBondContact O-N 2.98Å; L133-E138 VanDerWaalsContact CA-O 3.24Å; L133-E138 WeakPolarHBondContact CA-O 3.25Å; L133-E138 PolarHBondContact N-O 3.25Å; Y136-E138 PolarHBondContact O-N 3.42Å; E138-G140 PolarHBondContact O-N 3.46Å; E138-G140 VanDerWaalsContact O-N 3.17Å; E138-F143 HydrophobicContact CB-CE2 4.23Å; E138-F143 WeakPolarHBondContact OE2-CZ 3.37Å; E138-K566 IonicContact OE1-NZ 2.81Å; E138-K566 PolarHBondContact OE1-NZ 2.83Å; E138-K566 IonicContact OE2-NZ 3.95Å
139	D	94.6	Very high	94.6	Very high	83 Å²	83	56.2 Å²	56.2	44%	0.444	28%	0.277	S	S	.	.			trans	-73	109.7	174.6	179.8	8.5	0	0	0	110.4	R141 T142	D139-R141 PolarHBondContact O-N 3.47Å; D139-R141 VanDerWaalsContact O-N 3.09Å; D139-R141 WeakPolarHBondContact OD1-CB 3.5Å; D139-R141 WeakPolarHBondContact OD1-CG 3.47Å; D139-R141 PolarHBondContact OD1-N 2.86Å; D139-T142 HydrophobicContact CB-CG2 4.09Å; D139-T142 WeakPolarHBondContact O-CB 3.29Å; D139-T142 PolarHBondContact O-N 3.37Å; D139-T142 PolarHBondContact O-OG1 3.14Å
140	G	93.9	Very high	94.6	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.021	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-56.8	-23.6	178.6	0	0	0	0	0	114.5	E138 T142 F143	E138-G140 PolarHBondContact O-N 3.46Å; E138-G140 VanDerWaalsContact O-N 3.17Å; G140-T142 PolarHBondContact O-N 3.25Å; G140-F143 PolarHBondContact O-N 3.14Å; G140-F143 VanDerWaalsContact O-N 3.16Å
141	R	95.4	Very high	94.6	Very high	190 Å²	190	53.1 Å²	53.1	72%	0.717	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-63.7	-26.6	176	-62.3	175.4	-177.7	-167.9	1.4	112.6	D139 F143 E144	D139-R141 PolarHBondContact O-N 3.47Å; D139-R141 VanDerWaalsContact O-N 3.09Å; D139-R141 WeakPolarHBondContact OD1-CB 3.5Å; D139-R141 WeakPolarHBondContact OD1-CG 3.47Å; D139-R141 PolarHBondContact OD1-N 2.86Å; R141-F143 PolarHBondContact O-N 3.41Å; R141-E144 WeakPolarHBondContact O-CB 3.4Å; R141-E144 PolarHBondContact O-N 3.3Å
142	T	96.4	Very high	94.6	Very high	68 Å²	68	57.5 Å²	57.5	42%	0.417	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-75.1	-4	178.9	69.5	0	0	0	0	113.8	D139 G140 R497	D139-T142 HydrophobicContact CB-CG2 4.09Å; D139-T142 WeakPolarHBondContact O-CB 3.29Å; D139-T142 PolarHBondContact O-N 3.37Å; D139-T142 PolarHBondContact O-OG1 3.14Å; G140-T142 PolarHBondContact O-N 3.25Å; T142-R497 PolarHBondContact O-NH1 3.27Å
143	F	97	Very high	94.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-113.5	14	178	-66.8	-92.7	0	0	0	112.9	I132 E138 G140 R141 E145 E146 I147 F495 R497 L498	I132-F143 HydrophobicContact CD1-CB 3.84Å; I132-F143 HydrophobicContact CD1-CD2 3.98Å; I132-F143 HydrophobicContact CD1-CG 3.88Å; I132-F143 HydrophobicContact CG2-CD2 3.98Å; I132-F143 HydrophobicContact CG2-CE2 4Å; E138-F143 HydrophobicContact CB-CE2 4.23Å; E138-F143 WeakPolarHBondContact OE2-CZ 3.37Å; G140-F143 PolarHBondContact O-N 3.14Å; G140-F143 VanDerWaalsContact O-N 3.16Å; R141-F143 PolarHBondContact O-N 3.41Å; F143-E145 VanDerWaalsContact C-N 3.29Å; F143-E145 PolarHBondContact O-N 2.91Å; F143-E146 VanDerWaalsContact CA-OE2 3.23Å; F143-E146 WeakPolarHBondContact CA-OE2 3.45Å; F143-E146 PolarHBondContact O-N 3.4Å; F143-I147 HydrophobicContact CB-CD1 4.48Å; F143-I147 VanDerWaalsContact O-CG1 3.25Å; F143-I147 WeakPolarHBondContact O-CG1 3.3Å; F143-I147 PolarHBondContact O-N 3.16Å; F143-F495 HydrophobicContact CD1-CD1 4.03Å; F143-R497 HydrophobicContact CE1-CB 3.82Å; F143-R497 HydrophobicContact CZ-CB 4.2Å; F143-L498 HydrophobicContact CE1-CD2 3.85Å; F143-L498 HydrophobicContact CE1-CG 3.87Å; F143-L498 HydrophobicContact CE2-CD2 3.91Å; F143-L498 HydrophobicContact CZ-CD2 3.39Å; F143-L498 HydrophobicContact CZ-CG 3.92Å
144	E	95.8	Very high	94.6	Very high	101 Å²	101	53 Å²	53	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-38.1	-176.6	-176.2	127.4	-141.8	0	0	112.4	K129 R141 A148	K129-E144 IonicContact NZ-OE1 2.63Å; K129-E144 PolarHBondContact NZ-OE1 2.94Å; K129-E144 IonicContact NZ-OE2 3.02Å; K129-E144 PolarHBondContact NZ-OE2 3.36Å; R141-E144 WeakPolarHBondContact O-CB 3.4Å; R141-E144 PolarHBondContact O-N 3.3Å; E144-A148 WeakPolarHBondContact O-CB 3.41Å; E144-A148 PolarHBondContact O-N 3.48Å
145	E	95.4	Very high	94.6	Very high	120 Å²	120	50.9 Å²	50.9	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-65.8	-46.8	176.2	-65.3	-171	-177.8	0	0	111.8	K18 F143 I147 A148 D149	K18-E145 IonicContact NZ-OE2 3.76Å; K18-E145 PolarHBondContact NZ-OE2 2.88Å; F143-E145 VanDerWaalsContact C-N 3.29Å; F143-E145 PolarHBondContact O-N 2.91Å; E145-I147 VanDerWaalsContact C-N 3.29Å; E145-I147 PolarHBondContact O-N 3.33Å; E145-A148 PolarHBondContact O-N 3.39Å; E145-D149 WeakPolarHBondContact O-CB 3.2Å; E145-D149 VanDerWaalsContact O-CG 3.24Å; E145-D149 PolarHBondContact O-N 3.33Å
146	E	96.4	Very high	94.6	Very high	26 Å²	26	50.1 Å²	50.1	12%	0.121	25%	0.25	C	C	.	.	H	α-helix	trans	-62.8	-36.3	179	-67.5	87.2	158	0	0	112.2	F143 L150 F494 F495 R497	F143-E146 VanDerWaalsContact CA-OE2 3.23Å; F143-E146 WeakPolarHBondContact CA-OE2 3.45Å; F143-E146 PolarHBondContact O-N 3.4Å; E146-L150 PolarHBondContact O-N 2.94Å; E146-L150 VanDerWaalsContact O-N 3.15Å; E146-F494 HydrophobicContact CB-CB 4.34Å; E146-F494 WeakPolarHBondContact CG-O 3.16Å; E146-F495 HydrophobicContact CB-CD1 4.2Å; E146-F495 HydrophobicContact CB-CE1 3.91Å; E146-F495 HydrophobicContact CB-CZ 4.35Å; E146-R497 WeakPolarHBondContact OE1-CD 3.32Å; E146-R497 IonicContact OE1-CZ 2.98Å; E146-R497 IonicContact OE1-NH1 2.77Å; E146-R497 PolarHBondContact OE1-NH1 3.45Å; E146-R497 IonicContact OE2-NH1 2.69Å
147	I	96.4	Very high	94.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-42.9	175.1	-61.8	164.6	0	0	0	110.5	F124 F128 K129 F143 E145 D149 L150 M151 F495	F124-I147 HydrophobicContact CB-CG2 4.1Å; F128-I147 HydrophobicContact CB-CD1 4Å; F128-I147 HydrophobicContact CB-CG1 4.33Å; F128-I147 HydrophobicContact CD2-CG1 4.45Å; K129-I147 HydrophobicContact CG-CD1 3.82Å; F143-I147 HydrophobicContact CB-CD1 4.48Å; F143-I147 VanDerWaalsContact O-CG1 3.25Å; F143-I147 WeakPolarHBondContact O-CG1 3.3Å; F143-I147 PolarHBondContact O-N 3.16Å; E145-I147 VanDerWaalsContact C-N 3.29Å; E145-I147 PolarHBondContact O-N 3.33Å; I147-D149 VanDerWaalsContact C-N 3.35Å; I147-L150 PolarHBondContact O-N 3.17Å; I147-M151 HydrophobicContact CG2-CG 4.4Å; I147-M151 HydrophobicContact CG2-SD 3.94Å; I147-M151 WeakPolarHBondContact O-CG 3.26Å; I147-M151 PolarHBondContact O-N 3.31Å; I147-F495 HydrophobicContact CG1-CE1 3.74Å; I147-F495 HydrophobicContact CG1-CZ 3.89Å
148	A	95.5	Very high	94.4	Very high	42 Å²	42	49.1 Å²	49.1	35%	0.347	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-44.7	175.6	0	0	0	0	0	111.3	E144 E145 L150 M151 D152	E144-A148 WeakPolarHBondContact O-CB 3.41Å; E144-A148 PolarHBondContact O-N 3.48Å; E145-A148 PolarHBondContact O-N 3.39Å; A148-L150 VanDerWaalsContact C-N 3.32Å; A148-L150 PolarHBondContact O-N 2.91Å; A148-M151 PolarHBondContact O-N 3.29Å; A148-M151 VanDerWaalsContact O-N 3.13Å; A148-D152 WeakPolarHBondContact O-CB 3.44Å; A148-D152 PolarHBondContact O-N 2.7Å
149	D	94.8	Very high	94.1	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.16	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-43.2	176.4	-77	-9.1	0	0	0	112	F20 E145 I147 L153 F494	F20-D149 HydrophobicContact CD2-CB 4.48Å; F20-D149 HydrophobicContact CE2-CB 3.48Å; F20-D149 VanDerWaalsContact CE2-CB 3.48Å; F20-D149 WeakPolarHBondContact CE2-OD1 3.32Å; F20-D149 HydrophobicContact CZ-CB 3.75Å; E145-D149 WeakPolarHBondContact O-CB 3.2Å; E145-D149 VanDerWaalsContact O-CG 3.24Å; E145-D149 PolarHBondContact O-N 3.33Å; I147-D149 VanDerWaalsContact C-N 3.35Å; D149-L153 WeakPolarHBondContact O-CB 3.14Å; D149-L153 PolarHBondContact O-N 3.18Å; D149-F494 HydrophobicContact CB-CD1 4.37Å; D149-F494 HydrophobicContact CB-CE1 4.17Å
150	L	96.1	Very high	93.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-45.4	174.5	173.3	60.6	0	0	0	112.2	F124 F128 E146 I147 A148 D152 L153 R154 Y173 I180 F494 F495	F124-L150 HydrophobicContact CD2-CD2 4.1Å; F124-L150 HydrophobicContact CD2-CG 4.23Å; F124-L150 HydrophobicContact CE2-CD2 4.38Å; F124-L150 HydrophobicContact CE2-CG 4.35Å; F124-L150 HydrophobicContact CG-CD2 4.39Å; F128-L150 HydrophobicContact CE2-CD2 3.66Å; F128-L150 HydrophobicContact CZ-CD2 4.46Å; E146-L150 PolarHBondContact O-N 2.94Å; E146-L150 VanDerWaalsContact O-N 3.15Å; I147-L150 PolarHBondContact O-N 3.17Å; A148-L150 VanDerWaalsContact C-N 3.32Å; A148-L150 PolarHBondContact O-N 2.91Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-L153 PolarHBondContact O-N 2.89Å; L150-R154 PolarHBondContact O-N 3.17Å; L150-Y173 HydrophobicContact CD1-CD2 4.37Å; L150-Y173 HydrophobicContact CD1-CE2 3.97Å; L150-I180 HydrophobicContact CD1-CD1 3.36Å; L150-I180 HydrophobicContact CD1-CG1 4.42Å; L150-I180 HydrophobicContact CD2-CD1 3.77Å; L150-I180 HydrophobicContact CD2-CG1 4.15Å; L150-I180 HydrophobicContact CG-CD1 4.22Å; L150-F494 HydrophobicContact CB-CD2 4.24Å; L150-F494 HydrophobicContact CB-CE2 4.4Å; L150-F494 HydrophobicContact CD1-CE2 4.41Å; L150-F495 HydrophobicContact CD2-CE2 4.23Å
151	M	95.3	Very high	93.6	Very high	59 Å²	59	45.3 Å²	45.3	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-42.6	179.6	-75.1	177	64.3	0	0	111.2	F124 I147 A148 R154 Q155	F124-M151 HydrophobicContact CB-CG 4.3Å; F124-M151 HydrophobicContact CB-SD 4.43Å; F124-M151 HydrophobicContact CD2-CG 3.69Å; F124-M151 HydrophobicContact CG-CG 4.48Å; I147-M151 HydrophobicContact CG2-CG 4.4Å; I147-M151 HydrophobicContact CG2-SD 3.94Å; I147-M151 WeakPolarHBondContact O-CG 3.26Å; I147-M151 PolarHBondContact O-N 3.31Å; A148-M151 PolarHBondContact O-N 3.29Å; A148-M151 VanDerWaalsContact O-N 3.13Å; M151-R154 PolarHBondContact O-N 3Å; M151-Q155 VanDerWaalsContact O-CB 3.3Å; M151-Q155 WeakPolarHBondContact O-CB 3.32Å; M151-Q155 PolarHBondContact O-N 3.11Å
152	D	93.5	Very high	93.2	Very high	98 Å²	98	37.8 Å²	37.8	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-64.3	-43.8	176.3	-80.7	-8.1	0	0	0	111.8	A148 L150 R154 Q155 A156	A148-D152 WeakPolarHBondContact O-CB 3.44Å; A148-D152 PolarHBondContact O-N 2.7Å; L150-D152 VanDerWaalsContact C-N 3.34Å; D152-R154 VanDerWaalsContact C-N 3.34Å; D152-R154 PolarHBondContact O-N 3.43Å; D152-Q155 PolarHBondContact O-N 3.29Å; D152-A156 WeakPolarHBondContact O-CB 3.42Å; D152-A156 PolarHBondContact O-N 3.11Å
153	L	94.7	Very high	92.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-45.7	175	177.9	61.2	0	0	0	111.3	F20 D149 L150 A156 C157 L169 K172 Y173 F494	F20-L153 HydrophobicContact CD1-CD1 4.45Å; D149-L153 WeakPolarHBondContact O-CB 3.14Å; D149-L153 PolarHBondContact O-N 3.18Å; L150-L153 PolarHBondContact O-N 2.89Å; L153-A156 PolarHBondContact O-N 3.13Å; L153-C157 PolarHBondContact O-N 3.21Å; L153-C157 PolarHBondContact O-SG 3.3Å; L153-L169 HydrophobicContact CD1-CD1 3.72Å; L153-K172 HydrophobicContact CD1-CD 4.28Å; L153-K172 HydrophobicContact CD1-CG 4.47Å; L153-K172 HydrophobicContact CD2-CG 4.44Å; L153-Y173 HydrophobicContact CD2-CD2 4.13Å; L153-Y173 HydrophobicContact CG-CD2 4.08Å; L153-Y173 HydrophobicContact CG-CG 4.49Å; L153-F494 HydrophobicContact CD2-CE2 4.1Å; L153-F494 HydrophobicContact CD2-CZ 4.23Å
154	R	95.2	Very high	92.6	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-42	176.1	-174.4	179.4	-173.7	-80.3	-6.9	111.5	T119 K120 V122 L150 M151 D152 A156 C157 Y173 E214	T119-R154 PolarHBondContact OG1-NH2 2.97Å; K120-R154 PolarHBondContact O-NH1 2.82Å; K120-R154 PolarHBondContact O-NH2 2.96Å; V122-R154 VanDerWaalsContact CG2-CZ 3.42Å; L150-R154 PolarHBondContact O-N 3.17Å; M151-R154 PolarHBondContact O-N 3Å; D152-R154 VanDerWaalsContact C-N 3.34Å; D152-R154 PolarHBondContact O-N 3.43Å; R154-A156 VanDerWaalsContact C-N 3.33Å; R154-A156 PolarHBondContact O-N 3.41Å; R154-C157 WeakPolarHBondContact O-CB 3.34Å; R154-C157 PolarHBondContact O-N 3.02Å; R154-C157 VanDerWaalsContact O-N 3.14Å; R154-Y173 HydrophobicContact CB-CD2 4.33Å; R154-Y173 HydrophobicContact CB-CE2 3.73Å; R154-Y173 WeakPolarHBondContact CD-OH 3.45Å; R154-Y173 HydrophobicContact CG-CE1 4.25Å; R154-Y173 HydrophobicContact CG-CE2 4.04Å; R154-Y173 WeakPolarHBondContact CG-OH 3.28Å; R154-Y173 PolarHBondContact NE-OH 2.9Å; R154-E214 IonicContact CZ-OE1 3.01Å; R154-E214 IonicContact CZ-OE2 3.56Å; R154-E214 IonicContact NE-OE1 2.7Å; R154-E214 PolarHBondContact NE-OE1 3.43Å; R154-E214 IonicContact NE-OE2 3.87Å; R154-E214 IonicContact NH2-OE1 2.72Å; R154-E214 PolarHBondContact NH2-OE1 3.46Å; R154-E214 IonicContact NH2-OE2 3.08Å; R154-E214 PolarHBondContact NH2-OE2 3.23Å; R154-E214 VanDerWaalsContact NH2-OE2 3.14Å
155	Q	91.8	Very high	92.4	Very high	75 Å²	75	38 Å²	38	35%	0.35	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-41.4	-180	-174.9	67.8	-6.7	0	0	111.2	E121 M151 D152 C157 R158	E121-Q155 PolarHBondContact OE1-NE2 2.82Å; M151-Q155 VanDerWaalsContact O-CB 3.3Å; M151-Q155 WeakPolarHBondContact O-CB 3.32Å; M151-Q155 PolarHBondContact O-N 3.11Å; D152-Q155 PolarHBondContact O-N 3.29Å; Q155-C157 VanDerWaalsContact C-N 3.25Å; Q155-C157 PolarHBondContact O-N 2.79Å; Q155-R158 WeakPolarHBondContact O-CB 3.43Å; Q155-R158 PolarHBondContact O-N 2.94Å; Q155-R158 VanDerWaalsContact O-N 3.1Å
156	A	90.3	Very high	92.2	Very high	11 Å²	11	32.3 Å²	32.3	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-35.4	174.5	0	0	0	0	0	112.3	D152 L153 R154 R158 T159 L169	D152-A156 WeakPolarHBondContact O-CB 3.42Å; D152-A156 PolarHBondContact O-N 3.11Å; L153-A156 PolarHBondContact O-N 3.13Å; R154-A156 VanDerWaalsContact C-N 3.33Å; R154-A156 PolarHBondContact O-N 3.41Å; A156-R158 PolarHBondContact O-N 2.84Å; A156-T159 CarbonylContact O-C 3.47Å; A156-T159 PolarHBondContact O-N 2.98Å; A156-L169 HydrophobicContact CB-CD1 4.04Å; A156-L169 HydrophobicContact CB-CD2 3.93Å
157	C	92.8	Very high	92.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.7	177.2	-65.2	0	0	0	0	114.2	L153 R154 Q155 P160 L170 Y173 M218	L153-C157 PolarHBondContact O-N 3.21Å; L153-C157 PolarHBondContact O-SG 3.3Å; R154-C157 WeakPolarHBondContact O-CB 3.34Å; R154-C157 PolarHBondContact O-N 3.02Å; R154-C157 VanDerWaalsContact O-N 3.14Å; Q155-C157 VanDerWaalsContact C-N 3.25Å; Q155-C157 PolarHBondContact O-N 2.79Å; C157-P160 WeakPolarHBondContact O-CD 3.47Å; C157-L170 HydrophobicContact CB-CD2 3.71Å; C157-Y173 WeakPolarHBondContact SG-CB 3.42Å; C157-M218 HydrophobicContact CB-CE 4.28Å; C157-M218 HydrophobicContact CB-SD 4.27Å
158	R	88.7	Confident	91.9	Very high	71 Å²	71	35.1 Å²	35.1	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.7	174.9	-62.9	174.5	68.8	-148.7	2.3	112.5	Q36 T119 E121 Q155 A156	Q36-R158 PolarHBondContact NE2-O 3.37Å; T119-R158 HydrophobicContact CG2-CG 3.71Å; T119-R158 PolarHBondContact O-NE 3.29Å; T119-R158 VanDerWaalsContact O-NE 3.12Å; T119-R158 PolarHBondContact O-NH2 3.41Å; E121-R158 IonicContact OE1-CZ 2.73Å; E121-R158 IonicContact OE1-NH1 3.71Å; E121-R158 PolarHBondContact OE1-NH1 3.11Å; Q155-R158 WeakPolarHBondContact O-CB 3.43Å; Q155-R158 PolarHBondContact O-N 2.94Å; Q155-R158 VanDerWaalsContact O-N 3.1Å; A156-R158 PolarHBondContact O-N 2.84Å
159	T	86.1	Confident	91.9	Very high	29 Å²	29	34.1 Å²	34.1	18%	0.178	17%	0.172	C	C	.	.	S	Bend	trans	-132.7	56.9	178.4	56.2	0	0	0	0	111.7	C24 P26 A156	C24-T159 PolarHBondContact N-O 3.16Å; C24-T159 PolarHBondContact O-OG1 3.41Å; C24-T159 VanDerWaalsContact O-OG1 3.09Å; P26-T159 HydrophobicContact CB-CG2 4.34Å; A156-T159 CarbonylContact O-C 3.47Å; A156-T159 PolarHBondContact O-N 2.98Å
160	P	90.3	Very high	91.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.164	C	C	.	.			trans	-64.8	149.8	-176.6	31.1	-35.5	0	0	0	110.7	L116 C157 R162 L169 L170 L225	L116-P160 HydrophobicContact CD1-CG 4.02Å; C157-P160 WeakPolarHBondContact O-CD 3.47Å; P160-R162 VanDerWaalsContact O-CD 3.29Å; P160-R162 WeakPolarHBondContact O-CD 3.36Å; P160-R162 PolarHBondContact O-NH1 3.11Å; P160-L169 HydrophobicContact CB-CD2 4.33Å; P160-L170 HydrophobicContact CB-CD2 4.26Å; P160-L170 HydrophobicContact CB-CG 4.31Å; P160-L170 HydrophobicContact CG-CD2 4.32Å; P160-L225 HydrophobicContact CB-CD1 4.03Å; P160-L225 HydrophobicContact CG-CD1 4.06Å; P160-L225 HydrophobicContact CG-CD2 4.32Å
161	S	88.7	Confident	91.8	Very high	21 Å²	21	32.7 Å²	32.7	15%	0.147	17%	0.165	C	C	.	.			trans	-61.7	149.2	171.3	41.3	0	0	0	0	111.4	C24 N163 T165 G166	C24-S161 WeakPolarHBondContact SG-CA 3.5Å; S161-N163 VanDerWaalsContact CB-OD1 3.31Å; S161-N163 WeakPolarHBondContact CB-OD1 3.47Å; S161-N163 PolarHBondContact O-N 3.47Å; S161-N163 VanDerWaalsContact O-N 3.08Å; S161-N163 PolarHBondContact OG-OD1 3.46Å; S161-N163 VanDerWaalsContact OG-OD1 3.07Å; S161-T165 PolarHBondContact OG-OG1 3.07Å; S161-G166 WeakPolarHBondContact O-CA 3.46Å; S161-G166 VanDerWaalsContact OG-CA 3.24Å; S161-G166 WeakPolarHBondContact OG-CA 3.4Å; S161-G166 PolarHBondContact OG-N 3.03Å
162	R	86.9	Confident	91.8	Very high	32 Å²	32	33.5 Å²	33.5	12%	0.121	17%	0.167	C	C	.	.	S	Bend	trans	-89.6	50.6	-175	-75.5	59.1	173	176.8	-1.7	109.8	P160 L225 R232	P160-R162 VanDerWaalsContact O-CD 3.29Å; P160-R162 WeakPolarHBondContact O-CD 3.36Å; P160-R162 PolarHBondContact O-NH1 3.11Å; R162-L225 HydrophobicContact CG-CD2 4.44Å; R162-R232 PolarHBondContact O-NH1 3.43Å; R162-R232 PolarHBondContact O-NH2 3.1Å
163	N	89.4	Confident	91.9	Very high	50 Å²	50	28.8 Å²	28.8	27%	0.267	14%	0.142	S	C	.	.	S	Bend	trans	-157.5	-178.3	-176.5	62.4	11.3	0	0	0	109	S161 T165 G166 V167	S161-N163 VanDerWaalsContact CB-OD1 3.31Å; S161-N163 WeakPolarHBondContact CB-OD1 3.47Å; S161-N163 PolarHBondContact O-N 3.47Å; S161-N163 VanDerWaalsContact O-N 3.08Å; S161-N163 PolarHBondContact OG-OD1 3.46Å; S161-N163 VanDerWaalsContact OG-OD1 3.07Å; N163-T165 PolarHBondContact O-N 3.33Å; N163-T165 VanDerWaalsContact O-N 3.16Å; N163-T165 PolarHBondContact OD1-N 3.01Å; N163-T165 PolarHBondContact OD1-OG1 2.82Å; N163-G166 PolarHBondContact O-N 3.36Å; N163-G166 PolarHBondContact OD1-N 3.4Å; N163-V167 PolarHBondContact O-N 2.97Å
164	E	90.5	Very high	92	Very high	67 Å²	67	30.3 Å²	30.3	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-56.1	-35.5	-177.5	-153.4	65.1	-162	0	0	112.7	G166 V167 E168 Y226 R250	E164-G166 PolarHBondContact O-N 3.39Å; E164-V167 WeakPolarHBondContact O-CA 3.47Å; E164-V167 WeakPolarHBondContact O-CB 3.49Å; E164-V167 PolarHBondContact O-N 3.31Å; E164-E168 WeakPolarHBondContact O-CG 3.28Å; E164-E168 PolarHBondContact O-N 2.9Å; E164-Y226 PolarHBondContact OE1-OH 2.9Å; E164-Y226 WeakPolarHBondContact OE2-CE1 3.49Å; E164-R250 IonicContact OE1-NH1 2.65Å
165	T	91.1	Very high	91.9	Very high	57 Å²	57	31.2 Å²	31.2	35%	0.35	16%	0.155	S	C	.	.	H	α-helix	trans	-61.8	-29.3	177.2	70.6	0	0	0	0	113.2	S161 N163 L169	S161-T165 PolarHBondContact OG-OG1 3.07Å; N163-T165 PolarHBondContact O-N 3.33Å; N163-T165 VanDerWaalsContact O-N 3.16Å; N163-T165 PolarHBondContact OD1-N 3.01Å; N163-T165 PolarHBondContact OD1-OG1 2.82Å; T165-L169 PolarHBondContact O-N 2.99Å; T165-L169 VanDerWaalsContact O-N 3.11Å
166	G	92.4	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-76.6	-34.1	175	0	0	0	0	0	112	S161 N163 E164 L169 L170	S161-G166 WeakPolarHBondContact O-CA 3.46Å; S161-G166 VanDerWaalsContact OG-CA 3.24Å; S161-G166 WeakPolarHBondContact OG-CA 3.4Å; S161-G166 PolarHBondContact OG-N 3.03Å; N163-G166 PolarHBondContact O-N 3.36Å; N163-G166 PolarHBondContact OD1-N 3.4Å; E164-G166 PolarHBondContact O-N 3.39Å; G166-L169 WeakPolarHBondContact O-CB 3.5Å; G166-L169 PolarHBondContact O-N 3.44Å; G166-L170 WeakPolarHBondContact O-CG 3.5Å; G166-L170 PolarHBondContact O-N 2.99Å; G166-L170 VanDerWaalsContact O-N 3.12Å
167	V	94.2	Very high	92.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-45.7	171.8	-177.7	0	0	0	0	110.3	N163 E164 L169 L170 A171 M222 L225 Y226 I229	N163-V167 PolarHBondContact O-N 2.97Å; E164-V167 WeakPolarHBondContact O-CA 3.47Å; E164-V167 WeakPolarHBondContact O-CB 3.49Å; E164-V167 PolarHBondContact O-N 3.31Å; V167-L169 VanDerWaalsContact C-N 3.28Å; V167-L169 PolarHBondContact O-N 3.03Å; V167-L170 PolarHBondContact O-N 3.45Å; V167-A171 WeakPolarHBondContact O-CB 3.25Å; V167-A171 PolarHBondContact O-N 3.24Å; V167-M222 HydrophobicContact CG1-CG 4.32Å; V167-L225 HydrophobicContact CG2-CB 3.84Å; V167-L225 HydrophobicContact CG2-CD1 4.03Å; V167-Y226 HydrophobicContact CG1-CE2 3.74Å; V167-Y226 HydrophobicContact CG2-CD1 4.48Å; V167-Y226 HydrophobicContact CG2-CE1 4.2Å; V167-Y226 HydrophobicContact CG2-CE2 4.4Å; V167-I229 HydrophobicContact CG2-CD1 4.18Å
168	E	92.8	Very high	92.4	Very high	87 Å²	87	29.7 Å²	29.7	41%	0.407	15%	0.15	S	C	.	.	H	α-helix	trans	-57	-40.8	174.7	-71.3	175.5	176.7	0	0	112.2	R21 E164 A171 K172	R21-E168 IonicContact NH1-OE2 3.77Å; R21-E168 PolarHBondContact NH1-OE2 3.39Å; E164-E168 WeakPolarHBondContact O-CG 3.28Å; E164-E168 PolarHBondContact O-N 2.9Å; E168-A171 PolarHBondContact O-N 3.34Å; E168-K172 VanDerWaalsContact O-CB 3.3Å; E168-K172 WeakPolarHBondContact O-CB 3.47Å; E168-K172 PolarHBondContact O-N 3.35Å
169	L	93.7	Very high	92.7	Very high	20 Å²	20	28.1 Å²	28.1	11%	0.105	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-48.8	176.1	174.9	65.2	0	0	0	111.7	L153 A156 P160 T165 G166 V167 K172 Y173	L153-L169 HydrophobicContact CD1-CD1 3.72Å; A156-L169 HydrophobicContact CB-CD1 4.04Å; A156-L169 HydrophobicContact CB-CD2 3.93Å; P160-L169 HydrophobicContact CB-CD2 4.33Å; T165-L169 PolarHBondContact O-N 2.99Å; T165-L169 VanDerWaalsContact O-N 3.11Å; G166-L169 WeakPolarHBondContact O-CB 3.5Å; G166-L169 PolarHBondContact O-N 3.44Å; V167-L169 VanDerWaalsContact C-N 3.28Å; V167-L169 PolarHBondContact O-N 3.03Å; L169-K172 PolarHBondContact O-N 3.43Å; L169-Y173 PolarHBondContact O-N 3.49Å; L169-Y173 VanDerWaalsContact O-N 3.15Å
170	L	95.4	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-42.5	177.3	-64.1	-176.2	0	0	0	111.5	C157 P160 G166 V167 Y173 Y174 M218 N221 M222 L225	C157-L170 HydrophobicContact CB-CD2 3.71Å; P160-L170 HydrophobicContact CB-CD2 4.26Å; P160-L170 HydrophobicContact CB-CG 4.31Å; P160-L170 HydrophobicContact CG-CD2 4.32Å; G166-L170 WeakPolarHBondContact O-CG 3.5Å; G166-L170 PolarHBondContact O-N 2.99Å; G166-L170 VanDerWaalsContact O-N 3.12Å; V167-L170 PolarHBondContact O-N 3.45Å; L170-Y173 PolarHBondContact O-N 2.95Å; L170-Y174 VanDerWaalsContact O-CB 3.31Å; L170-Y174 WeakPolarHBondContact O-CB 3.24Å; L170-Y174 PolarHBondContact O-N 3.48Å; L170-M218 HydrophobicContact CD2-SD 3.86Å; L170-N221 HydrophobicContact CD1-CB 3.72Å; L170-M222 HydrophobicContact CB-CG 3.6Å; L170-M222 HydrophobicContact CB-SD 4.22Å; L170-M222 HydrophobicContact CD1-CG 3.86Å; L170-M222 HydrophobicContact CG-CG 4.4Å; L170-L225 HydrophobicContact CD1-CD1 3.59Å; L170-L225 HydrophobicContact CD1-CG 4.28Å; L170-L225 HydrophobicContact CG-CD1 4.27Å
171	A	95.1	Very high	93.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-41.5	177.4	0	0	0	0	0	111.9	V167 E168 Y174 S175 M222 A486 V489	V167-A171 WeakPolarHBondContact O-CB 3.25Å; V167-A171 PolarHBondContact O-N 3.24Å; E168-A171 PolarHBondContact O-N 3.34Å; A171-Y174 PolarHBondContact O-N 2.91Å; A171-S175 PolarHBondContact O-N 3.3Å; A171-S175 PolarHBondContact O-OG 3.17Å; A171-M222 HydrophobicContact CB-SD 3.97Å; A171-A486 WeakPolarHBondContact CB-O 3.45Å; A171-V489 HydrophobicContact CB-CG2 3.95Å
172	K	94.3	Very high	93.6	Very high	75 Å²	75	30.8 Å²	30.8	33%	0.326	16%	0.156	S	C	.	.	H	α-helix	trans	-58.8	-51.7	175.8	-176.5	176.8	-179.4	176.4	0	110.9	L153 E168 L169 Y174 S175 H176 V491	L153-K172 HydrophobicContact CD1-CD 4.28Å; L153-K172 HydrophobicContact CD1-CG 4.47Å; L153-K172 HydrophobicContact CD2-CG 4.44Å; E168-K172 VanDerWaalsContact O-CB 3.3Å; E168-K172 WeakPolarHBondContact O-CB 3.47Å; E168-K172 PolarHBondContact O-N 3.35Å; L169-K172 PolarHBondContact O-N 3.43Å; K172-Y174 PolarHBondContact O-N 2.94Å; K172-S175 PolarHBondContact O-N 3.23Å; K172-H176 PolarHBondContact O-CD2 2.78Å; K172-H176 PolarHBondContact O-N 2.98Å; K172-V491 HydrophobicContact CG-CG1 3.95Å
173	Y	96.4	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-44.5	177.3	177.5	-113.7	0	0	0	111.8	L150 L153 R154 C157 L169 L170 S175 H176 L177 E214 M218	L150-Y173 HydrophobicContact CD1-CD2 4.37Å; L150-Y173 HydrophobicContact CD1-CE2 3.97Å; L153-Y173 HydrophobicContact CD2-CD2 4.13Å; L153-Y173 HydrophobicContact CG-CD2 4.08Å; L153-Y173 HydrophobicContact CG-CG 4.49Å; R154-Y173 HydrophobicContact CB-CD2 4.33Å; R154-Y173 HydrophobicContact CB-CE2 3.73Å; R154-Y173 WeakPolarHBondContact CD-OH 3.45Å; R154-Y173 HydrophobicContact CG-CE1 4.25Å; R154-Y173 HydrophobicContact CG-CE2 4.04Å; R154-Y173 WeakPolarHBondContact CG-OH 3.28Å; R154-Y173 PolarHBondContact NE-OH 2.9Å; C157-Y173 WeakPolarHBondContact SG-CB 3.42Å; L169-Y173 PolarHBondContact O-N 3.49Å; L169-Y173 VanDerWaalsContact O-N 3.15Å; L170-Y173 PolarHBondContact O-N 2.95Å; Y173-S175 VanDerWaalsContact C-N 3.29Å; Y173-S175 PolarHBondContact O-N 3.46Å; Y173-H176 WeakPolarHBondContact O-CB 3.27Å; Y173-H176 PolarHBondContact O-N 3.33Å; Y173-L177 HydrophobicContact CD1-CD1 4.46Å; Y173-L177 HydrophobicContact CD1-CD2 4.39Å; Y173-L177 HydrophobicContact CD1-CG 4.5Å; Y173-L177 HydrophobicContact CD2-CD2 4.43Å; Y173-L177 HydrophobicContact CE1-CD1 4.11Å; Y173-L177 HydrophobicContact CE1-CD2 3.75Å; Y173-L177 HydrophobicContact CE1-CG 4.22Å; Y173-L177 HydrophobicContact CE2-CD2 3.79Å; Y173-L177 VanDerWaalsContact CZ-CD2 3.42Å; Y173-L177 WeakPolarHBondContact O-CG 3.48Å; Y173-L177 PolarHBondContact O-N 2.93Å; Y173-E214 HydrophobicContact CE1-CG 4.06Å; Y173-E214 VanDerWaalsContact CE1-OE1 3.25Å; Y173-E214 WeakPolarHBondContact CE1-OE1 3.34Å; Y173-E214 PolarHBondContact OH-OE1 2.99Å; Y173-M218 HydrophobicContact CD1-CE 4Å; Y173-M218 HydrophobicContact CD1-CG 3.84Å; Y173-M218 HydrophobicContact CD1-SD 3.65Å; Y173-M218 HydrophobicContact CE1-CE 3.89Å; Y173-M218 HydrophobicContact CE1-CG 4.08Å; Y173-M218 HydrophobicContact CE1-SD 4.11Å
174	Y	95.6	Very high	94.2	Very high	33 Å²	33	27 Å²	27	13%	0.129	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-42.5	175.1	177.1	-94.5	0	0	0	112.4	L170 A171 K172 H176 L177 P178 K215 M218 V219 M222 F262 T487	L170-Y174 VanDerWaalsContact O-CB 3.31Å; L170-Y174 WeakPolarHBondContact O-CB 3.24Å; L170-Y174 PolarHBondContact O-N 3.48Å; A171-Y174 PolarHBondContact O-N 2.91Å; K172-Y174 PolarHBondContact O-N 2.94Å; Y174-H176 VanDerWaalsContact C-N 3.28Å; Y174-H176 PolarHBondContact O-N 3.44Å; Y174-L177 WeakPolarHBondContact O-CB 3.48Å; Y174-L177 PolarHBondContact O-N 3.27Å; Y174-P178 WeakPolarHBondContact O-CD 3.35Å; Y174-K215 HydrophobicContact CD2-CB 4.4Å; Y174-K215 HydrophobicContact CE2-CB 4Å; Y174-K215 HydrophobicContact CE2-CG 4.39Å; Y174-M218 HydrophobicContact CD2-CB 4.19Å; Y174-V219 HydrophobicContact CD2-CG2 3.96Å; Y174-V219 HydrophobicContact CE2-CG2 3.48Å; Y174-V219 VanDerWaalsContact CE2-CG2 3.48Å; Y174-M222 HydrophobicContact CG-CE 4.25Å; Y174-F262 HydrophobicContact CE2-CZ 4.43Å; Y174-T487 HydrophobicContact CE1-CG2 4.5Å
175	S	94.5	Very high	94.2	Very high	24 Å²	24	25 Å²	25	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-64.3	-27.2	175.8	-71.2	0	0	0	0	113.8	A171 K172 Y173 V489	A171-S175 PolarHBondContact O-N 3.3Å; A171-S175 PolarHBondContact O-OG 3.17Å; K172-S175 PolarHBondContact O-N 3.23Å; Y173-S175 VanDerWaalsContact C-N 3.29Å; Y173-S175 PolarHBondContact O-N 3.46Å; S175-V489 WeakPolarHBondContact CB-O 3.36Å; S175-V489 PolarHBondContact OG-O 2.97Å
176	H	95.4	Very high	93.9	Very high	4 Å²	4	23 Å²	23	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-77.9	-26.6	174.1	-76	-82	0	0	0	112.9	K172 Y173 Y174 L179 I180 T492 F494	K172-H176 PolarHBondContact O-CD2 2.78Å; K172-H176 PolarHBondContact O-N 2.98Å; Y173-H176 WeakPolarHBondContact O-CB 3.27Å; Y173-H176 PolarHBondContact O-N 3.33Å; Y174-H176 VanDerWaalsContact C-N 3.28Å; Y174-H176 PolarHBondContact O-N 3.44Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 2.94Å; H176-I180 HydrophobicContact CB-CD1 4.04Å; H176-I180 WeakPolarHBondContact O-CG1 3.39Å; H176-I180 PolarHBondContact O-N 3.39Å; H176-T492 PolarHBondContact CE1-O 3.43Å; H176-F494 AromaticContact CE1-CD2 3.74Å; H176-F494 AromaticContact CE1-CE2 3.34Å; H176-F494 WeakPolarHBondContact CE1-CE2 3.22Å; H176-F494 AromaticContact CE1-CZ 3.56Å; H176-F494 AromaticContact ND1-CD2 3.74Å; H176-F494 AromaticContact ND1-CE2 3.62Å; H176-F494 AromaticContact NE2-CE2 3.64Å; H176-F494 AromaticContact NE2-CZ 3.66Å
177	L	95.4	Very high	93.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-41.5	-174.5	-64.4	-178.6	0	0	0	114.2	Y173 Y174 L179 I180 E181 L211 E214 K215 M218	Y173-L177 HydrophobicContact CD1-CD1 4.46Å; Y173-L177 HydrophobicContact CD1-CD2 4.39Å; Y173-L177 HydrophobicContact CD1-CG 4.5Å; Y173-L177 HydrophobicContact CD2-CD2 4.43Å; Y173-L177 HydrophobicContact CE1-CD1 4.11Å; Y173-L177 HydrophobicContact CE1-CD2 3.75Å; Y173-L177 HydrophobicContact CE1-CG 4.22Å; Y173-L177 HydrophobicContact CE2-CD2 3.79Å; Y173-L177 VanDerWaalsContact CZ-CD2 3.42Å; Y173-L177 WeakPolarHBondContact O-CG 3.48Å; Y173-L177 PolarHBondContact O-N 2.93Å; Y174-L177 WeakPolarHBondContact O-CB 3.48Å; Y174-L177 PolarHBondContact O-N 3.27Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 3.14Å; L177-I180 HydrophobicContact CD2-CD1 4.26Å; L177-I180 PolarHBondContact O-N 3.13Å; L177-E181 VanDerWaalsContact O-CB 3.29Å; L177-E181 WeakPolarHBondContact O-CB 3.44Å; L177-E181 PolarHBondContact O-N 3.03Å; L177-L211 HydrophobicContact CB-CD2 3.98Å; L177-L211 HydrophobicContact CD2-CD2 3.86Å; L177-L211 HydrophobicContact CG-CD2 4.41Å; L177-E214 HydrophobicContact CD1-CB 4.47Å; L177-E214 HydrophobicContact CD1-CG 3.91Å; L177-E214 HydrophobicContact CD2-CG 4.23Å; L177-K215 HydrophobicContact CB-CD 4.46Å; L177-K215 HydrophobicContact CB-CG 3.9Å; L177-K215 HydrophobicContact CD1-CB 4.23Å; L177-K215 HydrophobicContact CD1-CG 3.49Å; L177-K215 VanDerWaalsContact CD1-CG 3.49Å; L177-K215 HydrophobicContact CG-CG 4.34Å; L177-M218 HydrophobicContact CD1-CG 4.43Å
178	P	93.7	Very high	92.4	Very high	50 Å²	50	33.8 Å²	33.8	33%	0.325	19%	0.185	S	C	.	.	H	α-helix	trans	-62.8	-35.2	173.5	-24	34.6	0	0	0	113.9	Y174 N182	Y174-P178 WeakPolarHBondContact O-CD 3.35Å; P178-N182 WeakPolarHBondContact O-CB 3.45Å; P178-N182 PolarHBondContact O-N 3.28Å; P178-N182 PolarHBondContact O-ND2 3.33Å
179	L	95.3	Very high	91.8	Very high	38 Å²	38	33.7 Å²	33.7	20%	0.199	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-49.1	177.2	-56	173.6	0	0	0	109.6	H176 L177 E181 N182 R183 V491 D493 L501	H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 2.94Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 3.14Å; L179-E181 VanDerWaalsContact C-N 3.35Å; L179-E181 PolarHBondContact O-N 3.41Å; L179-N182 PolarHBondContact O-N 3.38Å; L179-R183 WeakPolarHBondContact O-CG 3.26Å; L179-R183 PolarHBondContact O-N 2.99Å; L179-V491 HydrophobicContact CD1-CG2 3.88Å; L179-D493 HydrophobicContact CD1-CB 3.95Å; L179-L501 HydrophobicContact CD2-CD1 3.52Å
180	I	95.4	Very high	91.1	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-45.3	177.4	-64	160	0	0	0	111.1	F128 L150 H176 L177 N182 R183 F184 F185	F128-I180 HydrophobicContact CE2-CG2 4.18Å; F128-I180 HydrophobicContact CZ-CG2 3.74Å; L150-I180 HydrophobicContact CD1-CD1 3.36Å; L150-I180 HydrophobicContact CD1-CG1 4.42Å; L150-I180 HydrophobicContact CD2-CD1 3.77Å; L150-I180 HydrophobicContact CD2-CG1 4.15Å; L150-I180 HydrophobicContact CG-CD1 4.22Å; H176-I180 HydrophobicContact CB-CD1 4.04Å; H176-I180 WeakPolarHBondContact O-CG1 3.39Å; H176-I180 PolarHBondContact O-N 3.39Å; L177-I180 HydrophobicContact CD2-CD1 4.26Å; L177-I180 PolarHBondContact O-N 3.13Å; I180-N182 PolarHBondContact O-N 3.48Å; I180-R183 PolarHBondContact O-N 3.42Å; I180-R183 VanDerWaalsContact O-N 3.16Å; I180-F184 HydrophobicContact CG2-CD2 4.17Å; I180-F184 PolarHBondContact O-N 3.17Å; I180-F185 HydrophobicContact CG2-CD2 4.45Å; I180-F185 HydrophobicContact CG2-CE2 3.97Å
181	E	94.3	Very high	90.3	Very high	56 Å²	56	41.2 Å²	41.2	26%	0.262	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-48.2	177	-176.6	175.2	-132.2	0	0	111.2	L177 L179 R183 F185 L211 K215	L177-E181 VanDerWaalsContact O-CB 3.29Å; L177-E181 WeakPolarHBondContact O-CB 3.44Å; L177-E181 PolarHBondContact O-N 3.03Å; L179-E181 VanDerWaalsContact C-N 3.35Å; L179-E181 PolarHBondContact O-N 3.41Å; E181-R183 VanDerWaalsContact C-N 3.25Å; E181-R183 PolarHBondContact O-N 3.1Å; E181-F185 HydrophobicContact CG-CB 4.2Å; E181-F185 WeakPolarHBondContact O-CB 3.35Å; E181-F185 PolarHBondContact O-N 3.1Å; E181-L211 HydrophobicContact CB-CD1 4.12Å; E181-L211 HydrophobicContact CB-CD2 4.29Å; E181-L211 HydrophobicContact CG-CD1 4.24Å; E181-K215 IonicContact OE1-NZ 2.76Å; E181-K215 IonicContact OE2-NZ 2.65Å; E181-K215 PolarHBondContact OE2-NZ 3.38Å
182	N	93.8	Very high	89.7	Confident	44 Å²	44	43.3 Å²	43.3	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-25.7	178.6	-74.2	-40.3	0	0	0	113	P178 L179 I180 L501 S505 A506 K507	P178-N182 WeakPolarHBondContact O-CB 3.45Å; P178-N182 PolarHBondContact O-N 3.28Å; P178-N182 PolarHBondContact O-ND2 3.33Å; L179-N182 PolarHBondContact O-N 3.38Å; I180-N182 PolarHBondContact O-N 3.48Å; N182-L501 HydrophobicContact CB-CD2 4.19Å; N182-S505 CarbonylContact O-C 3.27Å; N182-S505 WeakPolarHBondContact O-CA 3.32Å; N182-S505 WeakPolarHBondContact O-CB 3.4Å; N182-A506 WeakPolarHBondContact O-CB 3.33Å; N182-A506 PolarHBondContact O-N 2.72Å; N182-K507 WeakPolarHBondContact OD1-CE 3.4Å; N182-K507 PolarHBondContact OD1-NZ 3.1Å
183	R	94.9	Very high	89.6	Confident	1 Å²	1	40 Å²	40	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-85.7	-37.2	179.9	-73.1	-167.8	179.4	-72.5	-2.2	115	F131 Y136 L179 I180 E181 D493 F495 G499 L501 A506	F131-R183 VanDerWaalsContact CE1-O 3.22Å; F131-R183 WeakPolarHBondContact CE1-O 3.43Å; Y136-R183 WeakPolarHBondContact OH-CA 3.34Å; Y136-R183 PolarHBondContact OH-O 3.17Å; L179-R183 WeakPolarHBondContact O-CG 3.26Å; L179-R183 PolarHBondContact O-N 2.99Å; I180-R183 PolarHBondContact O-N 3.42Å; I180-R183 VanDerWaalsContact O-N 3.16Å; E181-R183 VanDerWaalsContact C-N 3.25Å; E181-R183 PolarHBondContact O-N 3.1Å; R183-D493 IonicContact CZ-OD1 3.39Å; R183-D493 IonicContact CZ-OD2 3.81Å; R183-D493 IonicContact NE-OD1 2.83Å; R183-D493 PolarHBondContact NE-OD1 2.76Å; R183-D493 IonicContact NE-OD2 3.42Å; R183-D493 PolarHBondContact NE-OD2 2.7Å; R183-D493 IonicContact NH2-OD1 2.76Å; R183-D493 IonicContact NH2-OD2 2.71Å; R183-D493 PolarHBondContact NH2-OD2 2.99Å; R183-F495 VanDerWaalsContact CD-CB 3.4Å; R183-F495 PolarHBondContact NH1-O 3.17Å; R183-F495 PolarHBondContact NH2-O 2.65Å; R183-G499 PolarHBondContact NH1-O 3.16Å; R183-G499 PolarHBondContact NH2-O 3.02Å; R183-L501 HydrophobicContact CG-CD2 3.52Å; R183-A506 WeakPolarHBondContact O-CB 2.89Å
184	F	94.3	Very high	89.3	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-122.9	-15.8	-167.3	-59.9	-72.6	0	0	0	114	F128 F131 I132 I180 T191 F495 L498	F128-F184 HydrophobicContact CB-CD1 4.37Å; F128-F184 HydrophobicContact CB-CE1 4.17Å; F128-F184 HydrophobicContact CD1-CB 4.08Å; F128-F184 AromaticContact CD1-CD1 3.93Å; F128-F184 HydrophobicContact CD1-CD1 3.93Å; F128-F184 HydrophobicContact CD1-CD2 4.33Å; F128-F184 HydrophobicContact CD1-CE1 4.49Å; F128-F184 AromaticContact CD1-CG 3.84Å; F128-F184 HydrophobicContact CD1-CG 3.84Å; F128-F184 HydrophobicContact CD2-CD1 4.35Å; F128-F184 AromaticContact CD2-CD2 3.96Å; F128-F184 HydrophobicContact CD2-CD2 3.96Å; F128-F184 HydrophobicContact CD2-CE1 4.23Å; F128-F184 AromaticContact CD2-CE2 3.82Å; F128-F184 HydrophobicContact CD2-CE2 3.82Å; F128-F184 HydrophobicContact CD2-CG 4.23Å; F128-F184 AromaticContact CD2-CZ 3.96Å; F128-F184 HydrophobicContact CD2-CZ 3.96Å; F128-F184 HydrophobicContact CE1-CB 3.64Å; F128-F184 HydrophobicContact CE1-CD1 4.27Å; F128-F184 AromaticContact CE1-CD2 3.99Å; F128-F184 HydrophobicContact CE1-CD2 3.99Å; F128-F184 AromaticContact CE1-CG 3.7Å; F128-F184 HydrophobicContact CE1-CG 3.7Å; F128-F184 AromaticContact CE2-CD2 3.6Å; F128-F184 HydrophobicContact CE2-CD2 3.6Å; F128-F184 AromaticContact CE2-CE2 3.74Å; F128-F184 HydrophobicContact CE2-CE2 3.74Å; F128-F184 HydrophobicContact CE2-CG 4.1Å; F128-F184 HydrophobicContact CE2-CZ 4.35Å; F128-F184 AromaticContact CG-CD1 3.98Å; F128-F184 HydrophobicContact CG-CD1 3.98Å; F128-F184 HydrophobicContact CG-CD2 4.32Å; F128-F184 HydrophobicContact CG-CE1 4.07Å; F128-F184 HydrophobicContact CG-CE2 4.4Å; F128-F184 HydrophobicContact CG-CG 4.12Å; F128-F184 HydrophobicContact CG-CZ 4.27Å; F128-F184 HydrophobicContact CZ-CB 4.04Å; F128-F184 AromaticContact CZ-CD2 3.63Å; F128-F184 HydrophobicContact CZ-CD2 3.63Å; F128-F184 HydrophobicContact CZ-CE2 4.26Å; F128-F184 AromaticContact CZ-CG 3.86Å; F128-F184 HydrophobicContact CZ-CG 3.86Å; F131-F184 HydrophobicContact CB-CD1 4.27Å; F131-F184 AromaticContact CD1-CD1 3.72Å; F131-F184 HydrophobicContact CD1-CD1 3.72Å; F131-F184 HydrophobicContact CD1-CE1 4.39Å; F131-F184 HydrophobicContact CE1-CD1 4.39Å; F131-F184 WeakPolarHBondContact CE2-O 3.29Å; F131-F184 HydrophobicContact CG-CD1 4.16Å; I132-F184 HydrophobicContact CD1-CE1 4.2Å; I132-F184 HydrophobicContact CD1-CZ 4.47Å; I132-F184 HydrophobicContact CG1-CE1 3.85Å; I132-F184 HydrophobicContact CG1-CZ 4.5Å; I180-F184 HydrophobicContact CG2-CD2 4.17Å; I180-F184 PolarHBondContact O-N 3.17Å; F184-T191 WeakPolarHBondContact O-CG2 3.32Å; F184-F495 HydrophobicContact CE2-CD1 4.2Å; F184-F495 AromaticContact CE2-CD2 3.58Å; F184-F495 HydrophobicContact CE2-CD2 3.58Å; F184-F495 HydrophobicContact CE2-CE1 4.26Å; F184-F495 AromaticContact CE2-CE2 3.65Å; F184-F495 HydrophobicContact CE2-CE2 3.65Å; F184-F495 AromaticContact CE2-CG 3.87Å; F184-F495 HydrophobicContact CE2-CG 3.87Å; F184-F495 HydrophobicContact CE2-CZ 4Å; F184-F495 HydrophobicContact CZ-CB 4.42Å; F184-F495 AromaticContact CZ-CD1 3.69Å; F184-F495 HydrophobicContact CZ-CD1 3.69Å; F184-F495 AromaticContact CZ-CD2 3.95Å; F184-F495 HydrophobicContact CZ-CD2 3.95Å; F184-F495 AromaticContact CZ-CE1 3.83Å; F184-F495 HydrophobicContact CZ-CE1 3.83Å; F184-F495 HydrophobicContact CZ-CE2 4.08Å; F184-F495 AromaticContact CZ-CG 3.75Å; F184-F495 HydrophobicContact CZ-CG 3.75Å; F184-F495 HydrophobicContact CZ-CZ 4.03Å; F184-L498 HydrophobicContact CE1-CD1 4.45Å; F184-L498 HydrophobicContact CZ-CD1 4.21Å
185	F	91.4	Very high	89.1	Confident	26 Å²	26	41 Å²	41	11%	0.114	23%	0.229	C	C	.	.			trans	-108.3	89.6	-172.9	-67.3	-102.6	0	0	0	111	F128 I180 E181 T191 I193 F195 L211	F128-F185 HydrophobicContact CE1-CE2 4.14Å; F128-F185 HydrophobicContact CZ-CE2 4.21Å; I180-F185 HydrophobicContact CG2-CD2 4.45Å; I180-F185 HydrophobicContact CG2-CE2 3.97Å; E181-F185 HydrophobicContact CG-CB 4.2Å; E181-F185 WeakPolarHBondContact O-CB 3.35Å; E181-F185 PolarHBondContact O-N 3.1Å; F185-T191 HydrophobicContact CD1-CG2 3.85Å; F185-T191 HydrophobicContact CE1-CG2 4.07Å; F185-T191 WeakPolarHBondContact CE1-OG1 3.29Å; F185-T191 HydrophobicContact CG-CG2 4.18Å; F185-I193 HydrophobicContact CE1-CD1 4.48Å; F185-I193 HydrophobicContact CE2-CD1 4.47Å; F185-I193 HydrophobicContact CZ-CB 4.41Å; F185-I193 HydrophobicContact CZ-CD1 3.8Å; F185-F195 HydrophobicContact CE1-CE2 4.1Å; F185-F195 HydrophobicContact CZ-CE2 4.08Å; F185-F195 HydrophobicContact CZ-CZ 4.07Å; F185-L211 HydrophobicContact CB-CD1 4.28Å; F185-L211 HydrophobicContact CD1-CD1 3.48Å; F185-L211 VanDerWaalsContact CD1-CD1 3.48Å; F185-L211 HydrophobicContact CD2-CD1 3.46Å; F185-L211 VanDerWaalsContact CD2-CD1 3.46Å; F185-L211 HydrophobicContact CE1-CD1 3.51Å; F185-L211 HydrophobicContact CE2-CD1 3.52Å; F185-L211 HydrophobicContact CG-CD1 3.44Å; F185-L211 VanDerWaalsContact CG-CD1 3.44Å; F185-L211 HydrophobicContact CZ-CD1 3.54Å; F185-L211 HydrophobicContact CZ-CG 4.49Å
186	S	84.8	Confident	88.9	Confident	15 Å²	15	40.5 Å²	40.5	11%	0.105	23%	0.225	C	C	.	.			trans	-81.3	138.7	173.7	-170.3	0	0	0	0	111.3	T188 R189 A506	S186-T188 PolarHBondContact O-N 3.39Å; S186-T188 VanDerWaalsContact O-N 3.1Å; S186-T188 PolarHBondContact OG-N 2.68Å; S186-T188 PolarHBondContact OG-OG1 3.13Å; S186-T188 VanDerWaalsContact OG-OG1 3.13Å; S186-R189 PolarHBondContact O-N 3.04Å; S186-A506 WeakPolarHBondContact CB-O 3.38Å; S186-A506 PolarHBondContact OG-O 2.63Å
187	P	77	Confident	88.8	Confident	117 Å²	117	40.3 Å²	40.3	76%	0.76	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.2	173	-23.1	33.4	0	0	0	113.9
188	T	77.9	Confident	88.5	Confident	110 Å²	110	41.1 Å²	41.1	68%	0.675	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.7	-174.8	64.2	0	0	0	0	113.8	S186	S186-T188 PolarHBondContact O-N 3.39Å; S186-T188 VanDerWaalsContact O-N 3.1Å; S186-T188 PolarHBondContact OG-N 2.68Å; S186-T188 PolarHBondContact OG-OG1 3.13Å; S186-T188 VanDerWaalsContact OG-OG1 3.13Å
189	R	79.1	Confident	88.2	Confident	86 Å²	86	38.9 Å²	38.9	33%	0.325	21%	0.213	S	C	.	.	S	Bend	trans	-128.5	132.9	-174	-177.2	178.3	172.1	161	9.9	110.6	E134 S186	E134-R189 IonicContact OE1-NH2 2.7Å; E134-R189 IonicContact OE2-CZ 2.64Å; E134-R189 IonicContact OE2-NH1 3.13Å; E134-R189 PolarHBondContact OE2-NH1 3.35Å; E134-R189 IonicContact OE2-NH2 2.73Å; E134-R189 PolarHBondContact OE2-NH2 3.17Å; S186-R189 PolarHBondContact O-N 3.04Å
190	Q	78.3	Confident	87.9	Confident	155 Å²	155	37.2 Å²	37.2	72%	0.724	21%	0.205	S	C	*	.			trans	-83.3	123.5	169.8	-65.7	180	6	0	0	108.9	G192	Q190-G192 VanDerWaalsContact C-N 3.29Å; Q190-G192 PolarHBondContact O-N 3.48Å
191	T	79.3	Confident	87.4	Confident	22 Å²	22	37.5 Å²	37.5	14%	0.135	21%	0.206	C	C	.	.			trans	-77.4	-14.5	-179.6	53.1	0	0	0	0	113.2	F184 F185 I193	F184-T191 WeakPolarHBondContact O-CG2 3.32Å; F185-T191 HydrophobicContact CD1-CG2 3.85Å; F185-T191 HydrophobicContact CE1-CG2 4.07Å; F185-T191 WeakPolarHBondContact CE1-OG1 3.29Å; F185-T191 HydrophobicContact CG-CG2 4.18Å; T191-I193 PolarHBondContact O-N 2.88Å
