A0A096ML57_PAPAN Loading...

Isobutyryl-CoA dehydrogenase, mitochondrial

Isobutyryl-CoA dehydrogenase which catalyzes the conversion of 2-methylpropanoyl-CoA to (2E)-2-methylpropenoyl-CoA in the valine catabolic pathway. To a lesser extent, also able to catalyze the oxidation of (2S)-2-methylbutanoyl-CoA.

AlphaFold DB , UniProt , Accession A0A096ML57, Species PAPAN (Papio anubis, Olive baboon), Gene ACAD8, Length 415 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	32.5	Very low	232 Å²	232	150.3 Å²	150.3	100%	1.143	87%	0.874	S	S	*	*				0	88.2	0	-59.8	-175.9	-155.4	0	0	106
2	L	28.8	Very low	32.2	Very low	181 Å²	181	147.5 Å²	147.5	95%	0.948	87%	0.869	S	S	*	*				46	118.9	82.1	-68.3	163.2	0	0	0	110.5
3	G	29.9	Very low	32.4	Very low	58 Å²	58	149.5 Å²	149.5	60%	0.598	87%	0.872	S	S	*	*			cis	-168.9	150.7	8.5	0	0	0	0	0	109.1
4	T	34	Very low	32.1	Very low	152 Å²	152	144.4 Å²	144.4	93%	0.933	87%	0.867	S	S	*	*				80.7	121.4	91.3	54.2	0	0	0	0	115.3
5	G	29.9	Very low	31.9	Very low	85 Å²	85	142.3 Å²	142.3	88%	0.876	86%	0.861	S	S	*	*			trans	-176.2	57.4	169.6	0	0	0	0	0	113.4
6	C	32	Very low	31.9	Very low	111 Å²	111	143.4 Å²	143.4	75%	0.75	86%	0.859	S	S	*	*			trans	-82.4	144.4	174.8	-174.2	0	0	0	0	111
7	R	30.7	Very low	32.3	Very low	250 Å²	250	142.1 Å²	142.1	94%	0.943	86%	0.855	S	S	*	*			trans	-164.4	127.8	134.2	-106	170.9	-158.4	-137.4	5.1	112.5
8	R	35	Very low	32.6	Very low	224 Å²	224	138.8 Å²	138.8	85%	0.845	86%	0.855	S	S	*	*			trans	-85.3	165.6	171.7	-70.2	176.9	172.6	-172.6	-2.8	111.2
9	L	32.6	Very low	32.4	Very low	181 Å²	181	135.5 Å²	135.5	95%	0.948	85%	0.851	S	S	*	*			trans	153	137.4	135.3	-81.5	154.2	0	0	0	106.8
10	G	28.3	Very low	32.4	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	86%	0.855	S	S	*	*			cis	-174.9	169.8	9.6	0	0	0	0	0	108.2
11	A	34.5	Very low	32.5	Very low	105 Å²	105	142.5 Å²	142.5	87%	0.868	86%	0.857	S	S	*	*			trans	-77	156.6	-171.5	0	0	0	0	0	114.9
12	S	29.3	Very low	32	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	84%	0.835	S	S	*	*			trans	-161.9	133.5	136.6	65.4	0	0	0	0	112.1
13	L	34.4	Very low	32.2	Very low	173 Å²	173	134.4 Å²	134.4	91%	0.906	83%	0.83	S	S	*	*			trans	-61.9	147.3	172.7	-72.5	106.5	0	0	0	112.9
14	G	28.2	Very low	32.4	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	84%	0.835	S	S	*	*			trans	-150.1	115	161.5	0	0	0	0	0	110.3
15	C	29	Very low	32.4	Very low	114 Å²	114	138.4 Å²	138.4	77%	0.77	83%	0.83	S	S	*	*			trans	-76.3	133.7	179.1	-73.7	0	0	0	0	113.1
16	L	32.3	Very low	32.7	Very low	160 Å²	160	139.4 Å²	139.4	84%	0.838	82%	0.82	S	S	*	*			trans	54.2	161.3	139.4	-65.7	169.3	0	0	0	120.1
17	P	38.9	Very low	32.9	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	82%	0.817	S	S	*	*			cis	-134	164.9	7.5	33.6	-12.3	0	0	0	116.7
18	G	37.4	Very low	33.2	Very low	83 Å²	83	134 Å²	134	86%	0.856	81%	0.812	S	S	*	*			trans	39.8	96.8	138.2	0	0	0	0	0	119.9
19	G	28.4	Very low	33.6	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	81%	0.811	S	S	*	*			trans	-124.2	96.3	158.3	0	0	0	0	0	109.6	R21	G19-R21 PolarHBondContact O-N 3.09Å
20	L	33.1	Very low	34.3	Very low	177 Å²	177	130.8 Å²	130.8	93%	0.927	81%	0.805	S	S	*	*			trans	-53.5	107.5	169.6	-129	81.8	0	0	0	108	A22	L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.07Å
21	R	33.2	Very low	35.7	Very low	242 Å²	242	134.8 Å²	134.8	91%	0.913	81%	0.808	S	S	*	*			trans	-67.9	97.2	163.4	-87.8	-174.9	174.7	-165.1	-1.2	106.6	G19 L23	G19-R21 PolarHBondContact O-N 3.09Å; R21-L23 PolarHBondContact O-N 2.94Å
22	A	31.8	Very low	37.8	Very low	82 Å²	82	133.2 Å²	133.2	68%	0.678	79%	0.79	S	S	*	*			trans	-58.2	104.5	164	0	0	0	0	0	107.6	L20 V24	L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.07Å; A22-V24 PolarHBondContact O-N 2.84Å
23	L	33.3	Very low	40.9	Very low	161 Å²	161	130.4 Å²	130.4	84%	0.843	77%	0.77	S	S	*	*			trans	-60.5	95.1	158.1	-90.6	147.7	0	0	0	106.1	R21 Q25	R21-L23 PolarHBondContact O-N 2.94Å; L23-Q25 PolarHBondContact O-N 3.31Å
24	V	34.7	Very low	43.8	Very low	115 Å²	115	127.6 Å²	127.6	70%	0.697	76%	0.764	S	S	*	*			trans	-65.9	90.6	162.3	-177.9	0	0	0	0	105.4	A22 T26	A22-V24 PolarHBondContact O-N 2.84Å; V24-T26 HydrophobicContact CG1-CG2 3.82Å; V24-T26 PolarHBondContact O-N 3.43Å
25	Q	33	Very low	47.2	Very low	179 Å²	179	124.4 Å²	124.4	84%	0.836	73%	0.728	S	S	*	*			trans	-64.6	87.8	157.5	-79.1	-177.2	-13.8	0	0	106.2	L23 G27	L23-Q25 PolarHBondContact O-N 3.31Å; Q25-G27 PolarHBondContact O-N 2.9Å
26	T	37.3	Very low	50.4	Low	106 Å²	106	121.2 Å²	121.2	65%	0.65	70%	0.704	S	S	*	*			trans	-63.2	92.6	157.8	48.1	0	0	0	0	105.8	V24 H28	V24-T26 HydrophobicContact CG1-CG2 3.82Å; V24-T26 PolarHBondContact O-N 3.43Å; T26-H28 PolarHBondContact O-N 2.93Å
27	G	35.3	Very low	53.5	Low	67 Å²	67	115 Å²	115	69%	0.691	67%	0.673	S	S	*	*			trans	-54	106.2	168.2	0	0	0	0	0	107.4	Q25 R29	Q25-G27 PolarHBondContact O-N 2.9Å; G27-R29 PolarHBondContact O-N 2.88Å
28	H	37.6	Very low	56.3	Low	180 Å²	180	111 Å²	111	83%	0.833	65%	0.648	S	S	*	*			trans	-60.8	92.8	158.6	-90.3	31.4	0	0	0	105.2	T26 S30	T26-H28 PolarHBondContact O-N 2.93Å; H28-S30 VanDerWaalsContact C-N 3.28Å; H28-S30 PolarHBondContact O-N 2.91Å
29	R	43.3	Very low	59	Low	222 Å²	222	113.1 Å²	113.1	84%	0.838	64%	0.639	S	S	*	*			trans	-57.8	106.1	158.2	-79.3	-174.4	177.5	-169	-1.1	104.3	G27 L31	G27-R29 PolarHBondContact O-N 2.88Å; R29-L31 PolarHBondContact O-N 2.87Å
30	S	47.8	Very low	62.1	Low	116 Å²	116	113.2 Å²	113.2	81%	0.811	64%	0.64	S	S	*	*			trans	-55.5	98.4	161.8	175.8	0	0	0	0	105.8	H28 S32	H28-S30 VanDerWaalsContact C-N 3.28Å; H28-S30 PolarHBondContact O-N 2.91Å; S30-S32 PolarHBondContact O-N 2.98Å
31	L	57	Low	65.2	Low	158 Å²	158	105.3 Å²	105.3	83%	0.827	60%	0.599	S	S	*	*			trans	-73	98.7	175.8	-75.4	166	0	0	0	105.8	R29 S33	R29-L31 PolarHBondContact O-N 2.87Å; L31-S33 PolarHBondContact O-N 3.06Å
32	S	79.4	Confident	68.3	Low	72 Å²	72	97.4 Å²	97.4	50%	0.503	58%	0.575	S	S	.	*			trans	-57.4	135.8	169.4	172.6	0	0	0	0	108.6	S30 D36	S30-S32 PolarHBondContact O-N 2.98Å; S32-D36 PolarHBondContact OG-OD2 2.82Å; S32-D36 VanDerWaalsContact OG-OD2 3.04Å
33	S	93.1	Very high	71.4	Confident	57 Å²	57	100.1 Å²	100.1	40%	0.399	57%	0.573	S	S	.	*			trans	-61.6	139.7	-179.9	177.3	0	0	0	0	110.2	L31 I35 D36	L31-S33 PolarHBondContact O-N 3.06Å; S33-I35 PolarHBondContact O-N 3.03Å; S33-I35 VanDerWaalsContact O-N 3.08Å; S33-I35 WeakPolarHBondContact OG-CG1 3.49Å; S33-I35 PolarHBondContact OG-N 2.86Å; S33-D36 VanDerWaalsContact O-CB 3.22Å; S33-D36 WeakPolarHBondContact O-CB 3.39Å; S33-D36 PolarHBondContact O-N 2.82Å
34	C	96.7	Very high	74.5	Confident	115 Å²	115	98.2 Å²	98.2	78%	0.777	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-12.7	175.4	60.2	0	0	0	0	113.8
35	I	97.8	Very high	77.6	Confident	10 Å²	10	93.4 Å²	93.4	5%	0.051	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	17.3	175.6	61.7	170.4	0	0	0	112.2	S33 P37 V292 I293 A323 L326 V327 R330	S33-I35 PolarHBondContact O-N 3.03Å; S33-I35 VanDerWaalsContact O-N 3.08Å; S33-I35 WeakPolarHBondContact OG-CG1 3.49Å; S33-I35 PolarHBondContact OG-N 2.86Å; I35-P37 WeakPolarHBondContact O-CD 3.15Å; I35-V292 HydrophobicContact CD1-CG1 3.81Å; I35-I293 HydrophobicContact CD1-CD1 4Å; I35-A323 HydrophobicContact CG2-CB 3.7Å; I35-L326 HydrophobicContact CB-CD2 4.35Å; I35-L326 HydrophobicContact CG2-CD2 4.41Å; I35-V327 HydrophobicContact CB-CG2 4.48Å; I35-V327 HydrophobicContact CG2-CG2 4.03Å; I35-R330 PolarHBondContact O-NH1 2.82Å
36	D	97.8	Very high	80.7	Confident	47 Å²	47	88.3 Å²	88.3	25%	0.251	51%	0.505	S	S	.	.			trans	-48.4	112.6	-178.2	-174.6	-10.9	0	0	0	110.8	S32 S33 S38 L39	S32-D36 PolarHBondContact OG-OD2 2.82Å; S32-D36 VanDerWaalsContact OG-OD2 3.04Å; S33-D36 VanDerWaalsContact O-CB 3.22Å; S33-D36 WeakPolarHBondContact O-CB 3.39Å; S33-D36 PolarHBondContact O-N 2.82Å; D36-S38 PolarHBondContact O-N 3.26Å; D36-S38 WeakPolarHBondContact OD1-CB 3.49Å; D36-S38 PolarHBondContact OD1-N 2.96Å; D36-L39 PolarHBondContact O-N 2.76Å
37	P	97.1	Very high	83.6	Confident	31 Å²	31	88 Å²	88	20%	0.201	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.2	-177.9	34.2	-38	0	0	0	112.1	I35 Q49 R334	I35-P37 WeakPolarHBondContact O-CD 3.15Å; P37-Q49 PolarHBondContact O-NE2 3.44Å; P37-R334 PolarHBondContact O-NH1 3.09Å; P37-R334 VanDerWaalsContact O-NH1 3.09Å; P37-R334 PolarHBondContact O-NH2 3.49Å
38	S	97.5	Very high	86.6	Confident	35 Å²	35	86.9 Å²	86.9	25%	0.245	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.4	-179.6	-53.8	0	0	0	0	113.3	D36 G40 L41 Q49	D36-S38 PolarHBondContact O-N 3.26Å; D36-S38 WeakPolarHBondContact OD1-CB 3.49Å; D36-S38 PolarHBondContact OD1-N 2.96Å; S38-G40 PolarHBondContact O-N 2.88Å; S38-L41 WeakPolarHBondContact O-CB 3.36Å; S38-L41 PolarHBondContact O-N 2.97Å; S38-Q49 PolarHBondContact OG-OE1 3.18Å
39	L	93.3	Very high	89.6	Confident	128 Å²	128	79 Å²	79	67%	0.67	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	131.5	-178	-170.1	69.2	0	0	0	111.3	D36 L41 R334	D36-L39 PolarHBondContact O-N 2.76Å; L39-L41 VanDerWaalsContact C-N 3.26Å; L39-L41 PolarHBondContact O-N 2.97Å; L39-R334 PolarHBondContact O-NH1 3.31Å
40	G	94.2	Very high	92.2	Very high	77 Å²	77	73.4 Å²	73.4	79%	0.794	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-0.4	179.6	0	0	0	0	0	115.4	S38	S38-G40 PolarHBondContact O-N 2.88Å
41	L	97.9	Very high	94.6	Very high	12 Å²	12	70.1 Å²	70.1	6%	0.063	39%	0.392	C	S	.	.			trans	-83.8	147.5	174.2	-59.3	-173.4	0	0	0	111.2	S38 L39 Q45 K46 V107	S38-L41 WeakPolarHBondContact O-CB 3.36Å; S38-L41 PolarHBondContact O-N 2.97Å; L39-L41 VanDerWaalsContact C-N 3.26Å; L39-L41 PolarHBondContact O-N 2.97Å; L41-Q45 HydrophobicContact CB-CB 3.87Å; L41-Q45 HydrophobicContact CD1-CB 4.32Å; L41-Q45 HydrophobicContact CD2-CB 4.37Å; L41-Q45 HydrophobicContact CG-CB 4.41Å; L41-K46 HydrophobicContact CB-CG 4.02Å; L41-K46 VanDerWaalsContact O-CE 3.31Å; L41-K46 WeakPolarHBondContact O-CE 3.37Å; L41-V107 HydrophobicContact CD1-CG1 3.93Å; L41-V107 HydrophobicContact CD1-CG2 3.87Å; L41-V107 HydrophobicContact CD2-CG2 3.72Å; L41-V107 HydrophobicContact CG-CG2 4.48Å