192	G	83.8	Confident	86.8	Confident	45 Å²	45	35.6 Å²	35.6	46%	0.464	20%	0.198	S	C	.	.			trans	73.4	2.2	-174.7	0	0	0	0	0	114.3	Q190 F194	Q190-G192 VanDerWaalsContact C-N 3.29Å; Q190-G192 PolarHBondContact O-N 3.48Å; G192-F194 WeakPolarHBondContact O-CD2 3.44Å; G192-F194 WeakPolarHBondContact O-CE2 3.42Å
193	I	90.5	Very high	86.1	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	19%	0.187	C	C	.	.			trans	-85.6	137.4	176.6	-63.1	161.4	0	0	0	109.6	V122 F124 P127 F128 F185 T191 F195 Q209	V122-I193 HydrophobicContact CG1-CG2 3.73Å; F124-I193 HydrophobicContact CD1-CD1 3.87Å; F124-I193 HydrophobicContact CD1-CG2 4.43Å; F124-I193 HydrophobicContact CE1-CD1 4.35Å; F124-I193 HydrophobicContact CE1-CG2 4.05Å; P127-I193 HydrophobicContact CB-CD1 3.95Å; P127-I193 HydrophobicContact CB-CG1 3.9Å; P127-I193 HydrophobicContact CG-CD1 4.47Å; P127-I193 HydrophobicContact CG-CG1 3.97Å; F128-I193 HydrophobicContact CD1-CD1 3.98Å; F128-I193 HydrophobicContact CE1-CD1 3.41Å; F128-I193 VanDerWaalsContact CE1-CD1 3.41Å; F128-I193 HydrophobicContact CZ-CD1 4.31Å; F185-I193 HydrophobicContact CE1-CD1 4.48Å; F185-I193 HydrophobicContact CE2-CD1 4.47Å; F185-I193 HydrophobicContact CZ-CB 4.41Å; F185-I193 HydrophobicContact CZ-CD1 3.8Å; T191-I193 PolarHBondContact O-N 2.88Å; I193-F195 HydrophobicContact CG2-CE1 4.26Å; I193-F195 HydrophobicContact CG2-CE2 3.95Å; I193-F195 HydrophobicContact CG2-CZ 3.82Å; I193-Q209 WeakPolarHBondContact O-CA 3.47Å
194	F	89.8	Confident	85.4	Confident	53 Å²	53	34.7 Å²	34.7	23%	0.232	19%	0.194	C	C	.	.			trans	-128.9	113.9	-178.2	-70.2	-85.5	0	0	0	111	G192 Q209 I617 H621	G192-F194 WeakPolarHBondContact O-CD2 3.44Å; G192-F194 WeakPolarHBondContact O-CE2 3.42Å; F194-Q209 HydrophobicContact CD1-CG 3.49Å; F194-Q209 VanDerWaalsContact CD1-CG 3.49Å; F194-Q209 HydrophobicContact CE1-CG 3.34Å; F194-Q209 HydrophobicContact CG-CG 4.28Å; F194-Q209 HydrophobicContact CZ-CG 4.03Å; F194-I617 HydrophobicContact CD1-CG2 3.69Å; F194-I617 HydrophobicContact CE1-CG2 3.45Å; F194-I617 VanDerWaalsContact CE1-CG2 3.45Å; F194-I617 HydrophobicContact CZ-CG2 4.28Å; F194-H621 AromaticContact CE2-CD2 3.93Å; F194-H621 AromaticContact CE2-NE2 3.85Å
195	F	92.7	Very high	84.8	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.4	174.7	-59.2	-77.4	0	0	0	109.3	V122 F124 F185 I193 C207 Q208 N210 L211 L213 E214	V122-F195 HydrophobicContact CG2-CD1 4.36Å; F124-F195 HydrophobicContact CE1-CE1 4.01Å; F124-F195 HydrophobicContact CE1-CZ 4.08Å; F124-F195 AromaticContact CZ-CE1 3.95Å; F124-F195 HydrophobicContact CZ-CE1 3.95Å; F124-F195 HydrophobicContact CZ-CZ 4.43Å; F185-F195 HydrophobicContact CE1-CE2 4.1Å; F185-F195 HydrophobicContact CZ-CE2 4.08Å; F185-F195 HydrophobicContact CZ-CZ 4.07Å; I193-F195 HydrophobicContact CG2-CE1 4.26Å; I193-F195 HydrophobicContact CG2-CE2 3.95Å; I193-F195 HydrophobicContact CG2-CZ 3.82Å; F195-C207 VanDerWaalsContact O-CA 3.26Å; F195-C207 WeakPolarHBondContact O-CA 3.28Å; F195-Q208 PolarHBondContact N-O 2.96Å; F195-Q208 PolarHBondContact O-N 2.84Å; F195-N210 WeakPolarHBondContact CD2-O 3.33Å; F195-L211 HydrophobicContact CE2-CD1 4.22Å; F195-L211 HydrophobicContact CE2-CG 3.93Å; F195-L211 HydrophobicContact CZ-CD1 4.46Å; F195-L211 HydrophobicContact CZ-CG 3.99Å; F195-L213 WeakPolarHBondContact O-CD2 3.22Å; F195-E214 HydrophobicContact CB-CB 4.41Å; F195-E214 HydrophobicContact CD1-CB 3.9Å; F195-E214 HydrophobicContact CD1-CG 3.93Å; F195-E214 WeakPolarHBondContact CD1-OE2 3.31Å; F195-E214 HydrophobicContact CE1-CB 4.26Å; F195-E214 HydrophobicContact CE1-CG 4.06Å; F195-E214 HydrophobicContact CG-CB 4.03Å
196	T	90.7	Very high	84.6	Confident	14 Å²	14	34.5 Å²	34.5	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123	177.3	-58.1	0	0	0	0	110.5	T119 K120 P205 V206	T119-T196 WeakPolarHBondContact CA-O 3.21Å; T119-T196 WeakPolarHBondContact CB-O 3.33Å; T119-T196 PolarHBondContact OG1-O 3.17Å; K120-T196 HydrophobicContact CD-CG2 4.16Å; K120-T196 HydrophobicContact CG-CG2 4.36Å; K120-T196 PolarHBondContact N-O 2.96Å; T196-P205 HydrophobicContact CG2-CB 4.26Å; T196-V206 CarbonylContact C-O 3.13Å; T196-V206 WeakPolarHBondContact CA-O 3.43Å
197	W	92.8	Very high	84.7	Confident	1 Å²	1	34 Å²	34	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.8	178.4	-76.7	85.4	0	0	0	111.3	K117 E118 T119 P205 V206 L213 E214 S217 M218	K117-W197 HydrophobicContact CB-CE3 3.67Å; K117-W197 HydrophobicContact CB-CZ3 3.86Å; E118-W197 CarbonylContact O-C 3.56Å; E118-W197 WeakPolarHBondContact O-CA 3.48Å; E118-W197 VanDerWaalsContact O-CE3 3.24Å; T119-W197 HydrophobicContact CG2-CE3 4.48Å; T119-W197 HydrophobicContact CG2-CH2 3.61Å; T119-W197 HydrophobicContact CG2-CZ2 3.67Å; T119-W197 HydrophobicContact CG2-CZ3 4.05Å; W197-P205 CarbonylContact O-C 3.43Å; W197-P205 WeakPolarHBondContact O-CA 3.49Å; W197-V206 PolarHBondContact N-O 3.32Å; W197-V206 PolarHBondContact O-N 2.94Å; W197-L213 HydrophobicContact CB-CD1 4.31Å; W197-L213 HydrophobicContact CB-CD2 4.21Å; W197-L213 HydrophobicContact CB-CG 4.25Å; W197-L213 HydrophobicContact CG-CD2 4.45Å; W197-L213 HydrophobicContact CG-CG 4.22Å; W197-E214 PolarHBondContact NE1-OE2 2.77Å; W197-S217 VanDerWaalsContact CE2-CB 3.49Å; W197-S217 VanDerWaalsContact CE3-CB 3.44Å; W197-M218 HydrophobicContact CH2-CE 3.24Å; W197-M218 HydrophobicContact CZ2-CE 3.25Å
198	Y	87.9	Confident	85.3	Confident	18 Å²	18	30.1 Å²	30.1	7%	0.071	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.9	178.5	-65.6	-87.7	0	0	0	110.6	N43 I47 K117 E118 K120 S200 G203 P205	N43-Y198 HydrophobicContact CB-CD1 4.15Å; N43-Y198 HydrophobicContact CB-CE1 4.28Å; I47-Y198 HydrophobicContact CD1-CE1 3.43Å; I47-Y198 VanDerWaalsContact CD1-CE1 3.43Å; I47-Y198 WeakPolarHBondContact CD1-OH 3.45Å; I47-Y198 HydrophobicContact CG1-CE1 4.3Å; K117-Y198 PolarHBondContact NZ-O 3.3Å; E118-Y198 HydrophobicContact CB-CD2 3.95Å; E118-Y198 HydrophobicContact CB-CG 4.41Å; E118-Y198 WeakPolarHBondContact O-CD2 3.47Å; E118-Y198 PolarHBondContact O-N 2.97Å; K120-Y198 WeakPolarHBondContact CE-OH 3.36Å; K120-Y198 HydrophobicContact CG-CE2 4.18Å; Y198-S200 PolarHBondContact O-N 3.5Å; Y198-G203 WeakPolarHBondContact CD1-O 3.38Å; Y198-P205 HydrophobicContact CD1-CB 3.99Å; Y198-P205 HydrophobicContact CE1-CB 3.75Å; Y198-P205 HydrophobicContact CE1-CG 4.44Å
199	D	89.1	Confident	85.7	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.011	15%	0.145	C	C	.	.			trans	-61.6	127.4	171.5	-175.3	-81.8	0	0	0	110.5	F201 T202 G203 V204 S267 Y268 D269	D199-F201 PolarHBondContact O-N 3.18Å; D199-F201 PolarHBondContact OD1-N 3.09Å; D199-T202 VanDerWaalsContact CB-OG1 3.26Å; D199-T202 WeakPolarHBondContact CB-OG1 3.39Å; D199-T202 PolarHBondContact OD1-N 3.1Å; D199-T202 PolarHBondContact OD1-OG1 3.22Å; D199-G203 WeakPolarHBondContact O-CA 3.47Å; D199-G203 PolarHBondContact O-N 3.45Å; D199-V204 HydrophobicContact CB-CB 4.38Å; D199-V204 WeakPolarHBondContact CB-O 3.17Å; D199-V204 PolarHBondContact N-O 3.3Å; D199-S267 PolarHBondContact OD2-OG 3.46Å; D199-Y268 WeakPolarHBondContact OD2-CA 3.46Å; D199-Y268 WeakPolarHBondContact OD2-CB 3.12Å; D199-Y268 PolarHBondContact OD2-N 2.94Å; D199-D269 WeakPolarHBondContact OD2-CB 3.46Å; D199-D269 PolarHBondContact OD2-N 3.04Å
200	S	88.2	Confident	86	Confident	4 Å²	4	27.2 Å²	27.2	3%	0.028	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	4.7	-173.9	58.4	0	0	0	0	114.6	R39 Y198 F220 D269	R39-S200 PolarHBondContact NH1-O 3.38Å; R39-S200 PolarHBondContact NH2-O 3.15Å; Y198-S200 PolarHBondContact O-N 3.5Å; S200-F220 WeakPolarHBondContact OG-CE1 3.44Å; S200-F220 WeakPolarHBondContact OG-CZ 3.42Å; S200-D269 WeakPolarHBondContact CB-OD2 3.49Å; S200-D269 PolarHBondContact N-OD2 2.98Å; S200-D269 WeakPolarHBondContact OG-CB 3.45Å; S200-D269 PolarHBondContact OG-OD2 3.45Å
201	F	85	Confident	86.6	Confident	12 Å²	12	19.9 Å²	19.9	5%	0.053	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-49.3	171.8	-69.6	-92.3	0	0	0	110.6	L90 N94 D199 D269 M274 L278 W340	L90-F201 WeakPolarHBondContact CD2-O 3.43Å; N94-F201 PolarHBondContact ND2-O 3.2Å; D199-F201 PolarHBondContact O-N 3.18Å; D199-F201 PolarHBondContact OD1-N 3.09Å; F201-D269 HydrophobicContact CD2-CB 3.66Å; F201-D269 HydrophobicContact CE2-CB 4.12Å; F201-M274 HydrophobicContact CE2-SD 4.5Å; F201-L278 HydrophobicContact CE2-CD1 4.21Å; F201-L278 HydrophobicContact CE2-CD2 4.46Å; F201-L278 HydrophobicContact CZ-CD1 4.35Å; F201-L278 HydrophobicContact CZ-CD2 3.81Å; F201-W340 HydrophobicContact CE1-CE3 4.36Å; F201-W340 AromaticContact CE1-CH2 3.67Å; F201-W340 HydrophobicContact CE1-CH2 3.67Å; F201-W340 HydrophobicContact CE1-CZ2 4.2Å; F201-W340 AromaticContact CE1-CZ3 3.76Å; F201-W340 HydrophobicContact CE1-CZ3 3.76Å; F201-W340 AromaticContact CZ-CH2 3.79Å; F201-W340 HydrophobicContact CZ-CH2 3.79Å; F201-W340 AromaticContact CZ-CZ3 3.91Å; F201-W340 HydrophobicContact CZ-CZ3 3.91Å
202	T	81.9	Confident	87.2	Confident	16 Å²	16	21 Å²	21	10%	0.098	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-14.7	-170.9	64.7	0	0	0	0	114.2	L90 D199 V204 Y268 N335	L90-T202 VanDerWaalsContact CD2-C 3.42Å; D199-T202 VanDerWaalsContact CB-OG1 3.26Å; D199-T202 WeakPolarHBondContact CB-OG1 3.39Å; D199-T202 PolarHBondContact OD1-N 3.1Å; D199-T202 PolarHBondContact OD1-OG1 3.22Å; T202-V204 PolarHBondContact O-N 3.4Å; T202-V204 WeakPolarHBondContact OG1-CG2 3.46Å; T202-V204 PolarHBondContact OG1-N 2.96Å; T202-Y268 HydrophobicContact CG2-CD1 4.32Å; T202-N335 HydrophobicContact CG2-CB 4.2Å; T202-N335 WeakPolarHBondContact CG2-OD1 3.47Å
203	G	78.6	Confident	87.7	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.			trans	71.6	3.9	-177.3	0	0	0	0	0	114.4	N43 Y198 D199	N43-G203 WeakPolarHBondContact OD1-CA 3.31Å; Y198-G203 WeakPolarHBondContact CD1-O 3.38Å; D199-G203 WeakPolarHBondContact O-CA 3.47Å; D199-G203 PolarHBondContact O-N 3.45Å
204	V	79.9	Confident	87.9	Confident	26 Å²	26	18.6 Å²	18.6	16%	0.158	10%	0.099	C	C	.	.			trans	-69	130.5	179.8	170.5	0	0	0	0	110.1	M50 D199 T202 Y614	M50-V204 HydrophobicContact CE-CG2 4.42Å; M50-V204 HydrophobicContact SD-CG2 4.3Å; D199-V204 HydrophobicContact CB-CB 4.38Å; D199-V204 WeakPolarHBondContact CB-O 3.17Å; D199-V204 PolarHBondContact N-O 3.3Å; T202-V204 PolarHBondContact O-N 3.4Å; T202-V204 WeakPolarHBondContact OG1-CG2 3.46Å; T202-V204 PolarHBondContact OG1-N 2.96Å; V204-Y614 HydrophobicContact CG1-CD1 3.84Å; V204-Y614 HydrophobicContact CG1-CE1 3.57Å; V204-Y614 HydrophobicContact CG2-CE1 4.43Å
205	P	81.8	Confident	88.2	Confident	13 Å²	13	17.3 Å²	17.3	8%	0.084	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.9	175.8	32.5	-36.3	0	0	0	112.4	I47 T196 W197 Y198 C618	I47-P205 HydrophobicContact CD1-CG 4.31Å; I47-P205 HydrophobicContact CG1-CG 3.96Å; T196-P205 HydrophobicContact CG2-CB 4.26Å; W197-P205 CarbonylContact O-C 3.43Å; W197-P205 WeakPolarHBondContact O-CA 3.49Å; Y198-P205 HydrophobicContact CD1-CB 3.99Å; Y198-P205 HydrophobicContact CE1-CB 3.75Å; Y198-P205 HydrophobicContact CE1-CG 4.44Å; P205-C618 HydrophobicContact CB-CB 4.41Å; P205-C618 HydrophobicContact CG-CB 4.21Å
206	V	86.6	Confident	88.4	Confident	9 Å²	9	17.3 Å²	17.3	6%	0.055	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.4	169.9	-174.4	0	0	0	0	108.2	T196 W197 L213 P266	T196-V206 CarbonylContact C-O 3.13Å; T196-V206 WeakPolarHBondContact CA-O 3.43Å; W197-V206 PolarHBondContact N-O 3.32Å; W197-V206 PolarHBondContact O-N 2.94Å; V206-L213 HydrophobicContact CB-CD1 4.43Å; V206-L213 HydrophobicContact CB-CD2 4.17Å; V206-L213 HydrophobicContact CG1-CD1 4.14Å; V206-L213 HydrophobicContact CG1-CD2 3.89Å; V206-L213 WeakPolarHBondContact O-CD2 3.41Å; V206-P266 HydrophobicContact CG1-CG 3.81Å; V206-P266 VanDerWaalsContact CG2-O 3.28Å; V206-P266 WeakPolarHBondContact CG2-O 3.49Å
207	C	88.3	Confident	88.7	Confident	6 Å²	6	16.6 Å²	16.6	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.7	178.3	177.9	0	0	0	0	110.9	F195 S615 C618	F195-C207 VanDerWaalsContact O-CA 3.26Å; F195-C207 WeakPolarHBondContact O-CA 3.28Å; C207-S615 PolarHBondContact O-OG 2.98Å; C207-S615 VanDerWaalsContact O-OG 3.09Å; C207-C618 HydrophobicContact CB-CB 4.42Å; C207-C618 WeakPolarHBondContact CB-SG 3.28Å; C207-C618 PolarHBondContact N-SG 3.46Å; C207-C618 VanDerWaalsContact N-SG 3.35Å
208	Q	88.3	Confident	88.9	Confident	35 Å²	35	16.7 Å²	16.7	16%	0.164	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.9	177.3	-67.3	-167	-24.4	0	0	110.6	F195 N210 L213 P266	F195-Q208 PolarHBondContact N-O 2.96Å; F195-Q208 PolarHBondContact O-N 2.84Å; Q208-N210 PolarHBondContact OE1-OD1 3.08Å; Q208-N210 VanDerWaalsContact OE1-OD1 3.13Å; Q208-L213 HydrophobicContact CB-CB 4.03Å; Q208-L213 HydrophobicContact CB-CD2 4.14Å; Q208-L213 HydrophobicContact CG-CB 4.16Å; Q208-L213 HydrophobicContact CG-CD2 4.11Å; Q208-P266 VanDerWaalsContact NE2-CG 3.33Å
209	Q	86.6	Confident	89.3	Confident	59 Å²	59	15.8 Å²	15.8	28%	0.276	9%	0.086	S	C	.	.	S	Bend	trans	-86.2	-26.5	174	-69.7	-176.4	-29.4	0	0	112.8	I193 F194	I193-Q209 WeakPolarHBondContact O-CA 3.47Å; F194-Q209 HydrophobicContact CD1-CG 3.49Å; F194-Q209 VanDerWaalsContact CD1-CG 3.49Å; F194-Q209 HydrophobicContact CE1-CG 3.34Å; F194-Q209 HydrophobicContact CG-CG 4.28Å; F194-Q209 HydrophobicContact CZ-CG 4.03Å
210	N	85.1	Confident	89.8	Confident	76 Å²	76	15.8 Å²	15.8	41%	0.406	9%	0.086	S	C	.	.	S	Bend	trans	-80.4	159.1	176.1	66.6	43	0	0	0	110.8	F195 Q208 S212	F195-N210 WeakPolarHBondContact CD2-O 3.33Å; Q208-N210 PolarHBondContact OE1-OD1 3.08Å; Q208-N210 VanDerWaalsContact OE1-OD1 3.13Å; N210-S212 PolarHBondContact O-N 3.33Å; N210-S212 VanDerWaalsContact OD1-CB 3.3Å; N210-S212 WeakPolarHBondContact OD1-CB 3.2Å; N210-S212 PolarHBondContact OD1-N 3.29Å; N210-S212 VanDerWaalsContact OD1-N 3.15Å; N210-S212 PolarHBondContact OD1-OG 2.69Å
211	L	91.8	Very high	90.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5	179.8	-78.9	91.7	0	0	0	113.8	L177 E181 F185 F195 L213 E214 K215	L177-L211 HydrophobicContact CB-CD2 3.98Å; L177-L211 HydrophobicContact CD2-CD2 3.86Å; L177-L211 HydrophobicContact CG-CD2 4.41Å; E181-L211 HydrophobicContact CB-CD1 4.12Å; E181-L211 HydrophobicContact CB-CD2 4.29Å; E181-L211 HydrophobicContact CG-CD1 4.24Å; F185-L211 HydrophobicContact CB-CD1 4.28Å; F185-L211 HydrophobicContact CD1-CD1 3.48Å; F185-L211 VanDerWaalsContact CD1-CD1 3.48Å; F185-L211 HydrophobicContact CD2-CD1 3.46Å; F185-L211 VanDerWaalsContact CD2-CD1 3.46Å; F185-L211 HydrophobicContact CE1-CD1 3.51Å; F185-L211 HydrophobicContact CE2-CD1 3.52Å; F185-L211 HydrophobicContact CG-CD1 3.44Å; F185-L211 VanDerWaalsContact CG-CD1 3.44Å; F185-L211 HydrophobicContact CZ-CD1 3.54Å; F185-L211 HydrophobicContact CZ-CG 4.49Å; F195-L211 HydrophobicContact CE2-CD1 4.22Å; F195-L211 HydrophobicContact CE2-CG 3.93Å; F195-L211 HydrophobicContact CZ-CD1 4.46Å; F195-L211 HydrophobicContact CZ-CG 3.99Å; L211-L213 VanDerWaalsContact C-N 3.29Å; L211-L213 PolarHBondContact O-N 2.86Å; L211-E214 PolarHBondContact O-N 3.13Å; L211-E214 VanDerWaalsContact O-N 3.11Å; L211-K215 HydrophobicContact CB-CD 4.48Å; L211-K215 HydrophobicContact CB-CG 4.48Å; L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 WeakPolarHBondContact O-CG 3.45Å; L211-K215 PolarHBondContact O-N 3.11Å
212	S	92	Very high	90.8	Very high	44 Å²	44	15.3 Å²	15.3	31%	0.308	8%	0.084	S	C	.	.	H	α-helix	trans	-59.9	-41.4	-175.5	-56.3	0	0	0	0	111.7	N210 A216	N210-S212 PolarHBondContact O-N 3.33Å; N210-S212 VanDerWaalsContact OD1-CB 3.3Å; N210-S212 WeakPolarHBondContact OD1-CB 3.2Å; N210-S212 PolarHBondContact OD1-N 3.29Å; N210-S212 VanDerWaalsContact OD1-N 3.15Å; N210-S212 PolarHBondContact OD1-OG 2.69Å; S212-A216 WeakPolarHBondContact O-CB 3.42Å; S212-A216 PolarHBondContact O-N 3.04Å
213	L	93.8	Very high	91.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.9	-42.4	174.5	179.5	64.8	0	0	0	112.7	F195 W197 V206 Q208 L211 S217 I265 M270	F195-L213 WeakPolarHBondContact O-CD2 3.22Å; W197-L213 HydrophobicContact CB-CD1 4.31Å; W197-L213 HydrophobicContact CB-CD2 4.21Å; W197-L213 HydrophobicContact CB-CG 4.25Å; W197-L213 HydrophobicContact CG-CD2 4.45Å; W197-L213 HydrophobicContact CG-CG 4.22Å; V206-L213 HydrophobicContact CB-CD1 4.43Å; V206-L213 HydrophobicContact CB-CD2 4.17Å; V206-L213 HydrophobicContact CG1-CD1 4.14Å; V206-L213 HydrophobicContact CG1-CD2 3.89Å; V206-L213 WeakPolarHBondContact O-CD2 3.41Å; Q208-L213 HydrophobicContact CB-CB 4.03Å; Q208-L213 HydrophobicContact CB-CD2 4.14Å; Q208-L213 HydrophobicContact CG-CB 4.16Å; Q208-L213 HydrophobicContact CG-CD2 4.11Å; L211-L213 VanDerWaalsContact C-N 3.29Å; L211-L213 PolarHBondContact O-N 2.86Å; L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.49Å; L213-S217 PolarHBondContact O-N 3.5Å; L213-S217 PolarHBondContact O-OG 3.19Å; L213-I265 HydrophobicContact CD1-CG2 3.63Å; L213-M270 HydrophobicContact CD1-CE 3.98Å
214	E	96.1	Very high	92.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-49.4	179.2	-173.9	78.3	177.7	0	0	110.4	R154 Y173 L177 F195 W197 L211 S217 M218	R154-E214 IonicContact CZ-OE1 3.01Å; R154-E214 IonicContact CZ-OE2 3.56Å; R154-E214 IonicContact NE-OE1 2.7Å; R154-E214 PolarHBondContact NE-OE1 3.43Å; R154-E214 IonicContact NE-OE2 3.87Å; R154-E214 IonicContact NH2-OE1 2.72Å; R154-E214 PolarHBondContact NH2-OE1 3.46Å; R154-E214 IonicContact NH2-OE2 3.08Å; R154-E214 PolarHBondContact NH2-OE2 3.23Å; R154-E214 VanDerWaalsContact NH2-OE2 3.14Å; Y173-E214 HydrophobicContact CE1-CG 4.06Å; Y173-E214 VanDerWaalsContact CE1-OE1 3.25Å; Y173-E214 WeakPolarHBondContact CE1-OE1 3.34Å; Y173-E214 PolarHBondContact OH-OE1 2.99Å; L177-E214 HydrophobicContact CD1-CB 4.47Å; L177-E214 HydrophobicContact CD1-CG 3.91Å; L177-E214 HydrophobicContact CD2-CG 4.23Å; F195-E214 HydrophobicContact CB-CB 4.41Å; F195-E214 HydrophobicContact CD1-CB 3.9Å; F195-E214 HydrophobicContact CD1-CG 3.93Å; F195-E214 WeakPolarHBondContact CD1-OE2 3.31Å; F195-E214 HydrophobicContact CE1-CB 4.26Å; F195-E214 HydrophobicContact CE1-CG 4.06Å; F195-E214 HydrophobicContact CG-CB 4.03Å; W197-E214 PolarHBondContact NE1-OE2 2.77Å; L211-E214 PolarHBondContact O-N 3.13Å; L211-E214 VanDerWaalsContact O-N 3.11Å; E214-S217 PolarHBondContact O-N 2.91Å; E214-M218 WeakPolarHBondContact O-CG 3.39Å; E214-M218 PolarHBondContact O-N 3.39Å
215	K	96.1	Very high	93.1	Very high	27 Å²	27	13.3 Å²	13.3	12%	0.117	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-49.4	177.3	-71.3	176.4	-178.3	178.8	0	111.8	Y174 L177 E181 L211 S217 M218 V219 F262	Y174-K215 HydrophobicContact CD2-CB 4.4Å; Y174-K215 HydrophobicContact CE2-CB 4Å; Y174-K215 HydrophobicContact CE2-CG 4.39Å; L177-K215 HydrophobicContact CB-CD 4.46Å; L177-K215 HydrophobicContact CB-CG 3.9Å; L177-K215 HydrophobicContact CD1-CB 4.23Å; L177-K215 HydrophobicContact CD1-CG 3.49Å; L177-K215 VanDerWaalsContact CD1-CG 3.49Å; L177-K215 HydrophobicContact CG-CG 4.34Å; E181-K215 IonicContact OE1-NZ 2.76Å; E181-K215 IonicContact OE2-NZ 2.65Å; E181-K215 PolarHBondContact OE2-NZ 3.38Å; L211-K215 HydrophobicContact CB-CD 4.48Å; L211-K215 HydrophobicContact CB-CG 4.48Å; L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 WeakPolarHBondContact O-CG 3.45Å; L211-K215 PolarHBondContact O-N 3.11Å; K215-S217 VanDerWaalsContact C-N 3.32Å; K215-S217 PolarHBondContact O-N 3.12Å; K215-M218 PolarHBondContact O-N 3.37Å; K215-V219 WeakPolarHBondContact O-CG2 3.43Å; K215-V219 PolarHBondContact O-N 2.84Å; K215-V219 VanDerWaalsContact O-N 3.15Å; K215-F262 HydrophobicContact CB-CE1 3.7Å; K215-F262 HydrophobicContact CB-CZ 3.63Å; K215-F262 HydrophobicContact CD-CE1 4.41Å
216	A	96.8	Very high	93.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-42.4	179	0	0	0	0	0	111.9	S212 M218 V219 F220 L258 F262 I265 M270	S212-A216 WeakPolarHBondContact O-CB 3.42Å; S212-A216 PolarHBondContact O-N 3.04Å; A216-M218 PolarHBondContact O-N 3.2Å; A216-V219 PolarHBondContact O-N 2.97Å; A216-F220 PolarHBondContact O-N 3.47Å; A216-L258 HydrophobicContact CB-CD1 3.77Å; A216-L258 WeakPolarHBondContact O-CD1 3.47Å; A216-F262 HydrophobicContact CB-CB 3.98Å; A216-F262 HydrophobicContact CB-CD1 3.96Å; A216-F262 HydrophobicContact CB-CD2 4.06Å; A216-F262 HydrophobicContact CB-CE1 4.48Å; A216-F262 HydrophobicContact CB-CG 3.74Å; A216-I265 HydrophobicContact CB-CD1 3.97Å; A216-I265 HydrophobicContact CB-CG1 3.81Å; A216-M270 HydrophobicContact CB-SD 3.96Å
217	S	97.1	Very high	94.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-69.8	-32.9	-179.4	-56.6	0	0	0	0	112.8	K117 W197 L213 E214 K215 F220 N221	K117-S217 WeakPolarHBondContact CE-OG 3.41Å; W197-S217 VanDerWaalsContact CE2-CB 3.49Å; W197-S217 VanDerWaalsContact CE3-CB 3.44Å; L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.49Å; L213-S217 PolarHBondContact O-N 3.5Å; L213-S217 PolarHBondContact O-OG 3.19Å; E214-S217 PolarHBondContact O-N 2.91Å; K215-S217 VanDerWaalsContact C-N 3.32Å; K215-S217 PolarHBondContact O-N 3.12Å; S217-F220 PolarHBondContact O-N 3.25Å; S217-N221 WeakPolarHBondContact O-CB 3.35Å; S217-N221 PolarHBondContact O-N 2.96Å
218	M	96.6	Very high	94.7	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-62.6	-45.4	170.5	-72.1	-61.9	134.3	0	0	111.7	C157 L170 Y173 Y174 L177 W197 E214 K215 A216 N221 M222	C157-M218 HydrophobicContact CB-CE 4.28Å; C157-M218 HydrophobicContact CB-SD 4.27Å; L170-M218 HydrophobicContact CD2-SD 3.86Å; Y173-M218 HydrophobicContact CD1-CE 4Å; Y173-M218 HydrophobicContact CD1-CG 3.84Å; Y173-M218 HydrophobicContact CD1-SD 3.65Å; Y173-M218 HydrophobicContact CE1-CE 3.89Å; Y173-M218 HydrophobicContact CE1-CG 4.08Å; Y173-M218 HydrophobicContact CE1-SD 4.11Å; Y174-M218 HydrophobicContact CD2-CB 4.19Å; L177-M218 HydrophobicContact CD1-CG 4.43Å; W197-M218 HydrophobicContact CH2-CE 3.24Å; W197-M218 HydrophobicContact CZ2-CE 3.25Å; E214-M218 WeakPolarHBondContact O-CG 3.39Å; E214-M218 PolarHBondContact O-N 3.39Å; K215-M218 PolarHBondContact O-N 3.37Å; A216-M218 PolarHBondContact O-N 3.2Å; M218-N221 PolarHBondContact O-N 3.24Å; M218-M222 WeakPolarHBondContact O-CG 3.41Å; M218-M222 PolarHBondContact O-N 3.15Å
219	V	96.7	Very high	95	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62	-43.7	176.9	176.2	0	0	0	0	111.5	Y174 K215 A216 N221 M222 A223 M254 L258 F262	Y174-V219 HydrophobicContact CD2-CG2 3.96Å; Y174-V219 HydrophobicContact CE2-CG2 3.48Å; Y174-V219 VanDerWaalsContact CE2-CG2 3.48Å; K215-V219 WeakPolarHBondContact O-CG2 3.43Å; K215-V219 PolarHBondContact O-N 2.84Å; K215-V219 VanDerWaalsContact O-N 3.15Å; A216-V219 PolarHBondContact O-N 2.97Å; V219-N221 VanDerWaalsContact C-N 3.35Å; V219-N221 PolarHBondContact O-N 3.46Å; V219-M222 HydrophobicContact CB-CE 4.32Å; V219-M222 HydrophobicContact CG2-CE 3.92Å; V219-M222 PolarHBondContact O-N 3.3Å; V219-A223 PolarHBondContact O-N 2.93Å; V219-A223 VanDerWaalsContact O-N 3.12Å; V219-M254 HydrophobicContact CG1-CE 3.98Å; V219-M254 WeakPolarHBondContact CG1-O 3.37Å; V219-L258 HydrophobicContact CB-CD1 4.4Å; V219-L258 HydrophobicContact CG1-CB 3.81Å; V219-L258 HydrophobicContact CG1-CD1 4.44Å; V219-F262 HydrophobicContact CG2-CE2 4.23Å
220	F	97.8	Very high	95.5	Very high	1 Å²	1	8.2 Å²	8.2	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-58.6	-46.3	173.7	-174.9	-79.4	0	0	0	111.6	K117 S200 A216 S217 M222 A223 A224 L255 L258 D269 M270 L278	K117-F220 HydrophobicContact CD-CB 3.91Å; K117-F220 HydrophobicContact CD-CD1 3.51Å; K117-F220 HydrophobicContact CD-CD2 4.38Å; K117-F220 HydrophobicContact CD-CE1 4.13Å; K117-F220 HydrophobicContact CD-CG 3.67Å; K117-F220 HydrophobicContact CG-CD1 3.49Å; K117-F220 VanDerWaalsContact CG-CD1 3.49Å; K117-F220 HydrophobicContact CG-CE1 3.75Å; K117-F220 HydrophobicContact CG-CG 4.18Å; S200-F220 WeakPolarHBondContact OG-CE1 3.44Å; S200-F220 WeakPolarHBondContact OG-CZ 3.42Å; A216-F220 PolarHBondContact O-N 3.47Å; S217-F220 PolarHBondContact O-N 3.25Å; F220-M222 VanDerWaalsContact C-N 3.32Å; F220-M222 PolarHBondContact O-N 2.93Å; F220-A223 WeakPolarHBondContact O-CB 3.26Å; F220-A223 PolarHBondContact O-N 2.65Å; F220-A224 HydrophobicContact CE1-CB 4.4Å; F220-A224 PolarHBondContact O-N 2.76Å; F220-L255 HydrophobicContact CD2-CD2 4.34Å; F220-L255 HydrophobicContact CE2-CD2 4.49Å; F220-L258 HydrophobicContact CB-CD2 4.06Å; F220-L258 HydrophobicContact CD2-CD2 3.93Å; F220-D269 HydrophobicContact CE2-CB 4.42Å; F220-M270 HydrophobicContact CB-SD 4.43Å; F220-M270 HydrophobicContact CD2-CG 4.06Å; F220-L278 HydrophobicContact CE2-CD1 4.03Å; F220-L278 HydrophobicContact CZ-CD1 4.47Å
221	N	97.1	Very high	95.9	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.021	3%	0.026	C	C	.	.	H	α-helix	trans	-66.2	-32.2	179.9	-81.2	4.1	0	0	0	113	L116 K117 L170 S217 M218 V219 A224 L225	L116-N221 HydrophobicContact CD2-CB 4.06Å; K117-N221 WeakPolarHBondContact CB-OD1 3.4Å; K117-N221 PolarHBondContact N-OD1 2.93Å; K117-N221 PolarHBondContact O-ND2 3.03Å; L170-N221 HydrophobicContact CD1-CB 3.72Å; S217-N221 WeakPolarHBondContact O-CB 3.35Å; S217-N221 PolarHBondContact O-N 2.96Å; M218-N221 PolarHBondContact O-N 3.24Å; V219-N221 VanDerWaalsContact C-N 3.35Å; V219-N221 PolarHBondContact O-N 3.46Å; N221-A224 PolarHBondContact O-N 2.71Å; N221-L225 WeakPolarHBondContact O-CG 3.1Å; N221-L225 PolarHBondContact O-N 3.21Å
222	M	97.4	Very high	95.9	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.015	4%	0.038	C	C	.	.	H	α-helix	trans	-62.7	-45.8	170.6	-72.6	-175.3	-78.8	0	0	111.4	V167 L170 A171 Y174 M218 V219 F220 A224 L225 Y226 M254	V167-M222 HydrophobicContact CG1-CG 4.32Å; L170-M222 HydrophobicContact CB-CG 3.6Å; L170-M222 HydrophobicContact CB-SD 4.22Å; L170-M222 HydrophobicContact CD1-CG 3.86Å; L170-M222 HydrophobicContact CG-CG 4.4Å; A171-M222 HydrophobicContact CB-SD 3.97Å; Y174-M222 HydrophobicContact CG-CE 4.25Å; M218-M222 WeakPolarHBondContact O-CG 3.41Å; M218-M222 PolarHBondContact O-N 3.15Å; V219-M222 HydrophobicContact CB-CE 4.32Å; V219-M222 HydrophobicContact CG2-CE 3.92Å; V219-M222 PolarHBondContact O-N 3.3Å; F220-M222 VanDerWaalsContact C-N 3.32Å; F220-M222 PolarHBondContact O-N 2.93Å; M222-A224 VanDerWaalsContact C-N 3.32Å; M222-A224 PolarHBondContact O-N 2.98Å; M222-L225 PolarHBondContact O-N 3.46Å; M222-Y226 WeakPolarHBondContact O-CD2 3.37Å; M222-Y226 PolarHBondContact O-N 3.23Å; M222-M254 HydrophobicContact CB-CE 3.85Å; M222-M254 HydrophobicContact CE-CE 3.5Å; M222-M254 HydrophobicContact CG-CE 4.44Å; M222-M254 HydrophobicContact SD-CE 3.83Å
223	A	97.9	Very high	96	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-60.7	-42.2	174.6	0	0	0	0	0	112.2	V219 F220 Y226 S227 A251 M254 L255	V219-A223 PolarHBondContact O-N 2.93Å; V219-A223 VanDerWaalsContact O-N 3.12Å; F220-A223 WeakPolarHBondContact O-CB 3.26Å; F220-A223 PolarHBondContact O-N 2.65Å; A223-Y226 PolarHBondContact O-N 2.9Å; A223-S227 PolarHBondContact O-N 3.39Å; A223-A251 WeakPolarHBondContact O-CB 3.15Å; A223-M254 HydrophobicContact CB-CB 3.74Å; A223-L255 HydrophobicContact CB-CD2 3.99Å; A223-L255 HydrophobicContact CB-CG 3.74Å
224	A	96.4	Very high	95.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.4	-39.1	178	0	0	0	0	0	112.5	L114 L116 F220 N221 M222 S227 Q228	L114-A224 HydrophobicContact CB-CB 3.75Å; L116-A224 HydrophobicContact CD2-CB 3.83Å; F220-A224 HydrophobicContact CE1-CB 4.4Å; F220-A224 PolarHBondContact O-N 2.76Å; N221-A224 PolarHBondContact O-N 2.71Å; M222-A224 VanDerWaalsContact C-N 3.32Å; M222-A224 PolarHBondContact O-N 2.98Å; A224-S227 PolarHBondContact O-N 2.97Å; A224-S227 PolarHBondContact O-OG 3.42Å; A224-Q228 WeakPolarHBondContact O-CG 3.44Å; A224-Q228 PolarHBondContact O-N 2.91Å
225	L	95.4	Very high	95.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62	-45.2	172.1	-76.5	-175.6	0	0	0	112	L116 P160 R162 V167 L170 N221 M222 S227 Q228 I229	L116-L225 HydrophobicContact CD1-CD2 4.23Å; L116-L225 HydrophobicContact CD2-CD2 3.96Å; L116-L225 HydrophobicContact CD2-CG 3.96Å; P160-L225 HydrophobicContact CB-CD1 4.03Å; P160-L225 HydrophobicContact CG-CD1 4.06Å; P160-L225 HydrophobicContact CG-CD2 4.32Å; R162-L225 HydrophobicContact CG-CD2 4.44Å; V167-L225 HydrophobicContact CG2-CB 3.84Å; V167-L225 HydrophobicContact CG2-CD1 4.03Å; L170-L225 HydrophobicContact CD1-CD1 3.59Å; L170-L225 HydrophobicContact CD1-CG 4.28Å; L170-L225 HydrophobicContact CG-CD1 4.27Å; N221-L225 WeakPolarHBondContact O-CG 3.1Å; N221-L225 PolarHBondContact O-N 3.21Å; M222-L225 PolarHBondContact O-N 3.46Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.32Å; L225-Q228 PolarHBondContact O-N 2.99Å; L225-Q228 VanDerWaalsContact O-N 3.09Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.38Å; L225-I229 PolarHBondContact O-N 3.48Å
226	Y	97.7	Very high	95.6	Very high	3 Å²	3	10.9 Å²	10.9	1%	0.012	5%	0.05	C	C	.	.	H	α-helix	trans	-59.1	-42.1	175.1	-81.9	-53.3	0	0	0	112	E164 V167 M222 A223 Q228 I229 G230 S247 R250 M254 P484	E164-Y226 PolarHBondContact OE1-OH 2.9Å; E164-Y226 WeakPolarHBondContact OE2-CE1 3.49Å; V167-Y226 HydrophobicContact CG1-CE2 3.74Å; V167-Y226 HydrophobicContact CG2-CD1 4.48Å; V167-Y226 HydrophobicContact CG2-CE1 4.2Å; V167-Y226 HydrophobicContact CG2-CE2 4.4Å; M222-Y226 WeakPolarHBondContact O-CD2 3.37Å; M222-Y226 PolarHBondContact O-N 3.23Å; A223-Y226 PolarHBondContact O-N 2.9Å; Y226-Q228 VanDerWaalsContact C-N 3.3Å; Y226-Q228 PolarHBondContact O-N 3.01Å; Y226-I229 HydrophobicContact CD1-CD1 4.29Å; Y226-I229 PolarHBondContact O-N 3.28Å; Y226-G230 PolarHBondContact O-N 3.34Å; Y226-S247 WeakPolarHBondContact CB-O 3.46Å; Y226-S247 WeakPolarHBondContact O-CB 3.47Å; Y226-R250 HydrophobicContact CD1-CB 4.02Å; Y226-R250 HydrophobicContact CD2-CB 3.92Å; Y226-R250 HydrophobicContact CE1-CB 4.19Å; Y226-R250 HydrophobicContact CE2-CB 4.06Å; Y226-R250 HydrophobicContact CG-CB 3.91Å; Y226-M254 HydrophobicContact CD2-CG 4.22Å; Y226-M254 HydrophobicContact CE2-CG 4.3Å; Y226-P484 HydrophobicContact CD2-CG 4.37Å; Y226-P484 HydrophobicContact CE2-CB 4.13Å; Y226-P484 HydrophobicContact CE2-CG 3.55Å
227	S	97.7	Very high	95.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.6	-40.8	174.2	76.9	0	0	0	0	112.3	L114 A223 A224 L225 G230 T231 M282	L114-S227 PolarHBondContact N-OG 3.38Å; A223-S227 PolarHBondContact O-N 3.39Å; A224-S227 PolarHBondContact O-N 2.97Å; A224-S227 PolarHBondContact O-OG 3.42Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.32Å; S227-G230 PolarHBondContact O-N 3.11Å; S227-T231 WeakPolarHBondContact O-CG2 3.48Å; S227-T231 PolarHBondContact O-N 2.73Å; S227-T231 PolarHBondContact O-OG1 3.38Å; S227-M282 VanDerWaalsContact CB-SD 3.6Å
228	Q	94.9	Very high	95.4	Very high	10 Å²	10	18 Å²	18	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-71.6	-30.5	178.8	-70.6	174.9	31.8	0	0	113.3	Y100 A113 L114 A224 L225 Y226 T231 R232	Y100-Q228 HydrophobicContact CD1-CB 4.42Å; Y100-Q228 HydrophobicContact CD1-CG 3.74Å; Y100-Q228 HydrophobicContact CE1-CG 3.92Å; A113-Q228 HydrophobicContact CB-CG 3.86Å; L114-Q228 PolarHBondContact O-NE2 2.99Å; A224-Q228 WeakPolarHBondContact O-CG 3.44Å; A224-Q228 PolarHBondContact O-N 2.91Å; L225-Q228 PolarHBondContact O-N 2.99Å; L225-Q228 VanDerWaalsContact O-N 3.09Å; Y226-Q228 VanDerWaalsContact C-N 3.3Å; Y226-Q228 PolarHBondContact O-N 3.01Å; Q228-T231 PolarHBondContact O-OG1 3.3Å; Q228-T231 VanDerWaalsContact O-OG1 3.13Å; Q228-R232 WeakPolarHBondContact O-CB 3.48Å; Q228-R232 PolarHBondContact O-N 3.05Å
229	I	94.9	Very high	95.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-46	171.7	-66	165.2	0	0	0	108.8	V167 L225 Y226 T231 R232 S233 E243 S247	V167-I229 HydrophobicContact CG2-CD1 4.18Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.38Å; L225-I229 PolarHBondContact O-N 3.48Å; Y226-I229 HydrophobicContact CD1-CD1 4.29Å; Y226-I229 PolarHBondContact O-N 3.28Å; I229-T231 PolarHBondContact O-N 2.91Å; I229-R232 PolarHBondContact O-N 3.4Å; I229-S233 PolarHBondContact O-N 3.45Å; I229-S233 VanDerWaalsContact O-N 3.13Å; I229-S233 PolarHBondContact O-OG 2.87Å; I229-E243 HydrophobicContact CG2-CG 4.37Å; I229-S247 WeakPolarHBondContact CG2-OG 3.19Å
230	G	96	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-45.8	178.9	0	0	0	0	0	113.2	Y226 S227 R232 S233	Y226-G230 PolarHBondContact O-N 3.34Å; S227-G230 PolarHBondContact O-N 3.11Å; G230-R232 PolarHBondContact O-N 3.2Å; G230-S233 PolarHBondContact O-N 3.44Å
231	T	94.1	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-24.1	177.4	59.6	0	0	0	0	114	Y100 Q101 L111 A113 S227 Q228 I229 F248	Y100-T231 CarbonylContact O-C 3.56Å; Y100-T231 PolarHBondContact O-OG1 3.24Å; Q101-T231 WeakPolarHBondContact CA-O 3.4Å; L111-T231 HydrophobicContact CB-CG2 3.68Å; A113-T231 HydrophobicContact CB-CG2 3.77Å; S227-T231 WeakPolarHBondContact O-CG2 3.48Å; S227-T231 PolarHBondContact O-N 2.73Å; S227-T231 PolarHBondContact O-OG1 3.38Å; Q228-T231 PolarHBondContact O-OG1 3.3Å; Q228-T231 VanDerWaalsContact O-OG1 3.13Å; I229-T231 PolarHBondContact O-N 2.91Å; T231-F248 HydrophobicContact CG2-CE1 4.23Å; T231-F248 HydrophobicContact CG2-CZ 3.92Å
232	R	92.1	Very high	95.3	Very high	70 Å²	70	27.5 Å²	27.5	26%	0.264	14%	0.141	S	C	.	.	H	α-helix	trans	-90	-15.2	-178.2	-167.9	-172	65.7	-160.6	-11.7	112.7	Y100 S102 R162 Q228 I229 G230	Y100-R232 WeakPolarHBondContact O-CA 3.49Å; Y100-R232 PolarHBondContact O-N 3.41Å; S102-R232 WeakPolarHBondContact CB-O 3.31Å; R162-R232 PolarHBondContact O-NH1 3.43Å; R162-R232 PolarHBondContact O-NH2 3.1Å; Q228-R232 WeakPolarHBondContact O-CB 3.48Å; Q228-R232 PolarHBondContact O-N 3.05Å; I229-R232 PolarHBondContact O-N 3.4Å; G230-R232 PolarHBondContact O-N 3.2Å
233	S	93	Very high	95.3	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.035	16%	0.161	C	C	.	.	S	Bend	trans	-63.6	140.4	-176.7	-59	0	0	0	0	109.7	I229 G230 R235 G240	I229-S233 PolarHBondContact O-N 3.45Å; I229-S233 VanDerWaalsContact O-N 3.13Å; I229-S233 PolarHBondContact O-OG 2.87Å; G230-S233 PolarHBondContact O-N 3.44Å; S233-R235 WeakPolarHBondContact O-CG 3.48Å; S233-R235 PolarHBondContact O-N 3.05Å; S233-R235 VanDerWaalsContact O-N 3.13Å; S233-G240 VanDerWaalsContact CB-O 3.27Å; S233-G240 WeakPolarHBondContact CB-O 3.31Å
234	D	92.4	Very high	95.3	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.193	16%	0.161	C	C	.	.			trans	-75.5	100.8	178.3	172.2	20.5	0	0	0	110.9	Q236 T237 G240	D234-Q236 PolarHBondContact O-N 2.83Å; D234-Q236 WeakPolarHBondContact OD1-CB 3.34Å; D234-Q236 PolarHBondContact OD1-N 3.1Å; D234-T237 PolarHBondContact O-N 3.29Å; D234-T237 PolarHBondContact O-OG1 3.01Å; D234-T237 VanDerWaalsContact O-OG1 3.1Å; D234-T237 VanDerWaalsContact OD2-CG2 3.29Å; D234-T237 WeakPolarHBondContact OD2-CG2 3.4Å; D234-G240 VanDerWaalsContact O-CA 3.25Å; D234-G240 WeakPolarHBondContact O-CA 3.26Å
235	R	93.8	Very high	95.3	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.019	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.5	-176.1	-52	-162.8	-46.1	-92.1	14.6	113.6	E105 N108 I109 S233 L241 A244 E292	E105-R235 WeakPolarHBondContact OE1-CA 3.21Å; E105-R235 WeakPolarHBondContact OE1-CB 3.49Å; E105-R235 VanDerWaalsContact OE1-CG 3.31Å; E105-R235 WeakPolarHBondContact OE1-CG 3.49Å; E105-R235 PolarHBondContact OE1-N 3.34Å; E105-R235 IonicContact OE1-NH1 2.81Å; E105-R235 IonicContact OE2-NH1 3.01Å; N108-R235 WeakPolarHBondContact ND2-CB 3.41Å; I109-R235 PolarHBondContact O-NH2 3.49Å; S233-R235 WeakPolarHBondContact O-CG 3.48Å; S233-R235 PolarHBondContact O-N 3.05Å; S233-R235 VanDerWaalsContact O-N 3.13Å; R235-L241 HydrophobicContact CB-CD2 3.61Å; R235-L241 HydrophobicContact CB-CG 4.07Å; R235-L241 HydrophobicContact CG-CD2 4.02Å; R235-L241 WeakPolarHBondContact O-CD1 3.44Å; R235-L241 WeakPolarHBondContact O-CG 3.42Å; R235-A244 HydrophobicContact CG-CB 4.43Å; R235-E292 WeakPolarHBondContact CD-OE2 3.32Å; R235-E292 IonicContact CZ-OE1 3.45Å; R235-E292 IonicContact CZ-OE2 3.51Å; R235-E292 IonicContact NE-OE1 3.99Å; R235-E292 PolarHBondContact NE-OE1 3.37Å; R235-E292 IonicContact NE-OE2 2.66Å; R235-E292 PolarHBondContact NE-OE2 3.49Å; R235-E292 IonicContact NH2-OE1 3.27Å; R235-E292 PolarHBondContact NH2-OE1 3.13Å; R235-E292 VanDerWaalsContact NH2-OE1 3.12Å; R235-E292 IonicContact NH2-OE2 2.79Å
236	Q	92.1	Very high	95.4	Very high	88 Å²	88	33.7 Å²	33.7	41%	0.411	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.9	166.7	-59.1	-175.2	-4.5	0	0	112.6	T107 D234 L296	T107-Q236 PolarHBondContact OG1-NE2 3.15Å; D234-Q236 PolarHBondContact O-N 2.83Å; D234-Q236 WeakPolarHBondContact OD1-CB 3.34Å; D234-Q236 PolarHBondContact OD1-N 3.1Å; Q236-L296 WeakPolarHBondContact O-CD1 3.25Å
237	T	93.9	Very high	95.5	Very high	58 Å²	58	33.7 Å²	33.7	36%	0.356	17%	0.174	S	C	.	.	S	Bend	trans	-120.5	150.9	178.5	69	0	0	0	0	112.1	D234 V239 G240 L241	D234-T237 PolarHBondContact O-N 3.29Å; D234-T237 PolarHBondContact O-OG1 3.01Å; D234-T237 VanDerWaalsContact O-OG1 3.1Å; D234-T237 VanDerWaalsContact OD2-CG2 3.29Å; D234-T237 WeakPolarHBondContact OD2-CG2 3.4Å; T237-V239 PolarHBondContact O-N 2.91Å; T237-G240 PolarHBondContact O-N 3.47Å; T237-G240 PolarHBondContact OG1-N 2.96Å; T237-L241 WeakPolarHBondContact O-CB 3.37Å; T237-L241 WeakPolarHBondContact O-CG 3.44Å; T237-L241 PolarHBondContact O-N 2.81Å
238	I	95.9	Very high	95.5	Very high	92 Å²	92	33.7 Å²	33.7	47%	0.472	17%	0.174	S	C	.	.	H	α-helix	trans	-59.5	-38.7	174.9	-62.5	176	0	0	0	110.8	Q242 L296	I238-Q242 VanDerWaalsContact O-CG 3.27Å; I238-Q242 WeakPolarHBondContact O-CG 3.42Å; I238-Q242 PolarHBondContact O-N 3.08Å; I238-L296 HydrophobicContact CB-CD2 4.45Å; I238-L296 HydrophobicContact CG1-CD2 3.51Å
239	V	96.5	Very high	95.7	Very high	105 Å²	105	34.9 Å²	34.9	64%	0.636	18%	0.18	S	C	*	.	H	α-helix	trans	-67.8	-48.7	-178.5	178.8	0	0	0	0	110.5	T237 L241 Q242 E243	T237-V239 PolarHBondContact O-N 2.91Å; V239-L241 VanDerWaalsContact C-N 3.34Å; V239-L241 PolarHBondContact O-N 3.23Å; V239-Q242 PolarHBondContact O-N 3.07Å; V239-E243 PolarHBondContact O-N 2.73Å
240	G	95.6	Very high	95.8	Very high	4 Å²	4	38 Å²	38	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-34.1	178.9	0	0	0	0	0	112.8	S233 D234 T237 E243 A244	S233-G240 VanDerWaalsContact CB-O 3.27Å; S233-G240 WeakPolarHBondContact CB-O 3.31Å; D234-G240 VanDerWaalsContact O-CA 3.25Å; D234-G240 WeakPolarHBondContact O-CA 3.26Å; T237-G240 PolarHBondContact O-N 3.47Å; T237-G240 PolarHBondContact OG1-N 2.96Å; G240-E243 PolarHBondContact O-N 2.81Å; G240-A244 WeakPolarHBondContact O-CB 3.34Å; G240-A244 PolarHBondContact O-N 2.94Å
241	L	96.3	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-42	170.1	-78	167.8	0	0	0	112.6	R235 T237 V239 A244 I245 C289 E292 K293 L296	R235-L241 HydrophobicContact CB-CD2 3.61Å; R235-L241 HydrophobicContact CB-CG 4.07Å; R235-L241 HydrophobicContact CG-CD2 4.02Å; R235-L241 WeakPolarHBondContact O-CD1 3.44Å; R235-L241 WeakPolarHBondContact O-CG 3.42Å; T237-L241 WeakPolarHBondContact O-CB 3.37Å; T237-L241 WeakPolarHBondContact O-CG 3.44Å; T237-L241 PolarHBondContact O-N 2.81Å; V239-L241 VanDerWaalsContact C-N 3.34Å; V239-L241 PolarHBondContact O-N 3.23Å; L241-A244 PolarHBondContact O-N 3.14Å; L241-I245 WeakPolarHBondContact O-CB 3.29Å; L241-I245 VanDerWaalsContact O-CD1 3.3Å; L241-I245 WeakPolarHBondContact O-CD1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.37Å; L241-I245 PolarHBondContact O-N 3.07Å; L241-C289 HydrophobicContact CD2-CB 4.16Å; L241-E292 HydrophobicContact CD1-CB 4.45Å; L241-E292 HydrophobicContact CD2-CB 3.8Å; L241-E292 WeakPolarHBondContact CD2-OE2 3.48Å; L241-K293 HydrophobicContact CB-CB 4.36Å; L241-K293 HydrophobicContact CD1-CB 3.94Å; L241-L296 HydrophobicContact CD1-CB 4.42Å; L241-L296 HydrophobicContact CD1-CD1 4.45Å; L241-L296 HydrophobicContact CD1-CD2 4.09Å
242	Q	97.6	Very high	96.1	Very high	97 Å²	97	38 Å²	38	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-63.9	-40.8	175.4	-73.7	175	9.1	0	0	112	I238 V239 S246	I238-Q242 VanDerWaalsContact O-CG 3.27Å; I238-Q242 WeakPolarHBondContact O-CG 3.42Å; I238-Q242 PolarHBondContact O-N 3.08Å; V239-Q242 PolarHBondContact O-N 3.07Å; Q242-S246 WeakPolarHBondContact O-CB 3.39Å; Q242-S246 PolarHBondContact O-N 2.64Å
243	E	96.7	Very high	96.4	Very high	91 Å²	91	34.8 Å²	34.8	43%	0.425	18%	0.18	S	C	.	.	H	α-helix	trans	-62.6	-43.6	174.2	-171.5	177.7	-178	0	0	111.3	I229 V239 G240 S247	I229-E243 HydrophobicContact CG2-CG 4.37Å; V239-E243 PolarHBondContact O-N 2.73Å; G240-E243 PolarHBondContact O-N 2.81Å; E243-S247 WeakPolarHBondContact O-CB 3.29Å; E243-S247 PolarHBondContact O-N 3.32Å; E243-S247 PolarHBondContact O-OG 3.34Å
244	A	97.4	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-50.6	177.2	0	0	0	0	0	112	R235 G240 L241 S247 F248 C289	R235-A244 HydrophobicContact CG-CB 4.43Å; G240-A244 WeakPolarHBondContact O-CB 3.34Å; G240-A244 PolarHBondContact O-N 2.94Å; L241-A244 PolarHBondContact O-N 3.14Å; A244-S247 PolarHBondContact O-N 2.87Å; A244-F248 HydrophobicContact CB-CE2 4.38Å; A244-F248 WeakPolarHBondContact O-CD2 3.15Å; A244-F248 PolarHBondContact O-N 3.46Å; A244-C289 HydrophobicContact CB-CB 4.46Å
245	I	98.3	Very high	96.9	Very high	12 Å²	12	33 Å²	33	6%	0.062	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-55	178.4	-66.8	159.2	0	0	0	109.8	L241 S247 F248 Q249 C289 L290 K293	L241-I245 WeakPolarHBondContact O-CB 3.29Å; L241-I245 VanDerWaalsContact O-CD1 3.3Å; L241-I245 WeakPolarHBondContact O-CD1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.37Å; L241-I245 PolarHBondContact O-N 3.07Å; I245-S247 VanDerWaalsContact C-N 3.28Å; I245-S247 PolarHBondContact O-N 3.39Å; I245-F248 PolarHBondContact O-N 3.43Å; I245-Q249 HydrophobicContact CG2-CG 4.34Å; I245-Q249 WeakPolarHBondContact O-CB 3.47Å; I245-Q249 VanDerWaalsContact O-CG 3.23Å; I245-Q249 WeakPolarHBondContact O-CG 3.27Å; I245-Q249 PolarHBondContact O-N 3.24Å; I245-C289 HydrophobicContact CD1-CB 4.25Å; I245-C289 HydrophobicContact CG1-CB 3.48Å; I245-C289 VanDerWaalsContact CG1-CB 3.48Å; I245-L290 HydrophobicContact CD1-CD2 3.63Å; I245-L290 HydrophobicContact CD1-CG 3.84Å; I245-L290 HydrophobicContact CG1-CD2 4.39Å; I245-L290 HydrophobicContact CG1-CG 4.13Å; I245-L290 HydrophobicContact CG2-CD2 4.4Å; I245-L290 HydrophobicContact CG2-CG 4.32Å; I245-K293 HydrophobicContact CD1-CD 4.09Å
246	S	97.6	Very high	97	Very high	29 Å²	29	34.6 Å²	34.6	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-40.2	-178.7	-176.5	0	0	0	0	111.5	Q242 Q249 R250	Q242-S246 WeakPolarHBondContact O-CB 3.39Å; Q242-S246 PolarHBondContact O-N 2.64Å; S246-Q249 PolarHBondContact O-N 3.05Å; S246-R250 VanDerWaalsContact O-CB 3.31Å; S246-R250 WeakPolarHBondContact O-CB 3.24Å; S246-R250 WeakPolarHBondContact O-CG 3.3Å; S246-R250 PolarHBondContact O-N 3.44Å; S246-R250 PolarHBondContact OG-NE 3.27Å
247	S	97.9	Very high	97.2	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-46.2	178.4	-63	0	0	0	0	112.2	Y226 I229 E243 A244 I245 R250 A251	Y226-S247 WeakPolarHBondContact CB-O 3.46Å; Y226-S247 WeakPolarHBondContact O-CB 3.47Å; I229-S247 WeakPolarHBondContact CG2-OG 3.19Å; E243-S247 WeakPolarHBondContact O-CB 3.29Å; E243-S247 PolarHBondContact O-N 3.32Å; E243-S247 PolarHBondContact O-OG 3.34Å; A244-S247 PolarHBondContact O-N 2.87Å; I245-S247 VanDerWaalsContact C-N 3.28Å; I245-S247 PolarHBondContact O-N 3.39Å; S247-R250 PolarHBondContact O-N 2.86Å; S247-A251 WeakPolarHBondContact O-CB 3.38Å; S247-A251 PolarHBondContact O-N 3.34Å
248	F	98.6	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-37.4	177.2	-70.2	-54.4	0	0	0	112.9	L111 T231 A244 I245 R250 A251 A252 M282 Q285 A286	L111-F248 HydrophobicContact CB-CZ 4.27Å; L111-F248 HydrophobicContact CD1-CE2 3.47Å; L111-F248 VanDerWaalsContact CD1-CE2 3.47Å; L111-F248 HydrophobicContact CD1-CZ 3.63Å; T231-F248 HydrophobicContact CG2-CE1 4.23Å; T231-F248 HydrophobicContact CG2-CZ 3.92Å; A244-F248 HydrophobicContact CB-CE2 4.38Å; A244-F248 WeakPolarHBondContact O-CD2 3.15Å; A244-F248 PolarHBondContact O-N 3.46Å; I245-F248 PolarHBondContact O-N 3.43Å; F248-R250 VanDerWaalsContact C-N 3.32Å; F248-R250 PolarHBondContact O-N 3.08Å; F248-A251 PolarHBondContact O-N 2.96Å; F248-A252 WeakPolarHBondContact O-CB 3.3Å; F248-A252 PolarHBondContact O-N 3.41Å; F248-M282 WeakPolarHBondContact CB-O 3.43Å; F248-M282 HydrophobicContact CD1-SD 3.81Å; F248-M282 HydrophobicContact CE1-SD 4.36Å; F248-Q285 HydrophobicContact CD1-CB 4.18Å; F248-Q285 HydrophobicContact CD2-CB 3.92Å; F248-Q285 HydrophobicContact CE1-CB 4.23Å; F248-Q285 HydrophobicContact CE2-CB 3.98Å; F248-Q285 HydrophobicContact CG-CB 4.04Å; F248-Q285 HydrophobicContact CZ-CB 4.13Å; F248-A286 HydrophobicContact CB-CB 3.88Å
249	Q	98.4	Very high	97.2	Very high	35 Å²	35	29.9 Å²	29.9	16%	0.164	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-41	173.8	-69.5	-179.4	-42.2	0	0	111.7	I245 S246 A252 G253 A286 E480 E482	I245-Q249 HydrophobicContact CG2-CG 4.34Å; I245-Q249 WeakPolarHBondContact O-CB 3.47Å; I245-Q249 VanDerWaalsContact O-CG 3.23Å; I245-Q249 WeakPolarHBondContact O-CG 3.27Å; I245-Q249 PolarHBondContact O-N 3.24Å; S246-Q249 PolarHBondContact O-N 3.05Å; Q249-A252 PolarHBondContact O-N 3.01Å; Q249-G253 PolarHBondContact O-N 3.42Å; Q249-A286 HydrophobicContact CG-CB 4.15Å; Q249-E480 VanDerWaalsContact CB-O 3.28Å; Q249-E480 WeakPolarHBondContact CB-O 3.48Å; Q249-E480 WeakPolarHBondContact CG-O 3.36Å; Q249-E480 PolarHBondContact NE2-O 3.15Å; Q249-E482 HydrophobicContact CB-CB 4.12Å; Q249-E482 PolarHBondContact O-N 3.47Å
250	R	98	Very high	97.1	Very high	66 Å²	66	28.5 Å²	28.5	25%	0.249	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-40.8	173.8	-75	178.1	-177.3	167.3	9.7	113.1	E164 Y226 S246 S247 F248 A252 G253 M254 E482 P484	E164-R250 IonicContact OE1-NH1 2.65Å; Y226-R250 HydrophobicContact CD1-CB 4.02Å; Y226-R250 HydrophobicContact CD2-CB 3.92Å; Y226-R250 HydrophobicContact CE1-CB 4.19Å; Y226-R250 HydrophobicContact CE2-CB 4.06Å; Y226-R250 HydrophobicContact CG-CB 3.91Å; S246-R250 VanDerWaalsContact O-CB 3.31Å; S246-R250 WeakPolarHBondContact O-CB 3.24Å; S246-R250 WeakPolarHBondContact O-CG 3.3Å; S246-R250 PolarHBondContact O-N 3.44Å; S246-R250 PolarHBondContact OG-NE 3.27Å; S247-R250 PolarHBondContact O-N 2.86Å; F248-R250 VanDerWaalsContact C-N 3.32Å; F248-R250 PolarHBondContact O-N 3.08Å; R250-A252 VanDerWaalsContact C-N 3.34Å; R250-A252 PolarHBondContact O-N 3.34Å; R250-G253 PolarHBondContact O-N 2.9Å; R250-M254 WeakPolarHBondContact O-CG 3.41Å; R250-M254 PolarHBondContact O-N 3.2Å; R250-E482 WeakPolarHBondContact CA-O 3.38Å; R250-E482 HydrophobicContact CG-CB 4.3Å; R250-E482 HydrophobicContact CG-CG 4.37Å; R250-E482 IonicContact CZ-OE1 3.78Å; R250-E482 IonicContact NE-OE1 3.87Å; R250-E482 PolarHBondContact NE-OE1 3.47Å; R250-E482 IonicContact NE-OE2 2.7Å; R250-E482 IonicContact NH2-OE1 3.84Å; R250-E482 PolarHBondContact NH2-OE1 2.56Å; R250-P484 HydrophobicContact CB-CG 3.87Å; R250-P484 HydrophobicContact CG-CG 3.91Å
251	A	98.4	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-46.2	173.5	0	0	0	0	0	111.2	A223 S247 F248 G253 M254 L255 M282	A223-A251 WeakPolarHBondContact O-CB 3.15Å; S247-A251 WeakPolarHBondContact O-CB 3.38Å; S247-A251 PolarHBondContact O-N 3.34Å; F248-A251 PolarHBondContact O-N 2.96Å; A251-G253 PolarHBondContact O-N 3.09Å; A251-M254 PolarHBondContact O-N 3.4Å; A251-L255 WeakPolarHBondContact O-CG 3.33Å; A251-L255 PolarHBondContact O-N 3.1Å; A251-M282 HydrophobicContact CB-CG 3.9Å; A251-M282 HydrophobicContact CB-SD 3.81Å
252	A	98.5	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-43.2	175.1	0	0	0	0	0	112.1	F248 Q249 R250 L255 S256 I279 M282 I283 M481	F248-A252 WeakPolarHBondContact O-CB 3.3Å; F248-A252 PolarHBondContact O-N 3.41Å; Q249-A252 PolarHBondContact O-N 3.01Å; R250-A252 VanDerWaalsContact C-N 3.34Å; R250-A252 PolarHBondContact O-N 3.34Å; A252-L255 PolarHBondContact O-N 3.37Å; A252-S256 WeakPolarHBondContact O-CB 3.37Å; A252-S256 PolarHBondContact O-N 3.3Å; A252-I279 HydrophobicContact CB-CG2 4.37Å; A252-M282 HydrophobicContact CB-CB 3.95Å; A252-I283 HydrophobicContact CB-CD1 3.74Å; A252-I283 HydrophobicContact CB-CG1 4.1Å; A252-M481 HydrophobicContact CB-CB 3.96Å
253	G	97.6	Very high	96.1	Very high	4 Å²	4	32 Å²	32	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-41.4	177.3	0	0	0	0	0	113.3	Q249 R250 A251 S256 H257 E482	Q249-G253 PolarHBondContact O-N 3.42Å; R250-G253 PolarHBondContact O-N 2.9Å; A251-G253 PolarHBondContact O-N 3.09Å; G253-S256 WeakPolarHBondContact O-CB 3.23Å; G253-S256 PolarHBondContact O-N 2.89Å; G253-H257 PolarHBondContact O-N 2.92Å; G253-E482 WeakPolarHBondContact CA-O 3.3Å
254	M	97.3	Very high	95.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-40.3	175.6	-69.4	-52.7	-73.6	0	0	112.5	V219 M222 A223 Y226 R250 A251 H257 L258 L483 P484	V219-M254 HydrophobicContact CG1-CE 3.98Å; V219-M254 WeakPolarHBondContact CG1-O 3.37Å; M222-M254 HydrophobicContact CB-CE 3.85Å; M222-M254 HydrophobicContact CE-CE 3.5Å; M222-M254 HydrophobicContact CG-CE 4.44Å; M222-M254 HydrophobicContact SD-CE 3.83Å; A223-M254 HydrophobicContact CB-CB 3.74Å; Y226-M254 HydrophobicContact CD2-CG 4.22Å; Y226-M254 HydrophobicContact CE2-CG 4.3Å; R250-M254 WeakPolarHBondContact O-CG 3.41Å; R250-M254 PolarHBondContact O-N 3.2Å; A251-M254 PolarHBondContact O-N 3.4Å; M254-H257 PolarHBondContact O-N 3.17Å; M254-L258 WeakPolarHBondContact O-CB 3.49Å; M254-L258 PolarHBondContact O-N 3.31Å; M254-L483 HydrophobicContact SD-CD1 4.24Å; M254-P484 HydrophobicContact CG-CG 3.79Å; M254-P484 WeakPolarHBondContact SD-CD 3.37Å; M254-P484 HydrophobicContact SD-CG 3.73Å
255	L	97.8	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-37.8	173.4	-71.6	168.3	0	0	0	112.2	L114 F220 A223 A251 A252 L258 K259 V275 L278 I279 M282	L114-L255 HydrophobicContact CD1-CD1 4.23Å; F220-L255 HydrophobicContact CD2-CD2 4.34Å; F220-L255 HydrophobicContact CE2-CD2 4.49Å; A223-L255 HydrophobicContact CB-CD2 3.99Å; A223-L255 HydrophobicContact CB-CG 3.74Å; A251-L255 WeakPolarHBondContact O-CG 3.33Å; A251-L255 PolarHBondContact O-N 3.1Å; A252-L255 PolarHBondContact O-N 3.37Å; L255-L258 HydrophobicContact CD2-CD2 4.37Å; L255-L258 WeakPolarHBondContact O-CB 3.36Å; L255-L258 PolarHBondContact O-N 2.9Å; L255-K259 WeakPolarHBondContact O-CB 3.4Å; L255-K259 PolarHBondContact O-N 3.03Å; L255-V275 HydrophobicContact CB-CG1 4Å; L255-V275 HydrophobicContact CD2-CG1 4.3Å; L255-V275 VanDerWaalsContact O-CG1 3.29Å; L255-V275 WeakPolarHBondContact O-CG1 3.47Å; L255-L278 HydrophobicContact CD1-CB 3.72Å; L255-L278 HydrophobicContact CD2-CD1 4.45Å; L255-I279 HydrophobicContact CB-CD1 4.12Å; L255-I279 HydrophobicContact CB-CG1 3.49Å; L255-I279 VanDerWaalsContact CB-CG1 3.49Å; L255-I279 HydrophobicContact CD1-CG1 4.27Å; L255-M282 HydrophobicContact CD1-CG 4.09Å
256	S	96.8	Very high	94.3	Very high	40 Å²	40	37.9 Å²	37.9	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-44.9	174.6	-172.6	0	0	0	0	111.2	A252 G253 L258 K259 A260 M481	A252-S256 WeakPolarHBondContact O-CB 3.37Å; A252-S256 PolarHBondContact O-N 3.3Å; G253-S256 WeakPolarHBondContact O-CB 3.23Å; G253-S256 PolarHBondContact O-N 2.89Å; S256-L258 PolarHBondContact O-N 2.96Å; S256-K259 PolarHBondContact O-N 3.43Å; S256-A260 PolarHBondContact O-N 3.18Å; S256-M481 PolarHBondContact OG-SD 3.26Å; S256-M481 VanDerWaalsContact OG-SD 3.38Å
257	H	95.4	Very high	93.8	Very high	44 Å²	44	36.8 Å²	36.8	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-42.9	173.6	177.1	62.4	0	0	0	112.4	G253 M254 A260 T261 L483	G253-H257 PolarHBondContact O-N 2.92Å; M254-H257 PolarHBondContact O-N 3.17Å; H257-A260 PolarHBondContact O-N 3.43Å; H257-T261 PolarHBondContact CE1-OG1 3.1Å; H257-T261 PolarHBondContact ND1-OG1 3.45Å; H257-T261 VanDerWaalsContact O-CB 3.27Å; H257-T261 WeakPolarHBondContact O-CB 3.09Å; H257-T261 PolarHBondContact O-N 3.46Å; H257-T261 PolarHBondContact O-OG1 3.49Å; H257-L483 HydrophobicContact CB-CD1 3.84Å
258	L	95.6	Very high	93.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-50.6	174.3	176.6	65	0	0	0	111.3	A216 V219 F220 M254 L255 S256 A260 T261 F262 M270 V275	A216-L258 HydrophobicContact CB-CD1 3.77Å; A216-L258 WeakPolarHBondContact O-CD1 3.47Å; V219-L258 HydrophobicContact CB-CD1 4.4Å; V219-L258 HydrophobicContact CG1-CB 3.81Å; V219-L258 HydrophobicContact CG1-CD1 4.44Å; F220-L258 HydrophobicContact CB-CD2 4.06Å; F220-L258 HydrophobicContact CD2-CD2 3.93Å; M254-L258 WeakPolarHBondContact O-CB 3.49Å; M254-L258 PolarHBondContact O-N 3.31Å; L255-L258 HydrophobicContact CD2-CD2 4.37Å; L255-L258 WeakPolarHBondContact O-CB 3.36Å; L255-L258 PolarHBondContact O-N 2.9Å; S256-L258 PolarHBondContact O-N 2.96Å; L258-A260 VanDerWaalsContact C-N 3.35Å; L258-A260 PolarHBondContact O-N 2.98Å; L258-T261 PolarHBondContact O-N 2.93Å; L258-F262 HydrophobicContact CD1-CB 4.24Å; L258-F262 HydrophobicContact CD1-CD2 3.83Å; L258-F262 HydrophobicContact CD1-CG 4.38Å; L258-F262 PolarHBondContact O-N 3.18Å; L258-M270 HydrophobicContact CD1-SD 4.23Å; L258-M270 HydrophobicContact CD2-CG 4.09Å; L258-M270 HydrophobicContact CD2-SD 4.41Å; L258-V275 HydrophobicContact CD2-CG2 4.3Å
259	K	94.8	Very high	93	Very high	92 Å²	92	39 Å²	39	40%	0.4	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-41.3	-179.6	-176	-179.8	169.9	-173.5	0	112.4	L255 S256 V275 S276 I279	L255-K259 WeakPolarHBondContact O-CB 3.4Å; L255-K259 PolarHBondContact O-N 3.03Å; S256-K259 PolarHBondContact O-N 3.43Å; K259-V275 HydrophobicContact CB-CG1 3.88Å; K259-S276 WeakPolarHBondContact CE-OG 3.35Å; K259-S276 PolarHBondContact NZ-OG 2.71Å; K259-I279 HydrophobicContact CD-CD1 4.5Å
260	A	94.3	Very high	92.8	Very high	76 Å²	76	37.8 Å²	37.8	63%	0.628	21%	0.206	S	C	*	.	H	α-helix	trans	-73.9	-36.1	-178.6	0	0	0	0	0	112.8	S256 H257 L258	S256-A260 PolarHBondContact O-N 3.18Å; H257-A260 PolarHBondContact O-N 3.43Å; L258-A260 VanDerWaalsContact C-N 3.35Å; L258-A260 PolarHBondContact O-N 2.98Å
261	T	93.3	Very high	92.6	Very high	70 Å²	70	35.8 Å²	35.8	43%	0.429	20%	0.202	S	C	.	.	H	α-helix	trans	-92.2	-34.9	-170.5	-50.8	0	0	0	0	112.8	H257 L258	H257-T261 PolarHBondContact CE1-OG1 3.1Å; H257-T261 PolarHBondContact ND1-OG1 3.45Å; H257-T261 VanDerWaalsContact O-CB 3.27Å; H257-T261 WeakPolarHBondContact O-CB 3.09Å; H257-T261 PolarHBondContact O-N 3.46Å; H257-T261 PolarHBondContact O-OG1 3.49Å; L258-T261 PolarHBondContact O-N 2.93Å
262	F	91.5	Very high	92.3	Very high	24 Å²	24	39.4 Å²	39.4	11%	0.105	23%	0.226	C	C	.	.			trans	-120.9	70.6	-169.5	-58	-80.3	0	0	0	112.2	Y174 K215 A216 V219 L258 H264 I265	Y174-F262 HydrophobicContact CE2-CZ 4.43Å; K215-F262 HydrophobicContact CB-CE1 3.7Å; K215-F262 HydrophobicContact CB-CZ 3.63Å; K215-F262 HydrophobicContact CD-CE1 4.41Å; A216-F262 HydrophobicContact CB-CB 3.98Å; A216-F262 HydrophobicContact CB-CD1 3.96Å; A216-F262 HydrophobicContact CB-CD2 4.06Å; A216-F262 HydrophobicContact CB-CE1 4.48Å; A216-F262 HydrophobicContact CB-CG 3.74Å; V219-F262 HydrophobicContact CG2-CE2 4.23Å; L258-F262 HydrophobicContact CD1-CB 4.24Å; L258-F262 HydrophobicContact CD1-CD2 3.83Å; L258-F262 HydrophobicContact CD1-CG 4.38Å; L258-F262 PolarHBondContact O-N 3.18Å; F262-H264 PolarHBondContact O-N 3.4Å; F262-I265 HydrophobicContact CB-CD1 4.24Å; F262-I265 HydrophobicContact CB-CG1 3.76Å; F262-I265 HydrophobicContact CD1-CD1 4.49Å
263	T	83.8	Confident	92	Very high	80 Å²	80	41.4 Å²	41.4	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.6	-169.8	55.2	0	0	0	0	116
264	H	81.3	Confident	91.9	Very high	141 Å²	141	41.2 Å²	41.2	65%	0.653	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.9	27.1	-169.8	-61.5	-57.5	0	0	0	114	F262 P266	F262-H264 PolarHBondContact O-N 3.4Å; H264-P266 WeakPolarHBondContact O-CD 3.47Å
265	I	87.1	Confident	91.8	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.087	24%	0.24	C	C	.	.			trans	-75.4	123.2	176.6	-53.1	-62.4	0	0	0	109.3	L213 A216 F262 S267 M270	L213-I265 HydrophobicContact CD1-CG2 3.63Å; A216-I265 HydrophobicContact CB-CD1 3.97Å; A216-I265 HydrophobicContact CB-CG1 3.81Å; F262-I265 HydrophobicContact CB-CD1 4.24Å; F262-I265 HydrophobicContact CB-CG1 3.76Å; F262-I265 HydrophobicContact CD1-CD1 4.49Å; I265-S267 PolarHBondContact O-N 3.01Å; I265-M270 HydrophobicContact CB-CE 4.46Å; I265-M270 HydrophobicContact CG2-CE 3.47Å; I265-M270 VanDerWaalsContact CG2-CE 3.47Å; I265-M270 HydrophobicContact CG2-SD 4.32Å
266	P	86.3	Confident	91.8	Very high	70 Å²	70	42.8 Å²	42.8	46%	0.455	25%	0.252	S	S	.	.			trans	-83.3	50.6	-176.2	35	-35.1	0	0	0	111.4	V206 Q208 H264	V206-P266 HydrophobicContact CG1-CG 3.81Å; V206-P266 VanDerWaalsContact CG2-O 3.28Å; V206-P266 WeakPolarHBondContact CG2-O 3.49Å; Q208-P266 VanDerWaalsContact NE2-CG 3.33Å; H264-P266 WeakPolarHBondContact O-CD 3.47Å
267	S	87.1	Confident	91.8	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.042	24%	0.238	C	C	.	.			trans	-124.9	134.7	175.1	-160.8	0	0	0	0	108.2	K117 D199 I265 D269 M270 S271	K117-S267 PolarHBondContact NZ-OG 3.46Å; D199-S267 PolarHBondContact OD2-OG 3.46Å; I265-S267 PolarHBondContact O-N 3.01Å; S267-D269 VanDerWaalsContact CB-OD1 3.24Å; S267-D269 WeakPolarHBondContact CB-OD1 3.41Å; S267-D269 PolarHBondContact OG-OD1 2.98Å; S267-M270 CarbonylContact O-C 3.56Å; S267-M270 PolarHBondContact O-N 3.43Å; S267-S271 PolarHBondContact O-N 2.57Å
268	Y	88.8	Confident	92	Very high	49 Å²	49	38.8 Å²	38.8	19%	0.192	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-72	-39.2	-170.3	171.4	-92.7	0	0	0	111.8	D199 T202 M270 S271 M274 P331 I332 N335	D199-Y268 WeakPolarHBondContact OD2-CA 3.46Å; D199-Y268 WeakPolarHBondContact OD2-CB 3.12Å; D199-Y268 PolarHBondContact OD2-N 2.94Å; T202-Y268 HydrophobicContact CG2-CD1 4.32Å; Y268-M270 PolarHBondContact O-N 2.83Å; Y268-M270 VanDerWaalsContact O-N 3.12Å; Y268-S271 VanDerWaalsContact O-CB 3.23Å; Y268-S271 WeakPolarHBondContact O-CB 3.43Å; Y268-S271 PolarHBondContact O-N 2.79Å; Y268-S271 PolarHBondContact O-OG 3.33Å; Y268-M274 HydrophobicContact CD1-CE 4.21Å; Y268-M274 HydrophobicContact CE1-CE 3.23Å; Y268-M274 WeakPolarHBondContact O-CB 3.38Å; Y268-M274 WeakPolarHBondContact OH-CE 3.46Å; Y268-P331 HydrophobicContact CE2-CB 4.33Å; Y268-P331 HydrophobicContact CE2-CG 4.35Å; Y268-P331 PolarHBondContact OH-O 3.46Å; Y268-I332 WeakPolarHBondContact OH-CA 3.34Å; Y268-N335 HydrophobicContact CD1-CB 4.02Å; Y268-N335 HydrophobicContact CE1-CB 3.22Å; Y268-N335 WeakPolarHBondContact OH-CB 3.31Å; Y268-N335 PolarHBondContact OH-ND2 3.18Å
269	D	91.9	Very high	92.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.7	-19.2	173.3	66.8	-15.3	0	0	0	114.5	K117 D199 S200 F201 F220 S267	K117-D269 WeakPolarHBondContact CD-OD2 3.28Å; K117-D269 IonicContact NZ-OD1 3.47Å; K117-D269 PolarHBondContact NZ-OD1 3.01Å; K117-D269 IonicContact NZ-OD2 3.12Å; K117-D269 PolarHBondContact NZ-OD2 3.14Å; D199-D269 WeakPolarHBondContact OD2-CB 3.46Å; D199-D269 PolarHBondContact OD2-N 3.04Å; S200-D269 WeakPolarHBondContact CB-OD2 3.49Å; S200-D269 PolarHBondContact N-OD2 2.98Å; S200-D269 WeakPolarHBondContact OG-CB 3.45Å; S200-D269 PolarHBondContact OG-OD2 3.45Å; F201-D269 HydrophobicContact CD2-CB 3.66Å; F201-D269 HydrophobicContact CE2-CB 4.12Å; F220-D269 HydrophobicContact CE2-CB 4.42Å; S267-D269 VanDerWaalsContact CB-OD1 3.24Å; S267-D269 WeakPolarHBondContact CB-OD1 3.41Å; S267-D269 PolarHBondContact OG-OD1 2.98Å
270	M	94.1	Very high	92.3	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.049	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-110.4	11.9	176.2	-62.8	-175.2	-78.3	0	0	112.7	K117 L213 A216 F220 L258 I265 S267 Y268	K117-M270 HydrophobicContact CD-CE 4.34Å; K117-M270 HydrophobicContact CD-SD 4.4Å; L213-M270 HydrophobicContact CD1-CE 3.98Å; A216-M270 HydrophobicContact CB-SD 3.96Å; F220-M270 HydrophobicContact CB-SD 4.43Å; F220-M270 HydrophobicContact CD2-CG 4.06Å; L258-M270 HydrophobicContact CD1-SD 4.23Å; L258-M270 HydrophobicContact CD2-CG 4.09Å; L258-M270 HydrophobicContact CD2-SD 4.41Å; I265-M270 HydrophobicContact CB-CE 4.46Å; I265-M270 HydrophobicContact CG2-CE 3.47Å; I265-M270 VanDerWaalsContact CG2-CE 3.47Å; I265-M270 HydrophobicContact CG2-SD 4.32Å; S267-M270 CarbonylContact O-C 3.56Å; S267-M270 PolarHBondContact O-N 3.43Å; Y268-M270 PolarHBondContact O-N 2.83Å; Y268-M270 VanDerWaalsContact O-N 3.12Å
271	S	92.5	Very high	92.5	Very high	24 Å²	24	33.7 Å²	33.7	17%	0.168	19%	0.193	C	C	.	.	S	Bend	trans	-66.9	147.8	173.6	69.2	0	0	0	0	111	S267 Y268 A273 M274 V275	S267-S271 PolarHBondContact O-N 2.57Å; Y268-S271 VanDerWaalsContact O-CB 3.23Å; Y268-S271 WeakPolarHBondContact O-CB 3.43Å; Y268-S271 PolarHBondContact O-N 2.79Å; Y268-S271 PolarHBondContact O-OG 3.33Å; S271-A273 PolarHBondContact O-N 3.07Å; S271-A273 VanDerWaalsContact O-N 3.17Å; S271-M274 PolarHBondContact O-N 3.38Å; S271-M274 VanDerWaalsContact O-N 3.12Å; S271-M274 VanDerWaalsContact OG-CB 3.24Å; S271-M274 WeakPolarHBondContact OG-CB 3.41Å; S271-M274 PolarHBondContact OG-N 3.25Å; S271-V275 WeakPolarHBondContact O-CG2 3.4Å; S271-V275 PolarHBondContact O-N 3.33Å
272	P	92.4	Very high	92.7	Very high	76 Å²	76	30.3 Å²	30.3	49%	0.494	17%	0.173	S	C	.	.	H	α-helix	trans	-56.4	-37	-177.1	-28.2	35.2	0	0	0	114.1	S276	P272-S276 WeakPolarHBondContact O-CB 3.28Å; P272-S276 PolarHBondContact O-N 3.16Å; P272-S276 PolarHBondContact O-OG 3.34Å
273	A	93	Very high	93.1	Very high	43 Å²	43	30 Å²	30	36%	0.355	17%	0.172	S	C	.	.	H	α-helix	trans	-67.1	-48.7	177.4	0	0	0	0	0	111.3	S271 S276 M277 I332	S271-A273 PolarHBondContact O-N 3.07Å; S271-A273 VanDerWaalsContact O-N 3.17Å; A273-S276 PolarHBondContact O-N 3.08Å; A273-M277 PolarHBondContact O-N 2.89Å; A273-M277 VanDerWaalsContact O-N 3.08Å; A273-I332 HydrophobicContact CB-CD1 4.2Å; A273-I332 HydrophobicContact CB-CG1 4.45Å
274	M	94.8	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-50.8	177.8	-178.8	52	75.1	0	0	111.4	F201 Y268 S271 S276 M277 L278 I332 V336	F201-M274 HydrophobicContact CE2-SD 4.5Å; Y268-M274 HydrophobicContact CD1-CE 4.21Å; Y268-M274 HydrophobicContact CE1-CE 3.23Å; Y268-M274 WeakPolarHBondContact O-CB 3.38Å; Y268-M274 WeakPolarHBondContact OH-CE 3.46Å; S271-M274 PolarHBondContact O-N 3.38Å; S271-M274 VanDerWaalsContact O-N 3.12Å; S271-M274 VanDerWaalsContact OG-CB 3.24Å; S271-M274 WeakPolarHBondContact OG-CB 3.41Å; S271-M274 PolarHBondContact OG-N 3.25Å; M274-S276 VanDerWaalsContact C-N 3.26Å; M274-S276 PolarHBondContact O-N 3.01Å; M274-M277 HydrophobicContact CE-CE 4.28Å; M274-M277 WeakPolarHBondContact O-CB 3.43Å; M274-M277 PolarHBondContact O-N 3Å; M274-M277 HydrophobicContact SD-CE 3.25Å; M274-M277 WeakPolarHBondContact SD-CE 3.45Å; M274-L278 HydrophobicContact CG-CD1 4.21Å; M274-L278 HydrophobicContact CG-CG 4.38Å; M274-L278 WeakPolarHBondContact O-CG 3.45Å; M274-L278 PolarHBondContact O-N 3.15Å; M274-L278 HydrophobicContact SD-CD1 4.47Å; M274-L278 HydrophobicContact SD-CD2 4.28Å; M274-L278 HydrophobicContact SD-CG 4.15Å; M274-I332 HydrophobicContact CE-CG2 4.19Å; M274-V336 HydrophobicContact CE-CG2 3.64Å; M274-V336 HydrophobicContact SD-CG2 4.28Å
275	V	96.4	Very high	94.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-35.6	-179.6	179	0	0	0	0	111.5	L255 L258 K259 S271 L278 I279	L255-V275 HydrophobicContact CB-CG1 4Å; L255-V275 HydrophobicContact CD2-CG1 4.3Å; L255-V275 VanDerWaalsContact O-CG1 3.29Å; L255-V275 WeakPolarHBondContact O-CG1 3.47Å; L258-V275 HydrophobicContact CD2-CG2 4.3Å; K259-V275 HydrophobicContact CB-CG1 3.88Å; S271-V275 WeakPolarHBondContact O-CG2 3.4Å; S271-V275 PolarHBondContact O-N 3.33Å; V275-L278 PolarHBondContact O-N 2.93Å; V275-I279 HydrophobicContact CG1-CD1 4.02Å; V275-I279 HydrophobicContact CG1-CG1 4.42Å; V275-I279 VanDerWaalsContact O-CG1 3.23Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.27Å
276	S	96.6	Very high	95.2	Very high	34 Å²	34	18.8 Å²	18.8	24%	0.238	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-41.4	174.9	-55.7	0	0	0	0	112.3	K259 P272 A273 M274 I279 Q280	K259-S276 WeakPolarHBondContact CE-OG 3.35Å; K259-S276 PolarHBondContact NZ-OG 2.71Å; P272-S276 WeakPolarHBondContact O-CB 3.28Å; P272-S276 PolarHBondContact O-N 3.16Å; P272-S276 PolarHBondContact O-OG 3.34Å; A273-S276 PolarHBondContact O-N 3.08Å; M274-S276 VanDerWaalsContact C-N 3.26Å; M274-S276 PolarHBondContact O-N 3.01Å; S276-I279 PolarHBondContact O-N 2.94Å; S276-Q280 PolarHBondContact O-N 3.42Å
277	M	97.8	Very high	95.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-43.6	174.1	-177.8	-76.5	-62.6	0	0	111.3	A273 M274 I279 Q280 L281 L326 M327 I332 V336	A273-M277 PolarHBondContact O-N 2.89Å; A273-M277 VanDerWaalsContact O-N 3.08Å; M274-M277 HydrophobicContact CE-CE 4.28Å; M274-M277 WeakPolarHBondContact O-CB 3.43Å; M274-M277 PolarHBondContact O-N 3Å; M274-M277 HydrophobicContact SD-CE 3.25Å; M274-M277 WeakPolarHBondContact SD-CE 3.45Å; M277-I279 PolarHBondContact O-N 2.89Å; M277-Q280 PolarHBondContact O-N 2.94Å; M277-L281 PolarHBondContact O-N 2.64Å; M277-L326 HydrophobicContact CB-CB 4.11Å; M277-L326 HydrophobicContact CB-CD1 4.39Å; M277-L326 HydrophobicContact CG-CB 3.83Å; M277-M327 HydrophobicContact CE-CE 4.41Å; M277-M327 HydrophobicContact CG-CG 3.91Å; M277-M327 HydrophobicContact SD-CE 3.39Å; M277-M327 WeakPolarHBondContact SD-CE 3.47Å; M277-M327 HydrophobicContact SD-CG 3.81Å; M277-M327 HydrophobicContact SD-SD 4.46Å; M277-I332 HydrophobicContact CB-CD1 3.92Å; M277-I332 HydrophobicContact CE-CG2 4.29Å; M277-I332 HydrophobicContact CG-CD1 4.44Å; M277-I332 HydrophobicContact CG-CG2 4.38Å; M277-V336 HydrophobicContact CE-CG2 3.74Å
278	L	98.1	Very high	96.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-40.4	177	-61.9	179.2	0	0	0	112.3	L114 F201 F220 L255 M274 V275 L281 M282 W340	L114-L278 HydrophobicContact CD2-CD2 3.83Å; F201-L278 HydrophobicContact CE2-CD1 4.21Å; F201-L278 HydrophobicContact CE2-CD2 4.46Å; F201-L278 HydrophobicContact CZ-CD1 4.35Å; F201-L278 HydrophobicContact CZ-CD2 3.81Å; F220-L278 HydrophobicContact CE2-CD1 4.03Å; F220-L278 HydrophobicContact CZ-CD1 4.47Å; L255-L278 HydrophobicContact CD1-CB 3.72Å; L255-L278 HydrophobicContact CD2-CD1 4.45Å; M274-L278 HydrophobicContact CG-CD1 4.21Å; M274-L278 HydrophobicContact CG-CG 4.38Å; M274-L278 WeakPolarHBondContact O-CG 3.45Å; M274-L278 PolarHBondContact O-N 3.15Å; M274-L278 HydrophobicContact SD-CD1 4.47Å; M274-L278 HydrophobicContact SD-CD2 4.28Å; M274-L278 HydrophobicContact SD-CG 4.15Å; V275-L278 PolarHBondContact O-N 2.93Å; L278-L281 PolarHBondContact O-N 2.66Å; L278-M282 WeakPolarHBondContact O-CG 3.46Å; L278-M282 PolarHBondContact O-N 3.41Å; L278-W340 HydrophobicContact CD2-CZ3 3.86Å
279	I	98.5	Very high	96.7	Very high	15 Å²	15	12.9 Å²	12.9	8%	0.077	8%	0.082	C	C	.	.	H	α-helix	trans	-58.3	-49.8	173.2	-70.5	163.4	0	0	0	109.9	A252 L255 K259 V275 S276 M277 L281 M282 I283 M481	A252-I279 HydrophobicContact CB-CG2 4.37Å; L255-I279 HydrophobicContact CB-CD1 4.12Å; L255-I279 HydrophobicContact CB-CG1 3.49Å; L255-I279 VanDerWaalsContact CB-CG1 3.49Å; L255-I279 HydrophobicContact CD1-CG1 4.27Å; K259-I279 HydrophobicContact CD-CD1 4.5Å; V275-I279 HydrophobicContact CG1-CD1 4.02Å; V275-I279 HydrophobicContact CG1-CG1 4.42Å; V275-I279 VanDerWaalsContact O-CG1 3.23Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.27Å; S276-I279 PolarHBondContact O-N 2.94Å; M277-I279 PolarHBondContact O-N 2.89Å; I279-L281 VanDerWaalsContact C-N 3.3Å; I279-L281 PolarHBondContact O-N 3.23Å; I279-M282 PolarHBondContact O-N 3.09Å; I279-I283 HydrophobicContact CG2-CG1 4.48Å; I279-I283 WeakPolarHBondContact O-CG1 3.49Å; I279-I283 PolarHBondContact O-N 2.64Å; I279-M481 HydrophobicContact CG2-CE 4.07Å
280	Q	98.3	Very high	97	Very high	47 Å²	47	13.7 Å²	13.7	22%	0.22	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-39.1	-179.2	-166.5	65.9	13.5	0	0	111.8	S276 M277 I283 A284 V323 L326	S276-Q280 PolarHBondContact O-N 3.42Å; M277-Q280 PolarHBondContact O-N 2.94Å; Q280-I283 PolarHBondContact O-N 2.88Å; Q280-A284 WeakPolarHBondContact O-CB 3.09Å; Q280-A284 PolarHBondContact O-N 3.09Å; Q280-V323 HydrophobicContact CB-CG2 4.11Å; Q280-V323 HydrophobicContact CG-CG2 3.61Å; Q280-L326 HydrophobicContact CB-CD1 3.95Å; Q280-L326 HydrophobicContact CG-CD1 4.15Å
281	L	98.6	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-44.1	174.6	177.1	63.7	0	0	0	112	I112 M277 L278 I279 I283 A284 Q285 Y320 V323 M327 W340	I112-L281 HydrophobicContact CB-CD2 4.34Å; I112-L281 HydrophobicContact CD1-CD1 4.22Å; I112-L281 HydrophobicContact CD1-CD2 4.48Å; I112-L281 HydrophobicContact CG2-CD2 4.09Å; M277-L281 PolarHBondContact O-N 2.64Å; L278-L281 PolarHBondContact O-N 2.66Å; I279-L281 VanDerWaalsContact C-N 3.3Å; I279-L281 PolarHBondContact O-N 3.23Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 2.86Å; L281-A284 WeakPolarHBondContact O-CB 3.37Å; L281-A284 PolarHBondContact O-N 3.4Å; L281-Q285 WeakPolarHBondContact O-CG 3.41Å; L281-Q285 PolarHBondContact O-N 3.32Å; L281-Q285 VanDerWaalsContact O-N 3.09Å; L281-Y320 HydrophobicContact CD1-CE1 4.37Å; L281-V323 HydrophobicContact CB-CG1 4.17Å; L281-V323 HydrophobicContact CD1-CG1 4.04Å; L281-M327 HydrophobicContact CD1-CE 4.38Å; L281-M327 HydrophobicContact CD2-CE 4.15Å; L281-W340 HydrophobicContact CD2-CE3 3.76Å; L281-W340 HydrophobicContact CD2-CZ3 3.69Å
282	M	98.7	Very high	97.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176.9	-64.8	-57.6	94	0	0	111.5	L114 S227 F248 A251 A252 L255 L278 I279 Q285 A286	L114-M282 HydrophobicContact CD2-CE 4.14Å; L114-M282 HydrophobicContact CG-CE 4.3Å; S227-M282 VanDerWaalsContact CB-SD 3.6Å; F248-M282 WeakPolarHBondContact CB-O 3.43Å; F248-M282 HydrophobicContact CD1-SD 3.81Å; F248-M282 HydrophobicContact CE1-SD 4.36Å; A251-M282 HydrophobicContact CB-CG 3.9Å; A251-M282 HydrophobicContact CB-SD 3.81Å; A252-M282 HydrophobicContact CB-CB 3.95Å; L255-M282 HydrophobicContact CD1-CG 4.09Å; L278-M282 WeakPolarHBondContact O-CG 3.46Å; L278-M282 PolarHBondContact O-N 3.41Å; I279-M282 PolarHBondContact O-N 3.09Å; M282-Q285 PolarHBondContact O-N 2.96Å; M282-A286 PolarHBondContact O-N 2.95Å
283	I	98.6	Very high	97.5	Very high	18 Å²	18	13.8 Å²	13.8	9%	0.092	8%	0.076	C	C	.	.	H	α-helix	trans	-65.6	-38.9	176.3	-64.1	-60	0	0	0	111.7	A252 I279 Q280 L281 Q285 A286 Q287 A479 M481	A252-I283 HydrophobicContact CB-CD1 3.74Å; A252-I283 HydrophobicContact CB-CG1 4.1Å; I279-I283 HydrophobicContact CG2-CG1 4.48Å; I279-I283 WeakPolarHBondContact O-CG1 3.49Å; I279-I283 PolarHBondContact O-N 2.64Å; Q280-I283 PolarHBondContact O-N 2.88Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 2.86Å; I283-Q285 PolarHBondContact O-N 3.25Å; I283-A286 PolarHBondContact O-N 3.31Å; I283-Q287 PolarHBondContact O-N 3.31Å; I283-A479 HydrophobicContact CG2-CB 4.17Å; I283-M481 HydrophobicContact CD1-CB 4.47Å
284	A	98.7	Very high	97.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-47	174.4	0	0	0	0	0	111.9	Q280 L281 A286 Q287 E288 I319 Y320 V323	Q280-A284 WeakPolarHBondContact O-CB 3.09Å; Q280-A284 PolarHBondContact O-N 3.09Å; L281-A284 WeakPolarHBondContact O-CB 3.37Å; L281-A284 PolarHBondContact O-N 3.4Å; A284-A286 PolarHBondContact O-N 2.96Å; A284-Q287 PolarHBondContact O-N 2.99Å; A284-E288 PolarHBondContact O-N 3.2Å; A284-I319 HydrophobicContact CB-CG2 3.58Å; A284-Y320 HydrophobicContact CB-CD1 3.96Å; A284-Y320 HydrophobicContact CB-CD2 4.37Å; A284-Y320 HydrophobicContact CB-CE1 3.64Å; A284-Y320 HydrophobicContact CB-CE2 4.09Å; A284-Y320 HydrophobicContact CB-CG 4.28Å; A284-V323 HydrophobicContact CB-CG2 3.89Å
285	Q	98.7	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67	-36.1	178.7	-67.4	-177.1	158.2	0	0	112.5	L111 I112 F248 L281 M282 I283 E288 C289 Y320	L111-Q285 HydrophobicContact CD2-CB 4.5Å; L111-Q285 HydrophobicContact CD2-CG 4.24Å; I112-Q285 VanDerWaalsContact CB-OE1 3.3Å; I112-Q285 PolarHBondContact O-NE2 2.9Å; I112-Q285 PolarHBondContact O-OE1 3.04Å; F248-Q285 HydrophobicContact CD1-CB 4.18Å; F248-Q285 HydrophobicContact CD2-CB 3.92Å; F248-Q285 HydrophobicContact CE1-CB 4.23Å; F248-Q285 HydrophobicContact CE2-CB 3.98Å; F248-Q285 HydrophobicContact CG-CB 4.04Å; F248-Q285 HydrophobicContact CZ-CB 4.13Å; L281-Q285 WeakPolarHBondContact O-CG 3.41Å; L281-Q285 PolarHBondContact O-N 3.32Å; L281-Q285 VanDerWaalsContact O-N 3.09Å; M282-Q285 PolarHBondContact O-N 2.96Å; I283-Q285 PolarHBondContact O-N 3.25Å; Q285-E288 PolarHBondContact O-N 3.35Å; Q285-C289 PolarHBondContact O-N 3.2Å; Q285-C289 PolarHBondContact O-SG 3.02Å; Q285-Y320 WeakPolarHBondContact CA-OH 3.31Å; Q285-Y320 WeakPolarHBondContact CG-OH 3.26Å; Q285-Y320 PolarHBondContact N-OH 3.15Å
286	A	98.6	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-40.9	172.3	0	0	0	0	0	111.7	F248 Q249 M282 I283 A284 C289 L290 A479	F248-A286 HydrophobicContact CB-CB 3.88Å; Q249-A286 HydrophobicContact CG-CB 4.15Å; M282-A286 PolarHBondContact O-N 2.95Å; I283-A286 PolarHBondContact O-N 3.31Å; A284-A286 PolarHBondContact O-N 2.96Å; A286-C289 PolarHBondContact O-N 2.6Å; A286-L290 WeakPolarHBondContact O-CG 3.46Å; A286-L290 PolarHBondContact O-N 2.99Å; A286-A479 HydrophobicContact CB-CB 3.66Å
287	Q	98.6	Very high	97.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-38.2	176.8	-165.7	70	46	0	0	112.1	I283 A284 C289 L290 F291 K315 V316 I319 T475 H477 A479	I283-Q287 PolarHBondContact O-N 3.31Å; A284-Q287 PolarHBondContact O-N 2.99Å; Q287-C289 VanDerWaalsContact C-N 3.34Å; Q287-C289 PolarHBondContact O-N 3.28Å; Q287-L290 WeakPolarHBondContact O-CB 3.39Å; Q287-L290 PolarHBondContact O-N 3.08Å; Q287-F291 PolarHBondContact O-N 3.32Å; Q287-K315 HydrophobicContact CG-CG 4.43Å; Q287-V316 HydrophobicContact CG-CG2 4.16Å; Q287-I319 HydrophobicContact CB-CD1 4.09Å; Q287-I319 HydrophobicContact CG-CD1 3.93Å; Q287-T475 PolarHBondContact NE2-OG1 3.49Å; Q287-T475 VanDerWaalsContact NE2-OG1 3.08Å; Q287-H477 PolarHBondContact NE2-O 3.46Å; Q287-H477 PolarHBondContact OE1-O 2.96Å; Q287-A479 HydrophobicContact CB-CB 4.32Å
288	E	98.3	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-47.8	171.3	-178.1	175.5	176.8	0	0	111.2	L111 A284 Q285 L290 F291 E292 V316 Y320 K347 Y351	L111-E288 VanDerWaalsContact CD2-OE2 3.28Å; L111-E288 WeakPolarHBondContact CD2-OE2 3.34Å; A284-E288 PolarHBondContact O-N 3.2Å; Q285-E288 PolarHBondContact O-N 3.35Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 2.88Å; E288-F291 WeakPolarHBondContact O-CB 3.47Å; E288-F291 PolarHBondContact O-N 2.93Å; E288-E292 WeakPolarHBondContact O-CG 3.46Å; E288-E292 PolarHBondContact O-N 3.34Å; E288-V316 HydrophobicContact CB-CG1 4.21Å; E288-Y320 HydrophobicContact CB-CE2 4.2Å; E288-Y320 WeakPolarHBondContact OE2-CE2 3.47Å; E288-Y320 PolarHBondContact OE2-OH 3.01Å; E288-K347 IonicContact OE1-NZ 2.8Å; E288-K347 PolarHBondContact OE1-NZ 2.82Å; E288-K347 IonicContact OE2-NZ 2.66Å; E288-K347 PolarHBondContact OE2-NZ 3.45Å; E288-Y351 HydrophobicContact CG-CE2 4.22Å; E288-Y351 VanDerWaalsContact CG-OH 3.24Å; E288-Y351 WeakPolarHBondContact CG-OH 3.1Å; E288-Y351 PolarHBondContact OE1-OH 2.97Å; E288-Y351 VanDerWaalsContact OE1-OH 3.11Å
289	C	98	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-32.9	177.2	-62.2	0	0	0	0	112.4	L241 A244 I245 Q285 A286 Q287 E292 K293	L241-C289 HydrophobicContact CD2-CB 4.16Å; A244-C289 HydrophobicContact CB-CB 4.46Å; I245-C289 HydrophobicContact CD1-CB 4.25Å; I245-C289 HydrophobicContact CG1-CB 3.48Å; I245-C289 VanDerWaalsContact CG1-CB 3.48Å; Q285-C289 PolarHBondContact O-N 3.2Å; Q285-C289 PolarHBondContact O-SG 3.02Å; A286-C289 PolarHBondContact O-N 2.6Å; Q287-C289 VanDerWaalsContact C-N 3.34Å; Q287-C289 PolarHBondContact O-N 3.28Å; C289-E292 PolarHBondContact O-N 2.92Å; C289-K293 WeakPolarHBondContact O-CB 3.5Å; C289-K293 PolarHBondContact O-N 3.01Å
290	L	97.9	Very high	96.7	Very high	18 Å²	18	32 Å²	32	9%	0.094	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-42.9	173	-78.5	165.8	0	0	0	111.6	I245 A286 Q287 E288 K293 I294 H477 A479	I245-L290 HydrophobicContact CD1-CD2 3.63Å; I245-L290 HydrophobicContact CD1-CG 3.84Å; I245-L290 HydrophobicContact CG1-CD2 4.39Å; I245-L290 HydrophobicContact CG1-CG 4.13Å; I245-L290 HydrophobicContact CG2-CD2 4.4Å; I245-L290 HydrophobicContact CG2-CG 4.32Å; A286-L290 WeakPolarHBondContact O-CG 3.46Å; A286-L290 PolarHBondContact O-N 2.99Å; Q287-L290 WeakPolarHBondContact O-CB 3.39Å; Q287-L290 PolarHBondContact O-N 3.08Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 2.88Å; L290-K293 WeakPolarHBondContact O-CB 3.2Å; L290-K293 PolarHBondContact O-N 2.9Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 2.81Å; L290-I294 VanDerWaalsContact O-N 3.1Å; L290-H477 HydrophobicContact CD1-CB 4.44Å; L290-H477 WeakPolarHBondContact CD1-O 3.25Å; L290-H477 HydrophobicContact CD2-CB 4.2Å; L290-A479 HydrophobicContact CD1-CB 3.96Å
291	F	97.6	Very high	96.4	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-48.2	173.6	169.4	-94.5	0	0	0	111.5	Q287 E288 K293 I294 A295 M309 E312 A313 V316 Y351 M354 F358	Q287-F291 PolarHBondContact O-N 3.32Å; E288-F291 WeakPolarHBondContact O-CB 3.47Å; E288-F291 PolarHBondContact O-N 2.93Å; F291-K293 VanDerWaalsContact C-N 3.25Å; F291-K293 PolarHBondContact O-N 2.92Å; F291-I294 PolarHBondContact O-N 3.32Å; F291-I294 VanDerWaalsContact O-N 3.09Å; F291-A295 PolarHBondContact O-N 2.88Å; F291-M309 HydrophobicContact CD2-CE 4.03Å; F291-M309 HydrophobicContact CE2-CE 3.31Å; F291-M309 HydrophobicContact CZ-CE 3.67Å; F291-E312 HydrophobicContact CD2-CB 3.85Å; F291-E312 HydrophobicContact CE2-CB 4.43Å; F291-A313 HydrophobicContact CD2-CB 4.41Å; F291-A313 HydrophobicContact CE2-CB 3.75Å; F291-A313 HydrophobicContact CZ-CB 4.2Å; F291-V316 HydrophobicContact CB-CG2 3.69Å; F291-V316 HydrophobicContact CG-CG2 4.19Å; F291-Y351 HydrophobicContact CD1-CD1 4.43Å; F291-Y351 AromaticContact CD1-CE1 3.79Å; F291-Y351 HydrophobicContact CD1-CE1 3.79Å; F291-Y351 HydrophobicContact CE1-CD1 4.27Å; F291-Y351 AromaticContact CE1-CE1 3.76Å; F291-Y351 HydrophobicContact CE1-CE1 3.76Å; F291-M354 HydrophobicContact CE1-CE 4Å; F291-M354 HydrophobicContact CZ-CE 3.76Å; F291-F358 HydrophobicContact CE2-CE2 4.39Å; F291-F358 HydrophobicContact CZ-CE2 4.09Å
292	E	96.2	Very high	96.1	Very high	27 Å²	27	39.8 Å²	39.8	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-40.3	175.7	-71.6	176.2	169.6	0	0	111.3	R235 L241 E288 C289 I294 A295 L296	R235-E292 WeakPolarHBondContact CD-OE2 3.32Å; R235-E292 IonicContact CZ-OE1 3.45Å; R235-E292 IonicContact CZ-OE2 3.51Å; R235-E292 IonicContact NE-OE1 3.99Å; R235-E292 PolarHBondContact NE-OE1 3.37Å; R235-E292 IonicContact NE-OE2 2.66Å; R235-E292 PolarHBondContact NE-OE2 3.49Å; R235-E292 IonicContact NH2-OE1 3.27Å; R235-E292 PolarHBondContact NH2-OE1 3.13Å; R235-E292 VanDerWaalsContact NH2-OE1 3.12Å; R235-E292 IonicContact NH2-OE2 2.79Å; L241-E292 HydrophobicContact CD1-CB 4.45Å; L241-E292 HydrophobicContact CD2-CB 3.8Å; L241-E292 WeakPolarHBondContact CD2-OE2 3.48Å; E288-E292 WeakPolarHBondContact O-CG 3.46Å; E288-E292 PolarHBondContact O-N 3.34Å; C289-E292 PolarHBondContact O-N 2.92Å; E292-I294 PolarHBondContact O-N 2.88Å; E292-A295 CarbonylContact O-C 3.51Å; E292-A295 PolarHBondContact O-N 3.32Å; E292-L296 WeakPolarHBondContact O-CB 3.26Å; E292-L296 PolarHBondContact O-N 2.67Å
293	K	96.3	Very high	95.8	Very high	77 Å²	77	40.4 Å²	40.4	34%	0.335	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-37.5	176.4	-176.4	-176.7	173.1	-172.9	0	113.3	L241 I245 C289 L290 F291	L241-K293 HydrophobicContact CB-CB 4.36Å; L241-K293 HydrophobicContact CD1-CB 3.94Å; I245-K293 HydrophobicContact CD1-CD 4.09Å; C289-K293 WeakPolarHBondContact O-CB 3.5Å; C289-K293 PolarHBondContact O-N 3.01Å; L290-K293 WeakPolarHBondContact O-CB 3.2Å; L290-K293 PolarHBondContact O-N 2.9Å; F291-K293 VanDerWaalsContact C-N 3.25Å; F291-K293 PolarHBondContact O-N 2.92Å
294	I	95.4	Very high	95.6	Very high	50 Å²	50	42.8 Å²	42.8	26%	0.256	24%	0.241	S	C	.	.	H	α-helix	trans	-69.1	-39.3	174.8	-63.1	165.7	0	0	0	110	L290 F291 E292 P297 M309 E312	L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 2.81Å; L290-I294 VanDerWaalsContact O-N 3.1Å; F291-I294 PolarHBondContact O-N 3.32Å; F291-I294 VanDerWaalsContact O-N 3.09Å; E292-I294 PolarHBondContact O-N 2.88Å; I294-P297 WeakPolarHBondContact O-CD 3.49Å; I294-M309 HydrophobicContact CG2-SD 3.61Å; I294-E312 HydrophobicContact CD1-CG 3.99Å
295	A	95.1	Very high	95.4	Very high	28 Å²	28	44.6 Å²	44.6	23%	0.231	25%	0.253	C	S	.	.	H	α-helix	trans	-75.6	-22	-179.1	0	0	0	0	0	114.2	F291 E292 G298 V299 M309	F291-A295 PolarHBondContact O-N 2.88Å; E292-A295 CarbonylContact O-C 3.51Å; E292-A295 PolarHBondContact O-N 3.32Å; A295-G298 WeakPolarHBondContact O-CA 3.44Å; A295-G298 PolarHBondContact O-N 3.09Å; A295-V299 HydrophobicContact CB-CG2 4.41Å; A295-M309 HydrophobicContact CB-CE 3.75Å
296	L	94.3	Very high	95.3	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.346	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-42.8	-170.1	-171.2	74.1	0	0	0	115	Q236 I238 L241 E292 G298	Q236-L296 WeakPolarHBondContact O-CD1 3.25Å; I238-L296 HydrophobicContact CB-CD2 4.45Å; I238-L296 HydrophobicContact CG1-CD2 3.51Å; L241-L296 HydrophobicContact CD1-CB 4.42Å; L241-L296 HydrophobicContact CD1-CD1 4.45Å; L241-L296 HydrophobicContact CD1-CD2 4.09Å; E292-L296 WeakPolarHBondContact O-CB 3.26Å; E292-L296 PolarHBondContact O-N 2.67Å; L296-G298 PolarHBondContact O-N 2.9Å; L296-G298 VanDerWaalsContact O-N 3.07Å
297	P	93.8	Very high	95.2	Very high	113 Å²	113	44.9 Å²	44.9	73%	0.734	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.4	177.4	-19	34	0	0	0	114.4	I294	I294-P297 WeakPolarHBondContact O-CD 3.49Å
298	G	92.8	Very high	95.1	Very high	46 Å²	46	48.4 Å²	48.4	47%	0.474	27%	0.27	S	S	.	.			trans	96.3	139.9	-168.9	0	0	0	0	0	111.6	A295 L296	A295-G298 WeakPolarHBondContact O-CA 3.44Å; A295-G298 PolarHBondContact O-N 3.09Å; L296-G298 PolarHBondContact O-N 2.9Å; L296-G298 VanDerWaalsContact O-N 3.07Å
299	V	93.8	Very high	95	Very high	57 Å²	57	48.9 Å²	48.9	35%	0.345	27%	0.272	S	S	.	.			trans	-84	116.6	176.4	-180	0	0	0	0	108.9	A295 L306 M309 F358	A295-V299 HydrophobicContact CB-CG2 4.41Å; V299-L306 HydrophobicContact CG1-CD2 3.89Å; V299-M309 HydrophobicContact CG1-CG 3.76Å; V299-M309 HydrophobicContact CG2-CE 3.86Å; V299-M309 HydrophobicContact CG2-CG 4.04Å; V299-M309 HydrophobicContact CG2-SD 4.32Å; V299-F358 HydrophobicContact CB-CE1 4.45Å; V299-F358 HydrophobicContact CG1-CD1 4.42Å; V299-F358 HydrophobicContact CG1-CE1 4.02Å; V299-F358 HydrophobicContact CG2-CE1 4.25Å; V299-F358 HydrophobicContact CG2-CZ 4.31Å
300	Q	92.5	Very high	95	Very high	114 Å²	114	48.9 Å²	48.9	53%	0.533	27%	0.272	S	S	.	.			trans	-72.8	136.9	176.3	-62.4	-177.8	7.2	0	0	110.4	Q302	Q300-Q302 HydrophobicContact CB-CG 4.33Å; Q300-Q302 PolarHBondContact O-N 3.32Å
301	N	91.4	Very high	95.1	Very high	103 Å²	103	48.6 Å²	48.6	55%	0.551	27%	0.271	S	S	*	.	S	Bend	trans	-77.5	59.7	176.5	-155.2	40.2	0	0	0	111.4	L306 D365	N301-L306 WeakPolarHBondContact OD1-CD1 3.5Å; N301-D365 PolarHBondContact ND2-OD2 3.48Å; N301-D365 PolarHBondContact OD1-OD2 3.37Å
302	Q	92.6	Very high	95.1	Very high	109 Å²	109	48.3 Å²	48.3	51%	0.509	27%	0.27	S	S	.	.			trans	-120.8	141.1	178.3	-68.4	175.9	-0.7	0	0	108.8	Q300 T304 S305 L306	Q300-Q302 HydrophobicContact CB-CG 4.33Å; Q300-Q302 PolarHBondContact O-N 3.32Å; Q302-T304 PolarHBondContact O-N 2.89Å; Q302-S305 PolarHBondContact O-N 3.49Å; Q302-S305 VanDerWaalsContact O-N 3.1Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.1Å
303	F	93.4	Very high	95.2	Very high	12 Å²	12	47 Å²	47	5%	0.053	26%	0.264	C	S	.	.	H	α-helix	trans	-48.1	-60.1	-174.2	-177.9	-97.7	0	0	0	112.5	S305 L306 I307 A362 L363 H366 Q377 T380 L381 L398	F303-S305 VanDerWaalsContact C-N 3.33Å; F303-S305 PolarHBondContact O-N 3.14Å; F303-L306 PolarHBondContact O-N 3.08Å; F303-I307 HydrophobicContact CD1-CG1 4.28Å; F303-I307 HydrophobicContact CE1-CG1 3.91Å; F303-I307 HydrophobicContact CE2-CD1 4.26Å; F303-I307 HydrophobicContact CE2-CG1 4.23Å; F303-I307 HydrophobicContact CZ-CD1 4.1Å; F303-I307 HydrophobicContact CZ-CG1 3.87Å; F303-I307 WeakPolarHBondContact O-CG1 3.14Å; F303-I307 PolarHBondContact O-N 3.15Å; F303-A362 HydrophobicContact CD2-CB 4.16Å; F303-A362 WeakPolarHBondContact CD2-O 2.85Å; F303-A362 HydrophobicContact CE2-CB 4.36Å; F303-L363 HydrophobicContact CE2-CD2 4.44Å; F303-H366 HydrophobicContact CD2-CB 3.87Å; F303-H366 AromaticContact CD2-CD2 3.65Å; F303-H366 AromaticContact CD2-CG 3.65Å; F303-Q377 HydrophobicContact CD1-CB 4.2Å; F303-Q377 HydrophobicContact CD1-CG 3.95Å; F303-Q377 HydrophobicContact CE1-CB 4.07Å; F303-Q377 HydrophobicContact CE1-CG 4.33Å; F303-T380 HydrophobicContact CE1-CG2 4.45Å; F303-L381 HydrophobicContact CZ-CB 4.2Å; F303-L381 HydrophobicContact CZ-CD1 4.36Å; F303-L398 HydrophobicContact CE1-CD2 4.19Å; F303-L398 HydrophobicContact CE2-CD2 3.78Å; F303-L398 HydrophobicContact CZ-CD2 3.55Å