42	N	98.4	Very high	96.6	Very high	76 Å²	76	62.6 Å²	62.6	41%	0.406	35%	0.353	S	S	.	.			trans	-74.2	170.8	167.7	71.5	38.6	0	0	0	111	E44 Q45 K46	N42-E44 VanDerWaalsContact C-N 3.34Å; N42-E44 PolarHBondContact O-N 2.88Å; N42-E44 PolarHBondContact OD1-N 3.11Å; N42-E44 VanDerWaalsContact OD1-N 3.12Å; N42-Q45 VanDerWaalsContact N-OE1 3.1Å; N42-Q45 PolarHBondContact O-N 3.47Å; N42-Q45 WeakPolarHBondContact OD1-CB 3.41Å; N42-Q45 WeakPolarHBondContact OD1-CG 3.47Å; N42-Q45 PolarHBondContact OD1-N 2.75Å; N42-K46 WeakPolarHBondContact O-CG 3.45Å; N42-K46 PolarHBondContact O-N 2.72Å
43	E	98.2	Very high	97.5	Very high	139 Å²	139	63.7 Å²	63.7	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-64.2	-36.3	-175.5	-64.5	-54.7	119.7	0	0	113.3	K46 E47	E43-K46 PolarHBondContact O-N 3.38Å; E43-K46 IonicContact OE1-NZ 3.65Å; E43-K46 PolarHBondContact OE1-NZ 2.97Å; E43-E47 PolarHBondContact O-N 2.82Å
44	E	98.1	Very high	97.8	Very high	121 Å²	121	64 Å²	64	57%	0.565	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-43.6	177.6	-170.8	179	-156.8	0	0	111.4	N42 K46 E47 F48	N42-E44 VanDerWaalsContact C-N 3.34Å; N42-E44 PolarHBondContact O-N 2.88Å; N42-E44 PolarHBondContact OD1-N 3.11Å; N42-E44 VanDerWaalsContact OD1-N 3.12Å; E44-K46 VanDerWaalsContact C-N 3.31Å; E44-K46 PolarHBondContact O-N 3.12Å; E44-E47 WeakPolarHBondContact O-CB 3.45Å; E44-E47 PolarHBondContact O-N 2.75Å; E44-E47 VanDerWaalsContact O-N 3.09Å; E44-F48 HydrophobicContact CG-CD2 4.37Å; E44-F48 HydrophobicContact CG-CE1 4.03Å; E44-F48 HydrophobicContact CG-CE2 3.63Å; E44-F48 HydrophobicContact CG-CZ 3.43Å; E44-F48 VanDerWaalsContact CG-CZ 3.43Å; E44-F48 WeakPolarHBondContact O-CG 3.24Å; E44-F48 PolarHBondContact O-N 3.01Å; E44-F48 WeakPolarHBondContact OE1-CZ 3.43Å
45	Q	98.6	Very high	97.9	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-36.6	174	-77	168.6	-12.3	0	0	112.9	L41 N42 E47 F48 Q49 D104	L41-Q45 HydrophobicContact CB-CB 3.87Å; L41-Q45 HydrophobicContact CD1-CB 4.32Å; L41-Q45 HydrophobicContact CD2-CB 4.37Å; L41-Q45 HydrophobicContact CG-CB 4.41Å; N42-Q45 VanDerWaalsContact N-OE1 3.1Å; N42-Q45 PolarHBondContact O-N 3.47Å; N42-Q45 WeakPolarHBondContact OD1-CB 3.41Å; N42-Q45 WeakPolarHBondContact OD1-CG 3.47Å; N42-Q45 PolarHBondContact OD1-N 2.75Å; Q45-E47 VanDerWaalsContact C-N 3.33Å; Q45-F48 PolarHBondContact O-N 3.06Å; Q45-Q49 VanDerWaalsContact O-CB 3.27Å; Q45-Q49 WeakPolarHBondContact O-CB 3.46Å; Q45-Q49 PolarHBondContact O-N 3.44Å; Q45-D104 WeakPolarHBondContact CG-OD1 3.49Å; Q45-D104 PolarHBondContact NE2-OD1 3.08Å
46	K	98.6	Very high	98	Very high	72 Å²	72	58.3 Å²	58.3	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-65.9	-37.5	173.4	-70.4	174.4	-169.5	166.1	0	111.3	L41 N42 E43 E44 Q49 K50	L41-K46 HydrophobicContact CB-CG 4.02Å; L41-K46 VanDerWaalsContact O-CE 3.31Å; L41-K46 WeakPolarHBondContact O-CE 3.37Å; N42-K46 WeakPolarHBondContact O-CG 3.45Å; N42-K46 PolarHBondContact O-N 2.72Å; E43-K46 PolarHBondContact O-N 3.38Å; E43-K46 IonicContact OE1-NZ 3.65Å; E43-K46 PolarHBondContact OE1-NZ 2.97Å; E44-K46 VanDerWaalsContact C-N 3.31Å; E44-K46 PolarHBondContact O-N 3.12Å; K46-Q49 WeakPolarHBondContact O-CB 3.26Å; K46-Q49 PolarHBondContact O-N 3.06Å; K46-K50 VanDerWaalsContact O-CB 3.32Å; K46-K50 WeakPolarHBondContact O-CB 3.36Å; K46-K50 PolarHBondContact O-N 3.44Å
47	E	98.6	Very high	98	Very high	101 Å²	101	58.5 Å²	58.5	47%	0.472	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-46	174.7	-171.3	56.9	-149.1	0	0	111.2	E43 E44 Q45 Q49 K50 V51	E43-E47 PolarHBondContact O-N 2.82Å; E44-E47 WeakPolarHBondContact O-CB 3.45Å; E44-E47 PolarHBondContact O-N 2.75Å; E44-E47 VanDerWaalsContact O-N 3.09Å; Q45-E47 VanDerWaalsContact C-N 3.33Å; E47-Q49 VanDerWaalsContact C-N 3.3Å; E47-Q49 PolarHBondContact O-N 3.01Å; E47-K50 PolarHBondContact O-N 2.84Å; E47-K50 VanDerWaalsContact O-N 3.12Å; E47-V51 HydrophobicContact CG-CG2 4.48Å; E47-V51 WeakPolarHBondContact O-CG2 3.43Å; E47-V51 PolarHBondContact O-N 2.86Å
48	F	98.6	Very high	98.1	Very high	42 Å²	42	64.2 Å²	64.2	18%	0.184	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-44.6	173.5	-61.8	-26.8	0	0	0	112.1	E44 Q45 K50 V51 A52 L100 D104 I108	E44-F48 HydrophobicContact CG-CD2 4.37Å; E44-F48 HydrophobicContact CG-CE1 4.03Å; E44-F48 HydrophobicContact CG-CE2 3.63Å; E44-F48 HydrophobicContact CG-CZ 3.43Å; E44-F48 VanDerWaalsContact CG-CZ 3.43Å; E44-F48 WeakPolarHBondContact O-CG 3.24Å; E44-F48 PolarHBondContact O-N 3.01Å; E44-F48 WeakPolarHBondContact OE1-CZ 3.43Å; Q45-F48 PolarHBondContact O-N 3.06Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.49Å; F48-V51 PolarHBondContact O-N 2.68Å; F48-A52 VanDerWaalsContact O-CB 3.3Å; F48-A52 WeakPolarHBondContact O-CB 3.39Å; F48-A52 PolarHBondContact O-N 2.97Å; F48-L100 HydrophobicContact CD2-CD1 4.25Å; F48-L100 HydrophobicContact CE2-CD1 4.01Å; F48-L100 HydrophobicContact CE2-CD2 3.79Å; F48-L100 HydrophobicContact CE2-CG 4.5Å; F48-L100 HydrophobicContact CZ-CD1 4.15Å; F48-L100 HydrophobicContact CZ-CD2 3.66Å; F48-D104 HydrophobicContact CD2-CB 4.1Å; F48-D104 HydrophobicContact CE2-CB 4.33Å; F48-I108 HydrophobicContact CB-CD1 4.28Å; F48-I108 HydrophobicContact CB-CG1 4.08Å
49	Q	98.8	Very high	98.2	Very high	15 Å²	15	64.1 Å²	64.1	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-47.4	175.3	-174.3	173.6	52.8	0	0	111.5	P37 S38 Q45 K46 E47 A52 F53 V107	P37-Q49 PolarHBondContact O-NE2 3.44Å; S38-Q49 PolarHBondContact OG-OE1 3.18Å; Q45-Q49 VanDerWaalsContact O-CB 3.27Å; Q45-Q49 WeakPolarHBondContact O-CB 3.46Å; Q45-Q49 PolarHBondContact O-N 3.44Å; K46-Q49 WeakPolarHBondContact O-CB 3.26Å; K46-Q49 PolarHBondContact O-N 3.06Å; E47-Q49 VanDerWaalsContact C-N 3.3Å; E47-Q49 PolarHBondContact O-N 3.01Å; Q49-A52 PolarHBondContact O-N 3.02Å; Q49-F53 VanDerWaalsContact O-CB 3.26Å; Q49-F53 WeakPolarHBondContact O-CB 3.4Å; Q49-F53 PolarHBondContact O-N 2.97Å; Q49-V107 HydrophobicContact CB-CG1 3.5Å; Q49-V107 VanDerWaalsContact CB-CG1 3.5Å; Q49-V107 HydrophobicContact CG-CG1 3.96Å
50	K	98.7	Very high	98.4	Very high	105 Å²	105	58.1 Å²	58.1	46%	0.457	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-48.9	-178.7	-175.5	-174.2	176.2	-59.8	0	111.1	K46 E47 F48 A52 F53 D54	K46-K50 VanDerWaalsContact O-CB 3.32Å; K46-K50 WeakPolarHBondContact O-CB 3.36Å; K46-K50 PolarHBondContact O-N 3.44Å; E47-K50 PolarHBondContact O-N 2.84Å; E47-K50 VanDerWaalsContact O-N 3.12Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.49Å; K50-A52 VanDerWaalsContact C-N 3.34Å; K50-A52 PolarHBondContact O-N 2.78Å; K50-F53 PolarHBondContact O-N 3.15Å; K50-D54 IonicContact NZ-OD2 2.71Å; K50-D54 PolarHBondContact NZ-OD2 2.84Å; K50-D54 WeakPolarHBondContact O-CB 3.42Å; K50-D54 VanDerWaalsContact O-CG 3.28Å; K50-D54 PolarHBondContact O-N 2.92Å
51	V	98.8	Very high	98.6	Very high	46 Å²	46	56.5 Å²	56.5	28%	0.279	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-46.8	178	172.7	0	0	0	0	110.9	E47 F48 F55 L84 F86	E47-V51 HydrophobicContact CG-CG2 4.48Å; E47-V51 WeakPolarHBondContact O-CG2 3.43Å; E47-V51 PolarHBondContact O-N 2.86Å; F48-V51 PolarHBondContact O-N 2.68Å; V51-F55 WeakPolarHBondContact O-CB 3.24Å; V51-F55 PolarHBondContact O-N 2.97Å; V51-L84 HydrophobicContact CG1-CD1 4.17Å; V51-F86 HydrophobicContact CG1-CZ 4.09Å
52	A	98.9	Very high	98.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-41.5	178.6	0	0	0	0	0	112.5	F48 Q49 K50 F55 A56 F86 I108 A111 L112	F48-A52 VanDerWaalsContact O-CB 3.3Å; F48-A52 WeakPolarHBondContact O-CB 3.39Å; F48-A52 PolarHBondContact O-N 2.97Å; Q49-A52 PolarHBondContact O-N 3.02Å; K50-A52 VanDerWaalsContact C-N 3.34Å; K50-A52 PolarHBondContact O-N 2.78Å; A52-F55 PolarHBondContact O-N 2.73Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.83Å; A52-F86 HydrophobicContact CB-CE2 4.12Å; A52-F86 HydrophobicContact CB-CZ 3.87Å; A52-I108 HydrophobicContact CB-CB 4.5Å; A52-I108 HydrophobicContact CB-CG2 4.18Å; A52-A111 HydrophobicContact CB-CB 3.69Å; A52-L112 HydrophobicContact CB-CD2 4.28Å; A52-L112 HydrophobicContact CB-CG 4.19Å
53	F	98.7	Very high	98.7	Very high	95 Å²	95	59 Å²	59	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-44.2	178.6	-172.2	-97.4	0	0	0	111.9	Q49 K50 F55 A56 A57 A111 T114	Q49-F53 VanDerWaalsContact O-CB 3.26Å; Q49-F53 WeakPolarHBondContact O-CB 3.4Å; Q49-F53 PolarHBondContact O-N 2.97Å; K50-F53 PolarHBondContact O-N 3.15Å; F53-F55 VanDerWaalsContact C-N 3.31Å; F53-F55 PolarHBondContact O-N 3.03Å; F53-A56 PolarHBondContact O-N 3.01Å; F53-A57 WeakPolarHBondContact O-CB 3.5Å; F53-A57 PolarHBondContact O-N 2.69Å; F53-A111 HydrophobicContact CB-CB 4.16Å; F53-T114 HydrophobicContact CE2-CG2 4.32Å
54	D	98.8	Very high	98.7	Very high	63 Å²	63	52.8 Å²	52.8	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.7	-73.4	-15.6	0	0	0	111	K50 R58	K50-D54 IonicContact NZ-OD2 2.71Å; K50-D54 PolarHBondContact NZ-OD2 2.84Å; K50-D54 WeakPolarHBondContact O-CB 3.42Å; K50-D54 VanDerWaalsContact O-CG 3.28Å; K50-D54 PolarHBondContact O-N 2.92Å; D54-R58 VanDerWaalsContact O-CB 3.28Å; D54-R58 WeakPolarHBondContact O-CB 3.42Å; D54-R58 PolarHBondContact O-N 2.97Å; D54-R58 VanDerWaalsContact O-N 3.08Å
55	F	98.9	Very high	98.8	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-46.9	173.5	-179.1	-91.8	0	0	0	111.8	V51 A52 F53 A57 R58 E59 M60 V77 K80 A81 L84 L112	V51-F55 WeakPolarHBondContact O-CB 3.24Å; V51-F55 PolarHBondContact O-N 2.97Å; A52-F55 PolarHBondContact O-N 2.73Å; F53-F55 VanDerWaalsContact C-N 3.31Å; F53-F55 PolarHBondContact O-N 3.03Å; F55-A57 VanDerWaalsContact C-N 3.35Å; F55-A57 PolarHBondContact O-N 2.79Å; F55-R58 PolarHBondContact O-N 3.14Å; F55-E59 HydrophobicContact CD2-CB 4.28Å; F55-E59 HydrophobicContact CD2-CG 3.77Å; F55-E59 HydrophobicContact CE1-CB 4.26Å; F55-E59 HydrophobicContact CE2-CB 3.95Å; F55-E59 HydrophobicContact CE2-CG 3.63Å; F55-E59 HydrophobicContact CG-CG 4.43Å; F55-E59 HydrophobicContact CZ-CB 3.92Å; F55-E59 HydrophobicContact CZ-CG 4.14Å; F55-E59 WeakPolarHBondContact O-CB 3.11Å; F55-E59 PolarHBondContact O-N 2.79Å; F55-M60 HydrophobicContact CD1-CG 4.28Å; F55-M60 HydrophobicContact CD1-SD 4.01Å; F55-M60 HydrophobicContact CE1-CG 3.95Å; F55-M60 HydrophobicContact CE1-SD 3.91Å; F55-V77 HydrophobicContact CE1-CG1 4.05Å; F55-V77 HydrophobicContact CZ-CG1 3.74Å; F55-V77 WeakPolarHBondContact CZ-O 3.43Å; F55-K80 HydrophobicContact CE2-CB 3.83Å; F55-K80 HydrophobicContact CZ-CB 4.13Å; F55-A81 HydrophobicContact CD1-CB 4.48Å; F55-A81 HydrophobicContact CE1-CB 3.63Å; F55-A81 HydrophobicContact CE2-CB 4.38Å; F55-A81 HydrophobicContact CZ-CB 3.58Å; F55-L84 HydrophobicContact CB-CD1 4.01Å; F55-L84 HydrophobicContact CD2-CD1 3.46Å; F55-L84 VanDerWaalsContact CD2-CD1 3.46Å; F55-L84 HydrophobicContact CE2-CD1 4.15Å; F55-L84 HydrophobicContact CG-CD1 3.88Å; F55-L112 HydrophobicContact CD1-CD2 3.71Å; F55-L112 HydrophobicContact CE1-CD2 4.41Å