304	T	93.4	Very high	95.3	Very high	68 Å²	68	43.9 Å²	43.9	42%	0.417	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-38	-178.2	-50.8	0	0	0	0	113	Q302 K308 T380	Q302-T304 PolarHBondContact O-N 2.89Å; T304-K308 WeakPolarHBondContact O-CB 3.44Å; T304-K308 PolarHBondContact O-N 3.47Å; T304-T380 HydrophobicContact CG2-CG2 4.47Å
305	S	94.5	Very high	95.4	Very high	39 Å²	39	43.2 Å²	43.2	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-43.1	178	-66.8	0	0	0	0	111.5	Q302 F303 K308 M309	Q302-S305 PolarHBondContact O-N 3.49Å; Q302-S305 VanDerWaalsContact O-N 3.1Å; F303-S305 VanDerWaalsContact C-N 3.33Å; F303-S305 PolarHBondContact O-N 3.14Å; S305-K308 PolarHBondContact O-N 2.93Å; S305-M309 WeakPolarHBondContact O-CG 3.49Å; S305-M309 PolarHBondContact O-N 3.32Å
306	L	96.9	Very high	95.6	Very high	7 Å²	7	42 Å²	42	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-69.1	-40.6	178	-67.1	166	0	0	0	112.1	V299 N301 Q302 F303 K308 M309 A310 F358 A362	V299-L306 HydrophobicContact CG1-CD2 3.89Å; N301-L306 WeakPolarHBondContact OD1-CD1 3.5Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.1Å; F303-L306 PolarHBondContact O-N 3.08Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.22Å; L306-M309 PolarHBondContact O-N 3.32Å; L306-A310 WeakPolarHBondContact O-CB 3.25Å; L306-A310 PolarHBondContact O-N 3.43Å; L306-F358 HydrophobicContact CD2-CD1 3.91Å; L306-A362 HydrophobicContact CB-CB 3.64Å; L306-A362 HydrophobicContact CD1-CB 4.07Å
307	I	96.5	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-44.6	173.6	-62.9	-58.7	0	0	0	110.7	F303 M309 A310 Q311 L359 A362 T380 V384	F303-I307 HydrophobicContact CD1-CG1 4.28Å; F303-I307 HydrophobicContact CE1-CG1 3.91Å; F303-I307 HydrophobicContact CE2-CD1 4.26Å; F303-I307 HydrophobicContact CE2-CG1 4.23Å; F303-I307 HydrophobicContact CZ-CD1 4.1Å; F303-I307 HydrophobicContact CZ-CG1 3.87Å; F303-I307 WeakPolarHBondContact O-CG1 3.14Å; F303-I307 PolarHBondContact O-N 3.15Å; I307-M309 PolarHBondContact O-N 3.07Å; I307-A310 WeakPolarHBondContact O-CB 3.32Å; I307-A310 PolarHBondContact O-N 3.43Å; I307-Q311 WeakPolarHBondContact O-CG 3.49Å; I307-Q311 PolarHBondContact O-N 3.04Å; I307-L359 HydrophobicContact CD1-CD1 3.29Å; I307-A362 HydrophobicContact CD1-CB 3.75Å; I307-A362 HydrophobicContact CG1-CB 4.21Å; I307-T380 HydrophobicContact CB-CG2 3.92Å; I307-T380 HydrophobicContact CG1-CG2 4.21Å; I307-T380 HydrophobicContact CG2-CG2 3.62Å; I307-V384 HydrophobicContact CD1-CG2 4.27Å; I307-V384 HydrophobicContact CG2-CG2 3.37Å
308	K	96	Very high	96	Very high	75 Å²	75	36.4 Å²	36.4	33%	0.326	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-46.8	175.3	175.2	172	170.1	166.4	0	111.6	T304 S305 L306 A310 Q311 E312 D476	T304-K308 WeakPolarHBondContact O-CB 3.44Å; T304-K308 PolarHBondContact O-N 3.47Å; S305-K308 PolarHBondContact O-N 2.93Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.22Å; K308-A310 VanDerWaalsContact C-N 3.27Å; K308-A310 PolarHBondContact O-N 3.06Å; K308-Q311 PolarHBondContact O-N 3.34Å; K308-E312 HydrophobicContact CG-CG 4.32Å; K308-E312 WeakPolarHBondContact O-CG 3.28Å; K308-E312 PolarHBondContact O-N 3.36Å; K308-D476 WeakPolarHBondContact CE-OD2 3.48Å; K308-D476 IonicContact NZ-OD2 3.56Å; K308-D476 PolarHBondContact NZ-OD2 3.07Å
309	M	97.6	Very high	96.3	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.044	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-36	176.8	-70.7	-51.6	-66.2	0	0	112.5	F291 I294 A295 V299 S305 L306 I307 A313 F358	F291-M309 HydrophobicContact CD2-CE 4.03Å; F291-M309 HydrophobicContact CE2-CE 3.31Å; F291-M309 HydrophobicContact CZ-CE 3.67Å; I294-M309 HydrophobicContact CG2-SD 3.61Å; A295-M309 HydrophobicContact CB-CE 3.75Å; V299-M309 HydrophobicContact CG1-CG 3.76Å; V299-M309 HydrophobicContact CG2-CE 3.86Å; V299-M309 HydrophobicContact CG2-CG 4.04Å; V299-M309 HydrophobicContact CG2-SD 4.32Å; S305-M309 WeakPolarHBondContact O-CG 3.49Å; S305-M309 PolarHBondContact O-N 3.32Å; L306-M309 PolarHBondContact O-N 3.32Å; I307-M309 PolarHBondContact O-N 3.07Å; M309-A313 VanDerWaalsContact O-CB 3.28Å; M309-A313 WeakPolarHBondContact O-CB 3.36Å; M309-A313 PolarHBondContact O-N 3.31Å; M309-F358 HydrophobicContact CB-CB 4.39Å; M309-F358 HydrophobicContact CB-CD1 4.17Å; M309-F358 HydrophobicContact CB-CD2 3.7Å; M309-F358 HydrophobicContact CB-CE1 4.36Å; M309-F358 HydrophobicContact CB-CE2 3.9Å; M309-F358 HydrophobicContact CB-CG 3.84Å; M309-F358 HydrophobicContact CB-CZ 4.23Å; M309-F358 HydrophobicContact CE-CE2 4.35Å; M309-F358 HydrophobicContact CE-CZ 4.34Å
310	A	98.2	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-47.7	175	0	0	0	0	0	111.5	L306 I307 K308 A313 A314 A355 F358 L359	L306-A310 WeakPolarHBondContact O-CB 3.25Å; L306-A310 PolarHBondContact O-N 3.43Å; I307-A310 WeakPolarHBondContact O-CB 3.32Å; I307-A310 PolarHBondContact O-N 3.43Å; K308-A310 VanDerWaalsContact C-N 3.27Å; K308-A310 PolarHBondContact O-N 3.06Å; A310-A313 PolarHBondContact O-N 3.31Å; A310-A314 WeakPolarHBondContact O-CB 3.41Å; A310-A314 PolarHBondContact O-N 3.23Å; A310-A355 VanDerWaalsContact CB-O 3.29Å; A310-A355 WeakPolarHBondContact CB-O 3.44Å; A310-A355 WeakPolarHBondContact O-CB 3.38Å; A310-F358 HydrophobicContact CB-CB 3.92Å; A310-L359 HydrophobicContact CB-CB 4.07Å
311	Q	98	Very high	96.8	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-39.3	-180	-68	-174.1	-52.8	0	0	113.1	I307 K308 A314 K315 Q383 K474	I307-Q311 WeakPolarHBondContact O-CG 3.49Å; I307-Q311 PolarHBondContact O-N 3.04Å; K308-Q311 PolarHBondContact O-N 3.34Å; Q311-A314 PolarHBondContact O-N 2.6Å; Q311-K315 PolarHBondContact O-N 2.99Å; Q311-Q383 PolarHBondContact NE2-O 2.8Å; Q311-Q383 VanDerWaalsContact NE2-O 3.08Å; Q311-K474 CarbonylContact C-O 3.5Å; Q311-K474 HydrophobicContact CB-CB 3.87Å; Q311-K474 HydrophobicContact CG-CB 4.25Å; Q311-K474 PolarHBondContact O-N 3.43Å; Q311-K474 VanDerWaalsContact O-O 3.09Å
312	E	98.1	Very high	97.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-43.4	176.3	-68.6	-75.2	-177.5	0	0	110.9	F291 I294 K308 K315 V316 K474 T475 D476	F291-E312 HydrophobicContact CD2-CB 3.85Å; F291-E312 HydrophobicContact CE2-CB 4.43Å; I294-E312 HydrophobicContact CD1-CG 3.99Å; K308-E312 HydrophobicContact CG-CG 4.32Å; K308-E312 WeakPolarHBondContact O-CG 3.28Å; K308-E312 PolarHBondContact O-N 3.36Å; E312-K315 WeakPolarHBondContact O-CB 3.34Å; E312-K315 PolarHBondContact O-N 2.83Å; E312-K315 VanDerWaalsContact O-N 3.14Å; E312-V316 PolarHBondContact O-N 3.01Å; E312-V316 VanDerWaalsContact O-N 3.1Å; E312-K474 PolarHBondContact N-O 3.43Å; E312-T475 VanDerWaalsContact CD-OG1 3.31Å; E312-T475 WeakPolarHBondContact OE1-CA 3.16Å; E312-T475 PolarHBondContact OE1-OG1 3.32Å; E312-T475 WeakPolarHBondContact OE2-CA 3.13Å; E312-T475 WeakPolarHBondContact OE2-CB 3.42Å; E312-T475 PolarHBondContact OE2-OG1 2.89Å; E312-D476 PolarHBondContact OE1-N 2.93Å
313	A	98.4	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-41.5	174.4	0	0	0	0	0	111.8	F291 M309 A310 K315 V316 S317 M354 A355	F291-A313 HydrophobicContact CD2-CB 4.41Å; F291-A313 HydrophobicContact CE2-CB 3.75Å; F291-A313 HydrophobicContact CZ-CB 4.2Å; M309-A313 VanDerWaalsContact O-CB 3.28Å; M309-A313 WeakPolarHBondContact O-CB 3.36Å; M309-A313 PolarHBondContact O-N 3.31Å; A310-A313 PolarHBondContact O-N 3.31Å; A313-K315 PolarHBondContact O-N 2.82Å; A313-V316 PolarHBondContact O-N 2.84Å; A313-S317 PolarHBondContact O-N 2.97Å; A313-M354 HydrophobicContact CB-CB 4.27Å; A313-A355 HydrophobicContact CB-CB 3.98Å
314	A	98.4	Very high	97.6	Very high	10 Å²	10	23.1 Å²	23.1	8%	0.083	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-36.2	173.3	0	0	0	0	0	111.2	A310 Q311 S317 E318 A355 I471	A310-A314 WeakPolarHBondContact O-CB 3.41Å; A310-A314 PolarHBondContact O-N 3.23Å; Q311-A314 PolarHBondContact O-N 2.6Å; A314-S317 PolarHBondContact O-N 3.33Å; A314-E318 WeakPolarHBondContact O-CB 3.47Å; A314-E318 PolarHBondContact O-N 2.85Å; A314-A355 HydrophobicContact CB-CB 3.98Å; A314-I471 HydrophobicContact CB-CB 4.33Å; A314-I471 HydrophobicContact CB-CG2 3.9Å
315	K	98.4	Very high	97.8	Very high	37 Å²	37	24 Å²	24	16%	0.161	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-41.2	176.2	-170.8	61.9	-175.5	171.6	0	113.2	Q287 Q311 E312 A313 E318 I319 T475	Q287-K315 HydrophobicContact CG-CG 4.43Å; Q311-K315 PolarHBondContact O-N 2.99Å; E312-K315 WeakPolarHBondContact O-CB 3.34Å; E312-K315 PolarHBondContact O-N 2.83Å; E312-K315 VanDerWaalsContact O-N 3.14Å; A313-K315 PolarHBondContact O-N 2.82Å; K315-E318 VanDerWaalsContact CD-OE2 3.32Å; K315-E318 WeakPolarHBondContact CD-OE2 2.91Å; K315-E318 VanDerWaalsContact NZ-CD 3.32Å; K315-E318 IonicContact NZ-OE1 3.78Å; K315-E318 PolarHBondContact NZ-OE1 2.89Å; K315-E318 IonicContact NZ-OE2 3.83Å; K315-E318 PolarHBondContact NZ-OE2 3.18Å; K315-E318 PolarHBondContact O-N 3.43Å; K315-I319 HydrophobicContact CD-CD1 4.34Å; K315-I319 HydrophobicContact CG-CD1 4.2Å; K315-I319 WeakPolarHBondContact O-CG1 3.2Å; K315-I319 PolarHBondContact O-N 3.1Å; K315-I319 VanDerWaalsContact O-N 3.15Å; K315-T475 HydrophobicContact CG-CG2 3.96Å
316	V	98.6	Very high	97.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-44.5	174.7	-179.7	0	0	0	0	110.5	Q287 E288 F291 E312 A313 I319 Y320 Y351	Q287-V316 HydrophobicContact CG-CG2 4.16Å; E288-V316 HydrophobicContact CB-CG1 4.21Å; F291-V316 HydrophobicContact CB-CG2 3.69Å; F291-V316 HydrophobicContact CG-CG2 4.19Å; E312-V316 PolarHBondContact O-N 3.01Å; E312-V316 VanDerWaalsContact O-N 3.1Å; A313-V316 PolarHBondContact O-N 2.84Å; V316-I319 PolarHBondContact O-N 3.45Å; V316-Y320 HydrophobicContact CG1-CD2 3.73Å; V316-Y320 HydrophobicContact CG1-CE2 3.83Å; V316-Y320 WeakPolarHBondContact O-CD2 3.21Å; V316-Y320 PolarHBondContact O-N 3.05Å; V316-Y351 HydrophobicContact CB-CD1 4.17Å; V316-Y351 HydrophobicContact CB-CD2 4.23Å; V316-Y351 HydrophobicContact CB-CG 3.96Å; V316-Y351 HydrophobicContact CG1-CD1 4Å; V316-Y351 HydrophobicContact CG1-CD2 3.38Å; V316-Y351 HydrophobicContact CG1-CE1 4.19Å; V316-Y351 HydrophobicContact CG1-CE2 3.61Å; V316-Y351 HydrophobicContact CG1-CG 3.61Å
317	S	98.6	Very high	97.9	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-47.8	176	176.4	0	0	0	0	112.8	A313 A314 I319 Y320 D321 T348 R352	A313-S317 PolarHBondContact O-N 2.97Å; A314-S317 PolarHBondContact O-N 3.33Å; S317-I319 PolarHBondContact O-N 2.79Å; S317-Y320 PolarHBondContact O-N 3.06Å; S317-D321 WeakPolarHBondContact O-CB 3.48Å; S317-D321 PolarHBondContact O-N 3.24Å; S317-T348 WeakPolarHBondContact CB-O 3.41Å; S317-T348 PolarHBondContact OG-O 3.18Å; S317-R352 WeakPolarHBondContact OG-CB 3.46Å
318	E	98.3	Very high	97.7	Very high	59 Å²	59	27 Å²	27	28%	0.276	13%	0.134	S	C	.	.	H	α-helix	trans	-58.3	-46.5	179.5	-174.9	-150.1	145	0	0	111.9	A314 K315 D321 Q322 S473	A314-E318 WeakPolarHBondContact O-CB 3.47Å; A314-E318 PolarHBondContact O-N 2.85Å; K315-E318 VanDerWaalsContact CD-OE2 3.32Å; K315-E318 WeakPolarHBondContact CD-OE2 2.91Å; K315-E318 VanDerWaalsContact NZ-CD 3.32Å; K315-E318 IonicContact NZ-OE1 3.78Å; K315-E318 PolarHBondContact NZ-OE1 2.89Å; K315-E318 IonicContact NZ-OE2 3.83Å; K315-E318 PolarHBondContact NZ-OE2 3.18Å; K315-E318 PolarHBondContact O-N 3.43Å; E318-D321 WeakPolarHBondContact O-CB 3.37Å; E318-D321 PolarHBondContact O-N 2.97Å; E318-Q322 WeakPolarHBondContact O-CG 3.42Å; E318-Q322 PolarHBondContact O-N 3.19Å; E318-Q322 PolarHBondContact OE1-NE2 3.3Å; E318-S473 VanDerWaalsContact OE2-CB 3.28Å; E318-S473 WeakPolarHBondContact OE2-CB 3.14Å; E318-S473 PolarHBondContact OE2-OG 3.49Å
319	I	98.3	Very high	97.5	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-39.4	-178.5	-67.3	171.1	0	0	0	110.8	A284 Q287 K315 V316 S317 D321 Q322 V323	A284-I319 HydrophobicContact CB-CG2 3.58Å; Q287-I319 HydrophobicContact CB-CD1 4.09Å; Q287-I319 HydrophobicContact CG-CD1 3.93Å; K315-I319 HydrophobicContact CD-CD1 4.34Å; K315-I319 HydrophobicContact CG-CD1 4.2Å; K315-I319 WeakPolarHBondContact O-CG1 3.2Å; K315-I319 PolarHBondContact O-N 3.1Å; K315-I319 VanDerWaalsContact O-N 3.15Å; V316-I319 PolarHBondContact O-N 3.45Å; S317-I319 PolarHBondContact O-N 2.79Å; I319-D321 VanDerWaalsContact C-N 3.34Å; I319-Q322 WeakPolarHBondContact O-CB 3.48Å; I319-Q322 PolarHBondContact O-N 2.77Å; I319-V323 WeakPolarHBondContact O-CG2 3.34Å; I319-V323 PolarHBondContact O-N 3.04Å
320	Y	98.7	Very high	96.9	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-34	174.4	-88.5	-64.6	0	0	0	113.2	L281 A284 Q285 E288 V316 S317 Q322 V323 H324 K347 T348	L281-Y320 HydrophobicContact CD1-CE1 4.37Å; A284-Y320 HydrophobicContact CB-CD1 3.96Å; A284-Y320 HydrophobicContact CB-CD2 4.37Å; A284-Y320 HydrophobicContact CB-CE1 3.64Å; A284-Y320 HydrophobicContact CB-CE2 4.09Å; A284-Y320 HydrophobicContact CB-CG 4.28Å; Q285-Y320 WeakPolarHBondContact CA-OH 3.31Å; Q285-Y320 WeakPolarHBondContact CG-OH 3.26Å; Q285-Y320 PolarHBondContact N-OH 3.15Å; E288-Y320 HydrophobicContact CB-CE2 4.2Å; E288-Y320 WeakPolarHBondContact OE2-CE2 3.47Å; E288-Y320 PolarHBondContact OE2-OH 3.01Å; V316-Y320 HydrophobicContact CG1-CD2 3.73Å; V316-Y320 HydrophobicContact CG1-CE2 3.83Å; V316-Y320 WeakPolarHBondContact O-CD2 3.21Å; V316-Y320 PolarHBondContact O-N 3.05Å; S317-Y320 PolarHBondContact O-N 3.06Å; Y320-Q322 VanDerWaalsContact C-N 3.34Å; Y320-V323 WeakPolarHBondContact O-CB 3.37Å; Y320-V323 PolarHBondContact O-N 3.38Å; Y320-H324 PolarHBondContact O-N 3.38Å; Y320-K347 HydrophobicContact CD1-CB 4.32Å; Y320-K347 HydrophobicContact CD1-CD 4.26Å; Y320-K347 HydrophobicContact CD2-CB 3.96Å; Y320-K347 HydrophobicContact CD2-CD 4.25Å; Y320-K347 HydrophobicContact CE1-CD 3.78Å; Y320-K347 HydrophobicContact CE2-CB 4.3Å; Y320-K347 HydrophobicContact CE2-CD 3.75Å; Y320-K347 HydrophobicContact CG-CB 4Å; Y320-K347 HydrophobicContact CG-CD 4.49Å; Y320-T348 VanDerWaalsContact C-OG1 3.23Å; Y320-T348 WeakPolarHBondContact CB-OG1 3.48Å
321	D	98.4	Very high	96.3	Very high	54 Å²	54	36.5 Å²	36.5	29%	0.289	19%	0.193	S	C	.	.	H	α-helix	trans	-60.9	-46.1	172.5	-168.2	64.6	0	0	0	110.5	S317 E318 I319 V323 H324 Q325 T348	S317-D321 WeakPolarHBondContact O-CB 3.48Å; S317-D321 PolarHBondContact O-N 3.24Å; E318-D321 WeakPolarHBondContact O-CB 3.37Å; E318-D321 PolarHBondContact O-N 2.97Å; I319-D321 VanDerWaalsContact C-N 3.34Å; D321-V323 VanDerWaalsContact C-N 3.3Å; D321-V323 PolarHBondContact O-N 2.91Å; D321-H324 WeakPolarHBondContact O-CB 3.41Å; D321-H324 PolarHBondContact O-N 2.95Å; D321-H324 VanDerWaalsContact O-N 3.1Å; D321-Q325 WeakPolarHBondContact O-CG 3.45Å; D321-Q325 PolarHBondContact O-N 3.49Å; D321-T348 WeakPolarHBondContact CA-OG1 3.38Å; D321-T348 HydrophobicContact CB-CG2 3.77Å; D321-T348 PolarHBondContact N-OG1 3.17Å; D321-T348 VanDerWaalsContact N-OG1 3.08Å
322	Q	98.2	Very high	96	Very high	74 Å²	74	36.3 Å²	36.3	35%	0.346	19%	0.192	S	C	.	.	H	α-helix	trans	-57.7	-41.7	174.6	-66.9	165.8	16.4	0	0	112.2	E318 I319 Y320 Q325 L326	E318-Q322 WeakPolarHBondContact O-CG 3.42Å; E318-Q322 PolarHBondContact O-N 3.19Å; E318-Q322 PolarHBondContact OE1-NE2 3.3Å; I319-Q322 WeakPolarHBondContact O-CB 3.48Å; I319-Q322 PolarHBondContact O-N 2.77Å; Y320-Q322 VanDerWaalsContact C-N 3.34Å; Q322-Q325 PolarHBondContact O-N 3Å; Q322-L326 WeakPolarHBondContact O-CG 3.34Å; Q322-L326 PolarHBondContact O-N 3.25Å; Q322-L326 VanDerWaalsContact O-N 3.13Å
323	V	98.3	Very high	95.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-48.3	174.3	175.3	0	0	0	0	110.9	Q280 L281 A284 I319 Y320 D321 Q325 L326 M327	Q280-V323 HydrophobicContact CB-CG2 4.11Å; Q280-V323 HydrophobicContact CG-CG2 3.61Å; L281-V323 HydrophobicContact CB-CG1 4.17Å; L281-V323 HydrophobicContact CD1-CG1 4.04Å; A284-V323 HydrophobicContact CB-CG2 3.89Å; I319-V323 WeakPolarHBondContact O-CG2 3.34Å; I319-V323 PolarHBondContact O-N 3.04Å; Y320-V323 WeakPolarHBondContact O-CB 3.37Å; Y320-V323 PolarHBondContact O-N 3.38Å; D321-V323 VanDerWaalsContact C-N 3.3Å; D321-V323 PolarHBondContact O-N 2.91Å; V323-Q325 PolarHBondContact O-N 3.24Å; V323-L326 WeakPolarHBondContact O-CB 3.3Å; V323-L326 PolarHBondContact O-N 2.84Å; V323-M327 HydrophobicContact CG1-CE 3.55Å; V323-M327 HydrophobicContact CG1-CG 4.48Å; V323-M327 HydrophobicContact CG1-SD 4.14Å; V323-M327 WeakPolarHBondContact O-CG 3.5Å; V323-M327 PolarHBondContact O-N 3.12Å
324	H	97.9	Very high	94.8	Very high	23 Å²	23	48 Å²	48	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-45.1	178.7	178.5	82.1	0	0	0	111.5	Y320 D321 L326 M327 V328 S341 Q345	Y320-H324 PolarHBondContact O-N 3.38Å; D321-H324 WeakPolarHBondContact O-CB 3.41Å; D321-H324 PolarHBondContact O-N 2.95Å; D321-H324 VanDerWaalsContact O-N 3.1Å; H324-L326 VanDerWaalsContact C-N 3.27Å; H324-L326 PolarHBondContact O-N 3.46Å; H324-M327 PolarHBondContact O-N 3.28Å; H324-V328 PolarHBondContact O-N 3.03Å; H324-S341 PolarHBondContact ND1-O 3.39Å; H324-Q345 PolarHBondContact CE1-OE1 2.98Å
325	Q	97.4	Very high	94.1	Very high	85 Å²	85	50 Å²	50	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-58.2	-38.1	176.7	-65.9	-50.7	-34.1	0	0	112.2	D321 Q322 V323 V328 Q329	D321-Q325 WeakPolarHBondContact O-CG 3.45Å; D321-Q325 PolarHBondContact O-N 3.49Å; Q322-Q325 PolarHBondContact O-N 3Å; V323-Q325 PolarHBondContact O-N 3.24Å; Q325-V328 WeakPolarHBondContact O-CG2 3.23Å; Q325-Q329 VanDerWaalsContact O-CG 3.25Å; Q325-Q329 WeakPolarHBondContact O-CG 3.44Å; Q325-Q329 PolarHBondContact O-NE2 3.49Å
326	L	96.8	Very high	93.6	Very high	52 Å²	52	48.8 Å²	48.8	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-40.1	173.7	-67	171	0	0	0	111.8	M277 Q280 Q322 V323 H324 V328 Q329 I332	M277-L326 HydrophobicContact CB-CB 4.11Å; M277-L326 HydrophobicContact CB-CD1 4.39Å; M277-L326 HydrophobicContact CG-CB 3.83Å; Q280-L326 HydrophobicContact CB-CD1 3.95Å; Q280-L326 HydrophobicContact CG-CD1 4.15Å; Q322-L326 WeakPolarHBondContact O-CG 3.34Å; Q322-L326 PolarHBondContact O-N 3.25Å; Q322-L326 VanDerWaalsContact O-N 3.13Å; V323-L326 WeakPolarHBondContact O-CB 3.3Å; V323-L326 PolarHBondContact O-N 2.84Å; H324-L326 VanDerWaalsContact C-N 3.27Å; H324-L326 PolarHBondContact O-N 3.46Å; L326-V328 PolarHBondContact O-N 2.87Å; L326-Q329 PolarHBondContact O-N 2.9Å; L326-I332 WeakPolarHBondContact O-CD1 3.28Å
327	M	96.1	Very high	93.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-31.9	-178.9	-70.6	-179.4	177.5	0	0	113.5	M277 L281 V323 H324 Q329 K333 V336 W340 S341	M277-M327 HydrophobicContact CE-CE 4.41Å; M277-M327 HydrophobicContact CG-CG 3.91Å; M277-M327 HydrophobicContact SD-CE 3.39Å; M277-M327 WeakPolarHBondContact SD-CE 3.47Å; M277-M327 HydrophobicContact SD-CG 3.81Å; M277-M327 HydrophobicContact SD-SD 4.46Å; L281-M327 HydrophobicContact CD1-CE 4.38Å; L281-M327 HydrophobicContact CD2-CE 4.15Å; V323-M327 HydrophobicContact CG1-CE 3.55Å; V323-M327 HydrophobicContact CG1-CG 4.48Å; V323-M327 HydrophobicContact CG1-SD 4.14Å; V323-M327 WeakPolarHBondContact O-CG 3.5Å; V323-M327 PolarHBondContact O-N 3.12Å; H324-M327 PolarHBondContact O-N 3.28Å; M327-Q329 VanDerWaalsContact C-N 3.34Å; M327-K333 WeakPolarHBondContact O-CA 3.43Å; M327-K333 PolarHBondContact O-N 3Å; M327-K333 VanDerWaalsContact O-N 3.15Å; M327-V336 HydrophobicContact CE-CG1 4.49Å; M327-V336 HydrophobicContact CG-CG1 4.2Å; M327-V336 HydrophobicContact SD-CG1 4.11Å; M327-W340 HydrophobicContact CE-CB 4.01Å; M327-W340 HydrophobicContact CE-CE3 4.09Å; M327-W340 HydrophobicContact SD-CB 4.08Å; M327-S341 VanDerWaalsContact SD-CA 3.6Å
328	V	94	Very high	92.6	Very high	56 Å²	56	53.4 Å²	53.4	34%	0.339	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.2	-179.1	-60	0	0	0	0	114	H324 Q325 L326 K333	H324-V328 PolarHBondContact O-N 3.03Å; Q325-V328 WeakPolarHBondContact O-CG2 3.23Å; L326-V328 PolarHBondContact O-N 2.87Å; V328-K333 WeakPolarHBondContact O-CD 3.47Å
329	Q	91.3	Very high	92.2	Very high	107 Å²	107	50.7 Å²	50.7	50%	0.5	26%	0.264	S	S	.	.	S	Bend	trans	-86.1	142.6	176.8	-73	173.5	29.3	0	0	112	Q325 L326 M327 I332 K333	Q325-Q329 VanDerWaalsContact O-CG 3.25Å; Q325-Q329 WeakPolarHBondContact O-CG 3.44Å; Q325-Q329 PolarHBondContact O-NE2 3.49Å; L326-Q329 PolarHBondContact O-N 2.9Å; M327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-I332 WeakPolarHBondContact O-CA 3.48Å; Q329-I332 WeakPolarHBondContact O-CB 3.09Å; Q329-I332 PolarHBondContact O-N 2.88Å; Q329-K333 PolarHBondContact O-N 3.31Å
330	T	85.1	Confident	92	Very high	109 Å²	109	50.5 Å²	50.5	67%	0.669	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	139.3	170	53.5	0	0	0	0	110.4
331	P	85.6	Confident	91.8	Very high	68 Å²	68	51.2 Å²	51.2	44%	0.442	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.7	7.8	8.3	37.4	-36.9	0	0	0	114.5	Y268 N335	Y268-P331 HydrophobicContact CE2-CB 4.33Å; Y268-P331 HydrophobicContact CE2-CG 4.35Å; Y268-P331 PolarHBondContact OH-O 3.46Å; P331-N335 PolarHBondContact O-ND2 3.43Å; P331-N335 VanDerWaalsContact O-ND2 3.12Å
332	I	90.6	Very high	91.6	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.046	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-46.8	-175.5	-59.6	-179.4	0	0	0	111.1	Y268 A273 M274 M277 L326 Q329 D334 N335 V336	Y268-I332 WeakPolarHBondContact OH-CA 3.34Å; A273-I332 HydrophobicContact CB-CD1 4.2Å; A273-I332 HydrophobicContact CB-CG1 4.45Å; M274-I332 HydrophobicContact CE-CG2 4.19Å; M277-I332 HydrophobicContact CB-CD1 3.92Å; M277-I332 HydrophobicContact CE-CG2 4.29Å; M277-I332 HydrophobicContact CG-CD1 4.44Å; M277-I332 HydrophobicContact CG-CG2 4.38Å; L326-I332 WeakPolarHBondContact O-CD1 3.28Å; Q329-I332 WeakPolarHBondContact O-CA 3.48Å; Q329-I332 WeakPolarHBondContact O-CB 3.09Å; Q329-I332 PolarHBondContact O-N 2.88Å; I332-D334 PolarHBondContact O-N 3.28Å; I332-N335 PolarHBondContact O-N 2.93Å; I332-V336 HydrophobicContact CG2-CB 4.32Å; I332-V336 HydrophobicContact CG2-CG2 3.32Å; I332-V336 PolarHBondContact O-N 3.48Å
333	K	88.3	Confident	91.4	Very high	133 Å²	133	45.9 Å²	45.9	58%	0.578	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-37.8	179.5	-176	-179.6	177.9	174.3	0	114.8	M327 V328 Q329 N335	M327-K333 WeakPolarHBondContact O-CA 3.43Å; M327-K333 PolarHBondContact O-N 3Å; M327-K333 VanDerWaalsContact O-N 3.15Å; V328-K333 WeakPolarHBondContact O-CD 3.47Å; Q329-K333 PolarHBondContact O-N 3.31Å; K333-N335 VanDerWaalsContact C-N 3.28Å; K333-N335 PolarHBondContact O-N 3.3Å
334	D	83.2	Confident	91.4	Very high	115 Å²	115	45.9 Å²	45.9	62%	0.615	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.4	-172.4	-59.2	-28.4	0	0	0	113.4	I332	I332-D334 PolarHBondContact O-N 3.28Å
335	N	83.3	Confident	91.3	Very high	50 Å²	50	47.6 Å²	47.6	27%	0.267	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	-15.7	-170.5	-57.6	-84.9	0	0	0	114.2	T202 Y268 P331 I332 K333	T202-N335 HydrophobicContact CG2-CB 4.2Å; T202-N335 WeakPolarHBondContact CG2-OD1 3.47Å; Y268-N335 HydrophobicContact CD1-CB 4.02Å; Y268-N335 HydrophobicContact CE1-CB 3.22Å; Y268-N335 WeakPolarHBondContact OH-CB 3.31Å; Y268-N335 PolarHBondContact OH-ND2 3.18Å; P331-N335 PolarHBondContact O-ND2 3.43Å; P331-N335 VanDerWaalsContact O-ND2 3.12Å; I332-N335 PolarHBondContact O-N 2.93Å; K333-N335 VanDerWaalsContact C-N 3.28Å; K333-N335 PolarHBondContact O-N 3.3Å
336	V	88.1	Confident	91.3	Very high	12 Å²	12	43.6 Å²	43.6	7%	0.073	23%	0.232	C	C	.	.	S	Bend	trans	-77.4	135.8	170.5	172.5	0	0	0	0	109	M274 M277 M327 I332 L338 W340	M274-V336 HydrophobicContact CE-CG2 3.64Å; M274-V336 HydrophobicContact SD-CG2 4.28Å; M277-V336 HydrophobicContact CE-CG2 3.74Å; M327-V336 HydrophobicContact CE-CG1 4.49Å; M327-V336 HydrophobicContact CG-CG1 4.2Å; M327-V336 HydrophobicContact SD-CG1 4.11Å; I332-V336 HydrophobicContact CG2-CB 4.32Å; I332-V336 HydrophobicContact CG2-CG2 3.32Å; I332-V336 PolarHBondContact O-N 3.48Å; V336-L338 PolarHBondContact O-N 2.71Å; V336-W340 HydrophobicContact CG1-CB 3.79Å; V336-W340 HydrophobicContact CG1-CE3 4.48Å; V336-W340 HydrophobicContact CG1-CG 4.36Å
337	P	88.6	Confident	91.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.013	22%	0.22	C	C	.	.			trans	-57.9	136.4	176.5	-22.6	32.8	0	0	0	111.2	E91 N94 F339 W340	E91-P337 HydrophobicContact CG-CB 3.83Å; E91-P337 HydrophobicContact CG-CG 4.45Å; N94-P337 HydrophobicContact CB-CG 3.74Å; P337-F339 PolarHBondContact O-N 3.44Å; P337-F339 VanDerWaalsContact O-N 3.11Å; P337-W340 HydrophobicContact CB-CG 4.37Å; P337-W340 HydrophobicContact CG-CG 4.36Å; P337-W340 WeakPolarHBondContact O-CB 3.34Å; P337-W340 PolarHBondContact O-N 3.4Å
338	L	87.4	Confident	91.5	Very high	101 Å²	101	41.3 Å²	41.3	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-54.6	-35.5	178.2	178.8	62.4	0	0	0	111.6	E91 V336 W340 S341 T342	E91-L338 PolarHBondContact OE1-N 3.38Å; V336-L338 PolarHBondContact O-N 2.71Å; L338-W340 VanDerWaalsContact C-N 3.25Å; L338-W340 PolarHBondContact O-N 3.38Å; L338-S341 PolarHBondContact O-N 2.92Å; L338-S341 PolarHBondContact O-OG 3.44Å; L338-T342 PolarHBondContact O-N 3.02Å; L338-T342 PolarHBondContact O-OG1 2.84Å; L338-T342 VanDerWaalsContact O-OG1 3.07Å
339	F	90.3	Very high	91.7	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-50.6	-42.9	173.7	174.1	-85.7	0	0	0	113.1	S95 V97 P337 M343 H431 L432 L435	S95-F339 WeakPolarHBondContact OG-CB 3.39Å; V97-F339 HydrophobicContact CB-CZ 4.33Å; V97-F339 HydrophobicContact CG1-CD1 4.5Å; V97-F339 HydrophobicContact CG1-CE1 3.45Å; V97-F339 VanDerWaalsContact CG1-CE1 3.45Å; V97-F339 HydrophobicContact CG1-CZ 3.66Å; V97-F339 HydrophobicContact CG2-CE1 4.36Å; V97-F339 HydrophobicContact CG2-CZ 3.68Å; P337-F339 PolarHBondContact O-N 3.44Å; P337-F339 VanDerWaalsContact O-N 3.11Å; F339-M343 HydrophobicContact CE1-CB 4.41Å; F339-M343 HydrophobicContact CE1-CE 4.14Å; F339-M343 HydrophobicContact CE2-CE 4.15Å; F339-M343 HydrophobicContact CZ-CE 3.55Å; F339-M343 WeakPolarHBondContact O-CB 3.41Å; F339-M343 PolarHBondContact O-N 3.24Å; F339-H431 HydrophobicContact CB-CB 4.37Å; F339-H431 HydrophobicContact CD2-CB 3.69Å; F339-H431 HydrophobicContact CE2-CB 4.5Å; F339-H431 HydrophobicContact CG-CB 4.46Å; F339-L432 HydrophobicContact CD2-CD2 3.69Å; F339-L432 HydrophobicContact CD2-CG 4.08Å; F339-L432 HydrophobicContact CE2-CD2 3.36Å; F339-L432 HydrophobicContact CE2-CG 4.17Å; F339-L432 HydrophobicContact CZ-CD2 3.98Å; F339-L435 HydrophobicContact CE2-CD1 3.76Å; F339-L435 HydrophobicContact CZ-CD1 3.84Å
340	W	94	Very high	92	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-70	-42	-174.6	-71.8	39.5	0	0	0	111.2	N94 I112 L114 F201 L278 L281 M327 V336 P337 L338 S344	N94-W340 PolarHBondContact O-NE1 3.36Å; N94-W340 VanDerWaalsContact O-NE1 3.15Å; I112-W340 HydrophobicContact CD1-CB 4.13Å; I112-W340 HydrophobicContact CD1-CD2 4.23Å; I112-W340 HydrophobicContact CD1-CG 4.01Å; I112-W340 HydrophobicContact CG2-CD2 3.59Å; I112-W340 HydrophobicContact CG2-CE3 3.86Å; I112-W340 HydrophobicContact CG2-CG 4.29Å; I112-W340 HydrophobicContact CG2-CH2 3.69Å; I112-W340 HydrophobicContact CG2-CZ2 3.39Å; I112-W340 HydrophobicContact CG2-CZ3 3.92Å; L114-W340 HydrophobicContact CD2-CH2 3.59Å; L114-W340 HydrophobicContact CD2-CZ3 3.96Å; F201-W340 HydrophobicContact CE1-CE3 4.36Å; F201-W340 AromaticContact CE1-CH2 3.67Å; F201-W340 HydrophobicContact CE1-CH2 3.67Å; F201-W340 HydrophobicContact CE1-CZ2 4.2Å; F201-W340 AromaticContact CE1-CZ3 3.76Å; F201-W340 HydrophobicContact CE1-CZ3 3.76Å; F201-W340 AromaticContact CZ-CH2 3.79Å; F201-W340 HydrophobicContact CZ-CH2 3.79Å; F201-W340 AromaticContact CZ-CZ3 3.91Å; F201-W340 HydrophobicContact CZ-CZ3 3.91Å; L278-W340 HydrophobicContact CD2-CZ3 3.86Å; L281-W340 HydrophobicContact CD2-CE3 3.76Å; L281-W340 HydrophobicContact CD2-CZ3 3.69Å; M327-W340 HydrophobicContact CE-CB 4.01Å; M327-W340 HydrophobicContact CE-CE3 4.09Å; M327-W340 HydrophobicContact SD-CB 4.08Å; V336-W340 HydrophobicContact CG1-CB 3.79Å; V336-W340 HydrophobicContact CG1-CE3 4.48Å; V336-W340 HydrophobicContact CG1-CG 4.36Å; P337-W340 HydrophobicContact CB-CG 4.37Å; P337-W340 HydrophobicContact CG-CG 4.36Å; P337-W340 WeakPolarHBondContact O-CB 3.34Å; P337-W340 PolarHBondContact O-N 3.4Å; L338-W340 VanDerWaalsContact C-N 3.25Å; L338-W340 PolarHBondContact O-N 3.38Å; W340-S344 WeakPolarHBondContact O-CB 3.45Å; W340-S344 PolarHBondContact O-N 2.96Å; W340-S344 PolarHBondContact O-OG 3.34Å
341	S	94.4	Very high	92.7	Very high	17 Å²	17	29.8 Å²	29.8	12%	0.119	16%	0.155	C	C	.	.	H	α-helix	trans	-70.8	-40.5	178.9	62.2	0	0	0	0	111.5	H324 M327 L338 S344 Q345	H324-S341 PolarHBondContact ND1-O 3.39Å; M327-S341 VanDerWaalsContact SD-CA 3.6Å; L338-S341 PolarHBondContact O-N 2.92Å; L338-S341 PolarHBondContact O-OG 3.44Å; S341-S344 PolarHBondContact O-N 3.42Å; S341-Q345 PolarHBondContact O-N 2.9Å; S341-Q345 VanDerWaalsContact O-N 3.07Å
342	T	94.1	Very high	93.3	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.092	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-42.8	174.2	-50.3	0	0	0	0	111.7	L338 S344 Q345 V346 N425 C429 L432	L338-T342 PolarHBondContact O-N 3.02Å; L338-T342 PolarHBondContact O-OG1 2.84Å; L338-T342 VanDerWaalsContact O-OG1 3.07Å; T342-S344 VanDerWaalsContact C-N 3.31Å; T342-S344 PolarHBondContact O-N 3.2Å; T342-Q345 WeakPolarHBondContact O-CB 3.43Å; T342-Q345 PolarHBondContact O-N 3.11Å; T342-Q345 VanDerWaalsContact O-N 3.13Å; T342-V346 HydrophobicContact CG2-CG2 4.38Å; T342-V346 WeakPolarHBondContact O-CG2 3.4Å; T342-V346 PolarHBondContact O-N 2.83Å; T342-N425 HydrophobicContact CG2-CB 4.4Å; T342-N425 VanDerWaalsContact CG2-O 3.29Å; T342-N425 WeakPolarHBondContact CG2-O 3.39Å; T342-C429 HydrophobicContact CG2-CB 3.93Å; T342-L432 HydrophobicContact CG2-CD1 3.54Å
343	M	95.1	Very high	93.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-45.2	175.2	-179.9	63.9	81.5	0	0	111.1	I112 F339 Q345 V346 K347 L432 L435 L438	I112-M343 HydrophobicContact CD1-CB 4.39Å; I112-M343 HydrophobicContact CD1-CG 4.28Å; F339-M343 HydrophobicContact CE1-CB 4.41Å; F339-M343 HydrophobicContact CE1-CE 4.14Å; F339-M343 HydrophobicContact CE2-CE 4.15Å; F339-M343 HydrophobicContact CZ-CE 3.55Å; F339-M343 WeakPolarHBondContact O-CB 3.41Å; F339-M343 PolarHBondContact O-N 3.24Å; M343-Q345 VanDerWaalsContact C-N 3.3Å; M343-Q345 PolarHBondContact O-N 2.89Å; M343-V346 PolarHBondContact O-N 3.32Å; M343-K347 WeakPolarHBondContact O-CG 3.32Å; M343-K347 PolarHBondContact O-N 3.3Å; M343-K347 HydrophobicContact SD-CG 4.46Å; M343-L432 HydrophobicContact CB-CD2 4.32Å; M343-L432 HydrophobicContact CE-CD2 3.36Å; M343-L432 HydrophobicContact SD-CD2 4.14Å; M343-L435 HydrophobicContact CE-CD1 3.54Å; M343-L438 HydrophobicContact CE-CD2 3.8Å; M343-L438 HydrophobicContact SD-CD2 3.84Å
344	S	96.9	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.6	-57.3	0	0	0	0	111	W340 S341 T342 K347 T348	W340-S344 WeakPolarHBondContact O-CB 3.45Å; W340-S344 PolarHBondContact O-N 2.96Å; W340-S344 PolarHBondContact O-OG 3.34Å; S341-S344 PolarHBondContact O-N 3.42Å; T342-S344 VanDerWaalsContact C-N 3.31Å; T342-S344 PolarHBondContact O-N 3.2Å; S344-K347 PolarHBondContact O-N 3.47Å; S344-T348 PolarHBondContact O-N 3.27Å; S344-T348 PolarHBondContact O-OG1 3.12Å
345	Q	96.9	Very high	94.9	Very high	59 Å²	59	19.6 Å²	19.6	28%	0.276	10%	0.097	S	C	.	.	H	α-helix	trans	-66.8	-40.8	177.4	-166.8	173.1	7.4	0	0	113.2	H324 S341 T342 M343 T348 N349	H324-Q345 PolarHBondContact CE1-OE1 2.98Å; S341-Q345 PolarHBondContact O-N 2.9Å; S341-Q345 VanDerWaalsContact O-N 3.07Å; T342-Q345 WeakPolarHBondContact O-CB 3.43Å; T342-Q345 PolarHBondContact O-N 3.11Å; T342-Q345 VanDerWaalsContact O-N 3.13Å; M343-Q345 VanDerWaalsContact C-N 3.3Å; M343-Q345 PolarHBondContact O-N 2.89Å; Q345-T348 WeakPolarHBondContact O-CB 3.32Å; Q345-T348 PolarHBondContact O-N 3.14Å; Q345-N349 PolarHBondContact O-N 3.4Å; Q345-N349 PolarHBondContact O-ND2 3.29Å
346	V	97.4	Very high	95.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-59.4	-48.4	173.7	169.3	0	0	0	0	110	T342 M343 N349 H350 A422 N425 L432 L442	T342-V346 HydrophobicContact CG2-CG2 4.38Å; T342-V346 WeakPolarHBondContact O-CG2 3.4Å; T342-V346 PolarHBondContact O-N 2.83Å; M343-V346 PolarHBondContact O-N 3.32Å; V346-N349 PolarHBondContact O-N 2.89Å; V346-H350 VanDerWaalsContact O-CB 3.32Å; V346-H350 WeakPolarHBondContact O-CB 3.38Å; V346-H350 PolarHBondContact O-N 3.46Å; V346-A422 HydrophobicContact CG1-CB 4.43Å; V346-N425 HydrophobicContact CG2-CB 3.68Å; V346-L432 HydrophobicContact CG2-CD1 4.13Å; V346-L442 HydrophobicContact CG1-CD1 3.85Å; V346-L442 HydrophobicContact CG1-CD2 4.3Å
347	K	98	Very high	96.1	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.013	9%	0.086	C	C	.	.	H	α-helix	trans	-61.1	-44.7	176.2	-70.6	-172.5	-174.6	-132.4	0	111.8	I109 P110 E288 Y320 M343 S344 N349 H350 Y351	I109-K347 HydrophobicContact CG2-CD 4.26Å; I109-K347 VanDerWaalsContact CG2-CE 3.41Å; I109-K347 HydrophobicContact CG2-CG 4.18Å; P110-K347 WeakPolarHBondContact O-CE 2.92Å; P110-K347 PolarHBondContact O-NZ 2.67Å; E288-K347 IonicContact OE1-NZ 2.8Å; E288-K347 PolarHBondContact OE1-NZ 2.82Å; E288-K347 IonicContact OE2-NZ 2.66Å; E288-K347 PolarHBondContact OE2-NZ 3.45Å; Y320-K347 HydrophobicContact CD1-CB 4.32Å; Y320-K347 HydrophobicContact CD1-CD 4.26Å; Y320-K347 HydrophobicContact CD2-CB 3.96Å; Y320-K347 HydrophobicContact CD2-CD 4.25Å; Y320-K347 HydrophobicContact CE1-CD 3.78Å; Y320-K347 HydrophobicContact CE2-CB 4.3Å; Y320-K347 HydrophobicContact CE2-CD 3.75Å; Y320-K347 HydrophobicContact CG-CB 4Å; Y320-K347 HydrophobicContact CG-CD 4.49Å; M343-K347 WeakPolarHBondContact O-CG 3.32Å; M343-K347 PolarHBondContact O-N 3.3Å; M343-K347 HydrophobicContact SD-CG 4.46Å; S344-K347 PolarHBondContact O-N 3.47Å; K347-N349 VanDerWaalsContact C-N 3.32Å; K347-N349 PolarHBondContact O-N 3.1Å; K347-H350 PolarHBondContact O-N 3.33Å; K347-Y351 HydrophobicContact CB-CD2 4.18Å; K347-Y351 HydrophobicContact CB-CE2 4.25Å; K347-Y351 HydrophobicContact CG-CE2 4.45Å; K347-Y351 WeakPolarHBondContact O-CD2 3.46Å; K347-Y351 PolarHBondContact O-N 3.23Å
348	T	98.6	Very high	96.5	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-52.8	-50.5	175.6	-64.1	0	0	0	0	111.5	S317 Y320 D321 S344 Q345 R352	S317-T348 WeakPolarHBondContact CB-O 3.41Å; S317-T348 PolarHBondContact OG-O 3.18Å; Y320-T348 VanDerWaalsContact C-OG1 3.23Å; Y320-T348 WeakPolarHBondContact CB-OG1 3.48Å; D321-T348 WeakPolarHBondContact CA-OG1 3.38Å; D321-T348 HydrophobicContact CB-CG2 3.77Å; D321-T348 PolarHBondContact N-OG1 3.17Å; D321-T348 VanDerWaalsContact N-OG1 3.08Å; S344-T348 PolarHBondContact O-N 3.27Å; S344-T348 PolarHBondContact O-OG1 3.12Å; Q345-T348 WeakPolarHBondContact O-CB 3.32Å; Q345-T348 PolarHBondContact O-N 3.14Å; T348-R352 VanDerWaalsContact CG2-NH2 3.32Å; T348-R352 VanDerWaalsContact O-CB 3.26Å; T348-R352 WeakPolarHBondContact O-CB 3.11Å; T348-R352 PolarHBondContact O-N 2.93Å; T348-R352 VanDerWaalsContact O-N 3.11Å
349	N	98.4	Very high	97	Very high	20 Å²	20	13.6 Å²	13.6	11%	0.107	6%	0.064	C	C	.	.	H	α-helix	trans	-71.1	-40.2	-177.7	-72.3	-38.8	0	0	0	112.3	Q345 V346 K347 R352 A353 A422 N425	Q345-N349 PolarHBondContact O-N 3.4Å; Q345-N349 PolarHBondContact O-ND2 3.29Å; V346-N349 PolarHBondContact O-N 2.89Å; K347-N349 VanDerWaalsContact C-N 3.32Å; K347-N349 PolarHBondContact O-N 3.1Å; N349-R352 PolarHBondContact O-N 3.31Å; N349-R352 PolarHBondContact OD1-NH1 3.3Å; N349-A353 VanDerWaalsContact O-CB 3.28Å; N349-A353 WeakPolarHBondContact O-CB 3.4Å; N349-A353 PolarHBondContact O-N 3.43Å; N349-A422 HydrophobicContact CB-CB 4Å; N349-N425 PolarHBondContact ND2-ND2 3.03Å
350	H	98.4	Very high	97.3	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-50.7	177.7	175.5	49.8	0	0	0	112.3	I109 V346 K347 R352 A353 M354 H419 A422 L442 S445	I109-H350 WeakPolarHBondContact CD1-CD2 3.4Å; V346-H350 VanDerWaalsContact O-CB 3.32Å; V346-H350 WeakPolarHBondContact O-CB 3.38Å; V346-H350 PolarHBondContact O-N 3.46Å; K347-H350 PolarHBondContact O-N 3.33Å; H350-R352 VanDerWaalsContact C-N 3.31Å; H350-R352 PolarHBondContact O-N 3.29Å; H350-A353 WeakPolarHBondContact O-CB 3.24Å; H350-A353 PolarHBondContact O-N 2.86Å; H350-A353 VanDerWaalsContact O-N 3.16Å; H350-M354 VanDerWaalsContact CE1-SD 3.52Å; H350-M354 PolarHBondContact NE2-SD 3.35Å; H350-M354 VanDerWaalsContact NE2-SD 3.36Å; H350-M354 WeakPolarHBondContact O-CG 3.4Å; H350-M354 PolarHBondContact O-N 3.27Å; H350-H419 AromaticContact CE1-NE2 3.68Å; H350-H419 AromaticContact ND1-CD2 3.37Å; H350-H419 PolarHBondContact ND1-CD2 3.46Å; H350-H419 AromaticContact ND1-NE2 3.12Å; H350-H419 PolarHBondContact ND1-NE2 3.35Å; H350-H419 VanDerWaalsContact ND1-NE2 3.12Å; H350-A422 HydrophobicContact CB-CB 4.33Å; H350-L442 HydrophobicContact CB-CD2 3.8Å; H350-S445 PolarHBondContact CE1-OG 3.34Å; H350-S445 VanDerWaalsContact CE1-OG 3.3Å
351	Y	98.6	Very high	97.5	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.02	7%	0.065	C	C	.	.	H	α-helix	trans	-67.8	-31.6	179.7	-74.9	-67.8	0	0	0	112.5	I109 E288 F291 V316 K347 M354 A355	I109-Y351 HydrophobicContact CD1-CE2 4.44Å; E288-Y351 HydrophobicContact CG-CE2 4.22Å; E288-Y351 VanDerWaalsContact CG-OH 3.24Å; E288-Y351 WeakPolarHBondContact CG-OH 3.1Å; E288-Y351 PolarHBondContact OE1-OH 2.97Å; E288-Y351 VanDerWaalsContact OE1-OH 3.11Å; F291-Y351 HydrophobicContact CD1-CD1 4.43Å; F291-Y351 AromaticContact CD1-CE1 3.79Å; F291-Y351 HydrophobicContact CD1-CE1 3.79Å; F291-Y351 HydrophobicContact CE1-CD1 4.27Å; F291-Y351 AromaticContact CE1-CE1 3.76Å; F291-Y351 HydrophobicContact CE1-CE1 3.76Å; V316-Y351 HydrophobicContact CB-CD1 4.17Å; V316-Y351 HydrophobicContact CB-CD2 4.23Å; V316-Y351 HydrophobicContact CB-CG 3.96Å; V316-Y351 HydrophobicContact CG1-CD1 4Å; V316-Y351 HydrophobicContact CG1-CD2 3.38Å; V316-Y351 HydrophobicContact CG1-CE1 4.19Å; V316-Y351 HydrophobicContact CG1-CE2 3.61Å; V316-Y351 HydrophobicContact CG1-CG 3.61Å; K347-Y351 HydrophobicContact CB-CD2 4.18Å; K347-Y351 HydrophobicContact CB-CE2 4.25Å; K347-Y351 HydrophobicContact CG-CE2 4.45Å; K347-Y351 WeakPolarHBondContact O-CD2 3.46Å; K347-Y351 PolarHBondContact O-N 3.23Å; Y351-M354 HydrophobicContact CD1-SD 3.99Å; Y351-M354 HydrophobicContact CE1-SD 4.13Å; Y351-M354 PolarHBondContact O-N 3.36Å; Y351-A355 WeakPolarHBondContact O-CB 3.38Å; Y351-A355 PolarHBondContact O-N 3.45Å
352	R	98.6	Very high	97.6	Very high	81 Å²	81	12.9 Å²	12.9	31%	0.306	6%	0.06	S	C	.	.	H	α-helix	trans	-64.1	-43.9	171	-169.3	176.2	-65.6	134.4	-4.2	111.4	S317 T348 N349 H350 A355 H356	S317-R352 WeakPolarHBondContact OG-CB 3.46Å; T348-R352 VanDerWaalsContact CG2-NH2 3.32Å; T348-R352 VanDerWaalsContact O-CB 3.26Å; T348-R352 WeakPolarHBondContact O-CB 3.11Å; T348-R352 PolarHBondContact O-N 2.93Å; T348-R352 VanDerWaalsContact O-N 3.11Å; N349-R352 PolarHBondContact O-N 3.31Å; N349-R352 PolarHBondContact OD1-NH1 3.3Å; H350-R352 VanDerWaalsContact C-N 3.31Å; H350-R352 PolarHBondContact O-N 3.29Å; R352-A355 WeakPolarHBondContact O-CB 3.24Å; R352-A355 PolarHBondContact O-N 2.99Å; R352-H356 PolarHBondContact O-CD2 2.89Å; R352-H356 PolarHBondContact O-N 2.94Å; R352-H356 VanDerWaalsContact O-N 3.13Å
353	A	98.6	Very high	97.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-64.5	-41.3	176.6	0	0	0	0	0	112	N349 H350 A355 H356 H357 A415 H419	N349-A353 VanDerWaalsContact O-CB 3.28Å; N349-A353 WeakPolarHBondContact O-CB 3.4Å; N349-A353 PolarHBondContact O-N 3.43Å; H350-A353 WeakPolarHBondContact O-CB 3.24Å; H350-A353 PolarHBondContact O-N 2.86Å; H350-A353 VanDerWaalsContact O-N 3.16Å; A353-A355 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 3.44Å; A353-H356 PolarHBondContact O-N 3.12Å; A353-H357 WeakPolarHBondContact O-CB 3.45Å; A353-H357 PolarHBondContact O-N 2.9Å; A353-A415 VanDerWaalsContact CB-O 3.32Å; A353-A415 WeakPolarHBondContact CB-O 3.28Å; A353-A415 VanDerWaalsContact O-CB 3.25Å; A353-A415 WeakPolarHBondContact O-CB 3.33Å; A353-H419 HydrophobicContact CB-CB 4.43Å; A353-H419 VanDerWaalsContact CB-CD2 3.46Å; A353-H419 WeakPolarHBondContact CB-CD2 3.39Å; A353-H419 WeakPolarHBondContact CB-NE2 3.34Å
354	M	98.3	Very high	97.5	Very high	29 Å²	29	12.8 Å²	12.8	14%	0.143	6%	0.059	C	C	.	.	H	α-helix	trans	-60.2	-41.9	172.4	-72	-175.4	73.3	0	0	112.1	F291 A313 H350 Y351 H356 H357 F358	F291-M354 HydrophobicContact CE1-CE 4Å; F291-M354 HydrophobicContact CZ-CE 3.76Å; A313-M354 HydrophobicContact CB-CB 4.27Å; H350-M354 VanDerWaalsContact CE1-SD 3.52Å; H350-M354 PolarHBondContact NE2-SD 3.35Å; H350-M354 VanDerWaalsContact NE2-SD 3.36Å; H350-M354 WeakPolarHBondContact O-CG 3.4Å; H350-M354 PolarHBondContact O-N 3.27Å; Y351-M354 HydrophobicContact CD1-SD 3.99Å; Y351-M354 HydrophobicContact CE1-SD 4.13Å; Y351-M354 PolarHBondContact O-N 3.36Å; M354-H356 VanDerWaalsContact C-N 3.34Å; M354-H356 PolarHBondContact O-N 3.05Å; M354-H357 WeakPolarHBondContact O-CB 3.41Å; M354-H357 PolarHBondContact O-N 3.18Å; M354-H357 VanDerWaalsContact O-N 3.17Å; M354-F358 HydrophobicContact CB-CE2 4.31Å; M354-F358 HydrophobicContact CE-CE2 3.88Å; M354-F358 HydrophobicContact CE-CZ 4Å; M354-F358 WeakPolarHBondContact O-CD2 3.44Å; M354-F358 PolarHBondContact O-N 3.3Å
355	A	98.5	Very high	97.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-57.4	-49.3	177.1	0	0	0	0	0	111.3	A310 A313 A314 Y351 R352 A353 H357 F358 L359 I471	A310-A355 VanDerWaalsContact CB-O 3.29Å; A310-A355 WeakPolarHBondContact CB-O 3.44Å; A310-A355 WeakPolarHBondContact O-CB 3.38Å; A313-A355 HydrophobicContact CB-CB 3.98Å; A314-A355 HydrophobicContact CB-CB 3.98Å; Y351-A355 WeakPolarHBondContact O-CB 3.38Å; Y351-A355 PolarHBondContact O-N 3.45Å; R352-A355 WeakPolarHBondContact O-CB 3.24Å; R352-A355 PolarHBondContact O-N 2.99Å; A353-A355 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 3.44Å; A355-H357 VanDerWaalsContact C-N 3.35Å; A355-H357 PolarHBondContact O-N 3.12Å; A355-F358 PolarHBondContact O-N 2.94Å; A355-L359 WeakPolarHBondContact O-CB 3.19Å; A355-L359 PolarHBondContact O-N 3.22Å; A355-I471 VanDerWaalsContact C-CD1 3.46Å; A355-I471 HydrophobicContact CB-CD1 3.85Å; A355-I471 WeakPolarHBondContact O-CD1 3.46Å