56	A	98.9	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-59.4	-46	178.9	0	0	0	0	0	111.7	A52 F53 R58 M60 A61 L112	A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.83Å; F53-A56 PolarHBondContact O-N 3.01Å; A56-R58 PolarHBondContact O-N 2.49Å; A56-M60 HydrophobicContact CB-SD 4.24Å; A56-M60 WeakPolarHBondContact O-CA 3.4Å; A56-M60 WeakPolarHBondContact O-CB 3.46Å; A56-M60 PolarHBondContact O-N 3.16Å; A56-M60 VanDerWaalsContact O-N 3.13Å; A56-A61 PolarHBondContact O-N 2.92Å; A56-L112 HydrophobicContact CB-CD2 4.47Å
57	A	98.8	Very high	98.8	Very high	52 Å²	52	50.5 Å²	50.5	43%	0.43	26%	0.264	S	S	.	.	I	π-helix	trans	-65.9	-36.5	179.7	0	0	0	0	0	112.7	F53 F55 P62	F53-A57 WeakPolarHBondContact O-CB 3.5Å; F53-A57 PolarHBondContact O-N 2.69Å; F55-A57 VanDerWaalsContact C-N 3.35Å; F55-A57 PolarHBondContact O-N 2.79Å; A57-P62 WeakPolarHBondContact O-CD 3.36Å
58	R	98.8	Very high	98.8	Very high	151 Å²	151	45.9 Å²	45.9	57%	0.57	24%	0.243	S	C	*	.	I	π-helix	trans	-87.4	-42.9	-175.8	-174.1	175.8	62.8	-118.9	-1	113.9	D54 F55 A56	D54-R58 VanDerWaalsContact O-CB 3.28Å; D54-R58 WeakPolarHBondContact O-CB 3.42Å; D54-R58 PolarHBondContact O-N 2.97Å; D54-R58 VanDerWaalsContact O-N 3.08Å; F55-R58 PolarHBondContact O-N 3.14Å; A56-R58 PolarHBondContact O-N 2.49Å
59	E	98.9	Very high	98.8	Very high	33 Å²	33	50 Å²	50	15%	0.154	26%	0.263	C	S	.	.	I	π-helix	trans	-107.2	-24.3	-168.6	-53.5	-69.2	149.4	0	0	113	F55 N63 W67 V77 K80	F55-E59 HydrophobicContact CD2-CB 4.28Å; F55-E59 HydrophobicContact CD2-CG 3.77Å; F55-E59 HydrophobicContact CE1-CB 4.26Å; F55-E59 HydrophobicContact CE2-CB 3.95Å; F55-E59 HydrophobicContact CE2-CG 3.63Å; F55-E59 HydrophobicContact CG-CG 4.43Å; F55-E59 HydrophobicContact CZ-CB 3.92Å; F55-E59 HydrophobicContact CZ-CG 4.14Å; F55-E59 WeakPolarHBondContact O-CB 3.11Å; F55-E59 PolarHBondContact O-N 2.79Å; E59-N63 PolarHBondContact O-ND2 2.88Å; E59-W67 WeakPolarHBondContact O-CH2 3.27Å; E59-V77 HydrophobicContact CB-CG1 3.98Å; E59-K80 IonicContact OE2-NZ 3.13Å; E59-K80 PolarHBondContact OE2-NZ 3.49Å
60	M	98.9	Very high	98.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.285	C	S	.	.	I	π-helix	trans	-104.2	-55.6	-175	-56.4	174	68.5	0	0	112.7	F55 A56 P62 N63 M64 W67 V77 L112 C116 T119 T120	F55-M60 HydrophobicContact CD1-CG 4.28Å; F55-M60 HydrophobicContact CD1-SD 4.01Å; F55-M60 HydrophobicContact CE1-CG 3.95Å; F55-M60 HydrophobicContact CE1-SD 3.91Å; A56-M60 HydrophobicContact CB-SD 4.24Å; A56-M60 WeakPolarHBondContact O-CA 3.4Å; A56-M60 WeakPolarHBondContact O-CB 3.46Å; A56-M60 PolarHBondContact O-N 3.16Å; A56-M60 VanDerWaalsContact O-N 3.13Å; M60-P62 VanDerWaalsContact C-CD 3.49Å; M60-N63 PolarHBondContact O-N 3.15Å; M60-M64 PolarHBondContact O-N 3.24Å; M60-W67 HydrophobicContact CB-CH2 4.45Å; M60-W67 HydrophobicContact CB-CZ3 4.23Å; M60-V77 HydrophobicContact CG-CG1 4.15Å; M60-L112 HydrophobicContact SD-CB 4.38Å; M60-L112 HydrophobicContact SD-CD2 3.85Å; M60-C116 HydrophobicContact CB-CB 4.35Å; M60-C116 HydrophobicContact CE-CB 3.95Å; M60-T119 HydrophobicContact CE-CG2 4.13Å; M60-T120 WeakPolarHBondContact CE-OG1 3.39Å
61	A	98.8	Very high	98.8	Very high	43 Å²	43	51.9 Å²	51.9	36%	0.355	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.1	-42.8	-174.4	0	0	0	0	0	113.7	A56 N63 M64 G115	A56-A61 PolarHBondContact O-N 2.92Å; A61-N63 PolarHBondContact O-N 2.67Å; A61-M64 PolarHBondContact O-N 3.11Å; A61-G115 WeakPolarHBondContact CA-O 3.14Å
62	P	98.8	Very high	98.8	Very high	89 Å²	89	53.1 Å²	53.1	58%	0.578	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24	179	-23.4	36.4	0	0	0	113.9	A57 M60	A57-P62 WeakPolarHBondContact O-CD 3.36Å; M60-P62 VanDerWaalsContact C-CD 3.49Å
63	N	98.9	Very high	98.8	Very high	51 Å²	51	54.5 Å²	54.5	27%	0.273	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-105.3	-10.1	-173.5	-58.7	-61.8	0	0	0	113.2	E59 M60 A61 A65 E66 W67	E59-N63 PolarHBondContact O-ND2 2.88Å; M60-N63 PolarHBondContact O-N 3.15Å; A61-N63 PolarHBondContact O-N 2.67Å; N63-A65 VanDerWaalsContact C-N 3.33Å; N63-A65 PolarHBondContact O-N 3.48Å; N63-E66 PolarHBondContact O-N 3.34Å; N63-E66 VanDerWaalsContact O-N 3.1Å; N63-W67 HydrophobicContact CB-CD2 3.88Å; N63-W67 HydrophobicContact CB-CE3 4.27Å; N63-W67 HydrophobicContact CB-CH2 3.75Å; N63-W67 HydrophobicContact CB-CZ2 3.29Å; N63-W67 HydrophobicContact CB-CZ3 4.22Å; N63-W67 PolarHBondContact O-N 3.2Å
64	M	98.9	Very high	98.8	Very high	9 Å²	9	50.5 Å²	50.5	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-52.3	-47.3	-173	-178.5	-176.8	70.6	0	0	112.8	M60 A61 W67 D68 C116 A383 Q386 Y387	M60-M64 PolarHBondContact O-N 3.24Å; A61-M64 PolarHBondContact O-N 3.11Å; M64-W67 PolarHBondContact O-N 2.67Å; M64-D68 PolarHBondContact O-N 2.94Å; M64-C116 HydrophobicContact CB-CB 4.17Å; M64-C116 HydrophobicContact CG-CB 3.87Å; M64-C116 HydrophobicContact SD-CB 4.36Å; M64-A383 HydrophobicContact CE-CB 3.57Å; M64-Q386 HydrophobicContact CE-CB 4.18Å; M64-Q386 HydrophobicContact CE-CG 4.46Å; M64-Q386 VanDerWaalsContact CG-NE2 3.3Å; M64-Q386 HydrophobicContact SD-CG 4.31Å; M64-Y387 HydrophobicContact SD-CE1 4.15Å
65	A	98.8	Very high	98.8	Very high	51 Å²	51	49.2 Å²	49.2	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-37.5	-178.5	0	0	0	0	0	112.4	N63 Q69	N63-A65 VanDerWaalsContact C-N 3.33Å; N63-A65 PolarHBondContact O-N 3.48Å; A65-Q69 VanDerWaalsContact O-CB 3.31Å; A65-Q69 WeakPolarHBondContact O-CB 3.19Å; A65-Q69 PolarHBondContact O-N 3.04Å
66	E	98.9	Very high	98.8	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	29%	0.29	S	S	.	.	H	α-helix	trans	-66.9	-46	177.3	-179.7	172.9	-171.2	0	0	111.1	N63 D68 Q69 K70 L72	N63-E66 PolarHBondContact O-N 3.34Å; N63-E66 VanDerWaalsContact O-N 3.1Å; E66-D68 VanDerWaalsContact C-N 3.31Å; E66-D68 PolarHBondContact O-N 3.26Å; E66-Q69 PolarHBondContact O-N 3.25Å; E66-K70 HydrophobicContact CG-CD 3.83Å; E66-K70 HydrophobicContact CG-CG 4.45Å; E66-K70 WeakPolarHBondContact O-CB 3.47Å; E66-K70 PolarHBondContact O-N 2.67Å; E66-K70 WeakPolarHBondContact OE1-CE 3.28Å; E66-K70 IonicContact OE1-NZ 3.44Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; E66-L72 HydrophobicContact CG-CD1 4.46Å
67	W	98.9	Very high	98.8	Very high	20 Å²	20	55.5 Å²	55.5	8%	0.076	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-37.5	178	-60.1	-24.7	0	0	0	112.3	E59 M60 N63 M64 E71 L72 P74 V77 C116	E59-W67 WeakPolarHBondContact O-CH2 3.27Å; M60-W67 HydrophobicContact CB-CH2 4.45Å; M60-W67 HydrophobicContact CB-CZ3 4.23Å; N63-W67 HydrophobicContact CB-CD2 3.88Å; N63-W67 HydrophobicContact CB-CE3 4.27Å; N63-W67 HydrophobicContact CB-CH2 3.75Å; N63-W67 HydrophobicContact CB-CZ2 3.29Å; N63-W67 HydrophobicContact CB-CZ3 4.22Å; N63-W67 PolarHBondContact O-N 3.2Å; M64-W67 PolarHBondContact O-N 2.67Å; W67-E71 CarbonylContact O-C 3.57Å; W67-E71 WeakPolarHBondContact O-CA 3.18Å; W67-E71 PolarHBondContact O-N 3.46Å; W67-L72 PolarHBondContact O-N 2.97Å; W67-P74 HydrophobicContact CD2-CB 3.79Å; W67-P74 HydrophobicContact CD2-CG 4.23Å; W67-P74 HydrophobicContact CE3-CB 4.17Å; W67-P74 HydrophobicContact CE3-CG 4.21Å; W67-P74 HydrophobicContact CG-CB 4.34Å; W67-P74 HydrophobicContact CH2-CB 4.04Å; W67-P74 HydrophobicContact CZ2-CB 3.65Å; W67-P74 HydrophobicContact CZ3-CB 4.29Å; W67-P74 HydrophobicContact CZ3-CG 4.39Å; W67-V77 HydrophobicContact CH2-CB 3.97Å; W67-V77 HydrophobicContact CH2-CG1 3.9Å; W67-V77 HydrophobicContact CH2-CG2 3.92Å; W67-V77 HydrophobicContact CZ2-CB 4.06Å; W67-V77 HydrophobicContact CZ2-CG1 4.47Å; W67-V77 HydrophobicContact CZ2-CG2 3.65Å; W67-C116 HydrophobicContact CE3-CB 4.44Å; W67-C116 HydrophobicContact CZ3-CB 4.27Å
68	D	98.9	Very high	98.8	Very high	4 Å²	4	53 Å²	53	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-52.6	173.4	179.1	72.5	0	0	0	111.6	M64 E66 K70 E71 N239 K380 R389	M64-D68 PolarHBondContact O-N 2.94Å; E66-D68 VanDerWaalsContact C-N 3.31Å; E66-D68 PolarHBondContact O-N 3.26Å; D68-K70 PolarHBondContact O-N 2.76Å; D68-E71 PolarHBondContact O-N 2.77Å; D68-N239 WeakPolarHBondContact O-CB 3.47Å; D68-N239 WeakPolarHBondContact OD1-CB 3.44Å; D68-N239 PolarHBondContact OD1-ND2 2.85Å; D68-K380 IonicContact OD2-NZ 2.8Å; D68-K380 PolarHBondContact OD2-NZ 2.93Å; D68-R389 IonicContact OD1-CZ 3.85Å; D68-R389 IonicContact OD1-NH1 3.48Å; D68-R389 PolarHBondContact OD1-NH1 3.02Å; D68-R389 IonicContact OD1-NH2 2.76Å; D68-R389 PolarHBondContact OD1-NH2 3.31Å; D68-R389 VanDerWaalsContact OD1-NH2 3.14Å; D68-R389 IonicContact OD2-CZ 3.97Å; D68-R389 IonicContact OD2-NH1 2.84Å; D68-R389 PolarHBondContact OD2-NH1 3.45Å; D68-R389 IonicContact OD2-NH2 3.77Å; D68-R389 PolarHBondContact OD2-NH2 3.44Å
69	Q	98.8	Very high	98.8	Very high	130 Å²	130	50.5 Å²	50.5	61%	0.607	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-38.3	-171.6	-175.6	58.3	32.5	0	0	112.5	A65 E66	A65-Q69 VanDerWaalsContact O-CB 3.31Å; A65-Q69 WeakPolarHBondContact O-CB 3.19Å; A65-Q69 PolarHBondContact O-N 3.04Å; E66-Q69 PolarHBondContact O-N 3.25Å
70	K	98.8	Very high	98.8	Very high	121 Å²	121	53.2 Å²	53.2	53%	0.526	28%	0.276	S	S	.	.	H	α-helix	trans	-93.1	-3.3	179.7	-64.8	-178.8	-176.1	175.3	0	112.8	E66 D68 L72	E66-K70 HydrophobicContact CG-CD 3.83Å; E66-K70 HydrophobicContact CG-CG 4.45Å; E66-K70 WeakPolarHBondContact O-CB 3.47Å; E66-K70 PolarHBondContact O-N 2.67Å; E66-K70 WeakPolarHBondContact OE1-CE 3.28Å; E66-K70 IonicContact OE1-NZ 3.44Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; D68-K70 PolarHBondContact O-N 2.76Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 HydrophobicContact CB-CD1 3.82Å; K70-L72 HydrophobicContact CB-CD2 4.16Å; K70-L72 HydrophobicContact CB-CG 3.59Å; K70-L72 HydrophobicContact CD-CD1 3.94Å; K70-L72 PolarHBondContact O-N 2.79Å