356	H	98.3	Very high	97.1	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.019	6%	0.064	C	C	.	.	H	α-helix	trans	-65.9	-34.6	175.8	-70.5	-59.5	0	0	0	113.1	R352 A353 M354 A360 H411 R414 A415 I471	R352-H356 PolarHBondContact O-CD2 2.89Å; R352-H356 PolarHBondContact O-N 2.94Å; R352-H356 VanDerWaalsContact O-N 3.13Å; A353-H356 PolarHBondContact O-N 3.12Å; M354-H356 VanDerWaalsContact C-N 3.34Å; M354-H356 PolarHBondContact O-N 3.05Å; H356-A360 WeakPolarHBondContact O-CB 3.36Å; H356-A360 PolarHBondContact O-N 2.95Å; H356-H411 HydrophobicContact CB-CB 4.46Å; H356-H411 WeakPolarHBondContact CB-O 3.26Å; H356-H411 AromaticContact CE1-ND1 3.72Å; H356-H411 AromaticContact CG-ND1 3.94Å; H356-H411 AromaticContact ND1-CE1 3.64Å; H356-H411 AromaticContact ND1-ND1 2.94Å; H356-H411 PolarHBondContact ND1-ND1 3.38Å; H356-R414 VanDerWaalsContact NE2-CD 3.32Å; H356-R414 WeakPolarHBondContact NE2-CD 3.35Å; H356-R414 PolarHBondContact NE2-NE 3.38Å; H356-R414 VanDerWaalsContact NE2-NE 3.17Å; H356-A415 HydrophobicContact CB-CB 3.98Å; H356-I471 HydrophobicContact CB-CD1 4.45Å; H356-I471 VanDerWaalsContact ND1-CD1 3.31Å; H356-I471 WeakPolarHBondContact ND1-CD1 3.46Å
357	H	98.4	Very high	96.6	Very high	18 Å²	18	20 Å²	20	8%	0.083	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-44.8	175.4	175.4	76	0	0	0	112.2	A353 M354 A355 A360 S361 I412 A415 R448 S449	A353-H357 WeakPolarHBondContact O-CB 3.45Å; A353-H357 PolarHBondContact O-N 2.9Å; M354-H357 WeakPolarHBondContact O-CB 3.41Å; M354-H357 PolarHBondContact O-N 3.18Å; M354-H357 VanDerWaalsContact O-N 3.17Å; A355-H357 VanDerWaalsContact C-N 3.35Å; A355-H357 PolarHBondContact O-N 3.12Å; H357-A360 PolarHBondContact O-N 3.41Å; H357-S361 WeakPolarHBondContact O-CB 3.2Å; H357-S361 PolarHBondContact O-N 2.99Å; H357-S361 PolarHBondContact O-OG 2.73Å; H357-I412 WeakPolarHBondContact ND1-CD1 3.43Å; H357-A415 HydrophobicContact CB-CB 4.02Å; H357-R448 WeakPolarHBondContact NE2-CD 3.39Å; H357-S449 PolarHBondContact ND1-OG 3.44Å
358	F	98.3	Very high	96	Very high	16 Å²	16	22.1 Å²	22.1	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-43.6	177	-71.1	-53.1	0	0	0	111.7	F291 V299 L306 M309 A310 M354 A355 S361 A362	F291-F358 HydrophobicContact CE2-CE2 4.39Å; F291-F358 HydrophobicContact CZ-CE2 4.09Å; V299-F358 HydrophobicContact CB-CE1 4.45Å; V299-F358 HydrophobicContact CG1-CD1 4.42Å; V299-F358 HydrophobicContact CG1-CE1 4.02Å; V299-F358 HydrophobicContact CG2-CE1 4.25Å; V299-F358 HydrophobicContact CG2-CZ 4.31Å; L306-F358 HydrophobicContact CD2-CD1 3.91Å; M309-F358 HydrophobicContact CB-CB 4.39Å; M309-F358 HydrophobicContact CB-CD1 4.17Å; M309-F358 HydrophobicContact CB-CD2 3.7Å; M309-F358 HydrophobicContact CB-CE1 4.36Å; M309-F358 HydrophobicContact CB-CE2 3.9Å; M309-F358 HydrophobicContact CB-CG 3.84Å; M309-F358 HydrophobicContact CB-CZ 4.23Å; M309-F358 HydrophobicContact CE-CE2 4.35Å; M309-F358 HydrophobicContact CE-CZ 4.34Å; A310-F358 HydrophobicContact CB-CB 3.92Å; M354-F358 HydrophobicContact CB-CE2 4.31Å; M354-F358 HydrophobicContact CE-CE2 3.88Å; M354-F358 HydrophobicContact CE-CZ 4Å; M354-F358 WeakPolarHBondContact O-CD2 3.44Å; M354-F358 PolarHBondContact O-N 3.3Å; A355-F358 PolarHBondContact O-N 2.94Å; F358-S361 PolarHBondContact O-N 3.18Å; F358-A362 WeakPolarHBondContact O-CB 3.49Å; F358-A362 PolarHBondContact O-N 3.46Å
359	L	97.3	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-42.3	176.7	180	56.1	0	0	0	112.1	I307 A310 A355 S361 A362 L363 V384 Y385 H411 I471	I307-L359 HydrophobicContact CD1-CD1 3.29Å; A310-L359 HydrophobicContact CB-CB 4.07Å; A355-L359 WeakPolarHBondContact O-CB 3.19Å; A355-L359 PolarHBondContact O-N 3.22Å; L359-S361 VanDerWaalsContact C-N 3.34Å; L359-S361 PolarHBondContact O-N 3.34Å; L359-A362 WeakPolarHBondContact O-CB 2.82Å; L359-A362 PolarHBondContact O-N 3.18Å; L359-L363 HydrophobicContact CD1-CD1 4.2Å; L359-L363 HydrophobicContact CD1-CG 4.29Å; L359-L363 HydrophobicContact CG-CD1 4.27Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.78Å; L359-V384 HydrophobicContact CD1-CG1 4.04Å; L359-V384 HydrophobicContact CD2-CG1 3.67Å; L359-Y385 HydrophobicContact CD2-CE1 3.88Å; L359-Y385 WeakPolarHBondContact CD2-OH 3.23Å; L359-H411 WeakPolarHBondContact CD2-NE2 3.47Å; L359-I471 HydrophobicContact CB-CD1 4.03Å; L359-I471 HydrophobicContact CD2-CD1 3.53Å; L359-I471 HydrophobicContact CD2-CG1 3.57Å; L359-I471 HydrophobicContact CG-CD1 4.49Å
360	A	96.9	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-47.2	173.9	0	0	0	0	0	111.1	H356 H357 A362 L363 L364 G408 H411 I412	H356-A360 WeakPolarHBondContact O-CB 3.36Å; H356-A360 PolarHBondContact O-N 2.95Å; H357-A360 PolarHBondContact O-N 3.41Å; A360-A362 VanDerWaalsContact C-N 3.3Å; A360-A362 PolarHBondContact O-N 3.5Å; A360-L363 PolarHBondContact O-N 3.43Å; A360-L363 VanDerWaalsContact O-N 3.16Å; A360-L364 HydrophobicContact CB-CD1 4.32Å; A360-L364 VanDerWaalsContact O-CB 3.25Å; A360-L364 WeakPolarHBondContact O-CB 3.44Å; A360-L364 WeakPolarHBondContact O-CG 3.28Å; A360-L364 PolarHBondContact O-N 2.69Å; A360-G408 WeakPolarHBondContact CB-O 3.38Å; A360-H411 HydrophobicContact CB-CB 3.81Å; A360-I412 HydrophobicContact CB-CB 3.8Å; A360-I412 HydrophobicContact CB-CD1 4.06Å
361	S	96.8	Very high	93.9	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-40.3	177.4	-54.4	0	0	0	0	111.3	H357 F358 L359 L363 D365	H357-S361 WeakPolarHBondContact O-CB 3.2Å; H357-S361 PolarHBondContact O-N 2.99Å; H357-S361 PolarHBondContact O-OG 2.73Å; F358-S361 PolarHBondContact O-N 3.18Å; L359-S361 VanDerWaalsContact C-N 3.34Å; L359-S361 PolarHBondContact O-N 3.34Å; S361-L363 VanDerWaalsContact C-N 3.3Å; S361-L363 PolarHBondContact O-N 3Å; S361-D365 VanDerWaalsContact O-CB 3.27Å; S361-D365 WeakPolarHBondContact O-CB 3.29Å; S361-D365 PolarHBondContact O-N 2.98Å
362	A	96.1	Very high	93.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-38.7	175.5	0	0	0	0	0	112.3	F303 L306 I307 F358 L359 A360 H366	F303-A362 HydrophobicContact CD2-CB 4.16Å; F303-A362 WeakPolarHBondContact CD2-O 2.85Å; F303-A362 HydrophobicContact CE2-CB 4.36Å; L306-A362 HydrophobicContact CB-CB 3.64Å; L306-A362 HydrophobicContact CD1-CB 4.07Å; I307-A362 HydrophobicContact CD1-CB 3.75Å; I307-A362 HydrophobicContact CG1-CB 4.21Å; F358-A362 WeakPolarHBondContact O-CB 3.49Å; F358-A362 PolarHBondContact O-N 3.46Å; L359-A362 WeakPolarHBondContact O-CB 2.82Å; L359-A362 PolarHBondContact O-N 3.18Å; A360-A362 VanDerWaalsContact C-N 3.3Å; A360-A362 PolarHBondContact O-N 3.5Å; A362-H366 WeakPolarHBondContact O-CB 3.27Å
363	L	94.4	Very high	93	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-80.6	-42.1	-179.2	-66.4	171.8	0	0	0	112.4	F303 L359 A360 S361 L381 I397 I407	F303-L363 HydrophobicContact CE2-CD2 4.44Å; L359-L363 HydrophobicContact CD1-CD1 4.2Å; L359-L363 HydrophobicContact CD1-CG 4.29Å; L359-L363 HydrophobicContact CG-CD1 4.27Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.78Å; A360-L363 PolarHBondContact O-N 3.43Å; A360-L363 VanDerWaalsContact O-N 3.16Å; S361-L363 VanDerWaalsContact C-N 3.3Å; S361-L363 PolarHBondContact O-N 3Å; L363-L381 HydrophobicContact CD2-CD1 4.19Å; L363-I397 HydrophobicContact CD2-CG2 4.14Å; L363-I407 HydrophobicContact CD1-CB 4.21Å; L363-I407 HydrophobicContact CD1-CG2 3.68Å
364	L	94.4	Very high	92.7	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-74.8	-37.9	-174.5	-68.5	171.6	0	0	0	113	A360 E405 K409 Y456	A360-L364 HydrophobicContact CB-CD1 4.32Å; A360-L364 VanDerWaalsContact O-CB 3.25Å; A360-L364 WeakPolarHBondContact O-CB 3.44Å; A360-L364 WeakPolarHBondContact O-CG 3.28Å; A360-L364 PolarHBondContact O-N 2.69Å; L364-E405 HydrophobicContact CD2-CB 4.39Å; L364-E405 HydrophobicContact CD2-CG 4.27Å; L364-K409 HydrophobicContact CD2-CG 4.44Å; L364-Y456 VanDerWaalsContact C-OH 3.28Å; L364-Y456 HydrophobicContact CB-CD1 4.41Å; L364-Y456 HydrophobicContact CB-CD2 4.38Å; L364-Y456 HydrophobicContact CB-CE1 3.89Å; L364-Y456 HydrophobicContact CB-CE2 3.91Å; L364-Y456 HydrophobicContact CD1-CD2 4.05Å; L364-Y456 HydrophobicContact CD1-CE2 4.3Å; L364-Y456 HydrophobicContact CD1-CG 4.33Å; L364-Y456 HydrophobicContact CD2-CD1 3.76Å; L364-Y456 HydrophobicContact CD2-CD2 4.43Å; L364-Y456 HydrophobicContact CD2-CE1 4.02Å; L364-Y456 HydrophobicContact CD2-CG 3.98Å; L364-Y456 HydrophobicContact CG-CE1 4.48Å; L364-Y456 PolarHBondContact O-OH 2.94Å
365	D	92.9	Very high	92.3	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	26%	0.262	S	S	.	.	S	Bend	trans	-87.9	-14.6	-178.3	-68.2	-22.3	0	0	0	113.3	N301 S361 K452 Y456	N301-D365 PolarHBondContact ND2-OD2 3.48Å; N301-D365 PolarHBondContact OD1-OD2 3.37Å; S361-D365 VanDerWaalsContact O-CB 3.27Å; S361-D365 WeakPolarHBondContact O-CB 3.29Å; S361-D365 PolarHBondContact O-N 2.98Å; D365-K452 IonicContact OD1-NZ 3.35Å; D365-K452 PolarHBondContact OD1-NZ 2.83Å; D365-K452 IonicContact OD2-NZ 3Å; D365-K452 PolarHBondContact OD2-NZ 2.87Å; D365-Y456 PolarHBondContact OD1-OH 2.73Å
366	H	91.5	Very high	92	Very high	20 Å²	20	51.7 Å²	51.7	9%	0.093	28%	0.28	C	S	.	.			trans	-86.3	131.5	-172.7	-177.3	57.5	0	0	0	112.3	F303 A362 D372 Q377 R404	F303-H366 HydrophobicContact CD2-CB 3.87Å; F303-H366 AromaticContact CD2-CD2 3.65Å; F303-H366 AromaticContact CD2-CG 3.65Å; A362-H366 WeakPolarHBondContact O-CB 3.27Å; H366-D372 IonicContact CE1-OD2 3.92Å; H366-Q377 PolarHBondContact CE1-OE1 2.9Å; H366-Q377 PolarHBondContact NE2-OE1 3.43Å; H366-R404 PolarHBondContact O-NE 2.75Å; H366-R404 PolarHBondContact O-NH2 3.46Å
367	E	87.3	Confident	91.7	Very high	135 Å²	135	52.1 Å²	52.1	63%	0.631	28%	0.282	S	S	*	.			trans	-125.4	126.2	166.8	-63.1	-173	160.1	0	0	107.9	G369	E367-G369 PolarHBondContact O-N 3.35Å
368	L	85.3	Confident	91.4	Very high	48 Å²	48	54 Å²	54	25%	0.251	29%	0.291	S	S	.	.			trans	-63.3	115.9	177.1	-87.4	172.1	0	0	0	110.2	D372 L398 K399	L368-D372 HydrophobicContact CD2-CB 4.28Å; L368-L398 HydrophobicContact CD1-CB 3.94Å; L368-L398 VanDerWaalsContact CD1-O 3.26Å; L368-L398 WeakPolarHBondContact CD1-O 3.49Å; L368-K399 HydrophobicContact CD1-CG 3.75Å
369	G	85.4	Confident	91.1	Very high	31 Å²	31	58.6 Å²	58.6	32%	0.32	31%	0.311	S	S	.	.			trans	-93.3	163.1	175.4	0	0	0	0	0	113.3	E367 N371 D372	E367-G369 PolarHBondContact O-N 3.35Å; G369-N371 PolarHBondContact O-N 2.89Å; G369-N371 VanDerWaalsContact O-N 3.17Å; G369-D372 PolarHBondContact N-OD2 3.05Å; G369-D372 WeakPolarHBondContact O-CB 3.4Å; G369-D372 PolarHBondContact O-N 3.21Å; G369-D372 VanDerWaalsContact O-N 3.17Å
370	P	81.4	Confident	90.9	Very high	133 Å²	133	59.2 Å²	59.2	86%	0.864	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.9	179.3	27.7	-35.3	0	0	0	114.5
371	N	85	Confident	90.6	Very high	161 Å²	161	59.2 Å²	59.2	86%	0.861	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-0.1	178.3	-63.9	-32.7	0	0	0	112.7	G369	G369-N371 PolarHBondContact O-N 2.89Å; G369-N371 VanDerWaalsContact O-N 3.17Å
372	D	87.6	Confident	90.3	Very high	64 Å²	64	61.4 Å²	61.4	34%	0.342	33%	0.33	S	S	.	.	S	Bend	trans	-76.8	141.6	179.6	-74	-25.4	0	0	0	110.8	H366 L368 G369 E374	H366-D372 IonicContact CE1-OD2 3.92Å; L368-D372 HydrophobicContact CD2-CB 4.28Å; G369-D372 PolarHBondContact N-OD2 3.05Å; G369-D372 WeakPolarHBondContact O-CB 3.4Å; G369-D372 PolarHBondContact O-N 3.21Å; G369-D372 VanDerWaalsContact O-N 3.17Å; D372-E374 PolarHBondContact O-N 3.39Å; D372-E374 VanDerWaalsContact O-N 3.1Å
373	D	90.9	Very high	90	Very high	100 Å²	100	64.9 Å²	64.9	54%	0.535	35%	0.346	S	S	.	.			trans	-79.7	88.8	170.9	-172.2	-24.9	0	0	0	108.9	D375 Q376 Q377	D373-D375 VanDerWaalsContact C-N 3.31Å; D373-D375 PolarHBondContact O-N 2.92Å; D373-D375 PolarHBondContact OD1-N 2.52Å; D373-Q376 HydrophobicContact CB-CB 3.91Å; D373-Q376 PolarHBondContact O-N 2.68Å; D373-Q376 WeakPolarHBondContact OD1-CB 3.3Å; D373-Q376 PolarHBondContact OD1-N 2.77Å; D373-Q377 WeakPolarHBondContact O-CG 3.31Å; D373-Q377 PolarHBondContact O-N 2.54Å
374	E	91.8	Very high	89.9	Confident	70 Å²	70	64.8 Å²	64.8	33%	0.327	35%	0.346	S	S	.	.	H	α-helix	trans	-54.5	-45.9	-178.3	-177.3	175.6	116.6	0	0	111.8	D372 Q376 Q377 E378 L395 K399	D372-E374 PolarHBondContact O-N 3.39Å; D372-E374 VanDerWaalsContact O-N 3.1Å; E374-Q376 VanDerWaalsContact C-N 3.33Å; E374-Q376 PolarHBondContact O-N 3.21Å; E374-Q377 PolarHBondContact O-N 2.91Å; E374-E378 WeakPolarHBondContact O-CB 3.37Å; E374-E378 PolarHBondContact O-N 2.91Å; E374-L395 HydrophobicContact CG-CD1 3.54Å; E374-L395 WeakPolarHBondContact OE1-CD1 3.33Å; E374-K399 VanDerWaalsContact OE1-CE 3.23Å; E374-K399 WeakPolarHBondContact OE1-CE 3.34Å; E374-K399 IonicContact OE1-NZ 3.14Å; E374-K399 PolarHBondContact OE1-NZ 2.89Å; E374-K399 WeakPolarHBondContact OE2-CE 3.4Å; E374-K399 IonicContact OE2-NZ 3.14Å; E374-K399 PolarHBondContact OE2-NZ 2.85Å; E374-K399 VanDerWaalsContact OE2-NZ 3.08Å
375	D	90.6	Very high	89.7	Confident	121 Å²	121	64.8 Å²	64.8	65%	0.647	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-43	-179.5	-69	-25	0	0	0	110.9	D373 K379	D373-D375 VanDerWaalsContact C-N 3.31Å; D373-D375 PolarHBondContact O-N 2.92Å; D373-D375 PolarHBondContact OD1-N 2.52Å; D375-K379 VanDerWaalsContact O-CB 3.26Å; D375-K379 WeakPolarHBondContact O-CB 3.36Å; D375-K379 PolarHBondContact O-N 3.48Å
376	Q	91.7	Very high	89.1	Confident	84 Å²	84	68.9 Å²	68.9	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-69.9	-38.1	178.6	-178.7	53.2	47.8	0	0	112.2	D373 E374 T380	D373-Q376 HydrophobicContact CB-CB 3.91Å; D373-Q376 PolarHBondContact O-N 2.68Å; D373-Q376 WeakPolarHBondContact OD1-CB 3.3Å; D373-Q376 PolarHBondContact OD1-N 2.77Å; E374-Q376 VanDerWaalsContact C-N 3.33Å; E374-Q376 PolarHBondContact O-N 3.21Å; Q376-T380 PolarHBondContact NE2-OG1 2.8Å; Q376-T380 VanDerWaalsContact NE2-OG1 3.15Å; Q376-T380 WeakPolarHBondContact O-CB 3.48Å; Q376-T380 PolarHBondContact O-N 2.81Å; Q376-T380 PolarHBondContact O-OG1 2.98Å
377	Q	92.7	Very high	88.6	Confident	13 Å²	13	75.8 Å²	75.8	6%	0.061	40%	0.399	C	S	.	.	H	α-helix	trans	-69.1	-40.7	176.4	-69.9	-173.8	6.9	0	0	111.8	F303 H366 D373 E374 K379 T380 L381 L398	F303-Q377 HydrophobicContact CD1-CB 4.2Å; F303-Q377 HydrophobicContact CD1-CG 3.95Å; F303-Q377 HydrophobicContact CE1-CB 4.07Å; F303-Q377 HydrophobicContact CE1-CG 4.33Å; H366-Q377 PolarHBondContact CE1-OE1 2.9Å; H366-Q377 PolarHBondContact NE2-OE1 3.43Å; D373-Q377 WeakPolarHBondContact O-CG 3.31Å; D373-Q377 PolarHBondContact O-N 2.54Å; E374-Q377 PolarHBondContact O-N 2.91Å; Q377-K379 PolarHBondContact O-N 3.27Å; Q377-T380 WeakPolarHBondContact O-CB 3.38Å; Q377-T380 PolarHBondContact O-N 3.47Å; Q377-T380 VanDerWaalsContact O-N 3.13Å; Q377-L381 PolarHBondContact O-N 3.02Å; Q377-L398 HydrophobicContact CB-CD1 3.96Å
378	E	91.8	Very high	88.2	Confident	57 Å²	57	71.6 Å²	71.6	27%	0.266	38%	0.38	S	S	.	.	H	α-helix	trans	-59.7	-47.2	173.8	-172.4	-174.3	179.1	0	0	110.9	E374 T380 L381 S382 P394 L395 L398	E374-E378 WeakPolarHBondContact O-CB 3.37Å; E374-E378 PolarHBondContact O-N 2.91Å; E378-T380 VanDerWaalsContact C-N 3.26Å; E378-T380 PolarHBondContact O-N 3.15Å; E378-L381 PolarHBondContact O-N 2.66Å; E378-S382 WeakPolarHBondContact O-CB 3.45Å; E378-S382 PolarHBondContact O-N 3.07Å; E378-S382 PolarHBondContact O-OG 3.08Å; E378-P394 HydrophobicContact CG-CB 3.92Å; E378-P394 HydrophobicContact CG-CG 4.48Å; E378-L395 HydrophobicContact CB-CD1 4.36Å; E378-L395 HydrophobicContact CG-CB 4.07Å; E378-L395 HydrophobicContact CG-CD1 4.41Å; E378-L398 VanDerWaalsContact CA-CD1 3.48Å; E378-L398 HydrophobicContact CB-CD1 4.11Å
379	K	91.4	Very high	87.6	Confident	113 Å²	113	71.1 Å²	71.1	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-36.9	174.7	-176.5	179.7	178.1	-176.1	0	112.2	D375 Q377 S382 Q383	D375-K379 VanDerWaalsContact O-CB 3.26Å; D375-K379 WeakPolarHBondContact O-CB 3.36Å; D375-K379 PolarHBondContact O-N 3.48Å; Q377-K379 PolarHBondContact O-N 3.27Å; K379-S382 WeakPolarHBondContact CA-OG 3.49Å; K379-S382 PolarHBondContact O-OG 3.45Å; K379-Q383 VanDerWaalsContact O-CG 3.31Å; K379-Q383 WeakPolarHBondContact O-CG 3.37Å; K379-Q383 PolarHBondContact O-N 3.13Å
380	T	92.2	Very high	86.9	Confident	13 Å²	13	79.2 Å²	79.2	8%	0.08	41%	0.41	C	S	.	.	H	α-helix	trans	-67.9	-47	178.8	-59.7	0	0	0	0	110.4	F303 T304 I307 Q376 Q377 E378 Q383 V384	F303-T380 HydrophobicContact CE1-CG2 4.45Å; T304-T380 HydrophobicContact CG2-CG2 4.47Å; I307-T380 HydrophobicContact CB-CG2 3.92Å; I307-T380 HydrophobicContact CG1-CG2 4.21Å; I307-T380 HydrophobicContact CG2-CG2 3.62Å; Q376-T380 PolarHBondContact NE2-OG1 2.8Å; Q376-T380 VanDerWaalsContact NE2-OG1 3.15Å; Q376-T380 WeakPolarHBondContact O-CB 3.48Å; Q376-T380 PolarHBondContact O-N 2.81Å; Q376-T380 PolarHBondContact O-OG1 2.98Å; Q377-T380 WeakPolarHBondContact O-CB 3.38Å; Q377-T380 PolarHBondContact O-N 3.47Å; Q377-T380 VanDerWaalsContact O-N 3.13Å; E378-T380 VanDerWaalsContact C-N 3.26Å; E378-T380 PolarHBondContact O-N 3.15Å; T380-Q383 PolarHBondContact O-N 2.77Å; T380-V384 WeakPolarHBondContact O-CG2 3.34Å
381	L	91.8	Very high	86.5	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-67.1	-39.7	179.5	-173.6	60.2	0	0	0	112.6	F303 L363 Q377 E378 Q383 V384 Y385 P394 I397 L398	F303-L381 HydrophobicContact CZ-CB 4.2Å; F303-L381 HydrophobicContact CZ-CD1 4.36Å; L363-L381 HydrophobicContact CD2-CD1 4.19Å; Q377-L381 PolarHBondContact O-N 3.02Å; E378-L381 PolarHBondContact O-N 2.66Å; L381-Q383 PolarHBondContact O-N 3.2Å; L381-V384 WeakPolarHBondContact O-CB 3.4Å; L381-V384 PolarHBondContact O-N 3.45Å; L381-Y385 HydrophobicContact CD1-CE2 3.87Å; L381-Y385 HydrophobicContact CG-CE2 4.44Å; L381-P394 HydrophobicContact CB-CB 4.38Å; L381-P394 HydrophobicContact CD2-CB 4.28Å; L381-P394 HydrophobicContact CG-CB 4.38Å; L381-I397 HydrophobicContact CD2-CB 4.09Å; L381-I397 HydrophobicContact CD2-CG2 3.97Å; L381-L398 HydrophobicContact CD2-CD1 4.42Å; L381-L398 HydrophobicContact CD2-CD2 3.96Å; L381-L398 HydrophobicContact CD2-CG 3.78Å
382	S	89.3	Confident	86.3	Confident	54 Å²	54	71 Å²	71	38%	0.378	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-23.5	177.4	56.1	0	0	0	0	113.5	E378 K379 V384	E378-S382 WeakPolarHBondContact O-CB 3.45Å; E378-S382 PolarHBondContact O-N 3.07Å; E378-S382 PolarHBondContact O-OG 3.08Å; K379-S382 WeakPolarHBondContact CA-OG 3.49Å; K379-S382 PolarHBondContact O-OG 3.45Å; S382-V384 VanDerWaalsContact C-N 3.32Å
383	Q	90.8	Very high	86.3	Confident	75 Å²	75	70.8 Å²	70.8	35%	0.35	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.7	175.7	-70.4	177.4	16.4	0	0	113.8	Q311 K379 T380 L381	Q311-Q383 PolarHBondContact NE2-O 2.8Å; Q311-Q383 VanDerWaalsContact NE2-O 3.08Å; K379-Q383 VanDerWaalsContact O-CG 3.31Å; K379-Q383 WeakPolarHBondContact O-CG 3.37Å; K379-Q383 PolarHBondContact O-N 3.13Å; T380-Q383 PolarHBondContact O-N 2.77Å; L381-Q383 PolarHBondContact O-N 3.2Å
384	V	92.8	Very high	86.1	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-26.2	-178.5	-178.1	0	0	0	0	111.8	I307 L359 T380 L381 S382 I471 I472	I307-V384 HydrophobicContact CD1-CG2 4.27Å; I307-V384 HydrophobicContact CG2-CG2 3.37Å; L359-V384 HydrophobicContact CD1-CG1 4.04Å; L359-V384 HydrophobicContact CD2-CG1 3.67Å; T380-V384 WeakPolarHBondContact O-CG2 3.34Å; L381-V384 WeakPolarHBondContact O-CB 3.4Å; L381-V384 PolarHBondContact O-N 3.45Å; S382-V384 VanDerWaalsContact C-N 3.32Å; V384-I471 HydrophobicContact CG1-CG1 4.49Å; V384-I471 HydrophobicContact CG1-CG2 4.09Å; V384-I472 PolarHBondContact O-N 2.8Å
385	Y	90	Very high	85.8	Confident	12 Å²	12	65.5 Å²	65.5	5%	0.047	36%	0.361	C	S	.	.			trans	-125.6	140.9	-172.6	-51.6	-66.5	0	0	0	111.5	L359 L381 L388 H411 P469	L359-Y385 HydrophobicContact CD2-CE1 3.88Å; L359-Y385 WeakPolarHBondContact CD2-OH 3.23Å; L381-Y385 HydrophobicContact CD1-CE2 3.87Å; L381-Y385 HydrophobicContact CG-CE2 4.44Å; Y385-L388 HydrophobicContact CD2-CD2 3.31Å; Y385-L388 HydrophobicContact CD2-CG 4.13Å; Y385-L388 HydrophobicContact CE2-CD2 3.68Å; Y385-L388 HydrophobicContact CG-CD2 4.1Å; Y385-H411 AromaticContact CE1-CE1 3.89Å; Y385-H411 AromaticContact CE1-NE2 3.56Å; Y385-H411 AromaticContact CZ-NE2 3.68Å; Y385-H411 PolarHBondContact OH-NE2 3.26Å; Y385-P469 HydrophobicContact CD1-CB 3.66Å; Y385-P469 HydrophobicContact CD1-CG 4.31Å; Y385-P469 HydrophobicContact CE1-CB 3.88Å; Y385-P469 HydrophobicContact CE1-CG 4.22Å
386	D	80.4	Confident	85.7	Confident	142 Å²	142	61.3 Å²	61.3	76%	0.759	35%	0.345	S	S	*	.	S	Bend	trans	-72.7	-37.7	171	-81.5	-34.9	0	0	0	110.5	I472	D386-I472 HydrophobicContact CB-CD1 4.34Å; D386-I472 WeakPolarHBondContact OD1-CD1 3.29Å
387	Q	79.6	Confident	85.6	Confident	166 Å²	166	57.3 Å²	57.3	78%	0.776	33%	0.327	S	S	*	.	S	Bend	trans	-142.2	128.4	175.7	-64.8	-178	3.4	0	0	109.3
388	L	78.9	Confident	85.4	Confident	46 Å²	46	56.7 Å²	56.7	24%	0.241	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.8	154.2	170.6	-81.6	169.2	0	0	0	110.6	Y385 P394 I397	Y385-L388 HydrophobicContact CD2-CD2 3.31Å; Y385-L388 HydrophobicContact CD2-CG 4.13Å; Y385-L388 HydrophobicContact CE2-CD2 3.68Å; Y385-L388 HydrophobicContact CG-CD2 4.1Å; L388-P394 HydrophobicContact CD1-CB 4.22Å; L388-P394 VanDerWaalsContact CD1-CD 3.42Å; L388-P394 HydrophobicContact CD1-CG 3.59Å; L388-I397 HydrophobicContact CD1-CD1 4.39Å; L388-I397 HydrophobicContact CD2-CD1 3.55Å
389	P	73.8	Confident	85.3	Confident	39 Å²	39	59.4 Å²	59.4	25%	0.253	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-51.5	144.3	170.8	-24.8	34.1	0	0	0	111.9	G391 C392 P469	P389-G391 PolarHBondContact O-N 3.4Å; P389-C392 WeakPolarHBondContact O-CB 3.12Å; P389-C392 PolarHBondContact O-N 3.16Å; P389-P469 HydrophobicContact CG-CG 3.91Å
390	E	71.2	Confident	85.3	Confident	200 Å²	200	57.6 Å²	57.6	94%	0.935	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	130.7	-176.9	-70.6	-173.6	173.6	0	0	111.6	C392	E390-C392 VanDerWaalsContact C-N 3.33Å
391	G	72.9	Confident	85.2	Confident	89 Å²	89	61.8 Å²	61.8	92%	0.918	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-2.8	-179.4	0	0	0	0	0	115.4	P389	P389-G391 PolarHBondContact O-N 3.4Å
392	C	80.1	Confident	85	Confident	32 Å²	32	66.8 Å²	66.8	22%	0.216	37%	0.374	C	S	.	.			trans	-95.9	134	175.7	-62.1	0	0	0	0	111.7	P389 E390 I397 E403	P389-C392 WeakPolarHBondContact O-CB 3.12Å; P389-C392 PolarHBondContact O-N 3.16Å; E390-C392 VanDerWaalsContact C-N 3.33Å; C392-I397 HydrophobicContact CB-CD1 4.06Å; C392-I397 HydrophobicContact CB-CG1 4.21Å; C392-E403 PolarHBondContact SG-OE1 3.39Å
393	S	87	Confident	85	Confident	61 Å²	61	65.5 Å²	65.5	43%	0.427	36%	0.362	S	S	.	.			trans	-106.8	150.8	163.1	68.3	0	0	0	0	109.7	L395 G396 I397	S393-L395 PolarHBondContact O-N 3.06Å; S393-G396 WeakPolarHBondContact O-CA 3.25Å; S393-G396 PolarHBondContact O-N 2.87Å; S393-G396 WeakPolarHBondContact OG-CA 3.38Å; S393-G396 PolarHBondContact OG-N 3.45Å; S393-I397 WeakPolarHBondContact O-CG1 3.37Å; S393-I397 PolarHBondContact O-N 3.1Å
394	P	86.6	Confident	85	Confident	20 Å²	20	62.7 Å²	62.7	13%	0.13	35%	0.349	C	S	.	.	H	α-helix	trans	-57.1	-41.1	179	-10.9	18.4	0	0	0	111.4	E378 L381 L388 I397 L398	E378-P394 HydrophobicContact CG-CB 3.92Å; E378-P394 HydrophobicContact CG-CG 4.48Å; L381-P394 HydrophobicContact CB-CB 4.38Å; L381-P394 HydrophobicContact CD2-CB 4.28Å; L381-P394 HydrophobicContact CG-CB 4.38Å; L388-P394 HydrophobicContact CD1-CB 4.22Å; L388-P394 VanDerWaalsContact CD1-CD 3.42Å; L388-P394 HydrophobicContact CD1-CG 3.59Å; P394-I397 PolarHBondContact O-N 3Å; P394-L398 WeakPolarHBondContact O-CG 3.48Å; P394-L398 PolarHBondContact O-N 2.96Å
395	L	86.9	Confident	84.9	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-38.6	174.6	-165.4	60.9	0	0	0	113.2	E374 E378 S393 I397 L398 K399	E374-L395 HydrophobicContact CG-CD1 3.54Å; E374-L395 WeakPolarHBondContact OE1-CD1 3.33Å; E378-L395 HydrophobicContact CB-CD1 4.36Å; E378-L395 HydrophobicContact CG-CB 4.07Å; E378-L395 HydrophobicContact CG-CD1 4.41Å; S393-L395 PolarHBondContact O-N 3.06Å; L395-I397 VanDerWaalsContact C-N 3.33Å; L395-L398 PolarHBondContact O-N 3.32Å; L395-K399 HydrophobicContact CD1-CD 4.43Å; L395-K399 HydrophobicContact CG-CD 4.19Å; L395-K399 WeakPolarHBondContact O-CB 3.21Å; L395-K399 WeakPolarHBondContact O-CG 3.47Å; L395-K399 PolarHBondContact O-N 3.03Å
396	G	87.6	Confident	84.9	Confident	32 Å²	32	68.3 Å²	68.3	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-42.9	176.8	0	0	0	0	0	111.4	S393 N400	S393-G396 WeakPolarHBondContact O-CA 3.25Å; S393-G396 PolarHBondContact O-N 2.87Å; S393-G396 WeakPolarHBondContact OG-CA 3.38Å; S393-G396 PolarHBondContact OG-N 3.45Å; G396-N400 WeakPolarHBondContact O-CB 3.38Å; G396-N400 PolarHBondContact O-N 3.16Å
397	I	89.3	Confident	85.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-55.2	171.9	-63	166.1	0	0	0	108.8	L363 L381 L388 C392 S393 P394 L395 K399 N400 E403 R404 I407	L363-I397 HydrophobicContact CD2-CG2 4.14Å; L381-I397 HydrophobicContact CD2-CB 4.09Å; L381-I397 HydrophobicContact CD2-CG2 3.97Å; L388-I397 HydrophobicContact CD1-CD1 4.39Å; L388-I397 HydrophobicContact CD2-CD1 3.55Å; C392-I397 HydrophobicContact CB-CD1 4.06Å; C392-I397 HydrophobicContact CB-CG1 4.21Å; S393-I397 WeakPolarHBondContact O-CG1 3.37Å; S393-I397 PolarHBondContact O-N 3.1Å; P394-I397 PolarHBondContact O-N 3Å; L395-I397 VanDerWaalsContact C-N 3.33Å; I397-K399 VanDerWaalsContact C-N 3.25Å; I397-K399 PolarHBondContact O-N 3.17Å; I397-K399 VanDerWaalsContact O-N 3.15Å; I397-N400 PolarHBondContact O-N 3.4Å; I397-E403 HydrophobicContact CG1-CG 4.02Å; I397-R404 HydrophobicContact CG2-CG 4.13Å; I397-R404 WeakPolarHBondContact O-CG 3.34Å; I397-I407 HydrophobicContact CB-CD1 4.47Å; I397-I407 HydrophobicContact CD1-CD1 3.37Å; I397-I407 HydrophobicContact CG1-CD1 3.56Å; I397-I407 HydrophobicContact CG2-CD1 4.07Å
398	L	89.2	Confident	86	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.2	-35.3	-176.7	-71.9	172.7	0	0	0	113.7	F303 L368 Q377 E378 L381 P394 L395 R404	F303-L398 HydrophobicContact CE1-CD2 4.19Å; F303-L398 HydrophobicContact CE2-CD2 3.78Å; F303-L398 HydrophobicContact CZ-CD2 3.55Å; L368-L398 HydrophobicContact CD1-CB 3.94Å; L368-L398 VanDerWaalsContact CD1-O 3.26Å; L368-L398 WeakPolarHBondContact CD1-O 3.49Å; Q377-L398 HydrophobicContact CB-CD1 3.96Å; E378-L398 VanDerWaalsContact CA-CD1 3.48Å; E378-L398 HydrophobicContact CB-CD1 4.11Å; L381-L398 HydrophobicContact CD2-CD1 4.42Å; L381-L398 HydrophobicContact CD2-CD2 3.96Å; L381-L398 HydrophobicContact CD2-CG 3.78Å; P394-L398 WeakPolarHBondContact O-CG 3.48Å; P394-L398 PolarHBondContact O-N 2.96Å; L395-L398 PolarHBondContact O-N 3.32Å; L398-R404 PolarHBondContact O-NH1 2.81Å
399	K	89.1	Confident	86.7	Confident	113 Å²	113	52.7 Å²	52.7	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-83.4	-38.9	-180	-71	-177.5	178.3	176.9	0	113.7	L368 E374 L395 I397 K401 R404	L368-K399 HydrophobicContact CD1-CG 3.75Å; E374-K399 VanDerWaalsContact OE1-CE 3.23Å; E374-K399 WeakPolarHBondContact OE1-CE 3.34Å; E374-K399 IonicContact OE1-NZ 3.14Å; E374-K399 PolarHBondContact OE1-NZ 2.89Å; E374-K399 WeakPolarHBondContact OE2-CE 3.4Å; E374-K399 IonicContact OE2-NZ 3.14Å; E374-K399 PolarHBondContact OE2-NZ 2.85Å; E374-K399 VanDerWaalsContact OE2-NZ 3.08Å; L395-K399 HydrophobicContact CD1-CD 4.43Å; L395-K399 HydrophobicContact CG-CD 4.19Å; L395-K399 WeakPolarHBondContact O-CB 3.21Å; L395-K399 WeakPolarHBondContact O-CG 3.47Å; L395-K399 PolarHBondContact O-N 3.03Å; I397-K399 VanDerWaalsContact C-N 3.25Å; I397-K399 PolarHBondContact O-N 3.17Å; I397-K399 VanDerWaalsContact O-N 3.15Å; K399-K401 PolarHBondContact O-N 2.89Å; K399-R404 PolarHBondContact O-NH1 3.34Å
400	N	91.1	Very high	87.6	Confident	76 Å²	76	51 Å²	51	41%	0.406	28%	0.281	S	S	.	.			trans	-87.9	111.1	-173.8	-173.1	-9.7	0	0	0	111.6	G396 I397 D402 E403 R404	G396-N400 WeakPolarHBondContact O-CB 3.38Å; G396-N400 PolarHBondContact O-N 3.16Å; I397-N400 PolarHBondContact O-N 3.4Å; N400-D402 VanDerWaalsContact C-N 3.34Å; N400-D402 PolarHBondContact O-N 3.39Å; N400-D402 PolarHBondContact OD1-N 3.35Å; N400-D402 VanDerWaalsContact OD1-N 3.08Å; N400-E403 HydrophobicContact CB-CB 3.88Å; N400-E403 PolarHBondContact O-N 3.42Å; N400-R404 WeakPolarHBondContact O-CG 3.27Å; N400-R404 PolarHBondContact O-N 3Å
401	K	90.9	Very high	88.8	Confident	101 Å²	101	41.4 Å²	41.4	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-55.5	-46.4	178.4	-179.4	175	174.5	170.1	0	112.4	K399 E403 R404 E405	K399-K401 PolarHBondContact O-N 2.89Å; K401-E403 VanDerWaalsContact C-N 3.25Å; K401-E403 PolarHBondContact O-N 3.48Å; K401-R404 PolarHBondContact O-N 2.83Å; K401-E405 WeakPolarHBondContact CE-OE1 3.49Å; K401-E405 HydrophobicContact CG-CG 4.46Å; K401-E405 IonicContact NZ-OE1 3.66Å; K401-E405 PolarHBondContact O-N 3.13Å
402	D	88.7	Confident	89.9	Confident	104 Å²	104	37.2 Å²	37.2	56%	0.556	19%	0.193	S	C	*	.	H	α-helix	trans	-63.7	-35.7	-177.6	-58.8	-20.3	0	0	0	111	N400 R406	N400-D402 VanDerWaalsContact C-N 3.34Å; N400-D402 PolarHBondContact O-N 3.39Å; N400-D402 PolarHBondContact OD1-N 3.35Å; N400-D402 VanDerWaalsContact OD1-N 3.08Å; D402-R406 WeakPolarHBondContact O-CB 3.39Å; D402-R406 PolarHBondContact O-N 3.38Å
403	E	88.4	Confident	90.6	Very high	27 Å²	27	38.7 Å²	38.7	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-73.6	-40.4	177.3	-159.9	61.3	-140.2	0	0	112	C392 I397 N400 K401 E405 R406 I407	C392-E403 PolarHBondContact SG-OE1 3.39Å; I397-E403 HydrophobicContact CG1-CG 4.02Å; N400-E403 HydrophobicContact CB-CB 3.88Å; N400-E403 PolarHBondContact O-N 3.42Å; K401-E403 VanDerWaalsContact C-N 3.25Å; K401-E403 PolarHBondContact O-N 3.48Å; E403-E405 VanDerWaalsContact C-N 3.33Å; E403-E405 PolarHBondContact O-N 2.95Å; E403-R406 PolarHBondContact O-N 2.86Å; E403-R406 IonicContact OE1-NH1 3.24Å; E403-R406 IonicContact OE2-CZ 3.07Å; E403-R406 IonicContact OE2-NH1 3.49Å; E403-R406 PolarHBondContact OE2-NH1 3.38Å; E403-I407 HydrophobicContact CG-CD1 4.18Å; E403-I407 WeakPolarHBondContact O-CG1 3.15Å; E403-I407 PolarHBondContact O-N 3.2Å
404	R	90.6	Very high	91	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.06	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-47	172.4	-65.2	-159.4	-60.8	-78.4	-1	111.1	H366 I397 L398 K399 N400 K401 G408	H366-R404 PolarHBondContact O-NE 2.75Å; H366-R404 PolarHBondContact O-NH2 3.46Å; I397-R404 HydrophobicContact CG2-CG 4.13Å; I397-R404 WeakPolarHBondContact O-CG 3.34Å; L398-R404 PolarHBondContact O-NH1 2.81Å; K399-R404 PolarHBondContact O-NH1 3.34Å; N400-R404 WeakPolarHBondContact O-CG 3.27Å; N400-R404 PolarHBondContact O-N 3Å; K401-R404 PolarHBondContact O-N 2.83Å; R404-G408 WeakPolarHBondContact O-CA 3.23Å; R404-G408 PolarHBondContact O-N 3.15Å
405	E	90.9	Very high	91.6	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-44.1	179.8	-74.8	-173.2	-170.5	0	0	111.6	L364 K401 E403 I407 G408 K409 Y456	L364-E405 HydrophobicContact CD2-CB 4.39Å; L364-E405 HydrophobicContact CD2-CG 4.27Å; K401-E405 WeakPolarHBondContact CE-OE1 3.49Å; K401-E405 HydrophobicContact CG-CG 4.46Å; K401-E405 IonicContact NZ-OE1 3.66Å; K401-E405 PolarHBondContact O-N 3.13Å; E403-E405 VanDerWaalsContact C-N 3.33Å; E403-E405 PolarHBondContact O-N 2.95Å; E405-I407 PolarHBondContact O-N 3Å; E405-G408 PolarHBondContact O-N 3.36Å; E405-K409 VanDerWaalsContact O-CB 3.28Å; E405-K409 WeakPolarHBondContact O-CB 3.42Å; E405-K409 WeakPolarHBondContact O-CG 3.29Å; E405-K409 PolarHBondContact O-N 2.97Å; E405-Y456 HydrophobicContact CG-CD1 4.5Å
406	R	89.4	Confident	92.1	Very high	92 Å²	92	36.8 Å²	36.8	35%	0.347	17%	0.174	S	C	.	.	H	α-helix	trans	-56.8	-50.7	176.8	-176.1	-173.9	-67.9	156.4	7.6	112.2	D402 E403 A410 D464 I466	D402-R406 WeakPolarHBondContact O-CB 3.39Å; D402-R406 PolarHBondContact O-N 3.38Å; E403-R406 PolarHBondContact O-N 2.86Å; E403-R406 IonicContact OE1-NH1 3.24Å; E403-R406 IonicContact OE2-CZ 3.07Å; E403-R406 IonicContact OE2-NH1 3.49Å; E403-R406 PolarHBondContact OE2-NH1 3.38Å; R406-A410 PolarHBondContact O-N 3.26Å; R406-A410 VanDerWaalsContact O-N 3.1Å; R406-D464 VanDerWaalsContact CD-OD2 3.29Å; R406-D464 WeakPolarHBondContact CD-OD2 3.38Å; R406-D464 IonicContact NE-OD2 2.85Å; R406-D464 PolarHBondContact NE-OD2 3.2Å; R406-I466 HydrophobicContact CG-CD1 3.73Å
407	I	90.8	Very high	92.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-70.9	-39	-180	-61.6	174.1	0	0	0	110.9	L363 I397 E403 E405 A410 H411	L363-I407 HydrophobicContact CD1-CB 4.21Å; L363-I407 HydrophobicContact CD1-CG2 3.68Å; I397-I407 HydrophobicContact CB-CD1 4.47Å; I397-I407 HydrophobicContact CD1-CD1 3.37Å; I397-I407 HydrophobicContact CG1-CD1 3.56Å; I397-I407 HydrophobicContact CG2-CD1 4.07Å; E403-I407 HydrophobicContact CG-CD1 4.18Å; E403-I407 WeakPolarHBondContact O-CG1 3.15Å; E403-I407 PolarHBondContact O-N 3.2Å; E405-I407 PolarHBondContact O-N 3Å; I407-A410 WeakPolarHBondContact O-CB 3.44Å; I407-A410 PolarHBondContact O-N 3.49Å; I407-H411 PolarHBondContact O-CD2 2.82Å; I407-H411 VanDerWaalsContact O-CD2 3.29Å; I407-H411 PolarHBondContact O-N 3.44Å
408	G	93.5	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-44.6	175.1	0	0	0	0	0	112.8	A360 R404 E405 A410 H411 I412	A360-G408 WeakPolarHBondContact CB-O 3.38Å; R404-G408 WeakPolarHBondContact O-CA 3.23Å; R404-G408 PolarHBondContact O-N 3.15Å; E405-G408 PolarHBondContact O-N 3.36Å; G408-A410 VanDerWaalsContact C-N 3.35Å; G408-A410 PolarHBondContact O-N 2.97Å; G408-H411 PolarHBondContact O-N 2.9Å; G408-I412 PolarHBondContact O-N 2.67Å
409	K	93.1	Very high	93.4	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-39.2	173.9	-73.6	176.7	-167.8	-174.7	0	111.6	L364 E405 I412 R413 Y456 E461	L364-K409 HydrophobicContact CD2-CG 4.44Å; E405-K409 VanDerWaalsContact O-CB 3.28Å; E405-K409 WeakPolarHBondContact O-CB 3.42Å; E405-K409 WeakPolarHBondContact O-CG 3.29Å; E405-K409 PolarHBondContact O-N 2.97Å; K409-I412 WeakPolarHBondContact O-CG2 3.36Å; K409-R413 WeakPolarHBondContact O-CG 3.46Å; K409-R413 PolarHBondContact O-N 3.33Å; K409-R413 VanDerWaalsContact O-N 3.15Å; K409-R413 PolarHBondContact O-NE 3.43Å; K409-Y456 WeakPolarHBondContact CE-O 3.38Å; K409-Y456 PolarHBondContact NZ-O 3.16Å; K409-E461 IonicContact NZ-OE1 2.81Å; K409-E461 PolarHBondContact NZ-OE1 2.93Å; K409-E461 IonicContact NZ-OE2 3.91Å; K409-E461 PolarHBondContact NZ-OE2 3.16Å
410	A	92.6	Very high	93.8	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-46.3	173.4	0	0	0	0	0	111.6	R406 I407 G408 R413 R414 I466 A468	R406-A410 PolarHBondContact O-N 3.26Å; R406-A410 VanDerWaalsContact O-N 3.1Å; I407-A410 WeakPolarHBondContact O-CB 3.44Å; I407-A410 PolarHBondContact O-N 3.49Å; G408-A410 VanDerWaalsContact C-N 3.35Å; G408-A410 PolarHBondContact O-N 2.97Å; A410-R413 PolarHBondContact O-N 3.02Å; A410-R414 PolarHBondContact O-N 2.97Å; A410-R414 VanDerWaalsContact O-N 3.12Å; A410-I466 HydrophobicContact CB-CG2 4.41Å; A410-I466 WeakPolarHBondContact CB-O 3.33Å; A410-A468 HydrophobicContact CB-CB 4Å
411	H	95.9	Very high	94.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-41.3	179.1	-79.9	-59.7	0	0	0	113.2	H356 L359 A360 Y385 I407 G408 R413 R414 A415 A468 P469	H356-H411 HydrophobicContact CB-CB 4.46Å; H356-H411 WeakPolarHBondContact CB-O 3.26Å; H356-H411 AromaticContact CE1-ND1 3.72Å; H356-H411 AromaticContact CG-ND1 3.94Å; H356-H411 AromaticContact ND1-CE1 3.64Å; H356-H411 AromaticContact ND1-ND1 2.94Å; H356-H411 PolarHBondContact ND1-ND1 3.38Å; L359-H411 WeakPolarHBondContact CD2-NE2 3.47Å; A360-H411 HydrophobicContact CB-CB 3.81Å; Y385-H411 AromaticContact CE1-CE1 3.89Å; Y385-H411 AromaticContact CE1-NE2 3.56Å; Y385-H411 AromaticContact CZ-NE2 3.68Å; Y385-H411 PolarHBondContact OH-NE2 3.26Å; I407-H411 PolarHBondContact O-CD2 2.82Å; I407-H411 VanDerWaalsContact O-CD2 3.29Å; I407-H411 PolarHBondContact O-N 3.44Å; G408-H411 PolarHBondContact O-N 2.9Å; H411-R413 VanDerWaalsContact C-N 3.34Å; H411-R413 PolarHBondContact O-N 3.5Å; H411-R414 WeakPolarHBondContact O-CB 3.4Å; H411-R414 PolarHBondContact O-N 3.37Å; H411-R414 VanDerWaalsContact O-N 3.17Å; H411-A415 PolarHBondContact O-N 3.15Å; H411-A468 WeakPolarHBondContact ND1-CB 3.41Å; H411-P469 PolarHBondContact CE1-O 2.81Å; H411-P469 VanDerWaalsContact CE1-O 3.31Å
412	I	96.4	Very high	94.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-67.3	-36	-179.9	-160.6	66.6	0	0	0	111.5	H357 A360 G408 K409 R414 A415 I416 S449 K452 Y453	H357-I412 WeakPolarHBondContact ND1-CD1 3.43Å; A360-I412 HydrophobicContact CB-CB 3.8Å; A360-I412 HydrophobicContact CB-CD1 4.06Å; G408-I412 PolarHBondContact O-N 2.67Å; K409-I412 WeakPolarHBondContact O-CG2 3.36Å; I412-R414 VanDerWaalsContact C-N 3.32Å; I412-R414 PolarHBondContact O-N 3.27Å; I412-A415 HydrophobicContact CD1-CB 4.42Å; I412-A415 WeakPolarHBondContact O-CB 3.11Å; I412-A415 PolarHBondContact O-N 3.03Å; I412-I416 WeakPolarHBondContact O-CG1 3.37Å; I412-I416 PolarHBondContact O-N 2.94Å; I412-S449 WeakPolarHBondContact CG1-O 3.42Å; I412-K452 HydrophobicContact CD1-CB 3.98Å; I412-K452 HydrophobicContact CD1-CG 3.95Å; I412-K452 HydrophobicContact CG1-CB 4.28Å; I412-K452 HydrophobicContact CG1-CG 4.32Å; I412-Y453 HydrophobicContact CG2-CD2 3.57Å; I412-Y453 HydrophobicContact CG2-CG 4.31Å
413	R	95.1	Very high	94.7	Very high	62 Å²	62	28.7 Å²	28.7	23%	0.234	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-41.8	171.6	-72	-176.7	-59.6	-153.7	5.1	111.6	K409 A410 H411 A415 I416 S417 Y453 D464 I466	K409-R413 WeakPolarHBondContact O-CG 3.46Å; K409-R413 PolarHBondContact O-N 3.33Å; K409-R413 VanDerWaalsContact O-N 3.15Å; K409-R413 PolarHBondContact O-NE 3.43Å; A410-R413 PolarHBondContact O-N 3.02Å; H411-R413 VanDerWaalsContact C-N 3.34Å; H411-R413 PolarHBondContact O-N 3.5Å; R413-A415 VanDerWaalsContact C-N 3.33Å; R413-A415 PolarHBondContact O-N 3.38Å; R413-I416 PolarHBondContact O-N 3.36Å; R413-S417 PolarHBondContact O-N 3.48Å; R413-Y453 HydrophobicContact CG-CD2 4.11Å; R413-Y453 HydrophobicContact CG-CE2 3.71Å; R413-D464 VanDerWaalsContact CZ-O 3.29Å; R413-D464 PolarHBondContact NH1-O 2.94Å; R413-D464 PolarHBondContact NH2-O 3.49Å; R413-I466 PolarHBondContact NH2-O 3.27Å
414	R	95.7	Very high	95.1	Very high	63 Å²	63	32.4 Å²	32.4	24%	0.238	15%	0.149	C	C	.	.	H	α-helix	trans	-65.2	-36.2	174.9	-168.3	165.2	179.5	-171.8	-5.2	112.3	H356 A410 H411 I412 G418 A468 P469 D470	H356-R414 VanDerWaalsContact NE2-CD 3.32Å; H356-R414 WeakPolarHBondContact NE2-CD 3.35Å; H356-R414 PolarHBondContact NE2-NE 3.38Å; H356-R414 VanDerWaalsContact NE2-NE 3.17Å; A410-R414 PolarHBondContact O-N 2.97Å; A410-R414 VanDerWaalsContact O-N 3.12Å; H411-R414 WeakPolarHBondContact O-CB 3.4Å; H411-R414 PolarHBondContact O-N 3.37Å; H411-R414 VanDerWaalsContact O-N 3.17Å; I412-R414 VanDerWaalsContact C-N 3.32Å; I412-R414 PolarHBondContact O-N 3.27Å; R414-G418 PolarHBondContact O-N 2.89Å; R414-A468 HydrophobicContact CB-CB 4.05Å; R414-A468 PolarHBondContact NH1-O 3.01Å; R414-P469 PolarHBondContact NH1-O 3.47Å; R414-D470 IonicContact CZ-OD1 2.86Å; R414-D470 IonicContact NH1-OD1 3.8Å; R414-D470 PolarHBondContact NH1-OD1 3Å; R414-D470 IonicContact NH2-OD1 2.7Å; R414-D470 PolarHBondContact NH2-OD1 3.31Å
415	A	98.1	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-42.8	173.1	0	0	0	0	0	112.3	A353 H356 H357 H411 I412 R413 G418 H419	A353-A415 VanDerWaalsContact CB-O 3.32Å; A353-A415 WeakPolarHBondContact CB-O 3.28Å; A353-A415 VanDerWaalsContact O-CB 3.25Å; A353-A415 WeakPolarHBondContact O-CB 3.33Å; H356-A415 HydrophobicContact CB-CB 3.98Å; H357-A415 HydrophobicContact CB-CB 4.02Å; H411-A415 PolarHBondContact O-N 3.15Å; I412-A415 HydrophobicContact CD1-CB 4.42Å; I412-A415 WeakPolarHBondContact O-CB 3.11Å; I412-A415 PolarHBondContact O-N 3.03Å; R413-A415 VanDerWaalsContact C-N 3.33Å; R413-A415 PolarHBondContact O-N 3.38Å; A415-G418 PolarHBondContact O-N 3.4Å; A415-H419 PolarHBondContact O-N 3.14Å; A415-H419 PolarHBondContact O-ND1 2.73Å
416	I	97.8	Very high	95.2	Very high	18 Å²	18	30.6 Å²	30.6	9%	0.092	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-56	175.4	-68	162.9	0	0	0	109.8	I412 R413 G418 H419 E420 L450 Y453	I412-I416 WeakPolarHBondContact O-CG1 3.37Å; I412-I416 PolarHBondContact O-N 2.94Å; R413-I416 PolarHBondContact O-N 3.36Å; I416-G418 VanDerWaalsContact C-N 3.29Å; I416-G418 PolarHBondContact O-N 3.28Å; I416-H419 PolarHBondContact O-N 2.69Å; I416-H419 VanDerWaalsContact O-N 3.07Å; I416-E420 HydrophobicContact CG2-CG 4.44Å; I416-E420 WeakPolarHBondContact O-CG 3.25Å; I416-E420 PolarHBondContact O-N 2.94Å; I416-L450 HydrophobicContact CD1-CD2 3.94Å; I416-L450 HydrophobicContact CG1-CD2 4.22Å; I416-L450 HydrophobicContact CG2-CD2 4.08Å; I416-Y453 HydrophobicContact CD1-CG 4.02Å
417	S	97	Very high	95.2	Very high	65 Å²	65	29.2 Å²	29.2	46%	0.455	15%	0.146	S	C	.	.	H	α-helix	trans	-56.7	-40.9	180	178.8	0	0	0	0	112.8	R413 E420 E421	R413-S417 PolarHBondContact O-N 3.48Å; S417-E420 PolarHBondContact O-N 2.95Å; S417-E421 WeakPolarHBondContact O-CB 3.35Å; S417-E421 PolarHBondContact O-N 3.32Å
418	G	97.6	Very high	95	Very high	14 Å²	14	35.7 Å²	35.7	14%	0.144	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-39.4	176.3	0	0	0	0	0	113.6	R414 A415 I416 E421 A422	R414-G418 PolarHBondContact O-N 2.89Å; A415-G418 PolarHBondContact O-N 3.4Å; I416-G418 VanDerWaalsContact C-N 3.29Å; I416-G418 PolarHBondContact O-N 3.28Å; G418-E421 PolarHBondContact O-N 3.34Å; G418-A422 PolarHBondContact O-N 3.46Å