71	E	98.8	Very high	98.8	Very high	37 Å²	37	53.1 Å²	53.1	17%	0.173	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	49.7	-176.2	-57.6	169.8	137.5	0	0	112.3	W67 D68 K232 K234 N239	W67-E71 CarbonylContact O-C 3.57Å; W67-E71 WeakPolarHBondContact O-CA 3.18Å; W67-E71 PolarHBondContact O-N 3.46Å; D68-E71 PolarHBondContact O-N 2.77Å; E71-K232 PolarHBondContact O-NZ 3.43Å; E71-K232 WeakPolarHBondContact OE2-CE 3.46Å; E71-K232 IonicContact OE2-NZ 2.94Å; E71-K232 PolarHBondContact OE2-NZ 3.2Å; E71-K234 WeakPolarHBondContact OE1-CD 3.48Å; E71-K234 IonicContact OE1-NZ 2.67Å; E71-K234 PolarHBondContact OE1-NZ 3.29Å; E71-K234 IonicContact OE2-NZ 3.91Å; E71-K234 PolarHBondContact OE2-NZ 2.91Å; E71-N239 CarbonylContact C-O 3.52Å; E71-N239 VanDerWaalsContact CA-O 3.24Å; E71-N239 WeakPolarHBondContact CA-O 3.33Å; E71-N239 HydrophobicContact CG-CB 4.18Å
72	L	98.8	Very high	98.8	Very high	72 Å²	72	51.5 Å²	51.5	38%	0.377	26%	0.262	S	S	.	.			trans	-91.1	133.3	-175.9	-62.8	174.5	0	0	0	110.8	E66 W67 K70 P74 S240	E66-L72 HydrophobicContact CG-CD1 4.46Å; W67-L72 PolarHBondContact O-N 2.97Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 HydrophobicContact CB-CD1 3.82Å; K70-L72 HydrophobicContact CB-CD2 4.16Å; K70-L72 HydrophobicContact CB-CG 3.59Å; K70-L72 HydrophobicContact CD-CD1 3.94Å; K70-L72 PolarHBondContact O-N 2.79Å; L72-P74 WeakPolarHBondContact O-CD 3.36Å; L72-S240 CarbonylContact O-C 3.56Å; L72-S240 VanDerWaalsContact O-CA 3.31Å; L72-S240 WeakPolarHBondContact O-CA 3.5Å; L72-S240 VanDerWaalsContact O-O 3.09Å
73	F	98.9	Very high	98.8	Very high	30 Å²	30	55 Å²	55	13%	0.132	27%	0.271	C	S	.	.			trans	-82.8	109.7	171.2	-169.7	-123.3	0	0	0	109.6	V75 M78 Y122 F155 E197 S240 P242	F73-V75 HydrophobicContact CD1-CG2 3.55Å; F73-V75 HydrophobicContact CE1-CG2 3.93Å; F73-V75 PolarHBondContact O-N 2.85Å; F73-M78 HydrophobicContact CD1-CE 4.06Å; F73-M78 HydrophobicContact CD2-CE 3.81Å; F73-M78 HydrophobicContact CE1-CE 3.67Å; F73-M78 HydrophobicContact CE2-CE 3.42Å; F73-M78 VanDerWaalsContact CE2-CE 3.42Å; F73-M78 HydrophobicContact CE2-SD 4.2Å; F73-M78 HydrophobicContact CG-CE 4.11Å; F73-M78 HydrophobicContact CZ-CE 3.33Å; F73-M78 HydrophobicContact CZ-SD 4.36Å; F73-Y122 AromaticContact CE2-CD1 3.63Å; F73-Y122 HydrophobicContact CE2-CD1 3.63Å; F73-Y122 HydrophobicContact CE2-CD2 4.18Å; F73-Y122 AromaticContact CE2-CE1 3.44Å; F73-Y122 HydrophobicContact CE2-CE1 3.44Å; F73-Y122 VanDerWaalsContact CE2-CE1 3.44Å; F73-Y122 HydrophobicContact CE2-CE2 4.03Å; F73-Y122 HydrophobicContact CE2-CG 4Å; F73-Y122 AromaticContact CE2-CZ 3.67Å; F73-Y122 HydrophobicContact CZ-CD1 4.01Å; F73-Y122 AromaticContact CZ-CE1 3.32Å; F73-Y122 HydrophobicContact CZ-CE1 3.32Å; F73-Y122 HydrophobicContact CZ-CE2 4.17Å; F73-Y122 AromaticContact CZ-CZ 3.42Å; F73-Y122 VanDerWaalsContact CZ-CZ 3.42Å; F73-F155 HydrophobicContact CE1-CD1 4.11Å; F73-F155 HydrophobicContact CE1-CD2 4.11Å; F73-F155 HydrophobicContact CE1-CE1 4.34Å; F73-F155 HydrophobicContact CE1-CE2 4.34Å; F73-F155 AromaticContact CE1-CG 3.98Å; F73-F155 HydrophobicContact CE1-CG 3.98Å; F73-F155 HydrophobicContact CE1-CZ 4.45Å; F73-F155 AromaticContact CZ-CD1 3.87Å; F73-F155 HydrophobicContact CZ-CD1 3.87Å; F73-F155 HydrophobicContact CZ-CE1 4.23Å; F73-F155 HydrophobicContact CZ-CG 4.09Å; F73-E197 HydrophobicContact CB-CG 4.4Å; F73-E197 HydrophobicContact CD1-CB 3.75Å; F73-E197 HydrophobicContact CD1-CG 3.87Å; F73-E197 HydrophobicContact CE1-CB 3.78Å; F73-E197 HydrophobicContact CE1-CG 4.4Å; F73-E197 HydrophobicContact CG-CB 4.45Å; F73-E197 HydrophobicContact CG-CG 4.21Å; F73-E197 HydrophobicContact CZ-CB 4.49Å; F73-S240 VanDerWaalsContact CA-O 3.31Å; F73-S240 WeakPolarHBondContact CA-O 3.35Å; F73-S240 WeakPolarHBondContact CD2-O 3.45Å; F73-P242 HydrophobicContact CD2-CG 4.49Å
74	P	98.8	Very high	98.8	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.065	28%	0.277	C	S	.	.			trans	-84	62.4	-164.2	34.7	-36.8	0	0	0	112.5	W67 L72 D76 V77 M78 T119	W67-P74 HydrophobicContact CD2-CB 3.79Å; W67-P74 HydrophobicContact CD2-CG 4.23Å; W67-P74 HydrophobicContact CE3-CB 4.17Å; W67-P74 HydrophobicContact CE3-CG 4.21Å; W67-P74 HydrophobicContact CG-CB 4.34Å; W67-P74 HydrophobicContact CH2-CB 4.04Å; W67-P74 HydrophobicContact CZ2-CB 3.65Å; W67-P74 HydrophobicContact CZ3-CB 4.29Å; W67-P74 HydrophobicContact CZ3-CG 4.39Å; L72-P74 WeakPolarHBondContact O-CD 3.36Å; P74-D76 VanDerWaalsContact C-N 3.33Å; P74-D76 PolarHBondContact O-N 3.33Å; P74-V77 PolarHBondContact O-N 3.07Å; P74-M78 HydrophobicContact CG-CE 4.19Å; P74-M78 HydrophobicContact CG-CG 4.28Å; P74-M78 HydrophobicContact CG-SD 4.36Å; P74-M78 WeakPolarHBondContact O-CG 3.34Å; P74-M78 PolarHBondContact O-N 3.05Å; P74-T119 HydrophobicContact CG-CG2 3.67Å