419	H	98.3	Very high	94.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-70	-37.2	174.5	-77	139.6	0	0	0	112.7	H350 A353 A415 I416 E421 A422 L423 S445 H446	H350-H419 AromaticContact CE1-NE2 3.68Å; H350-H419 AromaticContact ND1-CD2 3.37Å; H350-H419 PolarHBondContact ND1-CD2 3.46Å; H350-H419 AromaticContact ND1-NE2 3.12Å; H350-H419 PolarHBondContact ND1-NE2 3.35Å; H350-H419 VanDerWaalsContact ND1-NE2 3.12Å; A353-H419 HydrophobicContact CB-CB 4.43Å; A353-H419 VanDerWaalsContact CB-CD2 3.46Å; A353-H419 WeakPolarHBondContact CB-CD2 3.39Å; A353-H419 WeakPolarHBondContact CB-NE2 3.34Å; A415-H419 PolarHBondContact O-N 3.14Å; A415-H419 PolarHBondContact O-ND1 2.73Å; I416-H419 PolarHBondContact O-N 2.69Å; I416-H419 VanDerWaalsContact O-N 3.07Å; H419-E421 VanDerWaalsContact C-N 3.32Å; H419-A422 WeakPolarHBondContact O-CB 3.48Å; H419-A422 PolarHBondContact O-N 3.27Å; H419-L423 WeakPolarHBondContact O-CG 3.2Å; H419-L423 PolarHBondContact O-N 3.12Å; H419-S445 WeakPolarHBondContact NE2-CB 3.29Å; H419-H446 HydrophobicContact CB-CB 3.89Å
420	E	97.9	Very high	94	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-42.3	171.7	-67.2	-179.3	164	0	0	111.3	I416 S417 A422 L423 R424	I416-E420 HydrophobicContact CG2-CG 4.44Å; I416-E420 WeakPolarHBondContact O-CG 3.25Å; I416-E420 PolarHBondContact O-N 2.94Å; S417-E420 PolarHBondContact O-N 2.95Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 3.12Å; E420-L423 PolarHBondContact O-N 3.17Å; E420-R424 WeakPolarHBondContact O-CB 3.42Å; E420-R424 WeakPolarHBondContact O-CG 3.43Å; E420-R424 PolarHBondContact O-N 2.62Å; E420-R424 IonicContact OE2-NH1 3.39Å
421	E	97.4	Very high	93.4	Very high	59 Å²	59	44 Å²	44	28%	0.276	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-37.7	175.6	-175.1	56.3	-151.7	0	0	111.9	S417 G418 H419 R424 N425	S417-E421 WeakPolarHBondContact O-CB 3.35Å; S417-E421 PolarHBondContact O-N 3.32Å; G418-E421 PolarHBondContact O-N 3.34Å; H419-E421 VanDerWaalsContact C-N 3.32Å; E421-R424 PolarHBondContact O-N 2.78Å; E421-R424 IonicContact OE2-CZ 2.56Å; E421-R424 IonicContact OE2-NE 2.7Å; E421-R424 PolarHBondContact OE2-NE 3.31Å; E421-R424 IonicContact OE2-NH2 3.71Å; E421-R424 PolarHBondContact OE2-NH2 3.06Å; E421-N425 WeakPolarHBondContact O-CB 3.47Å; E421-N425 PolarHBondContact O-N 2.86Å; E421-N425 PolarHBondContact O-ND2 3.06Å; E421-N425 PolarHBondContact OE1-ND2 2.9Å
422	A	96.9	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-44.1	172.4	0	0	0	0	0	111.7	V346 N349 H350 G418 H419 E420 N425 Y426 L442	V346-A422 HydrophobicContact CG1-CB 4.43Å; N349-A422 HydrophobicContact CB-CB 4Å; H350-A422 HydrophobicContact CB-CB 4.33Å; G418-A422 PolarHBondContact O-N 3.46Å; H419-A422 WeakPolarHBondContact O-CB 3.48Å; H419-A422 PolarHBondContact O-N 3.27Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 3.12Å; A422-N425 PolarHBondContact O-N 2.89Å; A422-Y426 WeakPolarHBondContact O-CB 3.19Å; A422-Y426 PolarHBondContact O-N 3.4Å; A422-L442 HydrophobicContact CB-CD2 3.97Å
423	L	95.9	Very high	91.4	Very high	37 Å²	37	49 Å²	49	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-39	175.8	-75.8	166.9	0	0	0	112.5	H419 E420 Y426 S427 L442 K443 H446	H419-L423 WeakPolarHBondContact O-CG 3.2Å; H419-L423 PolarHBondContact O-N 3.12Å; E420-L423 PolarHBondContact O-N 3.17Å; L423-Y426 WeakPolarHBondContact O-CB 3.48Å; L423-Y426 PolarHBondContact O-N 2.94Å; L423-S427 PolarHBondContact O-N 3.09Å; L423-S427 PolarHBondContact O-OG 3.32Å; L423-L442 HydrophobicContact CD2-CB 3.59Å; L423-L442 HydrophobicContact CD2-CD1 4.22Å; L423-L442 HydrophobicContact CG-CB 4.06Å; L423-K443 HydrophobicContact CD2-CG 4.16Å; L423-H446 HydrophobicContact CD1-CB 4.21Å
424	R	95.4	Very high	90.6	Very high	105 Å²	105	52.6 Å²	52.6	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-52.8	173.4	-76	-171.1	-66.3	-94.5	5.4	110.6	E420 E421 Y426 S427 L428	E420-R424 WeakPolarHBondContact O-CB 3.42Å; E420-R424 WeakPolarHBondContact O-CG 3.43Å; E420-R424 PolarHBondContact O-N 2.62Å; E420-R424 IonicContact OE2-NH1 3.39Å; E421-R424 PolarHBondContact O-N 2.78Å; E421-R424 IonicContact OE2-CZ 2.56Å; E421-R424 IonicContact OE2-NE 2.7Å; E421-R424 PolarHBondContact OE2-NE 3.31Å; E421-R424 IonicContact OE2-NH2 3.71Å; E421-R424 PolarHBondContact OE2-NH2 3.06Å; R424-Y426 VanDerWaalsContact C-N 3.29Å; R424-Y426 PolarHBondContact O-N 3.46Å; R424-S427 PolarHBondContact O-N 2.71Å; R424-S427 PolarHBondContact O-OG 3.27Å; R424-L428 WeakPolarHBondContact O-CG 3.19Å; R424-L428 PolarHBondContact O-N 2.66Å; R424-L428 VanDerWaalsContact O-N 3.12Å
425	N	92.9	Very high	90.1	Very high	12 Å²	12	50 Å²	50	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-38.3	178.4	-74.7	-56.5	0	0	0	112.5	T342 V346 N349 E421 A422 L428	T342-N425 HydrophobicContact CG2-CB 4.4Å; T342-N425 VanDerWaalsContact CG2-O 3.29Å; T342-N425 WeakPolarHBondContact CG2-O 3.39Å; V346-N425 HydrophobicContact CG2-CB 3.68Å; N349-N425 PolarHBondContact ND2-ND2 3.03Å; E421-N425 WeakPolarHBondContact O-CB 3.47Å; E421-N425 PolarHBondContact O-N 2.86Å; E421-N425 PolarHBondContact O-ND2 3.06Å; E421-N425 PolarHBondContact OE1-ND2 2.9Å; A422-N425 PolarHBondContact O-N 2.89Å; N425-L428 PolarHBondContact O-N 3.35Å
426	Y	91.9	Very high	89.5	Confident	5 Å²	5	57.1 Å²	57.1	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-48.7	171.9	172.4	-86.8	0	0	0	111.6	A422 L423 R424 L428 C429 L432 E433 L435 L438 Q439 L442	A422-Y426 WeakPolarHBondContact O-CB 3.19Å; A422-Y426 PolarHBondContact O-N 3.4Å; L423-Y426 WeakPolarHBondContact O-CB 3.48Å; L423-Y426 PolarHBondContact O-N 2.94Å; R424-Y426 VanDerWaalsContact C-N 3.29Å; R424-Y426 PolarHBondContact O-N 3.46Å; Y426-L428 VanDerWaalsContact C-N 3.28Å; Y426-L428 PolarHBondContact O-N 3.44Å; Y426-C429 PolarHBondContact O-N 3.03Å; Y426-L432 HydrophobicContact CD2-CB 3.91Å; Y426-L432 HydrophobicContact CE2-CB 4.07Å; Y426-L432 WeakPolarHBondContact CE2-O 3.38Å; Y426-L432 VanDerWaalsContact CZ-O 3.24Å; Y426-L432 PolarHBondContact OH-O 2.98Å; Y426-L432 VanDerWaalsContact OH-O 3.07Å; Y426-E433 WeakPolarHBondContact OH-CA 3.37Å; Y426-E433 PolarHBondContact OH-O 2.82Å; Y426-L435 PolarHBondContact OH-O 3.14Å; Y426-L435 VanDerWaalsContact OH-O 3.08Å; Y426-L438 HydrophobicContact CD2-CD2 3.79Å; Y426-L438 HydrophobicContact CD2-CG 3.96Å; Y426-L438 HydrophobicContact CE2-CB 4.18Å; Y426-L438 HydrophobicContact CE2-CD2 4.03Å; Y426-L438 HydrophobicContact CE2-CG 4.06Å; Y426-Q439 HydrophobicContact CD1-CG 4.2Å; Y426-Q439 HydrophobicContact CE1-CB 3.94Å; Y426-Q439 HydrophobicContact CE1-CG 3.6Å; Y426-Q439 HydrophobicContact CE2-CB 4.2Å; Y426-L442 HydrophobicContact CD2-CD1 4.34Å; Y426-L442 HydrophobicContact CG-CD1 4.35Å
427	S	89.5	Confident	88.9	Confident	63 Å²	63	57.9 Å²	57.9	44%	0.441	29%	0.293	S	S	.	.	H	α-helix	trans	-69	-21	-178.4	69.7	0	0	0	0	114.7	L423 R424 C429	L423-S427 PolarHBondContact O-N 3.09Å; L423-S427 PolarHBondContact O-OG 3.32Å; R424-S427 PolarHBondContact O-N 2.71Å; R424-S427 PolarHBondContact O-OG 3.27Å; S427-C429 VanDerWaalsContact C-N 3.3Å; S427-C429 PolarHBondContact O-N 3.37Å
428	L	86.2	Confident	88.6	Confident	139 Å²	139	54.8 Å²	54.8	73%	0.728	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11	-179.7	-69.8	172.9	0	0	0	113.3	R424 N425 Y426	R424-L428 WeakPolarHBondContact O-CG 3.19Å; R424-L428 PolarHBondContact O-N 2.66Å; R424-L428 VanDerWaalsContact O-N 3.12Å; N425-L428 PolarHBondContact O-N 3.35Å; Y426-L428 VanDerWaalsContact C-N 3.28Å; Y426-L428 PolarHBondContact O-N 3.44Å
429	C	85.1	Confident	88.4	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.027	28%	0.278	C	S	.	.			trans	-116	108.2	-179.7	-172.4	0	0	0	0	111.4	T342 Y426 S427 H431 L432 E433	T342-C429 HydrophobicContact CG2-CB 3.93Å; Y426-C429 PolarHBondContact O-N 3.03Å; S427-C429 VanDerWaalsContact C-N 3.3Å; S427-C429 PolarHBondContact O-N 3.37Å; C429-H431 PolarHBondContact O-N 3.31Å; C429-L432 HydrophobicContact CB-CB 4.13Å; C429-L432 HydrophobicContact CB-CD1 3.78Å; C429-L432 HydrophobicContact CB-CG 3.86Å; C429-L432 WeakPolarHBondContact O-CB 3.38Å; C429-L432 PolarHBondContact O-N 3.19Å; C429-E433 PolarHBondContact O-N 3.37Å
430	Q	81.2	Confident	88.1	Confident	137 Å²	137	62 Å²	62	64%	0.64	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.5	179.6	-168.8	-175.6	16.8	0	0	114.2
431	H	78.9	Confident	87.9	Confident	58 Å²	58	59.6 Å²	59.6	27%	0.269	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.7	177.6	-68.2	93.2	0	0	0	112.5	F339 C429	F339-H431 HydrophobicContact CB-CB 4.37Å; F339-H431 HydrophobicContact CD2-CB 3.69Å; F339-H431 HydrophobicContact CE2-CB 4.5Å; F339-H431 HydrophobicContact CG-CB 4.46Å; C429-H431 PolarHBondContact O-N 3.31Å
432	L	77.9	Confident	87.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-73.9	-32.7	175	-69	178.2	0	0	0	112	F339 T342 M343 V346 Y426 C429 K434 L435 L438	F339-L432 HydrophobicContact CD2-CD2 3.69Å; F339-L432 HydrophobicContact CD2-CG 4.08Å; F339-L432 HydrophobicContact CE2-CD2 3.36Å; F339-L432 HydrophobicContact CE2-CG 4.17Å; F339-L432 HydrophobicContact CZ-CD2 3.98Å; T342-L432 HydrophobicContact CG2-CD1 3.54Å; M343-L432 HydrophobicContact CB-CD2 4.32Å; M343-L432 HydrophobicContact CE-CD2 3.36Å; M343-L432 HydrophobicContact SD-CD2 4.14Å; V346-L432 HydrophobicContact CG2-CD1 4.13Å; Y426-L432 HydrophobicContact CD2-CB 3.91Å; Y426-L432 HydrophobicContact CE2-CB 4.07Å; Y426-L432 WeakPolarHBondContact CE2-O 3.38Å; Y426-L432 VanDerWaalsContact CZ-O 3.24Å; Y426-L432 PolarHBondContact OH-O 2.98Å; Y426-L432 VanDerWaalsContact OH-O 3.07Å; C429-L432 HydrophobicContact CB-CB 4.13Å; C429-L432 HydrophobicContact CB-CD1 3.78Å; C429-L432 HydrophobicContact CB-CG 3.86Å; C429-L432 WeakPolarHBondContact O-CB 3.38Å; C429-L432 PolarHBondContact O-N 3.19Å; L432-K434 PolarHBondContact O-N 3.37Å; L432-L435 HydrophobicContact CD2-CD1 3.96Å; L432-L435 WeakPolarHBondContact O-CB 3.45Å; L432-L435 PolarHBondContact O-N 3.04Å; L432-L438 HydrophobicContact CD2-CD2 4.25Å
433	E	72.9	Confident	87.8	Confident	107 Å²	107	60.7 Å²	60.7	50%	0.5	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.8	-21.6	177.6	-66.7	-177.1	154.2	0	0	113.7	Y426 C429 L435	Y426-E433 WeakPolarHBondContact OH-CA 3.37Å; Y426-E433 PolarHBondContact OH-O 2.82Å; C429-E433 PolarHBondContact O-N 3.37Å; E433-L435 VanDerWaalsContact C-N 3.28Å
434	K	78.9	Confident	87.8	Confident	138 Å²	138	61.5 Å²	61.5	60%	0.6	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-78.5	-13.2	176.9	-60.6	178.2	-176.3	174.2	0	113.1	L432 E436	L432-K434 PolarHBondContact O-N 3.37Å; K434-E436 PolarHBondContact O-N 3.23Å
435	L	84.8	Confident	87.9	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	29%	0.293	C	S	.	.			trans	-93.7	79	-179.2	-56.1	177.5	0	0	0	109.7	V97 D98 P110 F339 M343 Y426 L432 E433 A437 L438 Q439	V97-L435 HydrophobicContact CG2-CD1 4.12Å; V97-L435 HydrophobicContact CG2-CD2 3.85Å; D98-L435 WeakPolarHBondContact OD1-CD2 3.34Å; P110-L435 HydrophobicContact CB-CD1 4.5Å; P110-L435 HydrophobicContact CG-CD1 4.18Å; P110-L435 HydrophobicContact CG-CD2 4.44Å; F339-L435 HydrophobicContact CE2-CD1 3.76Å; F339-L435 HydrophobicContact CZ-CD1 3.84Å; M343-L435 HydrophobicContact CE-CD1 3.54Å; Y426-L435 PolarHBondContact OH-O 3.14Å; Y426-L435 VanDerWaalsContact OH-O 3.08Å; L432-L435 HydrophobicContact CD2-CD1 3.96Å; L432-L435 WeakPolarHBondContact O-CB 3.45Å; L432-L435 PolarHBondContact O-N 3.04Å; E433-L435 VanDerWaalsContact C-N 3.28Å; L435-A437 VanDerWaalsContact C-N 3.29Å; L435-A437 PolarHBondContact O-N 3Å; L435-L438 HydrophobicContact CB-CB 3.99Å; L435-L438 HydrophobicContact CD1-CD2 4.35Å; L435-L438 PolarHBondContact O-N 3.19Å; L435-Q439 PolarHBondContact O-N 2.84Å
436	E	85.3	Confident	88.1	Confident	150 Å²	150	58.3 Å²	58.3	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-58.5	-41.8	-179.2	-65.5	179.4	-180	0	0	111.7	K434 L438 Q439 E440	K434-E436 PolarHBondContact O-N 3.23Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.18Å; E436-Q439 WeakPolarHBondContact O-CB 3.47Å; E436-Q439 PolarHBondContact O-N 3.01Å; E436-E440 WeakPolarHBondContact O-CG 3.27Å; E436-E440 PolarHBondContact O-N 2.86Å
437	A	86	Confident	88.4	Confident	34 Å²	34	65 Å²	65	28%	0.281	32%	0.323	S	S	.	.	H	α-helix	trans	-57.6	-41.1	178.1	0	0	0	0	0	112.6	L435 E440 I441	L435-A437 VanDerWaalsContact C-N 3.29Å; L435-A437 PolarHBondContact O-N 3Å; A437-E440 PolarHBondContact O-N 2.86Å; A437-I441 WeakPolarHBondContact O-CD1 3.46Å; A437-I441 WeakPolarHBondContact O-CG1 3.46Å; A437-I441 PolarHBondContact O-N 3.16Å
438	L	90.4	Very high	88.7	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-43.5	176.2	176.7	57.3	0	0	0	111.1	I109 M343 Y426 L432 L435 E436 E440 I441 L442	I109-L438 HydrophobicContact CG1-CD1 4.16Å; I109-L438 HydrophobicContact CG2-CD1 4Å; M343-L438 HydrophobicContact CE-CD2 3.8Å; M343-L438 HydrophobicContact SD-CD2 3.84Å; Y426-L438 HydrophobicContact CD2-CD2 3.79Å; Y426-L438 HydrophobicContact CD2-CG 3.96Å; Y426-L438 HydrophobicContact CE2-CB 4.18Å; Y426-L438 HydrophobicContact CE2-CD2 4.03Å; Y426-L438 HydrophobicContact CE2-CG 4.06Å; L432-L438 HydrophobicContact CD2-CD2 4.25Å; L435-L438 HydrophobicContact CB-CB 3.99Å; L435-L438 HydrophobicContact CD1-CD2 4.35Å; L435-L438 PolarHBondContact O-N 3.19Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.18Å; L438-E440 VanDerWaalsContact C-N 3.32Å; L438-E440 PolarHBondContact O-N 2.7Å; L438-I441 PolarHBondContact O-N 3.02Å; L438-L442 HydrophobicContact CD1-CD1 4.17Å; L438-L442 HydrophobicContact CD1-CG 4.11Å; L438-L442 HydrophobicContact CG-CD1 4.15Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.2Å; L438-L442 PolarHBondContact O-N 3.48Å
439	Q	91.9	Very high	89.2	Confident	63 Å²	63	62.3 Å²	62.3	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-44.7	178.7	-156.1	-173	39.4	0	0	111.7	Y426 L435 E436 L442 K443	Y426-Q439 HydrophobicContact CD1-CG 4.2Å; Y426-Q439 HydrophobicContact CE1-CB 3.94Å; Y426-Q439 HydrophobicContact CE1-CG 3.6Å; Y426-Q439 HydrophobicContact CE2-CB 4.2Å; L435-Q439 PolarHBondContact O-N 2.84Å; E436-Q439 WeakPolarHBondContact O-CB 3.47Å; E436-Q439 PolarHBondContact O-N 3.01Å; Q439-L442 PolarHBondContact O-N 3.31Å; Q439-K443 VanDerWaalsContact CD-NZ 3.29Å; Q439-K443 HydrophobicContact CG-CD 4.47Å; Q439-K443 WeakPolarHBondContact O-CB 3.2Å; Q439-K443 WeakPolarHBondContact O-CG 3.37Å; Q439-K443 PolarHBondContact O-N 3.15Å
440	E	92.9	Very high	89.8	Confident	104 Å²	104	64.9 Å²	64.9	49%	0.486	31%	0.306	S	S	.	.	H	α-helix	trans	-67.5	-38.8	-179	-66.8	-51.9	116.6	0	0	112	E436 A437 L438 K443 A444	E436-E440 WeakPolarHBondContact O-CG 3.27Å; E436-E440 PolarHBondContact O-N 2.86Å; A437-E440 PolarHBondContact O-N 2.86Å; L438-E440 VanDerWaalsContact C-N 3.32Å; L438-E440 PolarHBondContact O-N 2.7Å; E440-K443 PolarHBondContact O-N 3.22Å; E440-K443 IonicContact OE1-NZ 3.18Å; E440-K443 PolarHBondContact OE1-NZ 2.94Å; E440-A444 WeakPolarHBondContact O-CB 3.43Å; E440-A444 PolarHBondContact O-N 2.99Å
441	I	93.6	Very high	90.5	Very high	30 Å²	30	61.1 Å²	61.1	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-47.2	172.8	-67	162.5	0	0	0	110.8	T107 N108 I109 A437 L438 A444 S445	T107-I441 VanDerWaalsContact O-CD1 3.25Å; T107-I441 WeakPolarHBondContact O-CD1 3.5Å; N108-I441 VanDerWaalsContact C-CD1 3.45Å; I109-I441 HydrophobicContact CD1-CG2 4.26Å; I109-I441 HydrophobicContact CG1-CD1 3.93Å; I109-I441 HydrophobicContact CG1-CG2 4.05Å; A437-I441 WeakPolarHBondContact O-CD1 3.46Å; A437-I441 WeakPolarHBondContact O-CG1 3.46Å; A437-I441 PolarHBondContact O-N 3.16Å; L438-I441 PolarHBondContact O-N 3.02Å; I441-A444 PolarHBondContact O-N 3.31Å; I441-S445 WeakPolarHBondContact O-CB 3.41Å; I441-S445 PolarHBondContact O-N 3.27Å; I441-S445 PolarHBondContact O-OG 3.37Å
442	L	95.6	Very high	91.3	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-45	179.5	-67.5	176	0	0	0	111.8	V346 H350 A422 L423 Y426 L438 Q439 S445 H446	V346-L442 HydrophobicContact CG1-CD1 3.85Å; V346-L442 HydrophobicContact CG1-CD2 4.3Å; H350-L442 HydrophobicContact CB-CD2 3.8Å; A422-L442 HydrophobicContact CB-CD2 3.97Å; L423-L442 HydrophobicContact CD2-CB 3.59Å; L423-L442 HydrophobicContact CD2-CD1 4.22Å; L423-L442 HydrophobicContact CG-CB 4.06Å; Y426-L442 HydrophobicContact CD2-CD1 4.34Å; Y426-L442 HydrophobicContact CG-CD1 4.35Å; L438-L442 HydrophobicContact CD1-CD1 4.17Å; L438-L442 HydrophobicContact CD1-CG 4.11Å; L438-L442 HydrophobicContact CG-CD1 4.15Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.2Å; L438-L442 PolarHBondContact O-N 3.48Å; Q439-L442 PolarHBondContact O-N 3.31Å; L442-S445 PolarHBondContact O-N 3.5Å; L442-H446 VanDerWaalsContact O-CB 3.31Å; L442-H446 WeakPolarHBondContact O-CB 3.16Å; L442-H446 PolarHBondContact O-N 3.02Å
443	K	96.2	Very high	92.1	Very high	81 Å²	81	62 Å²	62	35%	0.352	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-43.7	176.4	-74.4	176.9	-169	153	0	112	L423 Q439 E440 S445 H446 R447	L423-K443 HydrophobicContact CD2-CG 4.16Å; Q439-K443 VanDerWaalsContact CD-NZ 3.29Å; Q439-K443 HydrophobicContact CG-CD 4.47Å; Q439-K443 WeakPolarHBondContact O-CB 3.2Å; Q439-K443 WeakPolarHBondContact O-CG 3.37Å; Q439-K443 PolarHBondContact O-N 3.15Å; E440-K443 PolarHBondContact O-N 3.22Å; E440-K443 IonicContact OE1-NZ 3.18Å; E440-K443 PolarHBondContact OE1-NZ 2.94Å; K443-S445 VanDerWaalsContact C-N 3.31Å; K443-S445 PolarHBondContact O-N 2.87Å; K443-H446 PolarHBondContact O-N 2.95Å; K443-R447 VanDerWaalsContact O-CB 3.29Å; K443-R447 WeakPolarHBondContact O-CB 3.45Å; K443-R447 PolarHBondContact O-N 3.43Å
444	A	96.3	Very high	93	Very high	54 Å²	54	60.2 Å²	60.2	45%	0.446	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-40.3	178.1	0	0	0	0	0	111.5	E440 I441 R447 R448	E440-A444 WeakPolarHBondContact O-CB 3.43Å; E440-A444 PolarHBondContact O-N 2.99Å; I441-A444 PolarHBondContact O-N 3.31Å; A444-R447 PolarHBondContact O-N 2.91Å; A444-R448 WeakPolarHBondContact O-CB 3.48Å; A444-R448 PolarHBondContact O-N 3.25Å
445	S	96.6	Very high	93.6	Very high	16 Å²	16	59 Å²	59	11%	0.112	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-41.6	178.4	-54.2	0	0	0	0	111.7	H350 H419 I441 L442 K443 R448 S449	H350-S445 PolarHBondContact CE1-OG 3.34Å; H350-S445 VanDerWaalsContact CE1-OG 3.3Å; H419-S445 WeakPolarHBondContact NE2-CB 3.29Å; I441-S445 WeakPolarHBondContact O-CB 3.41Å; I441-S445 PolarHBondContact O-N 3.27Å; I441-S445 PolarHBondContact O-OG 3.37Å; L442-S445 PolarHBondContact O-N 3.5Å; K443-S445 VanDerWaalsContact C-N 3.31Å; K443-S445 PolarHBondContact O-N 2.87Å; S445-R448 PolarHBondContact O-N 3.17Å; S445-S449 PolarHBondContact O-N 3.36Å; S445-S449 VanDerWaalsContact O-N 3.14Å; S445-S449 PolarHBondContact O-OG 3.33Å
446	H	98.1	Very high	93.7	Very high	33 Å²	33	61.1 Å²	61.1	15%	0.153	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-47.5	172	-178.5	-123.9	0	0	0	111.7	H419 L423 L442 K443 R448 S449 L450	H419-H446 HydrophobicContact CB-CB 3.89Å; L423-H446 HydrophobicContact CD1-CB 4.21Å; L442-H446 VanDerWaalsContact O-CB 3.31Å; L442-H446 WeakPolarHBondContact O-CB 3.16Å; L442-H446 PolarHBondContact O-N 3.02Å; K443-H446 PolarHBondContact O-N 2.95Å; H446-R448 VanDerWaalsContact C-N 3.34Å; H446-R448 PolarHBondContact O-N 3.11Å; H446-S449 PolarHBondContact O-N 2.85Å; H446-S449 VanDerWaalsContact O-N 3.15Å; H446-L450 VanDerWaalsContact CE1-CD1 3.43Å; H446-L450 WeakPolarHBondContact CE1-CD1 3.39Å; H446-L450 PolarHBondContact O-N 3.39Å
447	R	97.8	Very high	93.5	Very high	147 Å²	147	58 Å²	58	56%	0.555	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-43	179.3	-176.5	65	-163.5	-174	6.8	111.7	K443 A444 S449 L450 D451	K443-R447 VanDerWaalsContact O-CB 3.29Å; K443-R447 WeakPolarHBondContact O-CB 3.45Å; K443-R447 PolarHBondContact O-N 3.43Å; A444-R447 PolarHBondContact O-N 2.91Å; R447-S449 VanDerWaalsContact C-N 3.3Å; R447-S449 PolarHBondContact O-N 2.96Å; R447-L450 WeakPolarHBondContact O-CB 3.23Å; R447-L450 PolarHBondContact O-N 2.99Å; R447-L450 VanDerWaalsContact O-N 3.13Å; R447-D451 IonicContact CZ-OD1 2.68Å; R447-D451 IonicContact NE-OD1 3.21Å; R447-D451 PolarHBondContact NE-OD1 2.97Å; R447-D451 IonicContact NE-OD2 2.73Å; R447-D451 PolarHBondContact NE-OD2 3.26Å; R447-D451 IonicContact NH2-OD1 2.74Å; R447-D451 PolarHBondContact NH2-OD1 3.38Å; R447-D451 VanDerWaalsContact O-CG 3.3Å; R447-D451 PolarHBondContact O-N 2.96Å
448	R	96.1	Very high	93.1	Very high	145 Å²	145	60.1 Å²	60.1	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-40.2	175.1	-168.7	-176.3	-64.3	156.2	2.3	112.3	H357 A444 S445 H446 K452	H357-R448 WeakPolarHBondContact NE2-CD 3.39Å; A444-R448 WeakPolarHBondContact O-CB 3.48Å; A444-R448 PolarHBondContact O-N 3.25Å; S445-R448 PolarHBondContact O-N 3.17Å; H446-R448 VanDerWaalsContact C-N 3.34Å; H446-R448 PolarHBondContact O-N 3.11Å; R448-K452 WeakPolarHBondContact O-CB 3.33Å; R448-K452 PolarHBondContact O-N 3.32Å; R448-K452 VanDerWaalsContact O-N 3.09Å
449	S	97.3	Very high	91.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68	-37.6	174.9	-63.5	0	0	0	0	112.8	H357 I412 S445 H446 R447 Y453	H357-S449 PolarHBondContact ND1-OG 3.44Å; I412-S449 WeakPolarHBondContact CG1-O 3.42Å; S445-S449 PolarHBondContact O-N 3.36Å; S445-S449 VanDerWaalsContact O-N 3.14Å; S445-S449 PolarHBondContact O-OG 3.33Å; H446-S449 PolarHBondContact O-N 2.85Å; H446-S449 VanDerWaalsContact O-N 3.15Å; R447-S449 VanDerWaalsContact C-N 3.3Å; R447-S449 PolarHBondContact O-N 2.96Å; S449-Y453 WeakPolarHBondContact O-CB 3.35Å; S449-Y453 PolarHBondContact O-N 3.13Å
450	L	97.2	Very high	90.6	Very high	57 Å²	57	75.5 Å²	75.5	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-47.5	175.9	-75.9	172.1	0	0	0	112.3	I416 H446 R447 K452 Y453 S454	I416-L450 HydrophobicContact CD1-CD2 3.94Å; I416-L450 HydrophobicContact CG1-CD2 4.22Å; I416-L450 HydrophobicContact CG2-CD2 4.08Å; H446-L450 VanDerWaalsContact CE1-CD1 3.43Å; H446-L450 WeakPolarHBondContact CE1-CD1 3.39Å; H446-L450 PolarHBondContact O-N 3.39Å; R447-L450 WeakPolarHBondContact O-CB 3.23Å; R447-L450 PolarHBondContact O-N 2.99Å; R447-L450 VanDerWaalsContact O-N 3.13Å; L450-K452 VanDerWaalsContact C-N 3.28Å; L450-K452 PolarHBondContact O-N 3.26Å; L450-Y453 PolarHBondContact O-N 3.4Å; L450-Y453 VanDerWaalsContact O-N 3.16Å; L450-S454 PolarHBondContact O-N 3.39Å
451	D	96.5	Very high	89.5	Confident	59 Å²	59	74.9 Å²	74.9	32%	0.316	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-44.3	178.1	-66.4	-29.4	0	0	0	109.5	R447 Y453 S454 D455	R447-D451 IonicContact CZ-OD1 2.68Å; R447-D451 IonicContact NE-OD1 3.21Å; R447-D451 PolarHBondContact NE-OD1 2.97Å; R447-D451 IonicContact NE-OD2 2.73Å; R447-D451 PolarHBondContact NE-OD2 3.26Å; R447-D451 IonicContact NH2-OD1 2.74Å; R447-D451 PolarHBondContact NH2-OD1 3.38Å; R447-D451 VanDerWaalsContact O-CG 3.3Å; R447-D451 PolarHBondContact O-N 2.96Å; D451-Y453 VanDerWaalsContact C-N 3.34Å; D451-Y453 PolarHBondContact O-N 3.45Å; D451-S454 WeakPolarHBondContact CA-OG 3.39Å; D451-S454 PolarHBondContact O-N 3.09Å; D451-S454 VanDerWaalsContact O-N 3.12Å; D451-S454 PolarHBondContact O-OG 3.09Å; D451-D455 PolarHBondContact O-N 2.83Å; D451-D455 VanDerWaalsContact O-N 3.09Å
452	K	94.9	Very high	88.3	Confident	23 Å²	23	82.5 Å²	82.5	10%	0.1	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-37.1	176.1	-170.6	63.4	175.7	-177	0	113.6	D365 I412 R448 L450 Y456	D365-K452 IonicContact OD1-NZ 3.35Å; D365-K452 PolarHBondContact OD1-NZ 2.83Å; D365-K452 IonicContact OD2-NZ 3Å; D365-K452 PolarHBondContact OD2-NZ 2.87Å; I412-K452 HydrophobicContact CD1-CB 3.98Å; I412-K452 HydrophobicContact CD1-CG 3.95Å; I412-K452 HydrophobicContact CG1-CB 4.28Å; I412-K452 HydrophobicContact CG1-CG 4.32Å; R448-K452 WeakPolarHBondContact O-CB 3.33Å; R448-K452 PolarHBondContact O-N 3.32Å; R448-K452 VanDerWaalsContact O-N 3.09Å; L450-K452 VanDerWaalsContact C-N 3.28Å; L450-K452 PolarHBondContact O-N 3.26Å; K452-Y456 HydrophobicContact CD-CE2 4.41Å; K452-Y456 WeakPolarHBondContact O-CD2 3.39Å
453	Y	93.9	Very high	86.8	Confident	52 Å²	52	85.2 Å²	85.2	20%	0.204	41%	0.413	C	S	.	.	H	α-helix	trans	-65.1	-43.2	173.7	177	-99.5	0	0	0	110.8	I412 R413 I416 S449 L450 D451 D455 Y456 D457	I412-Y453 HydrophobicContact CG2-CD2 3.57Å; I412-Y453 HydrophobicContact CG2-CG 4.31Å; R413-Y453 HydrophobicContact CG-CD2 4.11Å; R413-Y453 HydrophobicContact CG-CE2 3.71Å; I416-Y453 HydrophobicContact CD1-CG 4.02Å; S449-Y453 WeakPolarHBondContact O-CB 3.35Å; S449-Y453 PolarHBondContact O-N 3.13Å; L450-Y453 PolarHBondContact O-N 3.4Å; L450-Y453 VanDerWaalsContact O-N 3.16Å; D451-Y453 VanDerWaalsContact C-N 3.34Å; D451-Y453 PolarHBondContact O-N 3.45Å; Y453-D455 VanDerWaalsContact C-N 3.29Å; Y453-D455 PolarHBondContact O-N 3.28Å; Y453-Y456 CarbonylContact O-C 3.59Å; Y453-Y456 PolarHBondContact O-N 3.35Å; Y453-Y456 VanDerWaalsContact O-N 3.1Å; Y453-D457 HydrophobicContact CD1-CB 4.36Å; Y453-D457 HydrophobicContact CE1-CB 3.98Å; Y453-D457 PolarHBondContact O-N 2.96Å; Y453-D457 PolarHBondContact OH-OD1 3.2Å
454	S	92.9	Very high	85.5	Confident	70 Å²	70	84.6 Å²	84.6	49%	0.49	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-28.5	-179.8	65.6	0	0	0	0	114.2	L450 D451 Y456	L450-S454 PolarHBondContact O-N 3.39Å; D451-S454 WeakPolarHBondContact CA-OG 3.39Å; D451-S454 PolarHBondContact O-N 3.09Å; D451-S454 VanDerWaalsContact O-N 3.12Å; D451-S454 PolarHBondContact O-OG 3.09Å; S454-Y456 PolarHBondContact O-N 2.98Å
455	D	91.8	Very high	84.2	Confident	114 Å²	114	91.5 Å²	91.5	61%	0.61	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.5	174.9	-67.1	-24.9	0	0	0	112.8	D451 Y453	D451-D455 PolarHBondContact O-N 2.83Å; D451-D455 VanDerWaalsContact O-N 3.09Å; Y453-D455 VanDerWaalsContact C-N 3.29Å; Y453-D455 PolarHBondContact O-N 3.28Å
456	Y	86.7	Confident	83.6	Confident	51 Å²	51	93.4 Å²	93.4	20%	0.2	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	2.8	-175.2	-67.7	-95	0	0	0	113.3	L364 D365 E405 K409 K452 Y453 S454	L364-Y456 VanDerWaalsContact C-OH 3.28Å; L364-Y456 HydrophobicContact CB-CD1 4.41Å; L364-Y456 HydrophobicContact CB-CD2 4.38Å; L364-Y456 HydrophobicContact CB-CE1 3.89Å; L364-Y456 HydrophobicContact CB-CE2 3.91Å; L364-Y456 HydrophobicContact CD1-CD2 4.05Å; L364-Y456 HydrophobicContact CD1-CE2 4.3Å; L364-Y456 HydrophobicContact CD1-CG 4.33Å; L364-Y456 HydrophobicContact CD2-CD1 3.76Å; L364-Y456 HydrophobicContact CD2-CD2 4.43Å; L364-Y456 HydrophobicContact CD2-CE1 4.02Å; L364-Y456 HydrophobicContact CD2-CG 3.98Å; L364-Y456 HydrophobicContact CG-CE1 4.48Å; L364-Y456 PolarHBondContact O-OH 2.94Å; D365-Y456 PolarHBondContact OD1-OH 2.73Å; E405-Y456 HydrophobicContact CG-CD1 4.5Å; K409-Y456 WeakPolarHBondContact CE-O 3.38Å; K409-Y456 PolarHBondContact NZ-O 3.16Å; K452-Y456 HydrophobicContact CD-CE2 4.41Å; K452-Y456 WeakPolarHBondContact O-CD2 3.39Å; Y453-Y456 CarbonylContact O-C 3.59Å; Y453-Y456 PolarHBondContact O-N 3.35Å; Y453-Y456 VanDerWaalsContact O-N 3.1Å; S454-Y456 PolarHBondContact O-N 2.98Å
457	D	81.2	Confident	82.9	Confident	85 Å²	85	99.7 Å²	99.7	46%	0.455	47%	0.467	S	S	.	.			trans	-78.3	129.9	176	-158.7	30.5	0	0	0	108.8	Y453	Y453-D457 HydrophobicContact CD1-CB 4.36Å; Y453-D457 HydrophobicContact CE1-CB 3.98Å; Y453-D457 PolarHBondContact O-N 2.96Å; Y453-D457 PolarHBondContact OH-OD1 3.2Å
458	N	77.4	Confident	82.5	Confident	78 Å²	78	93 Å²	93	42%	0.417	44%	0.443	S	S	.	.			trans	-126.5	112.6	178.2	-177.9	-0.8	0	0	0	108	E460 E461	N458-E460 PolarHBondContact O-N 3.32Å; N458-E460 PolarHBondContact OD1-N 3.16Å; N458-E461 HydrophobicContact CB-CB 3.93Å; N458-E461 PolarHBondContact O-N 3.45Å
459	E	65.8	Low	82.2	Confident	199 Å²	199	87.2 Å²	87.2	93%	0.93	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	-176.9	-64.2	-171	167.6	0	0	113.1
460	E	63.7	Low	81.9	Confident	186 Å²	186	92.3 Å²	92.3	87%	0.869	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.2	179	-59.6	-173.2	175.4	0	0	113.6	N458	N458-E460 PolarHBondContact O-N 3.32Å; N458-E460 PolarHBondContact OD1-N 3.16Å
461	E	70.8	Confident	81.8	Confident	91 Å²	91	90.6 Å²	90.6	43%	0.425	44%	0.442	S	S	.	.	S	Bend	trans	-89.6	127.4	-178.1	-165	180	154.2	0	0	110.5	K409 N458 V463	K409-E461 IonicContact NZ-OE1 2.81Å; K409-E461 PolarHBondContact NZ-OE1 2.93Å; K409-E461 IonicContact NZ-OE2 3.91Å; K409-E461 PolarHBondContact NZ-OE2 3.16Å; N458-E461 HydrophobicContact CB-CB 3.93Å; N458-E461 PolarHBondContact O-N 3.45Å; E461-V463 PolarHBondContact O-N 3.25Å
462	F	67.8	Low	81.8	Confident	191 Å²	191	90.1 Å²	90.1	84%	0.838	44%	0.439	S	S	*	.			trans	-63.7	125.3	176.7	-163.4	-93.6	0	0	0	109.4	D464	F462-D464 PolarHBondContact O-N 3.01Å
463	V	64.6	Low	81.8	Confident	58 Å²	58	90.7 Å²	90.7	35%	0.352	45%	0.446	S	S	.	.			trans	-62.6	104.6	-178.5	-178.5	0	0	0	0	109.5	E461 Y465	E461-V463 PolarHBondContact O-N 3.25Å; V463-Y465 HydrophobicContact CB-CD2 4.41Å; V463-Y465 HydrophobicContact CB-CE2 3.98Å; V463-Y465 HydrophobicContact CG1-CD2 4.05Å; V463-Y465 HydrophobicContact CG1-CE1 4.35Å; V463-Y465 HydrophobicContact CG1-CE2 3.77Å; V463-Y465 HydrophobicContact CG1-CG 4.45Å; V463-Y465 VanDerWaalsContact O-CD2 3.25Å; V463-Y465 WeakPolarHBondContact O-CD2 3.29Å; V463-Y465 PolarHBondContact O-N 3.28Å
464	D	67.9	Low	81.8	Confident	68 Å²	68	92.3 Å²	92.3	36%	0.364	45%	0.454	S	S	.	.			trans	-73.6	112.8	171.3	-165.6	-7.9	0	0	0	108.6	R406 R413 F462 I466	R406-D464 VanDerWaalsContact CD-OD2 3.29Å; R406-D464 WeakPolarHBondContact CD-OD2 3.38Å; R406-D464 IonicContact NE-OD2 2.85Å; R406-D464 PolarHBondContact NE-OD2 3.2Å; R413-D464 VanDerWaalsContact CZ-O 3.29Å; R413-D464 PolarHBondContact NH1-O 2.94Å; R413-D464 PolarHBondContact NH2-O 3.49Å; F462-D464 PolarHBondContact O-N 3.01Å; D464-I466 PolarHBondContact O-N 3.09Å; D464-I466 VanDerWaalsContact O-N 3.13Å; D464-I466 WeakPolarHBondContact OD1-CG1 3.17Å; D464-I466 VanDerWaalsContact OD2-CD1 3.27Å; D464-I466 WeakPolarHBondContact OD2-CD1 3.43Å
465	Y	69.6	Low	81.9	Confident	198 Å²	198	90.5 Å²	90.5	78%	0.776	44%	0.44	S	S	*	.			trans	-85.8	41.5	-175.1	-81.7	-86.4	0	0	0	112.6	V463 E467	V463-Y465 HydrophobicContact CB-CD2 4.41Å; V463-Y465 HydrophobicContact CB-CE2 3.98Å; V463-Y465 HydrophobicContact CG1-CD2 4.05Å; V463-Y465 HydrophobicContact CG1-CE1 4.35Å; V463-Y465 HydrophobicContact CG1-CE2 3.77Å; V463-Y465 HydrophobicContact CG1-CG 4.45Å; V463-Y465 VanDerWaalsContact O-CD2 3.25Å; V463-Y465 WeakPolarHBondContact O-CD2 3.29Å; V463-Y465 PolarHBondContact O-N 3.28Å; Y465-E467 PolarHBondContact O-N 2.99Å
466	I	82.6	Confident	81.9	Confident	56 Å²	56	89.4 Å²	89.4	29%	0.287	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-69	129.7	172	-71	161.9	0	0	0	109.9	R406 A410 R413 D464	R406-I466 HydrophobicContact CG-CD1 3.73Å; A410-I466 HydrophobicContact CB-CG2 4.41Å; A410-I466 WeakPolarHBondContact CB-O 3.33Å; R413-I466 PolarHBondContact NH2-O 3.27Å; D464-I466 PolarHBondContact O-N 3.09Å; D464-I466 VanDerWaalsContact O-N 3.13Å; D464-I466 WeakPolarHBondContact OD1-CG1 3.17Å; D464-I466 VanDerWaalsContact OD2-CD1 3.27Å; D464-I466 WeakPolarHBondContact OD2-CD1 3.43Å
467	E	84.4	Confident	82.2	Confident	166 Å²	166	92.3 Å²	92.3	78%	0.776	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-76.3	130.6	170	-171.6	168.8	-165.5	0	0	109.6	Y465	Y465-E467 PolarHBondContact O-N 2.99Å
468	A	89.3	Confident	82.8	Confident	6 Å²	6	95 Å²	95	5%	0.05	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-67.6	130.7	178.2	0	0	0	0	0	111.1	A410 H411 R414	A410-A468 HydrophobicContact CB-CB 4Å; H411-A468 WeakPolarHBondContact ND1-CB 3.41Å; R414-A468 HydrophobicContact CB-CB 4.05Å; R414-A468 PolarHBondContact NH1-O 3.01Å
469	P	89.3	Confident	83.7	Confident	23 Å²	23	91.5 Å²	91.5	15%	0.149	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-58.2	158.2	173.8	-22.7	32.8	0	0	0	113	Y385 P389 H411 R414	Y385-P469 HydrophobicContact CD1-CB 3.66Å; Y385-P469 HydrophobicContact CD1-CG 4.31Å; Y385-P469 HydrophobicContact CE1-CB 3.88Å; Y385-P469 HydrophobicContact CE1-CG 4.22Å; P389-P469 HydrophobicContact CG-CG 3.91Å; H411-P469 PolarHBondContact CE1-O 2.81Å; H411-P469 VanDerWaalsContact CE1-O 3.31Å; R414-P469 PolarHBondContact NH1-O 3.47Å
470	D	91.5	Very high	85	Confident	107 Å²	107	87.9 Å²	87.9	57%	0.572	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-69.7	143	171.2	-74.4	-23.4	0	0	0	111.3	R414	R414-D470 IonicContact CZ-OD1 2.86Å; R414-D470 IonicContact NH1-OD1 3.8Å; R414-D470 PolarHBondContact NH1-OD1 3Å; R414-D470 IonicContact NH2-OD1 2.7Å; R414-D470 PolarHBondContact NH2-OD1 3.31Å
471	I	95.7	Very high	86.5	Confident	21 Å²	21	83.6 Å²	83.6	11%	0.108	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-90.7	122.3	176.4	-60.9	174.4	0	0	0	108.4	A314 A355 H356 L359 V384 S473	A314-I471 HydrophobicContact CB-CB 4.33Å; A314-I471 HydrophobicContact CB-CG2 3.9Å; A355-I471 VanDerWaalsContact C-CD1 3.46Å; A355-I471 HydrophobicContact CB-CD1 3.85Å; A355-I471 WeakPolarHBondContact O-CD1 3.46Å; H356-I471 HydrophobicContact CB-CD1 4.45Å; H356-I471 VanDerWaalsContact ND1-CD1 3.31Å; H356-I471 WeakPolarHBondContact ND1-CD1 3.46Å; L359-I471 HydrophobicContact CB-CD1 4.03Å; L359-I471 HydrophobicContact CD2-CD1 3.53Å; L359-I471 HydrophobicContact CD2-CG1 3.57Å; L359-I471 HydrophobicContact CG-CD1 4.49Å; V384-I471 HydrophobicContact CG1-CG1 4.49Å; V384-I471 HydrophobicContact CG1-CG2 4.09Å; I471-S473 PolarHBondContact O-N 3.22Å
472	I	95.4	Very high	87.6	Confident	49 Å²	49	82.5 Å²	82.5	25%	0.251	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-63.6	124.4	170.1	-61.6	175.7	0	0	0	108.6	V384 D386	V384-I472 PolarHBondContact O-N 2.8Å; D386-I472 HydrophobicContact CB-CD1 4.34Å; D386-I472 WeakPolarHBondContact OD1-CD1 3.29Å
473	S	95.4	Very high	88.5	Confident	36 Å²	36	78.2 Å²	78.2	25%	0.252	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.9	132	172.4	59.9	0	0	0	0	111.3	E318 I471	E318-S473 VanDerWaalsContact OE2-CB 3.28Å; E318-S473 WeakPolarHBondContact OE2-CB 3.14Å; E318-S473 PolarHBondContact OE2-OG 3.49Å; I471-S473 PolarHBondContact O-N 3.22Å
474	K	95	Very high	89.2	Confident	86 Å²	86	75.8 Å²	75.8	37%	0.374	37%	0.369	S	S	.	.			trans	-146.2	139.9	174.7	-173.4	-175.8	175.5	-170.4	0	108.7	Q311 E312	Q311-K474 CarbonylContact C-O 3.5Å; Q311-K474 HydrophobicContact CB-CB 3.87Å; Q311-K474 HydrophobicContact CG-CB 4.25Å; Q311-K474 PolarHBondContact O-N 3.43Å; Q311-K474 VanDerWaalsContact O-O 3.09Å; E312-K474 PolarHBondContact N-O 3.43Å
475	T	94.9	Very high	89.2	Confident	31 Å²	31	76.9 Å²	76.9	19%	0.19	39%	0.388	C	S	.	.			trans	-135.2	140	176.8	-174.9	0	0	0	0	110.4	Q287 E312 K315 H477 K478	Q287-T475 PolarHBondContact NE2-OG1 3.49Å; Q287-T475 VanDerWaalsContact NE2-OG1 3.08Å; E312-T475 VanDerWaalsContact CD-OG1 3.31Å; E312-T475 WeakPolarHBondContact OE1-CA 3.16Å; E312-T475 PolarHBondContact OE1-OG1 3.32Å; E312-T475 WeakPolarHBondContact OE2-CA 3.13Å; E312-T475 WeakPolarHBondContact OE2-CB 3.42Å; E312-T475 PolarHBondContact OE2-OG1 2.89Å; K315-T475 HydrophobicContact CG-CG2 3.96Å; T475-H477 VanDerWaalsContact C-N 3.33Å; T475-H477 PolarHBondContact OG1-N 2.89Å; T475-H477 PolarHBondContact OG1-O 2.95Å; T475-K478 HydrophobicContact CG2-CB 4.34Å
476	D	91.3	Very high	88.6	Confident	91 Å²	91	68.7 Å²	68.7	49%	0.487	36%	0.36	S	S	.	.	S	Bend	trans	-77.2	-26	173.1	-70.9	-17.1	0	0	0	111.4	K308 E312	K308-D476 WeakPolarHBondContact CE-OD2 3.48Å; K308-D476 IonicContact NZ-OD2 3.56Å; K308-D476 PolarHBondContact NZ-OD2 3.07Å; E312-D476 PolarHBondContact OE1-N 2.93Å
477	H	92.8	Very high	87.5	Confident	113 Å²	113	67.4 Å²	67.4	52%	0.523	36%	0.356	S	S	.	.	S	Bend	trans	-131.1	106.4	-177.3	-59.2	87.4	0	0	0	109.7	Q287 L290 T475	Q287-H477 PolarHBondContact NE2-O 3.46Å; Q287-H477 PolarHBondContact OE1-O 2.96Å; L290-H477 HydrophobicContact CD1-CB 4.44Å; L290-H477 WeakPolarHBondContact CD1-O 3.25Å; L290-H477 HydrophobicContact CD2-CB 4.2Å; T475-H477 VanDerWaalsContact C-N 3.33Å; T475-H477 PolarHBondContact OG1-N 2.89Å; T475-H477 PolarHBondContact OG1-O 2.95Å
478	K	94.4	Very high	86.6	Confident	141 Å²	141	68.5 Å²	68.5	61%	0.613	36%	0.358	S	S	*	.			trans	-84.2	128.9	176.5	-172.5	-178.7	177.5	-171.8	0	110.4	T475 E480	T475-K478 HydrophobicContact CG2-CB 4.34Å; K478-E480 HydrophobicContact CG-CG 4.44Å; K478-E480 PolarHBondContact O-N 3.16Å
479	A	95.1	Very high	86.3	Confident	4 Å²	4	70.5 Å²	70.5	3%	0.033	37%	0.369	C	S	.	.			trans	-67.1	123.7	168.9	0	0	0	0	0	110.9	I283 A286 Q287 L290	I283-A479 HydrophobicContact CG2-CB 4.17Å; A286-A479 HydrophobicContact CB-CB 3.66Å; Q287-A479 HydrophobicContact CB-CB 4.32Å; L290-A479 HydrophobicContact CD1-CB 3.96Å
480	E	94.3	Very high	86	Confident	123 Å²	123	79.3 Å²	79.3	58%	0.575	41%	0.405	S	S	*	.			trans	-123.8	154.1	176.9	-61.3	-168.9	160.5	0	0	111.8	Q249 K478	Q249-E480 VanDerWaalsContact CB-O 3.28Å; Q249-E480 WeakPolarHBondContact CB-O 3.48Å; Q249-E480 WeakPolarHBondContact CG-O 3.36Å; Q249-E480 PolarHBondContact NE2-O 3.15Å; K478-E480 HydrophobicContact CG-CG 4.44Å; K478-E480 PolarHBondContact O-N 3.16Å
481	M	95	Very high	86	Confident	96 Å²	96	76 Å²	76	47%	0.473	39%	0.388	S	S	.	.			trans	-70.3	135.3	178.2	62.7	-174.8	73.6	0	0	111.3	A252 S256 I279 I283	A252-M481 HydrophobicContact CB-CB 3.96Å; S256-M481 PolarHBondContact OG-SD 3.26Å; S256-M481 VanDerWaalsContact OG-SD 3.38Å; I279-M481 HydrophobicContact CG2-CE 4.07Å; I283-M481 HydrophobicContact CD1-CB 4.47Å
482	E	93.5	Very high	85.9	Confident	69 Å²	69	79.6 Å²	79.6	32%	0.322	41%	0.412	S	S	.	.			trans	-116.1	127.7	178.6	-175.8	-167.6	142.1	0	0	108.8	Q249 R250 G253 P484	Q249-E482 HydrophobicContact CB-CB 4.12Å; Q249-E482 PolarHBondContact O-N 3.47Å; R250-E482 WeakPolarHBondContact CA-O 3.38Å; R250-E482 HydrophobicContact CG-CB 4.3Å; R250-E482 HydrophobicContact CG-CG 4.37Å; R250-E482 IonicContact CZ-OE1 3.78Å; R250-E482 IonicContact NE-OE1 3.87Å; R250-E482 PolarHBondContact NE-OE1 3.47Å; R250-E482 IonicContact NE-OE2 2.7Å; R250-E482 IonicContact NH2-OE1 3.84Å; R250-E482 PolarHBondContact NH2-OE1 2.56Å; G253-E482 WeakPolarHBondContact CA-O 3.3Å; E482-P484 WeakPolarHBondContact O-CD 3.44Å
483	L	87.3	Confident	85.8	Confident	101 Å²	101	78.3 Å²	78.3	53%	0.529	41%	0.405	S	S	.	.			trans	-84.7	118.7	171.8	-168.4	72.5	0	0	0	109.6	M254 H257 A485	M254-L483 HydrophobicContact SD-CD1 4.24Å; H257-L483 HydrophobicContact CB-CD1 3.84Å; L483-A485 PolarHBondContact O-N 3.26Å
484	P	78.1	Confident	85.8	Confident	6 Å²	6	78.2 Å²	78.2	4%	0.039	40%	0.4	C	S	.	.			trans	-62	136.1	-178.9	-19.6	30	0	0	0	112.7	Y226 R250 M254 E482 A486 T487	Y226-P484 HydrophobicContact CD2-CG 4.37Å; Y226-P484 HydrophobicContact CE2-CB 4.13Å; Y226-P484 HydrophobicContact CE2-CG 3.55Å; R250-P484 HydrophobicContact CB-CG 3.87Å; R250-P484 HydrophobicContact CG-CG 3.91Å; M254-P484 HydrophobicContact CG-CG 3.79Å; M254-P484 WeakPolarHBondContact SD-CD 3.37Å; M254-P484 HydrophobicContact SD-CG 3.73Å; E482-P484 WeakPolarHBondContact O-CD 3.44Å; P484-A486 HydrophobicContact CB-CB 4.32Å; P484-A486 PolarHBondContact O-N 2.98Å; P484-T487 PolarHBondContact O-N 3.27Å; P484-T487 VanDerWaalsContact O-N 3.16Å; P484-T487 PolarHBondContact O-OG1 3.07Å
485	A	67.4	Low	85.9	Confident	92 Å²	92	74.1 Å²	74.1	76%	0.76	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-58.5	-27.4	170.8	0	0	0	0	0	112.4	L483 T487 K488	L483-A485 PolarHBondContact O-N 3.26Å; A485-T487 PolarHBondContact O-N 3.06Å; A485-K488 PolarHBondContact O-N 3.15Å
486	A	57.4	Low	85.9	Confident	25 Å²	25	77 Å²	77	21%	0.207	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-57.2	-13.9	175.9	0	0	0	0	0	114.1	A171 P484 K488 V489	A171-A486 WeakPolarHBondContact CB-O 3.45Å; P484-A486 HydrophobicContact CB-CB 4.32Å; P484-A486 PolarHBondContact O-N 2.98Å; A486-K488 PolarHBondContact O-N 3.3Å; A486-V489 WeakPolarHBondContact O-CG2 3.24Å
487	T	60.9	Low	86	Confident	30 Å²	30	77.9 Å²	77.9	18%	0.184	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-65.7	-15.2	172.1	-39.4	0	0	0	0	112.7	Y174 P484 A485	Y174-T487 HydrophobicContact CE1-CG2 4.5Å; P484-T487 PolarHBondContact O-N 3.27Å; P484-T487 VanDerWaalsContact O-N 3.16Å; P484-T487 PolarHBondContact O-OG1 3.07Å; A485-T487 PolarHBondContact O-N 3.06Å
488	K	65	Low	86.1	Confident	189 Å²	189	72.5 Å²	72.5	82%	0.822	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-111.5	42.4	-178.5	-63.4	-177.3	-178.9	176.5	0	113.2	A485 A486 K490	A485-K488 PolarHBondContact O-N 3.15Å; A486-K488 PolarHBondContact O-N 3.3Å; K488-K490 PolarHBondContact O-N 3.5Å; K488-K490 VanDerWaalsContact O-N 3.16Å
489	V	81.8	Confident	86	Confident	48 Å²	48	65.8 Å²	65.8	29%	0.291	34%	0.336	S	S	.	.			trans	-64.3	117.2	169.7	177.1	0	0	0	0	108.5	A171 S175 A486 V491	A171-V489 HydrophobicContact CB-CG2 3.95Å; S175-V489 WeakPolarHBondContact CB-O 3.36Å; S175-V489 PolarHBondContact OG-O 2.97Å; A486-V489 WeakPolarHBondContact O-CG2 3.24Å; V489-V491 HydrophobicContact CG1-CG1 3.96Å
490	K	84.6	Confident	85.9	Confident	208 Å²	208	65.9 Å²	65.9	90%	0.904	34%	0.337	S	S	*	.			trans	-70.4	127.9	170.3	-70.6	-174.7	179.6	-179.1	0	108.6	K488	K488-K490 PolarHBondContact O-N 3.5Å; K488-K490 VanDerWaalsContact O-N 3.16Å
491	V	91.3	Very high	85.7	Confident	36 Å²	36	62.2 Å²	62.2	22%	0.218	32%	0.321	C	S	.	.			trans	-125.7	145.5	177.6	-60.6	0	0	0	0	110	K172 L179 V489	K172-V491 HydrophobicContact CG-CG1 3.95Å; L179-V491 HydrophobicContact CD1-CG2 3.88Å; V489-V491 HydrophobicContact CG1-CG1 3.96Å
492	T	92.3	Very high	85.4	Confident	98 Å²	98	61.6 Å²	61.6	60%	0.601	33%	0.326	S	S	*	.			trans	-82.8	138.3	170.8	-51.9	0	0	0	0	108.8	H176 F494	H176-T492 PolarHBondContact CE1-O 3.43Å; T492-F494 PolarHBondContact O-N 3.2Å
493	D	94.4	Very high	85.2	Confident	21 Å²	21	58.7 Å²	58.7	11%	0.112	31%	0.313	C	S	.	.			trans	-70.7	118.9	177.9	-169.4	-21.2	0	0	0	111.2	L179 R183 F495 Q496	L179-D493 HydrophobicContact CD1-CB 3.95Å; R183-D493 IonicContact CZ-OD1 3.39Å; R183-D493 IonicContact CZ-OD2 3.81Å; R183-D493 IonicContact NE-OD1 2.83Å; R183-D493 PolarHBondContact NE-OD1 2.76Å; R183-D493 IonicContact NE-OD2 3.42Å; R183-D493 PolarHBondContact NE-OD2 2.7Å; R183-D493 IonicContact NH2-OD1 2.76Å; R183-D493 IonicContact NH2-OD2 2.71Å; R183-D493 PolarHBondContact NH2-OD2 2.99Å; D493-F495 PolarHBondContact O-N 3.28Å; D493-F495 PolarHBondContact OD1-N 3.4Å; D493-Q496 HydrophobicContact CB-CB 4.22Å; D493-Q496 WeakPolarHBondContact O-CB 3.34Å; D493-Q496 WeakPolarHBondContact O-CG 3.39Å; D493-Q496 PolarHBondContact O-N 3.47Å; D493-Q496 VanDerWaalsContact O-N 3.16Å
494	F	95.3	Very high	85.5	Confident	34 Å²	34	54.5 Å²	54.5	15%	0.149	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.9	177.3	-70.5	-52.3	0	0	0	111.7	F20 E146 D149 L150 L153 H176 T492 Q496	F20-F494 AromaticContact CE1-CE1 3.89Å; F20-F494 HydrophobicContact CE1-CE1 3.89Å; F20-F494 AromaticContact CE1-CZ 3.64Å; F20-F494 HydrophobicContact CE1-CZ 3.64Å; F20-F494 AromaticContact CZ-CE1 3.51Å; F20-F494 HydrophobicContact CZ-CE1 3.51Å; F20-F494 AromaticContact CZ-CZ 3.64Å; F20-F494 HydrophobicContact CZ-CZ 3.64Å; E146-F494 HydrophobicContact CB-CB 4.34Å; E146-F494 WeakPolarHBondContact CG-O 3.16Å; D149-F494 HydrophobicContact CB-CD1 4.37Å; D149-F494 HydrophobicContact CB-CE1 4.17Å; L150-F494 HydrophobicContact CB-CD2 4.24Å; L150-F494 HydrophobicContact CB-CE2 4.4Å; L150-F494 HydrophobicContact CD1-CE2 4.41Å; L153-F494 HydrophobicContact CD2-CE2 4.1Å; L153-F494 HydrophobicContact CD2-CZ 4.23Å; H176-F494 AromaticContact CE1-CD2 3.74Å; H176-F494 AromaticContact CE1-CE2 3.34Å; H176-F494 WeakPolarHBondContact CE1-CE2 3.22Å; H176-F494 AromaticContact CE1-CZ 3.56Å; H176-F494 AromaticContact ND1-CD2 3.74Å; H176-F494 AromaticContact ND1-CE2 3.62Å; H176-F494 AromaticContact NE2-CE2 3.64Å; H176-F494 AromaticContact NE2-CZ 3.66Å; T492-F494 PolarHBondContact O-N 3.2Å; F494-Q496 VanDerWaalsContact C-N 3.34Å; F494-Q496 PolarHBondContact O-N 3.08Å
495	F	96.7	Very high	86.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	26.3	-173.3	-57	-85.4	0	0	0	111.9	F128 F143 E146 I147 L150 R183 F184 D493 R497 L498	F128-F495 AromaticContact CD2-CZ 3.97Å; F128-F495 HydrophobicContact CD2-CZ 3.97Å; F128-F495 HydrophobicContact CE2-CE2 4.44Å; F128-F495 HydrophobicContact CE2-CZ 4.31Å; F143-F495 HydrophobicContact CD1-CD1 4.03Å; E146-F495 HydrophobicContact CB-CD1 4.2Å; E146-F495 HydrophobicContact CB-CE1 3.91Å; E146-F495 HydrophobicContact CB-CZ 4.35Å; I147-F495 HydrophobicContact CG1-CE1 3.74Å; I147-F495 HydrophobicContact CG1-CZ 3.89Å; L150-F495 HydrophobicContact CD2-CE2 4.23Å; R183-F495 VanDerWaalsContact CD-CB 3.4Å; R183-F495 PolarHBondContact NH1-O 3.17Å; R183-F495 PolarHBondContact NH2-O 2.65Å; F184-F495 HydrophobicContact CE2-CD1 4.2Å; F184-F495 AromaticContact CE2-CD2 3.58Å; F184-F495 HydrophobicContact CE2-CD2 3.58Å; F184-F495 HydrophobicContact CE2-CE1 4.26Å; F184-F495 AromaticContact CE2-CE2 3.65Å; F184-F495 HydrophobicContact CE2-CE2 3.65Å; F184-F495 AromaticContact CE2-CG 3.87Å; F184-F495 HydrophobicContact CE2-CG 3.87Å; F184-F495 HydrophobicContact CE2-CZ 4Å; F184-F495 HydrophobicContact CZ-CB 4.42Å; F184-F495 AromaticContact CZ-CD1 3.69Å; F184-F495 HydrophobicContact CZ-CD1 3.69Å; F184-F495 AromaticContact CZ-CD2 3.95Å; F184-F495 HydrophobicContact CZ-CD2 3.95Å; F184-F495 AromaticContact CZ-CE1 3.83Å; F184-F495 HydrophobicContact CZ-CE1 3.83Å; F184-F495 HydrophobicContact CZ-CE2 4.08Å; F184-F495 AromaticContact CZ-CG 3.75Å; F184-F495 HydrophobicContact CZ-CG 3.75Å; F184-F495 HydrophobicContact CZ-CZ 4.03Å; D493-F495 PolarHBondContact O-N 3.28Å; D493-F495 PolarHBondContact OD1-N 3.4Å; F495-R497 PolarHBondContact O-N 2.7Å; F495-R497 VanDerWaalsContact O-N 3.08Å; F495-L498 HydrophobicContact CB-CD1 3.87Å; F495-L498 HydrophobicContact CB-CG 4.34Å; F495-L498 WeakPolarHBondContact O-CB 3.48Å; F495-L498 PolarHBondContact O-N 3.04Å
496	Q	94.5	Very high	87.3	Confident	91 Å²	91	50.1 Å²	50.1	43%	0.425	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-54.4	-27.7	177.4	64	180	3.5	0	0	113.3	D493 F494 L498 G499 W567	D493-Q496 HydrophobicContact CB-CB 4.22Å; D493-Q496 WeakPolarHBondContact O-CB 3.34Å; D493-Q496 WeakPolarHBondContact O-CG 3.39Å; D493-Q496 PolarHBondContact O-N 3.47Å; D493-Q496 VanDerWaalsContact O-N 3.16Å; F494-Q496 VanDerWaalsContact C-N 3.34Å; F494-Q496 PolarHBondContact O-N 3.08Å; Q496-L498 PolarHBondContact O-N 3.45Å; Q496-G499 PolarHBondContact O-N 3.36Å; Q496-W567 HydrophobicContact CB-CZ2 4.09Å; Q496-W567 WeakPolarHBondContact O-CZ2 3.39Å; Q496-W567 PolarHBondContact O-NE1 2.85Å
497	R	93.9	Very high	88.8	Confident	111 Å²	111	55 Å²	55	42%	0.419	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24.9	175.6	-73.1	170.3	57.6	-155.2	-5.5	113.6	T142 F143 E146 F495 G499 K566	T142-R497 PolarHBondContact O-NH1 3.27Å; F143-R497 HydrophobicContact CE1-CB 3.82Å; F143-R497 HydrophobicContact CZ-CB 4.2Å; E146-R497 WeakPolarHBondContact OE1-CD 3.32Å; E146-R497 IonicContact OE1-CZ 2.98Å; E146-R497 IonicContact OE1-NH1 2.77Å; E146-R497 PolarHBondContact OE1-NH1 3.45Å; E146-R497 IonicContact OE2-NH1 2.69Å; F495-R497 PolarHBondContact O-N 2.7Å; F495-R497 VanDerWaalsContact O-N 3.08Å; R497-G499 PolarHBondContact O-N 3.01Å; R497-K566 PolarHBondContact O-NZ 2.7Å
498	L	94.5	Very high	90.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-70.1	-9.5	173.1	-63.5	175.3	0	0	0	113	I132 Y136 F143 F184 F495 Q496 F504	I132-L498 HydrophobicContact CG1-CD1 4.39Å; I132-L498 HydrophobicContact CG1-CD2 4.48Å; I132-L498 HydrophobicContact CG2-CD2 4.14Å; Y136-L498 HydrophobicContact CD1-CB 4.05Å; Y136-L498 HydrophobicContact CD1-CD1 4.34Å; Y136-L498 HydrophobicContact CD1-CD2 4.14Å; Y136-L498 HydrophobicContact CD1-CG 4.42Å; Y136-L498 HydrophobicContact CD2-CD1 4.11Å; Y136-L498 HydrophobicContact CD2-CD2 4.32Å; Y136-L498 HydrophobicContact CE1-CB 4.05Å; Y136-L498 HydrophobicContact CE1-CD1 4.17Å; Y136-L498 HydrophobicContact CE2-CD1 3.88Å; Y136-L498 HydrophobicContact CG-CD1 4.31Å; Y136-L498 HydrophobicContact CG-CD2 3.91Å; F143-L498 HydrophobicContact CE1-CD2 3.85Å; F143-L498 HydrophobicContact CE1-CG 3.87Å; F143-L498 HydrophobicContact CE2-CD2 3.91Å; F143-L498 HydrophobicContact CZ-CD2 3.39Å; F143-L498 HydrophobicContact CZ-CG 3.92Å; F184-L498 HydrophobicContact CE1-CD1 4.45Å; F184-L498 HydrophobicContact CZ-CD1 4.21Å; F495-L498 HydrophobicContact CB-CD1 3.87Å; F495-L498 HydrophobicContact CB-CG 4.34Å; F495-L498 WeakPolarHBondContact O-CB 3.48Å; F495-L498 PolarHBondContact O-N 3.04Å; Q496-L498 PolarHBondContact O-N 3.45Å; L498-F504 VanDerWaalsContact O-CB 3.24Å; L498-F504 WeakPolarHBondContact O-CB 3.46Å; L498-F504 VanDerWaalsContact O-CG 3.31Å; L498-F504 WeakPolarHBondContact O-CG 3.4Å
499	G	93.1	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.			trans	107.5	176.5	177.4	0	0	0	0	0	114.4	R183 Q496 R497 W567	R183-G499 PolarHBondContact NH1-O 3.16Å; R183-G499 PolarHBondContact NH2-O 3.02Å; Q496-G499 PolarHBondContact O-N 3.36Å; R497-G499 PolarHBondContact O-N 3.01Å; G499-W567 VanDerWaalsContact C-CZ2 3.41Å; G499-W567 WeakPolarHBondContact O-CZ2 3.45Å
500	P	92.5	Very high	91.6	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.039	25%	0.247	C	C	.	.			trans	-61.3	132.5	179.7	-24	32.6	0	0	0	113.5	S502 V503 F504 A533 K566 W567	P500-S502 PolarHBondContact O-N 2.86Å; P500-S502 VanDerWaalsContact O-N 3.15Å; P500-V503 CarbonylContact O-C 3.55Å; P500-V503 PolarHBondContact O-N 3.49Å; P500-V503 VanDerWaalsContact O-N 3.08Å; P500-F504 PolarHBondContact O-N 2.65Å; P500-A533 HydrophobicContact CG-CB 3.97Å; P500-K566 VanDerWaalsContact CD-O 3.31Å; P500-K566 WeakPolarHBondContact CD-O 3.42Å; P500-K566 WeakPolarHBondContact CG-O 3.44Å; P500-W567 HydrophobicContact CB-CE3 4.4Å; P500-W567 HydrophobicContact CB-CH2 4.06Å; P500-W567 HydrophobicContact CB-CZ2 4.42Å; P500-W567 HydrophobicContact CB-CZ3 4.03Å; P500-W567 HydrophobicContact CG-CD2 3.79Å; P500-W567 HydrophobicContact CG-CE3 3.68Å; P500-W567 HydrophobicContact CG-CG 4.46Å; P500-W567 HydrophobicContact CG-CH2 4.08Å; P500-W567 HydrophobicContact CG-CZ2 4.17Å; P500-W567 HydrophobicContact CG-CZ3 3.82Å
501	L	91.2	Very high	91.9	Very high	46 Å²	46	42.7 Å²	42.7	24%	0.241	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.7	-179.4	-74.2	175.5	0	0	0	114.9	L179 N182 R183 V503	L179-L501 HydrophobicContact CD2-CD1 3.52Å; N182-L501 HydrophobicContact CB-CD2 4.19Å; R183-L501 HydrophobicContact CG-CD2 3.52Å; L501-V503 PolarHBondContact O-N 3.33Å
502	S	88.7	Confident	91.8	Very high	83 Å²	83	43.6 Å²	43.6	58%	0.58	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.5	174.2	48.8	0	0	0	0	112.2	P500 Q508	P500-S502 PolarHBondContact O-N 2.86Å; P500-S502 VanDerWaalsContact O-N 3.15Å; S502-Q508 PolarHBondContact O-NE2 2.98Å
503	V	89.1	Confident	91.8	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.048	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-73.5	175.8	-177.1	0	0	0	0	107.5	P500 L501 S505 Q508 W510 P534 Y556	P500-V503 CarbonylContact O-C 3.55Å; P500-V503 PolarHBondContact O-N 3.49Å; P500-V503 VanDerWaalsContact O-N 3.08Å; L501-V503 PolarHBondContact O-N 3.33Å; V503-S505 PolarHBondContact O-N 3.01Å; V503-Q508 PolarHBondContact O-OE1 3.27Å; V503-W510 VanDerWaalsContact C-CH2 3.47Å; V503-W510 VanDerWaalsContact C-CZ2 3.49Å; V503-W510 HydrophobicContact CB-CH2 4.45Å; V503-W510 HydrophobicContact CG1-CE3 4.44Å; V503-W510 HydrophobicContact CG1-CH2 3.7Å; V503-W510 HydrophobicContact CG1-CZ2 4.33Å; V503-W510 HydrophobicContact CG1-CZ3 3.81Å; V503-W510 WeakPolarHBondContact O-CH2 3.49Å; V503-W510 WeakPolarHBondContact O-CZ2 3.24Å; V503-P534 HydrophobicContact CB-CG 3.92Å; V503-P534 HydrophobicContact CG1-CG 4.1Å; V503-P534 HydrophobicContact CG2-CG 3.7Å; V503-Y556 HydrophobicContact CG1-CD2 3.98Å; V503-Y556 HydrophobicContact CG1-CE2 3.93Å; V503-Y556 HydrophobicContact CG1-CG 4.36Å; V503-Y556 HydrophobicContact CG2-CE1 3.96Å; V503-Y556 HydrophobicContact CG2-CE2 4.33Å
504	F	92.8	Very high	91.8	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.053	22%	0.219	C	C	.	.	S	Bend	trans	-72.6	79.8	-171.9	-54.6	-80.7	0	0	0	114.4	Y136 L498 P500 P534 V558 K566 V590	Y136-F504 HydrophobicContact CD1-CB 4.48Å; Y136-F504 HydrophobicContact CE1-CB 4.03Å; L498-F504 VanDerWaalsContact O-CB 3.24Å; L498-F504 WeakPolarHBondContact O-CB 3.46Å; L498-F504 VanDerWaalsContact O-CG 3.31Å; L498-F504 WeakPolarHBondContact O-CG 3.4Å; P500-F504 PolarHBondContact O-N 2.65Å; F504-P534 HydrophobicContact CE2-CB 4.11Å; F504-P534 HydrophobicContact CE2-CG 3.7Å; F504-P534 HydrophobicContact CZ-CG 4.25Å; F504-V558 HydrophobicContact CE1-CG1 4.07Å; F504-V558 HydrophobicContact CZ-CG1 3.56Å; F504-K566 HydrophobicContact CE2-CB 4.24Å; F504-K566 HydrophobicContact CE2-CD 4.43Å; F504-K566 HydrophobicContact CE2-CG 4.21Å; F504-K566 HydrophobicContact CZ-CG 4.35Å; F504-V590 HydrophobicContact CE1-CG2 4.14Å; F504-V590 HydrophobicContact CZ-CG2 4.39Å
505	S	93.1	Very high	91.8	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.042	24%	0.238	C	C	.	.	S	Bend	trans	-127.7	162.1	177.4	77.9	0	0	0	0	112.3	H135 N182 V503 K507 Q508	H135-S505 PolarHBondContact NE2-O 2.89Å; N182-S505 CarbonylContact O-C 3.27Å; N182-S505 WeakPolarHBondContact O-CA 3.32Å; N182-S505 WeakPolarHBondContact O-CB 3.4Å; V503-S505 PolarHBondContact O-N 3.01Å; S505-K507 PolarHBondContact O-N 3.23Å; S505-K507 PolarHBondContact OG-N 3.06Å; S505-Q508 PolarHBondContact O-N 3.06Å; S505-Q508 PolarHBondContact OG-OE1 2.97Å
506	A	91	Very high	91.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12	173.2	0	0	0	0	0	113.9	F131 N182 R183 S186	F131-A506 HydrophobicContact CE1-CB 4.32Å; F131-A506 HydrophobicContact CZ-CB 3.78Å; N182-A506 WeakPolarHBondContact O-CB 3.33Å; N182-A506 PolarHBondContact O-N 2.72Å; R183-A506 WeakPolarHBondContact O-CB 2.89Å; S186-A506 WeakPolarHBondContact CB-O 3.38Å; S186-A506 PolarHBondContact OG-O 2.63Å
507	K	88.4	Confident	91.4	Very high	128 Å²	128	46.9 Å²	46.9	56%	0.557	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-27.8	-179	-69.7	173.7	175.8	161.3	0	112.3	N182 S505	N182-K507 WeakPolarHBondContact OD1-CE 3.4Å; N182-K507 PolarHBondContact OD1-NZ 3.1Å; S505-K507 PolarHBondContact O-N 3.23Å; S505-K507 PolarHBondContact OG-N 3.06Å
508	Q	88.5	Confident	91	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.318	22%	0.215	S	C	.	.	S	Bend	trans	-108.8	157.6	-179.5	-69.8	148.2	-47	0	0	110	H135 S502 V503 S505 W510	H135-Q508 PolarHBondContact CE1-O 3.18Å; H135-Q508 PolarHBondContact NE2-O 3.34Å; S502-Q508 PolarHBondContact O-NE2 2.98Å; V503-Q508 PolarHBondContact O-OE1 3.27Å; S505-Q508 PolarHBondContact O-N 3.06Å; S505-Q508 PolarHBondContact OG-OE1 2.97Å; Q508-W510 HydrophobicContact CB-CE3 4.48Å; Q508-W510 HydrophobicContact CB-CH2 2.98Å; Q508-W510 HydrophobicContact CB-CZ2 3.18Å; Q508-W510 HydrophobicContact CB-CZ3 3.69Å; Q508-W510 VanDerWaalsContact CD-CH2 3.42Å; Q508-W510 HydrophobicContact CG-CH2 3.68Å; Q508-W510 HydrophobicContact CG-CZ2 4.26Å; Q508-W510 HydrophobicContact CG-CZ3 4.35Å
509	K	87.6	Confident	90.4	Very high	86 Å²	86	42.6 Å²	42.6	37%	0.374	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.1	177.1	-69.6	-170	-175.8	179	0	109.6	I593 N595	K509-I593 HydrophobicContact CB-CB 4.28Å; K509-I593 PolarHBondContact O-N 3.03Å; K509-N595 WeakPolarHBondContact CD-ND2 3.4Å; K509-N595 WeakPolarHBondContact CG-ND2 3.36Å
510	W	90.6	Very high	89.4	Confident	24 Å²	24	44.3 Å²	44.3	9%	0.091	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.3	-177.3	-22.2	98.8	0	0	0	110.2	H135 V503 Q508 V590 S591 V592 I593	H135-W510 AromaticContact NE2-NE1 3.95Å; V503-W510 VanDerWaalsContact C-CH2 3.47Å; V503-W510 VanDerWaalsContact C-CZ2 3.49Å; V503-W510 HydrophobicContact CB-CH2 4.45Å; V503-W510 HydrophobicContact CG1-CE3 4.44Å; V503-W510 HydrophobicContact CG1-CH2 3.7Å; V503-W510 HydrophobicContact CG1-CZ2 4.33Å; V503-W510 HydrophobicContact CG1-CZ3 3.81Å; V503-W510 WeakPolarHBondContact O-CH2 3.49Å; V503-W510 WeakPolarHBondContact O-CZ2 3.24Å; Q508-W510 HydrophobicContact CB-CE3 4.48Å; Q508-W510 HydrophobicContact CB-CH2 2.98Å; Q508-W510 HydrophobicContact CB-CZ2 3.18Å; Q508-W510 HydrophobicContact CB-CZ3 3.69Å; Q508-W510 VanDerWaalsContact CD-CH2 3.42Å; Q508-W510 HydrophobicContact CG-CH2 3.68Å; Q508-W510 HydrophobicContact CG-CZ2 4.26Å; Q508-W510 HydrophobicContact CG-CZ3 4.35Å; W510-V590 HydrophobicContact CB-CB 4.25Å; W510-S591 CarbonylContact C-O 3.51Å; W510-S591 WeakPolarHBondContact CA-O 2.99Å; W510-V592 HydrophobicContact CE3-CB 4.1Å; W510-V592 HydrophobicContact CE3-CG1 4.03Å; W510-V592 HydrophobicContact CE3-CG2 3.8Å; W510-V592 HydrophobicContact CZ3-CB 4.11Å; W510-V592 HydrophobicContact CZ3-CG1 3.77Å; W510-V592 HydrophobicContact CZ3-CG2 3.59Å; W510-I593 VanDerWaalsContact C-CD1 3.45Å; W510-I593 VanDerWaalsContact O-CD1 3.3Å; W510-I593 WeakPolarHBondContact O-CD1 3.38Å
511	T	91	Very high	88.2	Confident	37 Å²	37	47.9 Å²	47.9	23%	0.227	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67.6	157.4	165.4	61.4	0	0	0	0	110.4	R514 S591 I593	T511-R514 PolarHBondContact OG1-NH1 3.03Å; T511-S591 PolarHBondContact N-O 3.33Å; T511-S591 PolarHBondContact OG1-N 3.18Å; T511-S591 VanDerWaalsContact OG1-N 3.09Å; T511-I593 HydrophobicContact CG2-CD1 4.25Å; T511-I593 HydrophobicContact CG2-CG1 4.03Å
512	A	89.4	Confident	86.9	Confident	56 Å²	56	53.8 Å²	53.8	46%	0.463	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-54.9	146.7	163.8	0	0	0	0	0	110.1	R514	A512-R514 PolarHBondContact O-N 3.08Å
513	P	92.4	Very high	85.7	Confident	54 Å²	54	61.4 Å²	61.4	35%	0.351	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-53.6	127.7	177.7	-26.6	34.7	0	0	0	111.6	N137 V590	N137-P513 HydrophobicContact CB-CG 4.3Å; P513-V590 HydrophobicContact CB-CG1 4.38Å; P513-V590 HydrophobicContact CG-CG1 4.18Å
514	R	93.9	Very high	85.2	Confident	59 Å²	59	66.1 Å²	66.1	22%	0.223	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.8	174.6	-59.3	-169.3	-60.5	-97	2.3	108.9	T511 A512 I516 D555 Q588 V589 S591	T511-R514 PolarHBondContact OG1-NH1 3.03Å; A512-R514 PolarHBondContact O-N 3.08Å; R514-I516 HydrophobicContact CB-CD1 4.38Å; R514-D555 VanDerWaalsContact NH2-CG 3.33Å; R514-D555 IonicContact NH2-OD1 3.04Å; R514-D555 PolarHBondContact NH2-OD1 3.18Å; R514-D555 VanDerWaalsContact NH2-OD1 3.11Å; R514-D555 IonicContact NH2-OD2 3.79Å; R514-D555 PolarHBondContact NH2-OD2 3.39Å; R514-Q588 CarbonylContact O-C 3.59Å; R514-Q588 VanDerWaalsContact O-CA 3.32Å; R514-Q588 WeakPolarHBondContact O-CA 3.08Å; R514-V589 HydrophobicContact CB-CG2 4.17Å; R514-V589 PolarHBondContact N-O 2.92Å; R514-V589 PolarHBondContact O-N 2.8Å; R514-S591 VanDerWaalsContact CZ-OG 3.29Å; R514-S591 PolarHBondContact NH1-OG 2.8Å; R514-S591 PolarHBondContact NH2-OG 2.88Å
515	K	94.2	Very high	84.6	Confident	125 Å²	125	66.6 Å²	66.6	54%	0.543	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.2	173	-71.1	162.5	161.7	-91	0	108.4	E586 I587 Q588	K515-E586 HydrophobicContact CB-CG 4.05Å; K515-E586 VanDerWaalsContact CD-OE2 3.3Å; K515-E586 WeakPolarHBondContact CD-OE2 3.19Å; K515-E586 HydrophobicContact CG-CG 4.25Å; K515-E586 WeakPolarHBondContact CG-OE2 3.37Å; K515-E586 IonicContact NZ-OE1 3.11Å; K515-E586 PolarHBondContact NZ-OE1 2.88Å; K515-E586 IonicContact NZ-OE2 2.8Å; K515-E586 PolarHBondContact NZ-OE2 2.72Å; K515-I587 CarbonylContact C-O 3.57Å; K515-I587 WeakPolarHBondContact CA-O 3.12Å; K515-Q588 HydrophobicContact CG-CG 4.07Å
516	I	92.9	Very high	84.2	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.015	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.5	-178	-52.7	-64.2	0	0	0	107.4	R514 V518 D549 L551 I587 V589	R514-I516 HydrophobicContact CB-CD1 4.38Å; I516-V518 HydrophobicContact CG2-CG2 4.42Å; I516-D549 VanDerWaalsContact CA-OD2 3.32Å; I516-D549 WeakPolarHBondContact CA-OD2 3.31Å; I516-D549 WeakPolarHBondContact CD1-O 3.31Å; I516-D549 HydrophobicContact CG2-CB 4.14Å; I516-L551 HydrophobicContact CG2-CB 4.24Å; I516-I587 HydrophobicContact CB-CD1 4.44Å; I516-I587 HydrophobicContact CB-CG1 3.83Å; I516-I587 HydrophobicContact CG2-CG1 4.43Å; I516-I587 PolarHBondContact N-O 2.83Å; I516-I587 PolarHBondContact O-N 2.8Å; I516-V589 HydrophobicContact CD1-CG2 4.46Å; I516-V589 HydrophobicContact CG1-CG2 3.74Å
517	Q	89.7	Confident	84.2	Confident	72 Å²	72	67.6 Å²	67.6	34%	0.336	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.9	172.8	-167.4	67.7	9.6	0	0	109.5	D549 E583 G584	Q517-D549 PolarHBondContact N-OD2 2.98Å; Q517-E583 PolarHBondContact NE2-O 3.02Å; Q517-G584 PolarHBondContact NE2-O 2.83Å
518	V	87.1	Confident	84.3	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.4	177	-178.9	0	0	0	0	109.1	I516 L525 F527 A546 G584 I585 I587	I516-V518 HydrophobicContact CG2-CG2 4.42Å; V518-L525 HydrophobicContact CG1-CB 4.37Å; V518-L525 HydrophobicContact CG1-CD2 3.73Å; V518-L525 HydrophobicContact CG1-CG 4.49Å; V518-F527 HydrophobicContact CG1-CE1 3.86Å; V518-F527 HydrophobicContact CG1-CZ 4.14Å; V518-F527 HydrophobicContact CG2-CE1 4.23Å; V518-F527 HydrophobicContact CG2-CZ 4.44Å; V518-A546 HydrophobicContact CG2-CB 4.43Å; V518-G584 CarbonylContact O-C 3.44Å; V518-G584 WeakPolarHBondContact O-CA 3.36Å; V518-I585 HydrophobicContact CB-CG2 4.29Å; V518-I585 PolarHBondContact N-O 2.82Å; V518-I585 PolarHBondContact O-N 2.85Å; V518-I587 HydrophobicContact CG2-CB 4.49Å; V518-I587 HydrophobicContact CG2-CD1 3.61Å; V518-I587 HydrophobicContact CG2-CG1 3.74Å; V518-I587 HydrophobicContact CG2-CG2 3.98Å
519	C	81.5	Confident	84.5	Confident	21 Å²	21	62.9 Å²	62.9	14%	0.142	32%	0.322	C	S	.	.			trans	-118.2	140.9	174.6	-60.3	0	0	0	0	108.9	D521	C519-D521 PolarHBondContact O-N 2.71Å
520	A	72.9	Confident	84.7	Confident	35 Å²	35	65.5 Å²	65.5	29%	0.289	33%	0.334	S	S	.	.			trans	-87.3	97.8	173.2	0	0	0	0	0	109.3	L525	A520-L525 HydrophobicContact CB-CD2 3.93Å
521	D	65.8	Low	84.3	Confident	81 Å²	81	66.2 Å²	66.2	43%	0.433	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-86.1	121.2	169.8	-66	-25	0	0	0	107.3	C519 R523 D524 R545	C519-D521 PolarHBondContact O-N 2.71Å; D521-R523 PolarHBondContact O-N 2.79Å; D521-R523 VanDerWaalsContact O-N 3.1Å; D521-D524 PolarHBondContact N-O 3.18Å; D521-D524 PolarHBondContact O-N 3.23Å; D521-R545 IonicContact OD1-NH1 3.98Å; D521-R545 PolarHBondContact OD1-NH1 3.5Å; D521-R545 WeakPolarHBondContact OD2-CD 3.47Å; D521-R545 IonicContact OD2-NH1 3.39Å
522	D	63.8	Low	83.8	Confident	170 Å²	170	72.8 Å²	72.8	91%	0.909	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	29.9	-176.7	-69.2	-26.9	0	0	0	115.8	D524	D522-D524 PolarHBondContact O-N 2.91Å
523	R	65.3	Low	83.7	Confident	244 Å²	244	71.6 Å²	71.6	92%	0.921	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	13.6	-176.1	-50.3	-179.1	176.8	-152.7	-4	115.1	D521	D521-R523 PolarHBondContact O-N 2.79Å; D521-R523 VanDerWaalsContact O-N 3.1Å
524	D	77.3	Confident	83.6	Confident	107 Å²	107	69.2 Å²	69.2	57%	0.572	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-107.4	134.6	168.8	-164.4	-7.5	0	0	0	109.8	D521 D522 G526	D521-D524 PolarHBondContact N-O 3.18Å; D521-D524 PolarHBondContact O-N 3.23Å; D522-D524 PolarHBondContact O-N 2.91Å; D524-G526 VanDerWaalsContact C-N 3.34Å; D524-G526 PolarHBondContact OD1-N 3.34Å
525	L	80.9	Confident	83.6	Confident	22 Å²	22	66.4 Å²	66.4	12%	0.115	34%	0.341	C	S	.	.			trans	-89.4	-9.2	177.1	-57.9	173.2	0	0	0	111.3	V518 A520 F527 L577	V518-L525 HydrophobicContact CG1-CB 4.37Å; V518-L525 HydrophobicContact CG1-CD2 3.73Å; V518-L525 HydrophobicContact CG1-CG 4.49Å; A520-L525 HydrophobicContact CB-CD2 3.93Å; L525-F527 VanDerWaalsContact C-N 3.3Å; L525-F527 HydrophobicContact CB-CD1 4.1Å; L525-F527 HydrophobicContact CB-CE1 3.68Å; L525-F527 HydrophobicContact CB-CZ 3.92Å; L525-F527 HydrophobicContact CD1-CZ 4.16Å; L525-F527 WeakPolarHBondContact O-CD1 3.41Å; L525-F527 WeakPolarHBondContact O-CE1 3.14Å; L525-F527 PolarHBondContact O-N 3.45Å; L525-L577 HydrophobicContact CD1-CB 3.87Å; L525-L577 HydrophobicContact CD1-CD1 4.14Å
526	G	84.6	Confident	83.6	Confident	11 Å²	11	63.2 Å²	63.2	11%	0.113	33%	0.327	C	S	.	.	S	Bend	trans	75.6	15.3	179	0	0	0	0	0	113.8	D524 D541	D524-G526 VanDerWaalsContact C-N 3.34Å; D524-G526 PolarHBondContact OD1-N 3.34Å; G526-D541 WeakPolarHBondContact O-CB 3.44Å; G526-D541 PolarHBondContact O-N 2.77Å
527	F	91.1	Very high	83.7	Confident	17 Å²	17	63 Å²	63	8%	0.075	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158	174.5	58.7	-94.9	0	0	0	112.7	V518 L525 L529 V537 S539 L540 A546 L551 L577	V518-F527 HydrophobicContact CG1-CE1 3.86Å; V518-F527 HydrophobicContact CG1-CZ 4.14Å; V518-F527 HydrophobicContact CG2-CE1 4.23Å; V518-F527 HydrophobicContact CG2-CZ 4.44Å; L525-F527 VanDerWaalsContact C-N 3.3Å; L525-F527 HydrophobicContact CB-CD1 4.1Å; L525-F527 HydrophobicContact CB-CE1 3.68Å; L525-F527 HydrophobicContact CB-CZ 3.92Å; L525-F527 HydrophobicContact CD1-CZ 4.16Å; L525-F527 WeakPolarHBondContact O-CD1 3.41Å; L525-F527 WeakPolarHBondContact O-CE1 3.14Å; L525-F527 PolarHBondContact O-N 3.45Å; F527-L529 HydrophobicContact CD2-CD2 3.66Å; F527-L529 HydrophobicContact CD2-CG 4.09Å; F527-L529 HydrophobicContact CE2-CD1 4.23Å; F527-L529 HydrophobicContact CE2-CD2 3.69Å; F527-L529 HydrophobicContact CE2-CG 4.02Å; F527-V537 HydrophobicContact CB-CG1 4.06Å; F527-S539 CarbonylContact C-O 3.47Å; F527-S539 WeakPolarHBondContact CA-O 3.47Å; F527-S539 WeakPolarHBondContact CB-O 3.44Å; F527-L540 HydrophobicContact CB-CD1 3.83Å; F527-L540 HydrophobicContact CD1-CD1 4.44Å; F527-A546 HydrophobicContact CD1-CB 4.01Å; F527-A546 HydrophobicContact CE1-CB 4.02Å; F527-L551 HydrophobicContact CB-CD2 4.45Å; F527-L551 HydrophobicContact CD1-CD2 3.63Å; F527-L551 HydrophobicContact CE1-CD2 3.94Å; F527-L551 HydrophobicContact CG-CD2 3.97Å; F527-L577 HydrophobicContact CE2-CD1 4.47Å
528	T	91	Very high	83.8	Confident	74 Å²	74	62.7 Å²	62.7	45%	0.454	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.8	174.8	70	0	0	0	0	112	V538 S539	T528-V538 PolarHBondContact O-N 3.3Å; T528-S539 WeakPolarHBondContact CB-OG 3.46Å; T528-S539 VanDerWaalsContact CG2-OG 3.25Å; T528-S539 WeakPolarHBondContact CG2-OG 3.41Å; T528-S539 PolarHBondContact N-O 3.34Å; T528-S539 WeakPolarHBondContact OG1-CB 3.23Å; T528-S539 PolarHBondContact OG1-N 3.29Å; T528-S539 PolarHBondContact OG1-OG 3.45Å
529	L	92.7	Very high	84	Confident	23 Å²	23	65 Å²	65	12%	0.12	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.7	-174.4	-61.9	-176.1	0	0	0	111.5	F527 V535 Q536 V537 I557 V570 M573 M574 L577	F527-L529 HydrophobicContact CD2-CD2 3.66Å; F527-L529 HydrophobicContact CD2-CG 4.09Å; F527-L529 HydrophobicContact CE2-CD1 4.23Å; F527-L529 HydrophobicContact CE2-CD2 3.69Å; F527-L529 HydrophobicContact CE2-CG 4.02Å; L529-V535 HydrophobicContact CB-CG1 3.59Å; L529-V535 HydrophobicContact CD1-CG1 3.9Å; L529-V535 HydrophobicContact CD2-CG1 3.96Å; L529-V535 HydrophobicContact CG-CG1 4.02Å; L529-Q536 CarbonylContact C-O 3.58Å; L529-Q536 WeakPolarHBondContact CA-O 3.46Å; L529-V537 HydrophobicContact CD2-CG2 3.89Å; L529-I557 HydrophobicContact CD1-CD1 4.19Å; L529-I557 HydrophobicContact CD2-CD1 3.68Å; L529-V570 HydrophobicContact CB-CG1 4.28Å; L529-V570 HydrophobicContact CB-CG2 4.14Å; L529-M573 HydrophobicContact CD1-CG 3.7Å; L529-M574 HydrophobicContact CD1-SD 3.83Å; L529-M574 HydrophobicContact CG-SD 4.44Å; L529-L577 HydrophobicContact CD1-CD1 3.92Å
530	K	90.7	Very high	84.5	Confident	141 Å²	141	65.1 Å²	65.1	61%	0.613	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.8	175.8	-168.8	-179	175.2	-178	0	111.1	Q536 V538	K530-Q536 PolarHBondContact N-O 2.76Å; K530-Q536 PolarHBondContact O-N 3.08Å; K530-V538 HydrophobicContact CB-CB 4.37Å; K530-V538 HydrophobicContact CB-CG2 3.33Å; K530-V538 HydrophobicContact CD-CG2 4.03Å; K530-V538 HydrophobicContact CG-CG2 4.32Å
531	G	82.6	Confident	85.3	Confident	39 Å²	39	67.1 Å²	67.1	40%	0.402	35%	0.35	S	S	.	.			trans	108.8	166.2	172.7	0	0	0	0	0	113.1	V570	G531-V570 WeakPolarHBondContact O-CG2 3.33Å
532	E	80.6	Confident	86.3	Confident	175 Å²	175	68.3 Å²	68.3	82%	0.818	36%	0.363	S	S	*	.	S	Bend	trans	-97.6	-42.5	179.3	-69.6	-165.2	162.4	0	0	113.4	M568 G569	E532-M568 CarbonylContact O-C 3.59Å; E532-M568 VanDerWaalsContact O-C 3.27Å; E532-G569 WeakPolarHBondContact O-CA 3.2Å; E532-G569 PolarHBondContact O-N 2.89Å; E532-G569 VanDerWaalsContact O-N 3.16Å
533	A	87.6	Confident	87.4	Confident	30 Å²	30	67.6 Å²	67.6	25%	0.248	36%	0.358	C	S	.	.	S	Bend	trans	-171.4	129.1	172.8	0	0	0	0	0	110	P500	P500-A533 HydrophobicContact CG-CB 3.97Å
534	P	89.8	Confident	88.4	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.032	32%	0.318	C	S	.	.	S	Bend	cis	-68.3	158	-16.6	31.9	-37.4	0	0	0	111.9	V503 F504 Y556 K566	V503-P534 HydrophobicContact CB-CG 3.92Å; V503-P534 HydrophobicContact CG1-CG 4.1Å; V503-P534 HydrophobicContact CG2-CG 3.7Å; F504-P534 HydrophobicContact CE2-CB 4.11Å; F504-P534 HydrophobicContact CE2-CG 3.7Å; F504-P534 HydrophobicContact CZ-CG 4.25Å; P534-Y556 HydrophobicContact CB-CD1 4.17Å; P534-Y556 HydrophobicContact CG-CD1 3.53Å; P534-Y556 HydrophobicContact CG-CE1 4.04Å; P534-Y556 HydrophobicContact CG-CG 4.04Å; P534-K566 VanDerWaalsContact CA-O 3.3Å; P534-K566 WeakPolarHBondContact CA-O 3.21Å; P534-K566 WeakPolarHBondContact CB-O 3.17Å
535	V	93.9	Very high	88.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.315	C	S	.	.			trans	-72.4	136.1	175.6	178.3	0	0	0	0	110.7	L529 Y556 I557 M568 V570 M573	L529-V535 HydrophobicContact CB-CG1 3.59Å; L529-V535 HydrophobicContact CD1-CG1 3.9Å; L529-V535 HydrophobicContact CD2-CG1 3.96Å; L529-V535 HydrophobicContact CG-CG1 4.02Å; V535-Y556 WeakPolarHBondContact O-CA 3.49Å; V535-I557 PolarHBondContact O-N 3.08Å; V535-M568 VanDerWaalsContact CG2-O 3.32Å; V535-M568 WeakPolarHBondContact CG2-O 3.35Å; V535-V570 HydrophobicContact CG1-CG2 3.8Å; V535-V570 HydrophobicContact CG2-CG2 4.02Å; V535-M573 HydrophobicContact CB-CE 4.16Å; V535-M573 HydrophobicContact CG1-CG 4.44Å; V535-M573 HydrophobicContact CG2-CB 4.03Å; V535-M573 HydrophobicContact CG2-CE 4.23Å; V535-M573 HydrophobicContact CG2-CG 4.36Å
536	Q	94.4	Very high	89.2	Confident	57 Å²	57	57 Å²	57	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.7	-179.9	-166.6	176	31.6	0	0	111.6	L529 K530 G554 D555 Y556	L529-Q536 CarbonylContact C-O 3.58Å; L529-Q536 WeakPolarHBondContact CA-O 3.46Å; K530-Q536 PolarHBondContact N-O 2.76Å; K530-Q536 PolarHBondContact O-N 3.08Å; Q536-G554 PolarHBondContact NE2-O 3.28Å; Q536-D555 CarbonylContact C-O 3.56Å; Q536-D555 WeakPolarHBondContact CA-O 3.3Å; Q536-Y556 HydrophobicContact CB-CD1 3.81Å; Q536-Y556 HydrophobicContact CB-CE1 3.7Å; Q536-Y556 HydrophobicContact CG-CD1 4.08Å; Q536-Y556 HydrophobicContact CG-CE1 3.9Å
537	V	93.9	Very high	89.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.6	169.2	-178.1	0	0	0	0	109.2	F527 L529 L551 G554 D555 I557	F527-V537 HydrophobicContact CB-CG1 4.06Å; L529-V537 HydrophobicContact CD2-CG2 3.89Å; V537-L551 HydrophobicContact CG1-CD2 4.42Å; V537-L551 HydrophobicContact CG2-CD1 4.1Å; V537-L551 HydrophobicContact CG2-CD2 4.28Å; V537-L551 HydrophobicContact CG2-CG 4.41Å; V537-G554 WeakPolarHBondContact O-CA 3.47Å; V537-G554 PolarHBondContact O-N 3.43Å; V537-D555 HydrophobicContact CG2-CB 4.48Å; V537-D555 PolarHBondContact N-O 3.15Å; V537-I557 HydrophobicContact CG2-CD1 4.35Å; V537-I557 HydrophobicContact CG2-CG1 4.32Å
538	V	92.4	Very high	89.2	Confident	65 Å²	65	62.2 Å²	62.2	39%	0.394	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-32.5	-174.7	176.8	0	0	0	0	113.2	T528 K530	T528-V538 PolarHBondContact O-N 3.3Å; K530-V538 HydrophobicContact CB-CB 4.37Å; K530-V538 HydrophobicContact CB-CG2 3.33Å; K530-V538 HydrophobicContact CD-CG2 4.03Å; K530-V538 HydrophobicContact CG-CG2 4.32Å
539	S	90.9	Very high	89.1	Confident	47 Å²	47	62.6 Å²	62.6	33%	0.329	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.7	170.9	73	0	0	0	0	109.5	F527 T528 E553	F527-S539 CarbonylContact C-O 3.47Å; F527-S539 WeakPolarHBondContact CA-O 3.47Å; F527-S539 WeakPolarHBondContact CB-O 3.44Å; T528-S539 WeakPolarHBondContact CB-OG 3.46Å; T528-S539 VanDerWaalsContact CG2-OG 3.25Å; T528-S539 WeakPolarHBondContact CG2-OG 3.41Å; T528-S539 PolarHBondContact N-O 3.34Å; T528-S539 WeakPolarHBondContact OG1-CB 3.23Å; T528-S539 PolarHBondContact OG1-N 3.29Å; T528-S539 PolarHBondContact OG1-OG 3.45Å; S539-E553 WeakPolarHBondContact CA-OE1 3.31Å
540	L	92.5	Very high	89	Confident	24 Å²	24	62.9 Å²	62.9	13%	0.126	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.4	178.6	178.4	64.8	0	0	0	109.3	F527 P542 A547 L551 E553	F527-L540 HydrophobicContact CB-CD1 3.83Å; F527-L540 HydrophobicContact CD1-CD1 4.44Å; L540-P542 VanDerWaalsContact O-CD 3.25Å; L540-P542 WeakPolarHBondContact O-CD 3.33Å; L540-A547 HydrophobicContact CD1-CB 3.98Å; L540-A547 HydrophobicContact CD2-CB 3.77Å; L540-A547 HydrophobicContact CG-CB 3.83Å; L540-L551 HydrophobicContact CD1-CB 4.44Å; L540-L551 HydrophobicContact CD1-CD2 3.92Å; L540-L551 HydrophobicContact CD1-CG 4.36Å; L540-L551 HydrophobicContact CD2-CB 4.21Å; L540-L551 HydrophobicContact CD2-CG 4.42Å; L540-L551 WeakPolarHBondContact CD2-O 3.33Å; L540-E553 HydrophobicContact CB-CG 3.72Å; L540-E553 PolarHBondContact N-OE1 2.97Å
541	D	90.2	Very high	89.1	Confident	77 Å²	77	56.4 Å²	56.4	41%	0.412	33%	0.325	S	S	.	.			trans	-67.5	116.6	168.7	178.7	3.6	0	0	0	108.6	G526 L543 S544 A547	G526-D541 WeakPolarHBondContact O-CB 3.44Å; G526-D541 PolarHBondContact O-N 2.77Å; D541-L543 PolarHBondContact O-N 2.93Å; D541-L543 VanDerWaalsContact O-N 3.1Å; D541-L543 PolarHBondContact OD1-N 3.49Å; D541-S544 VanDerWaalsContact O-CB 3.29Å; D541-S544 WeakPolarHBondContact O-CB 2.85Å; D541-S544 PolarHBondContact O-N 3.36Å; D541-S544 PolarHBondContact O-OG 2.75Å; D541-A547 WeakPolarHBondContact O-CB 2.75Å
542	P	86.7	Confident	89.6	Confident	107 Å²	107	60.2 Å²	60.2	70%	0.695	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.8	180	-22.7	34.6	0	0	0	114.1	L540	L540-P542 VanDerWaalsContact O-CD 3.25Å; L540-P542 WeakPolarHBondContact O-CD 3.33Å
543	L	85.8	Confident	90.2	Very high	155 Å²	155	57.6 Å²	57.6	81%	0.812	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.1	178.2	-60.3	177.3	0	0	0	113.1	D541	D541-L543 PolarHBondContact O-N 2.93Å; D541-L543 VanDerWaalsContact O-N 3.1Å; D541-L543 PolarHBondContact OD1-N 3.49Å
544	S	87.6	Confident	90.4	Very high	13 Å²	13	57.4 Å²	57.4	9%	0.091	32%	0.319	C	S	.	.	S	Bend	trans	-69.3	151.7	179.6	68	0	0	0	0	112.5	D541 A546 A547 T548	D541-S544 VanDerWaalsContact O-CB 3.29Å; D541-S544 WeakPolarHBondContact O-CB 2.85Å; D541-S544 PolarHBondContact O-N 3.36Å; D541-S544 PolarHBondContact O-OG 2.75Å; S544-A546 VanDerWaalsContact C-N 3.27Å; S544-A546 PolarHBondContact O-N 3.13Å; S544-A547 WeakPolarHBondContact O-CB 3.3Å; S544-A547 PolarHBondContact O-N 3.45Å; S544-A547 VanDerWaalsContact O-N 3.14Å; S544-A547 WeakPolarHBondContact OG-CB 3.45Å; S544-A547 PolarHBondContact OG-N 3.01Å; S544-T548 PolarHBondContact O-N 3.26Å; S544-T548 VanDerWaalsContact O-N 3.1Å
545	R	85.1	Confident	90.6	Very high	134 Å²	134	57.2 Å²	57.2	51%	0.506	32%	0.317	S	S	.	.	H	α-helix	trans	-57.2	-41.4	173.4	-76.4	-176.9	140	158.3	-13	112.3	D521 A547 T548 D549	D521-R545 IonicContact OD1-NH1 3.98Å; D521-R545 PolarHBondContact OD1-NH1 3.5Å; D521-R545 WeakPolarHBondContact OD2-CD 3.47Å; D521-R545 IonicContact OD2-NH1 3.39Å; R545-A547 VanDerWaalsContact C-N 3.3Å; R545-A547 PolarHBondContact O-N 2.81Å; R545-T548 WeakPolarHBondContact CA-OG1 3.48Å; R545-T548 PolarHBondContact O-N 3.03Å; R545-T548 VanDerWaalsContact O-N 3.16Å; R545-T548 PolarHBondContact O-OG1 2.88Å; R545-D549 PolarHBondContact O-N 3.13Å
546	A	88.4	Confident	90.7	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-39.3	177.7	0	0	0	0	0	112.2	V518 F527 S544 D549 G550 L551	V518-A546 HydrophobicContact CG2-CB 4.43Å; F527-A546 HydrophobicContact CD1-CB 4.01Å; F527-A546 HydrophobicContact CE1-CB 4.02Å; S544-A546 VanDerWaalsContact C-N 3.27Å; S544-A546 PolarHBondContact O-N 3.13Å; A546-D549 PolarHBondContact O-N 3.45Å; A546-G550 PolarHBondContact O-N 3.11Å; A546-L551 HydrophobicContact CB-CB 4.27Å; A546-L551 HydrophobicContact CB-CD2 3.81Å; A546-L551 WeakPolarHBondContact O-CB 3.47Å; A546-L551 PolarHBondContact O-N 3.02Å
547	A	88.9	Confident	90.6	Very high	25 Å²	25	56.4 Å²	56.4	21%	0.207	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-43.4	174.4	0	0	0	0	0	112.2	L540 D541 S544 R545 D549 G550	L540-A547 HydrophobicContact CD1-CB 3.98Å; L540-A547 HydrophobicContact CD2-CB 3.77Å; L540-A547 HydrophobicContact CG-CB 3.83Å; D541-A547 WeakPolarHBondContact O-CB 2.75Å; S544-A547 WeakPolarHBondContact O-CB 3.3Å; S544-A547 PolarHBondContact O-N 3.45Å; S544-A547 VanDerWaalsContact O-N 3.14Å; S544-A547 WeakPolarHBondContact OG-CB 3.45Å; S544-A547 PolarHBondContact OG-N 3.01Å; R545-A547 VanDerWaalsContact C-N 3.3Å; R545-A547 PolarHBondContact O-N 2.81Å; A547-D549 PolarHBondContact O-N 3.5Å; A547-G550 PolarHBondContact O-N 2.95Å; A547-G550 VanDerWaalsContact O-N 3.09Å
548	T	88.1	Confident	90.6	Very high	113 Å²	113	56.9 Å²	56.9	69%	0.693	32%	0.315	S	S	*	.	H	α-helix	trans	-64.1	-29.2	177.5	58	0	0	0	0	113.2	S544 R545 G550	S544-T548 PolarHBondContact O-N 3.26Å; S544-T548 VanDerWaalsContact O-N 3.1Å; R545-T548 WeakPolarHBondContact CA-OG1 3.48Å; R545-T548 PolarHBondContact O-N 3.03Å; R545-T548 VanDerWaalsContact O-N 3.16Å; R545-T548 PolarHBondContact O-OG1 2.88Å; T548-G550 VanDerWaalsContact C-N 3.28Å
549	D	89	Confident	90.7	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0	177.7	-156	46.6	0	0	0	113.1	I516 Q517 R545 A546 A547	I516-D549 VanDerWaalsContact CA-OD2 3.32Å; I516-D549 WeakPolarHBondContact CA-OD2 3.31Å; I516-D549 WeakPolarHBondContact CD1-O 3.31Å; I516-D549 HydrophobicContact CG2-CB 4.14Å; Q517-D549 PolarHBondContact N-OD2 2.98Å; R545-D549 PolarHBondContact O-N 3.13Å; A546-D549 PolarHBondContact O-N 3.45Å; A547-D549 PolarHBondContact O-N 3.5Å
550	G	90	Very high	90.8	Very high	29 Å²	29	52.4 Å²	52.4	30%	0.299	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	14.9	167.1	0	0	0	0	0	115.9	A546 A547 T548	A546-G550 PolarHBondContact O-N 3.11Å; A547-G550 PolarHBondContact O-N 2.95Å; A547-G550 VanDerWaalsContact O-N 3.09Å; T548-G550 VanDerWaalsContact C-N 3.28Å
551	L	93.8	Very high	90.6	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	29%	0.294	C	S	.	.			trans	-62.8	144.5	167.5	-166.8	60.6	0	0	0	110.1	I516 F527 V537 L540 A546 D555 I587 V589	I516-L551 HydrophobicContact CG2-CB 4.24Å; F527-L551 HydrophobicContact CB-CD2 4.45Å; F527-L551 HydrophobicContact CD1-CD2 3.63Å; F527-L551 HydrophobicContact CE1-CD2 3.94Å; F527-L551 HydrophobicContact CG-CD2 3.97Å; V537-L551 HydrophobicContact CG1-CD2 4.42Å; V537-L551 HydrophobicContact CG2-CD1 4.1Å; V537-L551 HydrophobicContact CG2-CD2 4.28Å; V537-L551 HydrophobicContact CG2-CG 4.41Å; L540-L551 HydrophobicContact CD1-CB 4.44Å; L540-L551 HydrophobicContact CD1-CD2 3.92Å; L540-L551 HydrophobicContact CD1-CG 4.36Å; L540-L551 HydrophobicContact CD2-CB 4.21Å; L540-L551 HydrophobicContact CD2-CG 4.42Å; L540-L551 WeakPolarHBondContact CD2-O 3.33Å; A546-L551 HydrophobicContact CB-CB 4.27Å; A546-L551 HydrophobicContact CB-CD2 3.81Å; A546-L551 WeakPolarHBondContact O-CB 3.47Å; A546-L551 PolarHBondContact O-N 3.02Å; L551-D555 HydrophobicContact CD1-CB 4.26Å; L551-I587 HydrophobicContact CD1-CD1 4.3Å; L551-V589 HydrophobicContact CD1-CB 4.43Å; L551-V589 HydrophobicContact CD1-CG1 3.79Å; L551-V589 HydrophobicContact CD1-CG2 4.2Å
552	K	93	Very high	90.4	Very high	118 Å²	118	57.5 Å²	57.5	51%	0.513	32%	0.32	S	S	.	.			trans	-131.2	150.4	178	-59	179.5	-175.5	178.5	0	111.4	G554 D555	K552-G554 PolarHBondContact O-N 3.11Å; K552-D555 PolarHBondContact N-OD2 2.76Å; K552-D555 VanDerWaalsContact O-CB 3.26Å; K552-D555 WeakPolarHBondContact O-CB 3.43Å; K552-D555 PolarHBondContact O-N 2.69Å
553	E	92.9	Very high	90.5	Very high	121 Å²	121	57.6 Å²	57.6	57%	0.565	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	135.8	165.4	-62.4	-173.3	162.8	0	0	109.9	S539 L540	S539-E553 WeakPolarHBondContact CA-OE1 3.31Å; L540-E553 HydrophobicContact CB-CG 3.72Å; L540-E553 PolarHBondContact N-OE1 2.97Å
554	G	90.8	Very high	90.8	Very high	26 Å²	26	54 Å²	54	27%	0.268	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-8.5	-174.7	0	0	0	0	0	115	Q536 V537 K552	Q536-G554 PolarHBondContact NE2-O 3.28Å; V537-G554 WeakPolarHBondContact O-CA 3.47Å; V537-G554 PolarHBondContact O-N 3.43Å; K552-G554 PolarHBondContact O-N 3.11Å
555	D	94.6	Very high	91.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-65.1	141.3	176.3	-78.9	-12	0	0	0	111.8	R514 Q536 V537 L551 K552 V589 S591	R514-D555 VanDerWaalsContact NH2-CG 3.33Å; R514-D555 IonicContact NH2-OD1 3.04Å; R514-D555 PolarHBondContact NH2-OD1 3.18Å; R514-D555 VanDerWaalsContact NH2-OD1 3.11Å; R514-D555 IonicContact NH2-OD2 3.79Å; R514-D555 PolarHBondContact NH2-OD2 3.39Å; Q536-D555 CarbonylContact C-O 3.56Å; Q536-D555 WeakPolarHBondContact CA-O 3.3Å; V537-D555 HydrophobicContact CG2-CB 4.48Å; V537-D555 PolarHBondContact N-O 3.15Å; L551-D555 HydrophobicContact CD1-CB 4.26Å; K552-D555 PolarHBondContact N-OD2 2.76Å; K552-D555 VanDerWaalsContact O-CB 3.26Å; K552-D555 WeakPolarHBondContact O-CB 3.43Å; K552-D555 PolarHBondContact O-N 2.69Å; D555-V589 HydrophobicContact CB-CB 4.16Å; D555-V589 HydrophobicContact CB-CG2 4.46Å; D555-S591 WeakPolarHBondContact OD1-CB 3.4Å; D555-S591 PolarHBondContact OD1-OG 3.13Å
556	Y	94.9	Very high	91.5	Very high	39 Å²	39	47.8 Å²	47.8	15%	0.153	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.2	171.2	-69.3	-75.5	0	0	0	110.5	V503 P534 V535 Q536 V589 V590 V592	V503-Y556 HydrophobicContact CG1-CD2 3.98Å; V503-Y556 HydrophobicContact CG1-CE2 3.93Å; V503-Y556 HydrophobicContact CG1-CG 4.36Å; V503-Y556 HydrophobicContact CG2-CE1 3.96Å; V503-Y556 HydrophobicContact CG2-CE2 4.33Å; P534-Y556 HydrophobicContact CB-CD1 4.17Å; P534-Y556 HydrophobicContact CG-CD1 3.53Å; P534-Y556 HydrophobicContact CG-CE1 4.04Å; P534-Y556 HydrophobicContact CG-CG 4.04Å; V535-Y556 WeakPolarHBondContact O-CA 3.49Å; Q536-Y556 HydrophobicContact CB-CD1 3.81Å; Q536-Y556 HydrophobicContact CB-CE1 3.7Å; Q536-Y556 HydrophobicContact CG-CD1 4.08Å; Q536-Y556 HydrophobicContact CG-CE1 3.9Å; Y556-V589 CarbonylContact O-C 3.57Å; Y556-V589 WeakPolarHBondContact O-CA 3.38Å; Y556-V590 PolarHBondContact N-O 3.11Å; Y556-V590 PolarHBondContact O-N 2.48Å; Y556-V592 HydrophobicContact CD2-CG2 4.06Å; Y556-V592 HydrophobicContact CE2-CG2 3.54Å
557	I	94.3	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.2	175.7	-54.1	177.8	0	0	0	109.1	L529 V535 V537 V560 T565 M573 I587 V589	L529-I557 HydrophobicContact CD1-CD1 4.19Å; L529-I557 HydrophobicContact CD2-CD1 3.68Å; V535-I557 PolarHBondContact O-N 3.08Å; V537-I557 HydrophobicContact CG2-CD1 4.35Å; V537-I557 HydrophobicContact CG2-CG1 4.32Å; I557-V560 HydrophobicContact CG2-CG2 3.88Å; I557-T565 PolarHBondContact O-OG1 3.27Å; I557-M573 HydrophobicContact CB-CE 3.85Å; I557-M573 HydrophobicContact CG2-CE 3.62Å; I557-M573 HydrophobicContact CG2-SD 4.13Å; I557-I587 HydrophobicContact CD1-CD1 4.33Å; I557-I587 HydrophobicContact CG1-CD1 4.45Å; I557-I587 HydrophobicContact CG2-CB 4.46Å; I557-V589 HydrophobicContact CG1-CG1 4.12Å
558	V	94	Very high	91.9	Very high	10 Å²	10	54.1 Å²	54.1	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-24	-173.8	-61.2	0	0	0	0	113.9	F504 T565 K566 Q588 V590	F504-V558 HydrophobicContact CE1-CG1 4.07Å; F504-V558 HydrophobicContact CZ-CG1 3.56Å; V558-T565 PolarHBondContact O-N 3.39Å; V558-T565 PolarHBondContact O-OG1 3.31Å; V558-K566 HydrophobicContact CB-CG 4.07Å; V558-K566 HydrophobicContact CG1-CG 4.35Å; V558-Q588 HydrophobicContact CG2-CB 3.87Å; V558-Q588 WeakPolarHBondContact CG2-O 3.49Å; V558-Q588 PolarHBondContact N-O 2.93Å; V558-V590 HydrophobicContact CG1-CG1 4.27Å; V558-V590 HydrophobicContact CG1-CG2 3.73Å; V558-V590 HydrophobicContact CG2-CG1 4.3Å
559	A	93.8	Very high	92.2	Very high	12 Å²	12	49.6 Å²	49.6	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.5	170.3	0	0	0	0	0	111	K563 T565 I587 Q588	A559-K563 VanDerWaalsContact CA-O 3.23Å; A559-K563 WeakPolarHBondContact CA-O 2.87Å; A559-K563 WeakPolarHBondContact CB-O 3.21Å; A559-T565 WeakPolarHBondContact CA-OG1 3.44Å; A559-T565 PolarHBondContact N-OG1 3.16Å; A559-I587 WeakPolarHBondContact O-CA 3.47Å; A559-Q588 HydrophobicContact CB-CB 4.04Å; A559-Q588 HydrophobicContact CB-CG 4.28Å; A559-Q588 PolarHBondContact N-O 3.03Å; A559-Q588 PolarHBondContact O-N 2.86Å
560	V	92.1	Very high	92.3	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	117.8	172.8	174.5	0	0	0	0	107.3	I557 D562 K563 T565 M573 L576 L577 I585 I587	I557-V560 HydrophobicContact CG2-CG2 3.88Å; V560-D562 PolarHBondContact O-N 2.92Å; V560-K563 PolarHBondContact N-O 3.41Å; V560-K563 WeakPolarHBondContact O-CB 3.32Å; V560-K563 PolarHBondContact O-N 3.35Å; V560-K563 VanDerWaalsContact O-N 3.11Å; V560-T565 HydrophobicContact CB-CG2 4.1Å; V560-T565 HydrophobicContact CG2-CG2 3.9Å; V560-M573 HydrophobicContact CG2-CE 4.46Å; V560-M573 HydrophobicContact CG2-SD 3.71Å; V560-L576 HydrophobicContact CB-CD2 3.37Å; V560-L576 HydrophobicContact CG1-CD2 3.51Å; V560-L576 HydrophobicContact CG1-CG 4.18Å; V560-L576 HydrophobicContact CG2-CD2 3.9Å; V560-L577 HydrophobicContact CG1-CD2 4.04Å; V560-L577 HydrophobicContact CG2-CD2 4.3Å; V560-I585 HydrophobicContact CG1-CD1 3.37Å; V560-I585 HydrophobicContact CG1-CG1 3.85Å; V560-I585 HydrophobicContact CG1-CG2 4.48Å; V560-I587 HydrophobicContact CB-CG2 4.43Å; V560-I587 HydrophobicContact CG1-CG2 4.24Å; V560-I587 HydrophobicContact CG2-CB 4.4Å; V560-I587 HydrophobicContact CG2-CG2 3.9Å
561	G	88.1	Confident	92.3	Very high	26 Å²	26	50.7 Å²	50.7	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	-131.9	-161.3	0	0	0	0	0	110.9	K563 E586	G561-K563 VanDerWaalsContact C-N 3.3Å; G561-K563 PolarHBondContact O-N 3.13Å; G561-E586 PolarHBondContact N-O 3.04Å
562	D	85.8	Confident	92.1	Very high	182 Å²	182	53.9 Å²	53.9	97%	0.973	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	3	177	-62.8	-38.5	0	0	0	113.8	V560	V560-D562 PolarHBondContact O-N 2.92Å
563	K	90.5	Very high	92	Very high	110 Å²	110	48.2 Å²	48.2	48%	0.478	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.3	-174.6	-169.5	177.6	-179.5	177.9	0	111.4	A559 V560 G561 T565 L576	A559-K563 VanDerWaalsContact CA-O 3.23Å; A559-K563 WeakPolarHBondContact CA-O 2.87Å; A559-K563 WeakPolarHBondContact CB-O 3.21Å; V560-K563 PolarHBondContact N-O 3.41Å; V560-K563 WeakPolarHBondContact O-CB 3.32Å; V560-K563 PolarHBondContact O-N 3.35Å; V560-K563 VanDerWaalsContact O-N 3.11Å; G561-K563 VanDerWaalsContact C-N 3.3Å; G561-K563 PolarHBondContact O-N 3.13Å; K563-T565 WeakPolarHBondContact O-CG2 3.3Å; K563-T565 PolarHBondContact O-N 3.18Å; K563-L576 HydrophobicContact CD-CD1 3.73Å; K563-L576 HydrophobicContact CD-CD2 4.26Å
564	D	91.8	Very high	91.7	Very high	79 Å²	79	46.8 Å²	46.8	42%	0.422	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.7	169.1	-172.7	-56.7	0	0	0	110.2	K566	D564-K566 WeakPolarHBondContact OD1-CB 3.47Å; D564-K566 WeakPolarHBondContact OD1-CG 3.32Å; D564-K566 PolarHBondContact OD1-N 2.79Å; D564-K566 WeakPolarHBondContact OD2-CE 2.89Å; D564-K566 IonicContact OD2-NZ 2.64Å; D564-K566 PolarHBondContact OD2-NZ 2.83Å
565	T	93.6	Very high	91.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.			trans	-120	10.9	-176.9	64	0	0	0	0	113.2	I557 V558 A559 V560 K563 W567 M568 M573 L576	I557-T565 PolarHBondContact O-OG1 3.27Å; V558-T565 PolarHBondContact O-N 3.39Å; V558-T565 PolarHBondContact O-OG1 3.31Å; A559-T565 WeakPolarHBondContact CA-OG1 3.44Å; A559-T565 PolarHBondContact N-OG1 3.16Å; V560-T565 HydrophobicContact CB-CG2 4.1Å; V560-T565 HydrophobicContact CG2-CG2 3.9Å; K563-T565 WeakPolarHBondContact O-CG2 3.3Å; K563-T565 PolarHBondContact O-N 3.18Å; T565-W567 PolarHBondContact O-N 2.82Å; T565-W567 VanDerWaalsContact O-N 3.11Å; T565-M568 HydrophobicContact CG2-SD 3.55Å; T565-M568 VanDerWaalsContact CG2-SD 3.55Å; T565-M568 PolarHBondContact O-N 2.96Å; T565-M573 VanDerWaalsContact CB-CE 3.47Å; T565-M573 HydrophobicContact CG2-CE 4.01Å; T565-M573 HydrophobicContact CG2-SD 4.38Å; T565-M573 WeakPolarHBondContact OG1-CE 3.36Å; T565-L576 HydrophobicContact CG2-CD2 3.94Å
566	K	93.4	Very high	91.2	Very high	16 Å²	16	54.8 Å²	54.8	7%	0.07	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.9	-174.6	-62	173.9	-151.5	152.6	0	113	E138 R497 P500 F504 P534 V558 D564	E138-K566 IonicContact OE1-NZ 2.81Å; E138-K566 PolarHBondContact OE1-NZ 2.83Å; E138-K566 IonicContact OE2-NZ 3.95Å; R497-K566 PolarHBondContact O-NZ 2.7Å; P500-K566 VanDerWaalsContact CD-O 3.31Å; P500-K566 WeakPolarHBondContact CD-O 3.42Å; P500-K566 WeakPolarHBondContact CG-O 3.44Å; F504-K566 HydrophobicContact CE2-CB 4.24Å; F504-K566 HydrophobicContact CE2-CD 4.43Å; F504-K566 HydrophobicContact CE2-CG 4.21Å; F504-K566 HydrophobicContact CZ-CG 4.35Å; P534-K566 VanDerWaalsContact CA-O 3.3Å; P534-K566 WeakPolarHBondContact CA-O 3.21Å; P534-K566 WeakPolarHBondContact CB-O 3.17Å; V558-K566 HydrophobicContact CB-CG 4.07Å; V558-K566 HydrophobicContact CG1-CG 4.35Å; D564-K566 WeakPolarHBondContact OD1-CB 3.47Å; D564-K566 WeakPolarHBondContact OD1-CG 3.32Å; D564-K566 PolarHBondContact OD1-N 2.79Å; D564-K566 WeakPolarHBondContact OD2-CE 2.89Å; D564-K566 IonicContact OD2-NZ 2.64Å; D564-K566 PolarHBondContact OD2-NZ 2.83Å
567	W	93.3	Very high	90.7	Very high	134 Å²	134	53.2 Å²	53.2	51%	0.508	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	2.9	179.7	-68.3	97	0	0	0	114.1	Q496 G499 P500 T565	Q496-W567 HydrophobicContact CB-CZ2 4.09Å; Q496-W567 WeakPolarHBondContact O-CZ2 3.39Å; Q496-W567 PolarHBondContact O-NE1 2.85Å; G499-W567 VanDerWaalsContact C-CZ2 3.41Å; G499-W567 WeakPolarHBondContact O-CZ2 3.45Å; P500-W567 HydrophobicContact CB-CE3 4.4Å; P500-W567 HydrophobicContact CB-CH2 4.06Å; P500-W567 HydrophobicContact CB-CZ2 4.42Å; P500-W567 HydrophobicContact CB-CZ3 4.03Å; P500-W567 HydrophobicContact CG-CD2 3.79Å; P500-W567 HydrophobicContact CG-CE3 3.68Å; P500-W567 HydrophobicContact CG-CG 4.46Å; P500-W567 HydrophobicContact CG-CH2 4.08Å; P500-W567 HydrophobicContact CG-CZ2 4.17Å; P500-W567 HydrophobicContact CG-CZ3 3.82Å; T565-W567 PolarHBondContact O-N 2.82Å; T565-W567 VanDerWaalsContact O-N 3.11Å
568	M	92.9	Very high	90	Very high	26 Å²	26	61.4 Å²	61.4	13%	0.128	31%	0.311	C	S	.	.			trans	-84.7	145.3	179.9	-68.6	179.2	56	0	0	110.9	E532 V535 T565 D572 L576	E532-M568 CarbonylContact O-C 3.59Å; E532-M568 VanDerWaalsContact O-C 3.27Å; V535-M568 VanDerWaalsContact CG2-O 3.32Å; V535-M568 WeakPolarHBondContact CG2-O 3.35Å; T565-M568 HydrophobicContact CG2-SD 3.55Å; T565-M568 VanDerWaalsContact CG2-SD 3.55Å; T565-M568 PolarHBondContact O-N 2.96Å; M568-D572 HydrophobicContact CE-CB 3.75Å; M568-D572 WeakPolarHBondContact CE-O 3.19Å; M568-L576 HydrophobicContact CE-CB 4.39Å; M568-L576 HydrophobicContact CE-CD2 4.37Å
569	G	92.8	Very high	88.7	Confident	18 Å²	18	67.2 Å²	67.2	19%	0.186	34%	0.342	C	S	.	.			trans	-95.5	169	170.4	0	0	0	0	0	113.7	E532 S571 D572 M573	E532-G569 WeakPolarHBondContact O-CA 3.2Å; E532-G569 PolarHBondContact O-N 2.89Å; E532-G569 VanDerWaalsContact O-N 3.16Å; G569-S571 VanDerWaalsContact C-N 3.26Å; G569-S571 PolarHBondContact O-N 3.29Å; G569-D572 PolarHBondContact O-N 2.89Å; G569-D572 VanDerWaalsContact O-N 3.13Å; G569-M573 WeakPolarHBondContact O-CB 3.4Å; G569-M573 PolarHBondContact O-N 2.95Å
570	V	92.3	Very high	87.6	Confident	39 Å²	39	67.5 Å²	67.5	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-53.3	-41.8	-173.2	170.5	0	0	0	0	112.2	L529 G531 V535 D572 M573 M574	L529-V570 HydrophobicContact CB-CG1 4.28Å; L529-V570 HydrophobicContact CB-CG2 4.14Å; G531-V570 WeakPolarHBondContact O-CG2 3.33Å; V535-V570 HydrophobicContact CG1-CG2 3.8Å; V535-V570 HydrophobicContact CG2-CG2 4.02Å; V570-D572 PolarHBondContact O-N 2.9Å; V570-M573 PolarHBondContact O-N 3.09Å; V570-M574 HydrophobicContact CG1-CG 3.97Å; V570-M574 WeakPolarHBondContact O-CB 3.32Å; V570-M574 WeakPolarHBondContact O-CG 3.35Å; V570-M574 PolarHBondContact O-N 3.2Å
571	S	89.8	Confident	86.4	Confident	96 Å²	96	73.2 Å²	73.2	67%	0.671	37%	0.373	S	S	*	.	H	α-helix	trans	-61	-43.1	-178.7	-56	0	0	0	0	113.3	G569 R575	G569-S571 VanDerWaalsContact C-N 3.26Å; G569-S571 PolarHBondContact O-N 3.29Å; S571-R575 PolarHBondContact O-N 2.93Å
572	D	90.2	Very high	85.2	Confident	72 Å²	72	81.2 Å²	81.2	39%	0.385	40%	0.403	S	S	.	.	H	α-helix	trans	-79.2	-33.2	179.2	-64.6	-45.3	0	0	0	111.7	M568 G569 V570 R575 L576	M568-D572 HydrophobicContact CE-CB 3.75Å; M568-D572 WeakPolarHBondContact CE-O 3.19Å; G569-D572 PolarHBondContact O-N 2.89Å; G569-D572 VanDerWaalsContact O-N 3.13Å; V570-D572 PolarHBondContact O-N 2.9Å; D572-R575 WeakPolarHBondContact O-CB 3.15Å; D572-R575 PolarHBondContact O-N 3.48Å; D572-R575 IonicContact OD1-CZ 3.22Å; D572-R575 IonicContact OD1-NH1 3.44Å; D572-R575 PolarHBondContact OD1-NH1 3.1Å; D572-R575 IonicContact OD1-NH2 2.71Å; D572-R575 PolarHBondContact OD1-NH2 3.37Å; D572-L576 PolarHBondContact O-N 3.27Å
573	M	90.2	Very high	84.4	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-47.3	172.1	-177.9	65.1	78.7	0	0	111.3	L529 V535 I557 V560 T565 G569 V570 R575 L576 L577	L529-M573 HydrophobicContact CD1-CG 3.7Å; V535-M573 HydrophobicContact CB-CE 4.16Å; V535-M573 HydrophobicContact CG1-CG 4.44Å; V535-M573 HydrophobicContact CG2-CB 4.03Å; V535-M573 HydrophobicContact CG2-CE 4.23Å; V535-M573 HydrophobicContact CG2-CG 4.36Å; I557-M573 HydrophobicContact CB-CE 3.85Å; I557-M573 HydrophobicContact CG2-CE 3.62Å; I557-M573 HydrophobicContact CG2-SD 4.13Å; V560-M573 HydrophobicContact CG2-CE 4.46Å; V560-M573 HydrophobicContact CG2-SD 3.71Å; T565-M573 VanDerWaalsContact CB-CE 3.47Å; T565-M573 HydrophobicContact CG2-CE 4.01Å; T565-M573 HydrophobicContact CG2-SD 4.38Å; T565-M573 WeakPolarHBondContact OG1-CE 3.36Å; G569-M573 WeakPolarHBondContact O-CB 3.4Å; G569-M573 PolarHBondContact O-N 2.95Å; V570-M573 PolarHBondContact O-N 3.09Å; M573-R575 VanDerWaalsContact C-N 3.26Å; M573-R575 PolarHBondContact O-N 2.88Å; M573-L576 WeakPolarHBondContact O-CB 3.33Å; M573-L576 PolarHBondContact O-N 3.5Å; M573-L576 VanDerWaalsContact O-N 3.08Å; M573-L577 HydrophobicContact CG-CD1 3.98Å; M573-L577 WeakPolarHBondContact O-CG 3.26Å; M573-L577 PolarHBondContact O-N 3.25Å; M573-L577 HydrophobicContact SD-CD1 4.29Å; M573-L577 HydrophobicContact SD-CG 4.45Å
574	M	87.6	Confident	83.8	Confident	90 Å²	90	76.6 Å²	76.6	44%	0.443	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-32.7	177.1	-70	-60	-67.7	0	0	111.9	L529 V570 L576 L577 K578	L529-M574 HydrophobicContact CD1-SD 3.83Å; L529-M574 HydrophobicContact CG-SD 4.44Å; V570-M574 HydrophobicContact CG1-CG 3.97Å; V570-M574 WeakPolarHBondContact O-CB 3.32Å; V570-M574 WeakPolarHBondContact O-CG 3.35Å; V570-M574 PolarHBondContact O-N 3.2Å; M574-L576 VanDerWaalsContact C-N 3.35Å; M574-L577 PolarHBondContact O-N 3.29Å; M574-K578 WeakPolarHBondContact O-CB 3.47Å; M574-K578 PolarHBondContact O-N 3.35Å; M574-K578 VanDerWaalsContact O-N 3.11Å
575	R	86.9	Confident	83.7	Confident	156 Å²	156	74.7 Å²	74.7	59%	0.589	37%	0.373	S	S	*	.	H	α-helix	trans	-64.7	-42.3	172.6	-167.4	-175.9	-59.4	124.8	9	110.9	S571 D572 M573 L577 K578	S571-R575 PolarHBondContact O-N 2.93Å; D572-R575 WeakPolarHBondContact O-CB 3.15Å; D572-R575 PolarHBondContact O-N 3.48Å; D572-R575 IonicContact OD1-CZ 3.22Å; D572-R575 IonicContact OD1-NH1 3.44Å; D572-R575 PolarHBondContact OD1-NH1 3.1Å; D572-R575 IonicContact OD1-NH2 2.71Å; D572-R575 PolarHBondContact OD1-NH2 3.37Å; M573-R575 VanDerWaalsContact C-N 3.26Å; M573-R575 PolarHBondContact O-N 2.88Å; R575-L577 VanDerWaalsContact C-N 3.33Å; R575-L577 PolarHBondContact O-N 2.86Å; R575-K578 WeakPolarHBondContact O-CB 3.12Å; R575-K578 PolarHBondContact O-N 3.23Å
576	L	87.3	Confident	83.5	Confident	39 Å²	39	77.6 Å²	77.6	20%	0.204	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-36	178.9	-154.8	84.1	0	0	0	112.5	V560 K563 T565 M568 D572 M573 M574 K578	V560-L576 HydrophobicContact CB-CD2 3.37Å; V560-L576 HydrophobicContact CG1-CD2 3.51Å; V560-L576 HydrophobicContact CG1-CG 4.18Å; V560-L576 HydrophobicContact CG2-CD2 3.9Å; K563-L576 HydrophobicContact CD-CD1 3.73Å; K563-L576 HydrophobicContact CD-CD2 4.26Å; T565-L576 HydrophobicContact CG2-CD2 3.94Å; M568-L576 HydrophobicContact CE-CB 4.39Å; M568-L576 HydrophobicContact CE-CD2 4.37Å; D572-L576 PolarHBondContact O-N 3.27Å; M573-L576 WeakPolarHBondContact O-CB 3.33Å; M573-L576 PolarHBondContact O-N 3.5Å; M573-L576 VanDerWaalsContact O-N 3.08Å; M574-L576 VanDerWaalsContact C-N 3.35Å; L576-K578 VanDerWaalsContact C-N 3.33Å
577	L	85.2	Confident	83.6	Confident	6 Å²	6	76.8 Å²	76.8	3%	0.031	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.1	178.1	-63.3	172.7	0	0	0	113.6	L525 F527 L529 V560 M573 M574 R575 V580 I585 I587	L525-L577 HydrophobicContact CD1-CB 3.87Å; L525-L577 HydrophobicContact CD1-CD1 4.14Å; F527-L577 HydrophobicContact CE2-CD1 4.47Å; L529-L577 HydrophobicContact CD1-CD1 3.92Å; V560-L577 HydrophobicContact CG1-CD2 4.04Å; V560-L577 HydrophobicContact CG2-CD2 4.3Å; M573-L577 HydrophobicContact CG-CD1 3.98Å; M573-L577 WeakPolarHBondContact O-CG 3.26Å; M573-L577 PolarHBondContact O-N 3.25Å; M573-L577 HydrophobicContact SD-CD1 4.29Å; M573-L577 HydrophobicContact SD-CG 4.45Å; M574-L577 PolarHBondContact O-N 3.29Å; R575-L577 VanDerWaalsContact C-N 3.33Å; R575-L577 PolarHBondContact O-N 2.86Å; L577-V580 WeakPolarHBondContact O-CG2 3.44Å; L577-I585 HydrophobicContact CD2-CG2 4.07Å; L577-I587 HydrophobicContact CD2-CG2 4.01Å
578	K	78.5	Confident	83.6	Confident	172 Å²	172	72.9 Å²	72.9	75%	0.748	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.8	-178.9	-166.9	176	-179.7	-176.1	0	113.1	M574 R575 L576 V580	M574-K578 WeakPolarHBondContact O-CB 3.47Å; M574-K578 PolarHBondContact O-N 3.35Å; M574-K578 VanDerWaalsContact O-N 3.11Å; R575-K578 WeakPolarHBondContact O-CB 3.12Å; R575-K578 PolarHBondContact O-N 3.23Å; L576-K578 VanDerWaalsContact C-N 3.33Å; K578-V580 PolarHBondContact O-N 3.26Å
579	D	66.8	Low	83.7	Confident	132 Å²	132	71.7 Å²	71.7	71%	0.706	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	27	-177.3	-59.8	-26	0	0	0	111.8
580	V	70.3	Confident	83.8	Confident	18 Å²	18	71.1 Å²	71.1	11%	0.109	36%	0.357	C	S	.	.			trans	-88.7	109.3	-177.4	-178.5	0	0	0	0	109.2	L577 K578 I585	L577-V580 WeakPolarHBondContact O-CG2 3.44Å; K578-V580 PolarHBondContact O-N 3.26Å; V580-I585 HydrophobicContact CB-CG2 4.33Å; V580-I585 HydrophobicContact CG1-CB 4.04Å; V580-I585 HydrophobicContact CG1-CG2 3.93Å; V580-I585 HydrophobicContact CG2-CB 3.82Å; V580-I585 HydrophobicContact CG2-CD1 4.33Å; V580-I585 HydrophobicContact CG2-CG2 3.36Å
581	D	66.4	Low	83.8	Confident	127 Å²	127	70 Å²	70	68%	0.679	35%	0.351	S	S	*	.			trans	-72.1	176.9	174.7	-69.2	-31.6	0	0	0	111.9	E583 G584	D581-E583 PolarHBondContact O-N 3.5Å; D581-G584 PolarHBondContact O-N 2.95Å
582	E	64.4	Low	83.8	Confident	193 Å²	193	68.3 Å²	68.3	90%	0.902	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-19	177.9	-66.8	-171.5	178.6	0	0	113.7	G584	E582-G584 PolarHBondContact O-N 3.11Å
583	E	67.8	Low	83.6	Confident	175 Å²	175	68.4 Å²	68.4	82%	0.818	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.1	175.2	-64	-173.3	169.8	0	0	113.1	Q517 D581	Q517-E583 PolarHBondContact NE2-O 3.02Å; D581-E583 PolarHBondContact O-N 3.5Å
584	G	78.4	Confident	82.5	Confident	20 Å²	20	75.7 Å²	75.7	21%	0.206	38%	0.375	C	S	.	.			trans	74.6	165.6	-178.9	0	0	0	0	0	114.1	Q517 V518 D581 E582	Q517-G584 PolarHBondContact NE2-O 2.83Å; V518-G584 CarbonylContact O-C 3.44Å; V518-G584 WeakPolarHBondContact O-CA 3.36Å; D581-G584 PolarHBondContact O-N 2.95Å; E582-G584 PolarHBondContact O-N 3.11Å
585	I	88.9	Confident	81.2	Confident	40 Å²	40	75.2 Å²	75.2	21%	0.205	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138	176.9	-164.2	160.4	0	0	0	110.5	V518 V560 L577 V580 I587	V518-I585 HydrophobicContact CB-CG2 4.29Å; V518-I585 PolarHBondContact N-O 2.82Å; V518-I585 PolarHBondContact O-N 2.85Å; V560-I585 HydrophobicContact CG1-CD1 3.37Å; V560-I585 HydrophobicContact CG1-CG1 3.85Å; V560-I585 HydrophobicContact CG1-CG2 4.48Å; L577-I585 HydrophobicContact CD2-CG2 4.07Å; V580-I585 HydrophobicContact CB-CG2 4.33Å; V580-I585 HydrophobicContact CG1-CB 4.04Å; V580-I585 HydrophobicContact CG1-CG2 3.93Å; V580-I585 HydrophobicContact CG2-CB 3.82Å; V580-I585 HydrophobicContact CG2-CD1 4.33Å; V580-I585 HydrophobicContact CG2-CG2 3.36Å; I585-I587 HydrophobicContact CG2-CG2 4.32Å
586	E	91.3	Very high	79.1	Confident	60 Å²	60	73 Å²	73	28%	0.28	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.7	172	-170.5	-171	85.4	0	0	109	K515 G561	K515-E586 HydrophobicContact CB-CG 4.05Å; K515-E586 VanDerWaalsContact CD-OE2 3.3Å; K515-E586 WeakPolarHBondContact CD-OE2 3.19Å; K515-E586 HydrophobicContact CG-CG 4.25Å; K515-E586 WeakPolarHBondContact CG-OE2 3.37Å; K515-E586 IonicContact NZ-OE1 3.11Å; K515-E586 PolarHBondContact NZ-OE1 2.88Å; K515-E586 IonicContact NZ-OE2 2.8Å; K515-E586 PolarHBondContact NZ-OE2 2.72Å; G561-E586 PolarHBondContact N-O 3.04Å
587	I	93.7	Very high	77.2	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.7	166.1	71.6	170.7	0	0	0	109.7	K515 I516 V518 L551 I557 A559 V560 L577 I585 V589	K515-I587 CarbonylContact C-O 3.57Å; K515-I587 WeakPolarHBondContact CA-O 3.12Å; I516-I587 HydrophobicContact CB-CD1 4.44Å; I516-I587 HydrophobicContact CB-CG1 3.83Å; I516-I587 HydrophobicContact CG2-CG1 4.43Å; I516-I587 PolarHBondContact N-O 2.83Å; I516-I587 PolarHBondContact O-N 2.8Å; V518-I587 HydrophobicContact CG2-CB 4.49Å; V518-I587 HydrophobicContact CG2-CD1 3.61Å; V518-I587 HydrophobicContact CG2-CG1 3.74Å; V518-I587 HydrophobicContact CG2-CG2 3.98Å; L551-I587 HydrophobicContact CD1-CD1 4.3Å; I557-I587 HydrophobicContact CD1-CD1 4.33Å; I557-I587 HydrophobicContact CG1-CD1 4.45Å; I557-I587 HydrophobicContact CG2-CB 4.46Å; A559-I587 WeakPolarHBondContact O-CA 3.47Å; V560-I587 HydrophobicContact CB-CG2 4.43Å; V560-I587 HydrophobicContact CG1-CG2 4.24Å; V560-I587 HydrophobicContact CG2-CB 4.4Å; V560-I587 HydrophobicContact CG2-CG2 3.9Å; L577-I587 HydrophobicContact CD2-CG2 4.01Å; I585-I587 HydrophobicContact CG2-CG2 4.32Å; I587-V589 HydrophobicContact CD1-CG1 3.77Å; I587-V589 HydrophobicContact CG1-CG1 4.07Å
588	Q	94.8	Very high	74.8	Confident	52 Å²	52	81.3 Å²	81.3	24%	0.243	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.1	170.4	-62.7	-175.7	12.5	0	0	109.9	R514 K515 V558 A559	R514-Q588 CarbonylContact O-C 3.59Å; R514-Q588 VanDerWaalsContact O-CA 3.32Å; R514-Q588 WeakPolarHBondContact O-CA 3.08Å; K515-Q588 HydrophobicContact CG-CG 4.07Å; V558-Q588 HydrophobicContact CG2-CB 3.87Å; V558-Q588 WeakPolarHBondContact CG2-O 3.49Å; V558-Q588 PolarHBondContact N-O 2.93Å; A559-Q588 HydrophobicContact CB-CB 4.04Å; A559-Q588 HydrophobicContact CB-CG 4.28Å; A559-Q588 PolarHBondContact N-O 3.03Å; A559-Q588 PolarHBondContact O-N 2.86Å
589	V	95.2	Very high	72.6	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.2	-177.7	-57.3	0	0	0	0	112.7	R514 I516 L551 D555 Y556 I557 I587	R514-V589 HydrophobicContact CB-CG2 4.17Å; R514-V589 PolarHBondContact N-O 2.92Å; R514-V589 PolarHBondContact O-N 2.8Å; I516-V589 HydrophobicContact CD1-CG2 4.46Å; I516-V589 HydrophobicContact CG1-CG2 3.74Å; L551-V589 HydrophobicContact CD1-CB 4.43Å; L551-V589 HydrophobicContact CD1-CG1 3.79Å; L551-V589 HydrophobicContact CD1-CG2 4.2Å; D555-V589 HydrophobicContact CB-CB 4.16Å; D555-V589 HydrophobicContact CB-CG2 4.46Å; Y556-V589 CarbonylContact O-C 3.57Å; Y556-V589 WeakPolarHBondContact O-CA 3.38Å; I557-V589 HydrophobicContact CG1-CG1 4.12Å; I587-V589 HydrophobicContact CD1-CG1 3.77Å; I587-V589 HydrophobicContact CG1-CG1 4.07Å
590	V	94.7	Very high	71.2	Confident	7 Å²	7	80 Å²	80	4%	0.042	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.9	172.4	-61.8	0	0	0	0	110.4	F504 W510 P513 Y556 V558	F504-V590 HydrophobicContact CE1-CG2 4.14Å; F504-V590 HydrophobicContact CZ-CG2 4.39Å; W510-V590 HydrophobicContact CB-CB 4.25Å; P513-V590 HydrophobicContact CB-CG1 4.38Å; P513-V590 HydrophobicContact CG-CG1 4.18Å; Y556-V590 PolarHBondContact N-O 3.11Å; Y556-V590 PolarHBondContact O-N 2.48Å; V558-V590 HydrophobicContact CG1-CG1 4.27Å; V558-V590 HydrophobicContact CG1-CG2 3.73Å; V558-V590 HydrophobicContact CG2-CG1 4.3Å
591	S	92.2	Very high	69.4	Low	16 Å²	16	85.5 Å²	85.5	11%	0.112	48%	0.477	C	S	.	.			trans	-100.2	140.9	171.9	-46.4	0	0	0	0	110.3	W510 T511 R514 D555 I593	W510-S591 CarbonylContact C-O 3.51Å; W510-S591 WeakPolarHBondContact CA-O 2.99Å; T511-S591 PolarHBondContact N-O 3.33Å; T511-S591 PolarHBondContact OG1-N 3.18Å; T511-S591 VanDerWaalsContact OG1-N 3.09Å; R514-S591 VanDerWaalsContact CZ-OG 3.29Å; R514-S591 PolarHBondContact NH1-OG 2.8Å; R514-S591 PolarHBondContact NH2-OG 2.88Å; D555-S591 WeakPolarHBondContact OD1-CB 3.4Å; D555-S591 PolarHBondContact OD1-OG 3.13Å; S591-I593 PolarHBondContact O-N 2.98Å
592	V	88.4	Confident	67.9	Low	59 Å²	59	88.4 Å²	88.4	36%	0.358	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.3	167.1	-167.3	0	0	0	0	109.5	W510 Y556	W510-V592 HydrophobicContact CE3-CB 4.1Å; W510-V592 HydrophobicContact CE3-CG1 4.03Å; W510-V592 HydrophobicContact CE3-CG2 3.8Å; W510-V592 HydrophobicContact CZ3-CB 4.11Å; W510-V592 HydrophobicContact CZ3-CG1 3.77Å; W510-V592 HydrophobicContact CZ3-CG2 3.59Å; Y556-V592 HydrophobicContact CD2-CG2 4.06Å; Y556-V592 HydrophobicContact CE2-CG2 3.54Å
593	I	85.9	Confident	66.4	Low	75 Å²	75	84.1 Å²	84.1	39%	0.385	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.4	171.4	-59	174.5	0	0	0	106.9	K509 W510 T511 S591 N595	K509-I593 HydrophobicContact CB-CB 4.28Å; K509-I593 PolarHBondContact O-N 3.03Å; W510-I593 VanDerWaalsContact C-CD1 3.45Å; W510-I593 VanDerWaalsContact O-CD1 3.3Å; W510-I593 WeakPolarHBondContact O-CD1 3.38Å; T511-I593 HydrophobicContact CG2-CD1 4.25Å; T511-I593 HydrophobicContact CG2-CG1 4.03Å; S591-I593 PolarHBondContact O-N 2.98Å; I593-N595 PolarHBondContact O-N 3.41Å
594	D	69	Low	64.5	Low	152 Å²	152	80.8 Å²	80.8	81%	0.813	48%	0.477	S	S	*	.			trans	-62.4	98.4	174	-88.4	-22.4	0	0	0	110.2	S596	D594-S596 PolarHBondContact O-N 2.96Å
595	N	58.7	Low	62.2	Low	81 Å²	81	86.3 Å²	86.3	43%	0.433	51%	0.507	S	S	.	.			trans	-80.4	94.8	162	-71.3	-33.7	0	0	0	106.8	K509 I593 P597	K509-N595 WeakPolarHBondContact CD-ND2 3.4Å; K509-N595 WeakPolarHBondContact CG-ND2 3.36Å; I593-N595 PolarHBondContact O-N 3.41Å; N595-P597 WeakPolarHBondContact O-CD 3.14Å
596	S	43.4	Very low	59.5	Low	108 Å²	108	90.1 Å²	90.1	76%	0.755	52%	0.523	S	S	*	.			trans	-86.5	89.6	153.5	50.9	0	0	0	0	108.2	D594	D594-S596 PolarHBondContact O-N 2.96Å
597	P	47.5	Very low	56.3	Low	97 Å²	97	92 Å²	92	63%	0.63	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-65.5	140	163.5	28.8	-31.9	0	0	0	107.9	N595 M599	N595-P597 WeakPolarHBondContact O-CD 3.14Å; P597-M599 PolarHBondContact O-N 2.89Å; P597-M599 VanDerWaalsContact O-N 3.1Å
598	P	35	Very low	53.2	Low	123 Å²	123	95.2 Å²	95.2	80%	0.799	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-57.4	121.7	161.3	24.7	-29.9	0	0	0	107.2	P600	P598-P600 WeakPolarHBondContact O-CD 3.25Å
599	M	32.3	Very low	50	Low	163 Å²	163	99.4 Å²	99.4	80%	0.803	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-46.6	124.7	173.2	-76.6	-84.6	-75	0	0	109.6	P597 T601	P597-M599 PolarHBondContact O-N 2.89Å; P597-M599 VanDerWaalsContact O-N 3.1Å; M599-T601 PolarHBondContact O-N 3.4Å; M599-T601 VanDerWaalsContact O-N 3.13Å
600	P	36	Very low	47	Very low	115 Å²	115	105.7 Å²	105.7	75%	0.747	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-63	118	158.7	-10.7	25.5	0	0	0	106.7	P598 K602	P598-P600 WeakPolarHBondContact O-CD 3.25Å; P600-K602 PolarHBondContact O-N 2.89Å
601	T	33.7	Very low	43.9	Very low	133 Å²	133	109.3 Å²	109.3	82%	0.816	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-57.7	119.3	172.8	20.5	0	0	0	0	109.9	M599	M599-T601 PolarHBondContact O-N 3.4Å; M599-T601 VanDerWaalsContact O-N 3.13Å
602	K	35.7	Very low	41.2	Very low	188 Å²	188	115.1 Å²	115.1	82%	0.817	68%	0.68	S	S	*	*	S	Bend	trans	30.2	121.4	151.2	-67.4	-176.5	179.5	179.9	0	118.5	P600	P600-K602 PolarHBondContact O-N 2.89Å
603	S	31.6	Very low	38.6	Very low	102 Å²	102	115.3 Å²	115.3	71%	0.713	68%	0.681	S	S	*	*			trans	68	90.6	131.2	-49.1	0	0	0	0	116.9	T605	S603-T605 VanDerWaalsContact C-N 3.33Å; S603-T605 PolarHBondContact O-N 2.64Å; S603-T605 VanDerWaalsContact O-N 3.13Å
604	A	27.6	Very low	36.7	Very low	105 Å²	105	114.6 Å²	114.6	87%	0.868	67%	0.674	S	S	*	*			trans	-72.3	95.3	147.6	0	0	0	0	0	108	F606	A604-F606 PolarHBondContact O-N 3.33Å
605	T	30.7	Very low	35.5	Very low	136 Å²	136	109 Å²	109	83%	0.834	65%	0.647	S	S	*	*			trans	-63.3	102.8	158.9	-16.3	0	0	0	0	106.3	S603 S607	S603-T605 VanDerWaalsContact C-N 3.33Å; S603-T605 PolarHBondContact O-N 2.64Å; S603-T605 VanDerWaalsContact O-N 3.13Å; T605-S607 PolarHBondContact O-N 3.01Å; T605-S607 VanDerWaalsContact O-N 3.08Å
606	F	31.9	Very low	34.7	Very low	120 Å²	120	108.5 Å²	108.5	53%	0.526	64%	0.643	S	S	.	*			trans	-71.3	101.5	175.5	-178.7	-102.4	0	0	0	108.3	A604 G608 L610	A604-F606 PolarHBondContact O-N 3.33Å; F606-G608 PolarHBondContact O-N 3.41Å; F606-L610 HydrophobicContact CZ-CD1 4.32Å
607	S	25.4	Very low	34.9	Very low	99 Å²	99	105.9 Å²	105.9	69%	0.692	62%	0.62	S	S	*	*			trans	-61.6	123	166.3	55.1	0	0	0	0	108.6	T605 N609	T605-S607 PolarHBondContact O-N 3.01Å; T605-S607 VanDerWaalsContact O-N 3.08Å; S607-N609 VanDerWaalsContact C-N 3.3Å; S607-N609 PolarHBondContact O-N 3.31Å
608	G	28.3	Very low	34.7	Very low	69 Å²	69	101.8 Å²	101.8	71%	0.711	59%	0.593	S	S	*	*	S	Bend	trans	-62	76.6	-172.4	0	0	0	0	0	115.4	F606	F606-G608 PolarHBondContact O-N 3.41Å
609	N	27.4	Very low	35.3	Very low	139 Å²	139	98.1 Å²	98.1	74%	0.743	57%	0.567	S	S	*	*			trans	-145.4	100.6	161.5	-84.8	-37.5	0	0	0	107.8	S607 P611	S607-N609 VanDerWaalsContact C-N 3.3Å; S607-N609 PolarHBondContact O-N 3.31Å; N609-P611 WeakPolarHBondContact O-CD 3.4Å; N609-P611 VanDerWaalsContact O-N 3.14Å
610	L	31.1	Very low	36	Very low	132 Å²	132	93.1 Å²	93.1	69%	0.691	55%	0.552	S	S	*	*			trans	-56.8	113.7	172.3	-137	88	0	0	0	108.6	F606 K612	F606-L610 HydrophobicContact CZ-CD1 4.32Å; L610-K612 PolarHBondContact O-N 3.09Å
611	P	29.5	Very low	36.4	Very low	84 Å²	84	93.5 Å²	93.5	55%	0.545	54%	0.543	S	S	.	.			trans	-72.7	121.8	172.2	30	-30.3	0	0	0	107.7	N609 T613	N609-P611 WeakPolarHBondContact O-CD 3.4Å; N609-P611 VanDerWaalsContact O-N 3.14Å; P611-T613 VanDerWaalsContact CB-OG1 3.29Å; P611-T613 WeakPolarHBondContact CB-OG1 3.37Å; P611-T613 PolarHBondContact O-N 2.79Å; P611-T613 PolarHBondContact O-OG1 3.37Å
612	K	35.9	Very low	36.8	Very low	138 Å²	138	91.1 Å²	91.1	60%	0.6	53%	0.525	S	S	*	.			trans	-63	59.8	172.1	-62.5	-179.2	-179	-177.4	0	111.4	L610 S638 L640	L610-K612 PolarHBondContact O-N 3.09Å; K612-S638 PolarHBondContact O-OG 3.45Å; K612-L640 HydrophobicContact CD-CB 4.39Å
613	T	33.7	Very low	37	Very low	63 Å²	63	89 Å²	89	39%	0.387	52%	0.523	S	S	.	.			trans	-106.6	104.7	-170.7	-3.2	0	0	0	0	109.8	P611	P611-T613 VanDerWaalsContact CB-OG1 3.29Å; P611-T613 WeakPolarHBondContact CB-OG1 3.37Å; P611-T613 PolarHBondContact O-N 2.79Å; P611-T613 PolarHBondContact O-OG1 3.37Å
614	Y	46.6	Very low	37.2	Very low	60 Å²	60	93 Å²	93	24%	0.235	53%	0.53	C	S	.	.			trans	-60.8	144.9	167.6	-62.7	-88.4	0	0	0	111.5	M50 V204 M616 F639 L640	M50-Y614 HydrophobicContact CE-CD1 4.3Å; M50-Y614 HydrophobicContact CE-CE1 3.79Å; V204-Y614 HydrophobicContact CG1-CD1 3.84Å; V204-Y614 HydrophobicContact CG1-CE1 3.57Å; V204-Y614 HydrophobicContact CG2-CE1 4.43Å; Y614-M616 PolarHBondContact O-N 3.1Å; Y614-M616 VanDerWaalsContact O-N 3.09Å; Y614-F639 HydrophobicContact CD2-CB 3.8Å; Y614-F639 HydrophobicContact CE2-CB 3.89Å; Y614-L640 HydrophobicContact CE2-CB 4.49Å; Y614-L640 HydrophobicContact CE2-CD1 4.04Å; Y614-L640 HydrophobicContact CE2-CG 3.67Å; Y614-L640 WeakPolarHBondContact OH-CD1 3.29Å; Y614-L640 WeakPolarHBondContact OH-CD2 3.36Å; Y614-L640 WeakPolarHBondContact OH-CG 3.46Å
615	S	43	Very low	37.6	Very low	33 Å²	33	95 Å²	95	23%	0.231	53%	0.527	C	S	.	.			trans	-75.4	97.9	170.6	-165.9	0	0	0	0	109.2	C207 I617 C618	C207-S615 PolarHBondContact O-OG 2.98Å; C207-S615 VanDerWaalsContact O-OG 3.09Å; S615-I617 PolarHBondContact O-N 3.03Å; S615-I617 WeakPolarHBondContact OG-CB 3.1Å; S615-C618 WeakPolarHBondContact O-CB 3.44Å; S615-C618 PolarHBondContact O-N 3.4Å
616	M	42.2	Very low	37.8	Very low	71 Å²	71	98.1 Å²	98.1	35%	0.35	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-16.9	169.7	-73.8	-67	-60.4	0	0	112.6	Y614 C618 L619 A620 F639	Y614-M616 PolarHBondContact O-N 3.1Å; Y614-M616 VanDerWaalsContact O-N 3.09Å; M616-C618 VanDerWaalsContact C-N 3.3Å; M616-C618 PolarHBondContact O-N 3.4Å; M616-L619 HydrophobicContact CE-CD1 4.26Å; M616-L619 PolarHBondContact O-N 2.95Å; M616-L619 HydrophobicContact SD-CD1 3.8Å; M616-A620 PolarHBondContact O-N 2.98Å; M616-F639 HydrophobicContact SD-CE2 4Å; M616-F639 HydrophobicContact SD-CZ 4.16Å
617	I	48.8	Very low	37.8	Very low	53 Å²	53	97.7 Å²	97.7	27%	0.272	54%	0.54	S	S	.	.	H	α-helix	trans	-58.8	-39.9	174.2	-56.7	173.8	0	0	0	110.7	F194 S615 L619 A620	F194-I617 HydrophobicContact CD1-CG2 3.69Å; F194-I617 HydrophobicContact CE1-CG2 3.45Å; F194-I617 VanDerWaalsContact CE1-CG2 3.45Å; F194-I617 HydrophobicContact CZ-CG2 4.28Å; S615-I617 PolarHBondContact O-N 3.03Å; S615-I617 WeakPolarHBondContact OG-CB 3.1Å; I617-L619 PolarHBondContact O-N 2.71Å; I617-L619 VanDerWaalsContact O-N 3.16Å; I617-A620 PolarHBondContact O-N 3.16Å
618	C	43.2	Very low	38	Very low	12 Å²	12	98.5 Å²	98.5	8%	0.081	55%	0.546	C	S	.	.	H	α-helix	trans	-59.2	-27.7	174.7	-60.7	0	0	0	0	113.2	R51 P205 C207 S615 M616	R51-C618 PolarHBondContact NH2-O 3.04Å; P205-C618 HydrophobicContact CB-CB 4.41Å; P205-C618 HydrophobicContact CG-CB 4.21Å; C207-C618 HydrophobicContact CB-CB 4.42Å; C207-C618 WeakPolarHBondContact CB-SG 3.28Å; C207-C618 PolarHBondContact N-SG 3.46Å; C207-C618 VanDerWaalsContact N-SG 3.35Å; S615-C618 WeakPolarHBondContact O-CB 3.44Å; S615-C618 PolarHBondContact O-N 3.4Å; M616-C618 VanDerWaalsContact C-N 3.3Å; M616-C618 PolarHBondContact O-N 3.4Å
619	L	46.7	Very low	38.2	Very low	45 Å²	45	104.9 Å²	104.9	24%	0.236	55%	0.554	C	S	.	*	H	α-helix	trans	-91.3	-13.2	-173	-53.2	-178.8	0	0	0	112.5	R51 M616 I617	R51-L619 HydrophobicContact CG-CB 4.31Å; R51-L619 HydrophobicContact CG-CD2 3.63Å; R51-L619 HydrophobicContact CG-CG 4.42Å; M616-L619 HydrophobicContact CE-CD1 4.26Å; M616-L619 PolarHBondContact O-N 2.95Å; M616-L619 HydrophobicContact SD-CD1 3.8Å; I617-L619 PolarHBondContact O-N 2.71Å; I617-L619 VanDerWaalsContact O-N 3.16Å
620	A	47.4	Very low	38.4	Very low	59 Å²	59	105.6 Å²	105.6	49%	0.488	56%	0.564	S	S	.	*	H	α-helix	trans	-108.5	-3.6	-172.1	0	0	0	0	0	115.1	M616 I617	M616-A620 PolarHBondContact O-N 2.98Å; I617-A620 PolarHBondContact O-N 3.16Å
621	H	45	Very low	38.4	Very low	123 Å²	123	110.4 Å²	110.4	57%	0.569	57%	0.573	S	S	*	*			trans	-122.5	28	-168.2	-88.3	31.9	0	0	0	114.8	F194	F194-H621 AromaticContact CE2-CD2 3.93Å; F194-H621 AromaticContact CE2-NE2 3.85Å
622	N	41.5	Very low	38.4	Very low	82 Å²	82	115.9 Å²	115.9	44%	0.439	59%	0.588	S	S	.	*			trans	-110	17.8	176.2	-99.9	43.1	0	0	0	113.3	K120 E624	K120-N622 PolarHBondContact NZ-OD1 3.37Å; N622-E624 VanDerWaalsContact C-N 3.33Å; N622-E624 PolarHBondContact O-N 3.2Å; N622-E624 VanDerWaalsContact O-N 3.15Å
623	D	38.8	Very low	38.1	Very low	144 Å²	144	113.9 Å²	113.9	77%	0.77	59%	0.587	S	S	*	*			trans	-82.2	86.2	168.5	-70.5	-17.2	0	0	0	107.5	D625	D623-D625 PolarHBondContact O-N 3.14Å
624	E	36.7	Very low	37.8	Very low	185 Å²	185	117 Å²	117	86%	0.864	60%	0.6	S	S	*	*			trans	-61.4	128.3	151.1	-69.9	-170.1	175.6	0	0	106	N622	N622-E624 VanDerWaalsContact C-N 3.33Å; N622-E624 PolarHBondContact O-N 3.2Å; N622-E624 VanDerWaalsContact O-N 3.15Å
625	D	36.1	Very low	37	Very low	149 Å²	149	124.1 Å²	124.1	80%	0.797	63%	0.633	S	S	*	*	S	Bend	trans	83	70.6	-169.3	-54.8	-27.7	0	0	0	116.7	D623	D623-D625 PolarHBondContact O-N 3.14Å
626	K	34.9	Very low	36.6	Very low	200 Å²	200	130.3 Å²	130.3	87%	0.87	66%	0.655	S	S	*	*				-178.7	149.7	125.9	-97	155.1	-168.2	177.2	0	114.8
627	S	31.3	Very low	35.9	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	67%	0.673	S	S	*	*			trans	-52.2	142.8	179.4	59.6	0	0	0	0	115.2	K629	S627-K629 PolarHBondContact O-N 3.35Å
628	S	30.7	Very low	35.1	Very low	117 Å²	117	132.2 Å²	132.2	82%	0.818	68%	0.68	S	S	*	*			trans	-49.8	119.2	-179.5	54.8	0	0	0	0	115.7
629	K	31.6	Very low	34.9	Very low	203 Å²	203	133.2 Å²	133.2	88%	0.883	68%	0.683	S	S	*	*			trans	-133.5	122.5	149.2	-74.8	-170.6	179.7	178.6	0	110.5	S627 R631	S627-K629 PolarHBondContact O-N 3.35Å; K629-R631 PolarHBondContact O-N 2.7Å; K629-R631 VanDerWaalsContact O-N 3.09Å
630	T	32.3	Very low	34.1	Very low	153 Å²	153	134 Å²	134	94%	0.939	69%	0.687	S	S	*	*			trans	-60.9	101.6	-178	-31.8	0	0	0	0	111.1
631	R	30.6	Very low	33.4	Very low	233 Å²	233	136 Å²	136	88%	0.879	70%	0.698	S	S	*	*			trans	-103.4	112.8	175	-157.7	173.7	-171.4	169.6	2.6	110	K629 V633	K629-R631 PolarHBondContact O-N 2.7Å; K629-R631 VanDerWaalsContact O-N 3.09Å; R631-V633 PolarHBondContact O-N 3.1Å
632	K	29.5	Very low	32.9	Very low	199 Å²	199	136.4 Å²	136.4	87%	0.865	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-62.8	119.4	174.4	-74.4	-177.9	177.5	177.8	0	110.1
633	V	29.6	Very low	32.4	Very low	96 Å²	96	135.5 Å²	135.5	58%	0.582	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-83.8	119.5	175.8	178.8	0	0	0	0	109.3	R631	R631-V633 PolarHBondContact O-N 3.1Å
634	I	27.3	Very low	32	Very low	130 Å²	130	136.8 Å²	136.8	67%	0.667	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-78.9	126.4	177.3	-61.9	171.9	0	0	0	109	K636	I634-K636 HydrophobicContact CG2-CG 4.19Å; I634-K636 PolarHBondContact O-N 2.99Å
635	K	29.6	Very low	31.7	Very low	209 Å²	209	137.2 Å²	137.2	91%	0.909	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.4	119.6	173.7	-67.9	178.8	178.8	178.1	0	109.8
636	K	34.2	Very low	31.3	Very low	162 Å²	162	137.4 Å²	137.4	70%	0.704	71%	0.711	S	S	*	*			trans	-136.4	155.6	175.6	-70	-173.9	179	-179.9	0	111.1	I634	I634-K636 HydrophobicContact CG2-CG 4.19Å; I634-K636 PolarHBondContact O-N 2.99Å
637	S	28.1	Very low	31	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	71%	0.711	S	S	*	*			trans	-74.3	156.8	-164.2	47	0	0	0	0	116.6
638	S	32	Very low	30.8	Very low	60 Å²	60	140.9 Å²	140.9	42%	0.42	72%	0.717	S	S	.	*			trans	-28.5	143.9	-176	172.2	0	0	0	0	120.5	K612	K612-S638 PolarHBondContact O-OG 3.45Å
639	F	38.1	Very low	30.7	Very low	33 Å²	33	145.6 Å²	145.6	15%	0.145	72%	0.722	C	S	.	*			trans	-117.2	7.2	-172.2	-81.2	-90.2	0	0	0	115.9	R53 A54 E57 Y614 M616	R53-F639 PolarHBondContact NH1-O 3.37Å; R53-F639 PolarHBondContact NH2-O 3.1Å; A54-F639 HydrophobicContact CB-CE1 4.18Å; E57-F639 VanDerWaalsContact OE2-CD1 3.28Å; E57-F639 WeakPolarHBondContact OE2-CD1 3.4Å; E57-F639 WeakPolarHBondContact OE2-CE1 3.25Å; Y614-F639 HydrophobicContact CD2-CB 3.8Å; Y614-F639 HydrophobicContact CE2-CB 3.89Å; M616-F639 HydrophobicContact SD-CE2 4Å; M616-F639 HydrophobicContact SD-CZ 4.16Å
640	L	31.9	Very low	30.5	Very low	61 Å²	61	141.5 Å²	141.5	32%	0.319	72%	0.719	S	S	.	*			trans	-121.1	99.4	173.4	-76.6	176.5	0	0	0	113.2	K612 Y614	K612-L640 HydrophobicContact CD-CB 4.39Å; Y614-L640 HydrophobicContact CE2-CB 4.49Å; Y614-L640 HydrophobicContact CE2-CD1 4.04Å; Y614-L640 HydrophobicContact CE2-CG 3.67Å; Y614-L640 WeakPolarHBondContact OH-CD1 3.29Å; Y614-L640 WeakPolarHBondContact OH-CD2 3.36Å; Y614-L640 WeakPolarHBondContact OH-CG 3.46Å
641	S	31.8	Very low	30.1	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	71%	0.713	S	S	*	*			trans	-119.6	94.2	147	62.2	0	0	0	0	107.6
642	W	34.8	Very low	29.9	Very low	132 Å²	132	133.6 Å²	133.6	50%	0.5	71%	0.712	S	S	.	*			trans	-94.9	120.5	159.4	-77.1	63.9	0	0	0	105.7	Q84	Q84-W642 HydrophobicContact CB-CH2 4.45Å
643	G	30.6	Very low	29.7	Very low	64 Å²	64	130.9 Å²	130.9	66%	0.66	71%	0.712	S	S	*	*	S	Bend	trans	139.5	124.7	179.9	0	0	0	0	0	113.7	K645	G643-K645 PolarHBondContact O-N 3Å
644	L	30.6	Very low	29.5	Very low	171 Å²	171	134.3 Å²	134.3	90%	0.895	73%	0.726	S	S	*	*			trans	-50.1	128.2	169.9	-94.2	78.2	0	0	0	110.3	N646	L644-N646 PolarHBondContact O-N 2.76Å
645	K	29.1	Very low	29.3	Very low	194 Å²	194	133.2 Å²	133.2	84%	0.843	73%	0.731	S	S	*	*			trans	-71.9	88.3	172.1	-71.9	179.7	178.7	174.1	0	110.1	G643	G643-K645 PolarHBondContact O-N 3Å
646	N	28.5	Very low	29	Very low	153 Å²	153	131.4 Å²	131.4	82%	0.818	73%	0.73	S	S	*	*			trans	-87.3	109.3	152.7	-86.9	-3.8	0	0	0	108.4	L644 M648	L644-N646 PolarHBondContact O-N 2.76Å; N646-M648 PolarHBondContact O-N 2.97Å
647	K	28.7	Very low	28.6	Very low	203 Å²	203	129.3 Å²	129.3	88%	0.883	73%	0.733	S	S	*	*			trans	-71.6	103.2	174.9	-80	178.7	175.5	174.3	0	109
648	M	28.3	Very low	28.5	Very low	181 Å²	181	130.3 Å²	130.3	89%	0.892	73%	0.734	S	S	*	*			trans	-125	124.9	145	-71	-151	105.3	0	0	108.5	N646	N646-M648 PolarHBondContact O-N 2.97Å
649	K	27.5	Very low	28.2	Very low	215 Å²	215	135.4 Å²	135.4	94%	0.935	76%	0.757	S	S	*	*			trans	-79.3	121.9	176.5	-70.5	176.6	175.4	179.1	0	107.4
650	S	26.7	Very low	27.5	Very low	117 Å²	117	140.5 Å²	140.5	82%	0.818	79%	0.786	S	S	*	*			trans	-114.3	130.1	166.1	-62.9	0	0	0	0	109.5
651	A	25.2	Very low	27.2	Very low	97 Å²	97	145.6 Å²	145.6	80%	0.802	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.4	147.9	-177.6	0	0	0	0	0	111.8
652	S	25.2	Very low	26.9	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-63.6	129.3	-179	-26.8	0	0	0	0	111.9
653	T	25.4	Very low	26.3	Very low	142 Å²	142	144 Å²	144	87%	0.871	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-93.2	123.7	165.8	37.4	0	0	0	0	110.4
654	L	25.4	Very low	26.1	Very low	168 Å²	168	146.1 Å²	146.1	88%	0.88	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-70.6	142.1	171.6	-89.9	139.8	0	0	0	110.7
655	S	24.2	Very low	25.8	Very low	108 Å²	108	145.7 Å²	145.7	76%	0.755	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-52.6	135.4	169.2	41.9	0	0	0	0	113.6
656	L	21.9	Very low	25.5	Very low	170 Å²	170	141.6 Å²	141.6	89%	0.89	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-80.8	138	165.6	-77.6	157	0	0	0	110.5
657	P	26.3	Very low	25.3	Very low	119 Å²	119	145 Å²	145	77%	0.773	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-89.7	147.6	165.8	33.1	-26.9	0	0	0	111.7
658	T	27	Very low	25.1	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73	137.9	165.5	43.9	0	0	0	0	111
659	D	24.6	Very low	25.1	Very low	167 Å²	167	141.8 Å²	141.8	89%	0.893	82%	0.823	S	S	*	*			trans	-173.2	149.7	135	-98.5	-15.2	0	0	0	112.8
660	D	24	Very low	25.1	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	82%	0.815	S	S	*	*			trans	-79	160.7	-175.6	-90.9	-43.8	0	0	0	115.2
661	H	25.6	Very low	25.1	Very low	167 Å²	167	139.3 Å²	139.3	77%	0.773	82%	0.815	S	S	*	*			trans	89.2	111.6	154	-66.9	-52.4	0	0	0	123.1
662	S	24.8	Very low	25.3	Very low	121 Å²	121	140 Å²	140	85%	0.846	81%	0.812	S	S	*	*			trans	78.9	126.3	130.3	72	0	0	0	0	121.5
663	G	23.8	Very low	25.4	Very low	77 Å²	77	140.6 Å²	140.6	79%	0.794	81%	0.81	S	S	*	*			trans	129.3	101.7	148.1	0	0	0	0	0	118.3
664	A	25	Very low	25.5	Very low	110 Å²	110	143.5 Å²	143.5	91%	0.909	81%	0.811	S	S	*	*			trans	62.7	138.7	145.2	0	0	0	0	0	122.8
665	L	24.9	Very low	25.7	Very low	162 Å²	162	141.3 Å²	141.3	85%	0.848	81%	0.807	S	S	*	*			trans	-65.1	154	-177.6	-71.7	122.6	0	0	0	116.4
666	S	23	Very low	25.8	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	81%	0.813	S	S	*	*				171.4	125.4	103.2	46.3	0	0	0	0	115.9
667	W	24.5	Very low	26.1	Very low	225 Å²	225	141.7 Å²	141.7	85%	0.852	81%	0.81	S	S	*	*			trans	60.6	123.4	138.4	-80.3	27.1	0	0	0	125
668	N	23.9	Very low	26.2	Very low	124 Å²	124	141.5 Å²	141.5	66%	0.663	81%	0.812	S	S	*	*				100.5	122.4	127.6	-79.6	-19	0	0	0	123.3
669	K	27.5	Very low	26.2	Very low	192 Å²	192	139.8 Å²	139.8	84%	0.835	81%	0.81	S	S	*	*			trans	97	154.2	145.8	-76.5	-175.2	179.6	-177	0	119.6
670	P	28.6	Very low	26.4	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	81%	0.808	S	S	*	*				-124.3	168.1	-86.6	23.4	1.3	0	0	0	113.8
671	I	27.1	Very low	26.6	Very low	161 Å²	161	141.5 Å²	141.5	83%	0.826	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-84.5	134.4	-180	-61.9	163.6	0	0	0	110.7
672	P	28	Very low	26.8	Very low	113 Å²	113	139.7 Å²	139.7	73%	0.734	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.6	126.9	168.4	30.6	-26.7	0	0	0	112.2
673	T	27.3	Very low	27	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.4	138.7	171.3	29.4	0	0	0	0	112
674	F	28.2	Very low	27.3	Very low	204 Å²	204	142.1 Å²	142.1	90%	0.895	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-90.1	137.7	164.8	-83.7	-86	0	0	0	109.9
675	P	30.6	Very low	27.5	Very low	122 Å²	122	145 Å²	145	79%	0.792	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-85.3	139.8	-179.5	32	-30.6	0	0	0	112.1
676	N	25	Very low	28	Very low	166 Å²	166	143.8 Å²	143.8	89%	0.888	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-92.1	133.4	164	-141.3	9.9	0	0	0	107.6
677	S	28.7	Very low	28.7	Very low	119 Å²	119	150.1 Å²	150.1	83%	0.832	79%	0.789	S	S	*	*			trans	-158	118.8	154.8	58.9	0	0	0	0	112.7
678	S	27.2	Very low	28.9	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	79%	0.786	S	S	*	*			trans	-86.3	144.2	155.2	56.2	0	0	0	0	110.1
679	A	27.8	Very low	29.1	Very low	88 Å²	88	147.6 Å²	147.6	73%	0.727	79%	0.793	S	S	*	*			trans	178.8	127.1	132.2	0	0	0	0	0	112
680	Y	28.7	Very low	29.2	Very low	216 Å²	216	145.1 Å²	145.1	85%	0.847	79%	0.79	S	S	*	*			trans	15.6	134	133.9	-72.1	-88.3	0	0	0	117.1
681	N	29.4	Very low	29.2	Very low	129 Å²	129	146.7 Å²	146.7	69%	0.69	79%	0.792	S	S	*	*				173.7	151.7	55	-124.9	-13.8	0	0	0	109.9
682	N	28.3	Very low	29.4	Very low	128 Å²	128	145.8 Å²	145.8	68%	0.684	79%	0.79	S	S	*	*			trans	41.7	117	145	-82.5	16.6	0	0	0	122.5
683	D	29	Very low	29.5	Very low	125 Å²	125	148 Å²	148	67%	0.668	79%	0.793	S	S	*	*				145.8	136	92.1	-98.9	-24.1	0	0	0	113.4
684	N	30.4	Very low	29.6	Very low	124 Å²	124	149 Å²	149	66%	0.663	79%	0.791	S	S	*	*			trans	67	116.6	148	-76	-24.3	0	0	0	121.4
685	F	29.9	Very low	29.7	Very low	172 Å²	172	144.8 Å²	144.8	75%	0.754	78%	0.784	S	S	*	*				154.2	134.8	94.7	-107.7	-62.5	0	0	0	112.5
686	L	34.2	Very low	29.7	Very low	136 Å²	136	146.7 Å²	146.7	71%	0.712	78%	0.783	S	S	*	*			trans	60.8	125.3	154	-66.6	141.2	0	0	0	116.7
687	H	37.6	Very low	30.1	Very low	241 Å²	241	144.9 Å²	144.9	100%	1.116	77%	0.773	S	S	*	*			cis	-163.9	0	37.7	-139	-48.8	0	0	0	110.9

Retrieved 687 of 687 residues in 172.5 ms (Link to these results)

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