75	V	98.8	Very high	98.8	Very high	37 Å²	37	56.7 Å²	56.7	22%	0.224	28%	0.283	C	S	.	.	H	α-helix	trans	-49.3	-50	-174.6	169.9	0	0	0	0	112.4	F73 V77 M78 R79 F155	F73-V75 HydrophobicContact CD1-CG2 3.55Å; F73-V75 HydrophobicContact CE1-CG2 3.93Å; F73-V75 PolarHBondContact O-N 2.85Å; V75-V77 PolarHBondContact O-N 3.08Å; V75-M78 PolarHBondContact O-N 3.29Å; V75-R79 WeakPolarHBondContact O-CG 3.14Å; V75-R79 PolarHBondContact O-N 2.8Å; V75-F155 HydrophobicContact CB-CE2 4.37Å; V75-F155 HydrophobicContact CB-CZ 4.43Å; V75-F155 HydrophobicContact CG1-CE2 3.83Å; V75-F155 HydrophobicContact CG1-CZ 4.1Å; V75-F155 HydrophobicContact CG2-CE2 4.06Å; V75-F155 HydrophobicContact CG2-CZ 4.35Å
76	D	98.8	Very high	98.8	Very high	120 Å²	120	54.6 Å²	54.6	64%	0.642	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-41.3	-175.2	-64.3	-22	0	0	0	112.1	P74 R79 K80	P74-D76 VanDerWaalsContact C-N 3.33Å; P74-D76 PolarHBondContact O-N 3.33Å; D76-R79 PolarHBondContact O-N 3.09Å; D76-K80 WeakPolarHBondContact O-CG 3.5Å; D76-K80 PolarHBondContact O-N 3.5Å
77	V	98.9	Very high	98.8	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-39.6	177.7	176.4	0	0	0	0	110.9	F55 E59 M60 W67 P74 V75 R79 K80 A81	F55-V77 HydrophobicContact CE1-CG1 4.05Å; F55-V77 HydrophobicContact CZ-CG1 3.74Å; F55-V77 WeakPolarHBondContact CZ-O 3.43Å; E59-V77 HydrophobicContact CB-CG1 3.98Å; M60-V77 HydrophobicContact CG-CG1 4.15Å; W67-V77 HydrophobicContact CH2-CB 3.97Å; W67-V77 HydrophobicContact CH2-CG1 3.9Å; W67-V77 HydrophobicContact CH2-CG2 3.92Å; W67-V77 HydrophobicContact CZ2-CB 4.06Å; W67-V77 HydrophobicContact CZ2-CG1 4.47Å; W67-V77 HydrophobicContact CZ2-CG2 3.65Å; P74-V77 PolarHBondContact O-N 3.07Å; V75-V77 PolarHBondContact O-N 3.08Å; V77-R79 VanDerWaalsContact C-N 3.32Å; V77-R79 PolarHBondContact O-N 3.49Å; V77-K80 PolarHBondContact O-N 2.94Å; V77-A81 PolarHBondContact O-N 2.86Å
78	M	98.9	Very high	98.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-38.6	175.4	-71	-174.3	-62.7	0	0	112	F73 P74 V75 A81 A82 T119 Y122 M123 M152 F155	F73-M78 HydrophobicContact CD1-CE 4.06Å; F73-M78 HydrophobicContact CD2-CE 3.81Å; F73-M78 HydrophobicContact CE1-CE 3.67Å; F73-M78 HydrophobicContact CE2-CE 3.42Å; F73-M78 VanDerWaalsContact CE2-CE 3.42Å; F73-M78 HydrophobicContact CE2-SD 4.2Å; F73-M78 HydrophobicContact CG-CE 4.11Å; F73-M78 HydrophobicContact CZ-CE 3.33Å; F73-M78 HydrophobicContact CZ-SD 4.36Å; P74-M78 HydrophobicContact CG-CE 4.19Å; P74-M78 HydrophobicContact CG-CG 4.28Å; P74-M78 HydrophobicContact CG-SD 4.36Å; P74-M78 WeakPolarHBondContact O-CG 3.34Å; P74-M78 PolarHBondContact O-N 3.05Å; V75-M78 PolarHBondContact O-N 3.29Å; M78-A81 WeakPolarHBondContact O-CB 3.36Å; M78-A81 PolarHBondContact O-N 2.89Å; M78-A81 VanDerWaalsContact O-N 3.16Å; M78-A82 PolarHBondContact O-N 2.8Å; M78-T119 HydrophobicContact CG-CG2 3.91Å; M78-T119 HydrophobicContact SD-CG2 4.11Å; M78-Y122 HydrophobicContact CE-CD1 4.32Å; M78-Y122 HydrophobicContact CE-CE1 4.21Å; M78-Y122 HydrophobicContact SD-CD1 3.48Å; M78-Y122 WeakPolarHBondContact SD-CD1 3.43Å; M78-Y122 HydrophobicContact SD-CE1 3.77Å; M78-M123 HydrophobicContact CG-CG 4.28Å; M78-M123 HydrophobicContact CG-SD 4.48Å; M78-M123 HydrophobicContact SD-CG 4.31Å; M78-M152 HydrophobicContact CB-SD 3.72Å; M78-F155 HydrophobicContact CB-CE1 4.05Å; M78-F155 HydrophobicContact CB-CZ 4.28Å; M78-F155 HydrophobicContact CE-CD1 4.4Å; M78-F155 HydrophobicContact CE-CE1 3.66Å; M78-F155 HydrophobicContact CE-CZ 4Å; M78-F155 HydrophobicContact SD-CE1 4.21Å
79	R	98.9	Very high	98.8	Very high	97 Å²	97	49.4 Å²	49.4	37%	0.366	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-39.4	172.6	-76.5	174.5	175.6	165.7	-3.4	113.1	V75 D76 V77 A81 A82 Q83 M152 E153	V75-R79 WeakPolarHBondContact O-CG 3.14Å; V75-R79 PolarHBondContact O-N 2.8Å; D76-R79 PolarHBondContact O-N 3.09Å; V77-R79 VanDerWaalsContact C-N 3.32Å; V77-R79 PolarHBondContact O-N 3.49Å; R79-A81 VanDerWaalsContact C-N 3.29Å; R79-A81 PolarHBondContact O-N 3.43Å; R79-A82 WeakPolarHBondContact O-CB 3.2Å; R79-A82 PolarHBondContact O-N 2.84Å; R79-Q83 WeakPolarHBondContact O-CG 3.48Å; R79-Q83 PolarHBondContact O-N 2.75Å; R79-M152 HydrophobicContact CG-CB 4.1Å; R79-M152 VanDerWaalsContact CG-O 3.29Å; R79-M152 WeakPolarHBondContact CG-O 3.25Å; R79-M152 PolarHBondContact NE-O 3.16Å; R79-E153 PolarHBondContact NH2-O 3.4Å
80	K	98.9	Very high	98.8	Very high	90 Å²	90	44.1 Å²	44.1	39%	0.391	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-38.2	171.2	-68	-179.8	-169.5	-175.9	0	111.7	F55 E59 D76 V77 A82 Q83	F55-K80 HydrophobicContact CE2-CB 3.83Å; F55-K80 HydrophobicContact CZ-CB 4.13Å; E59-K80 IonicContact OE2-NZ 3.13Å; E59-K80 PolarHBondContact OE2-NZ 3.49Å; D76-K80 WeakPolarHBondContact O-CG 3.5Å; D76-K80 PolarHBondContact O-N 3.5Å; V77-K80 PolarHBondContact O-N 2.94Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-Q83 WeakPolarHBondContact O-CB 3.48Å; K80-Q83 PolarHBondContact O-N 2.94Å
81	A	98.9	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-39.7	174.8	0	0	0	0	0	111.2	F55 V77 M78 R79 Q83 L84 F86 M123	F55-A81 HydrophobicContact CD1-CB 4.48Å; F55-A81 HydrophobicContact CE1-CB 3.63Å; F55-A81 HydrophobicContact CE2-CB 4.38Å; F55-A81 HydrophobicContact CZ-CB 3.58Å; V77-A81 PolarHBondContact O-N 2.86Å; M78-A81 WeakPolarHBondContact O-CB 3.36Å; M78-A81 PolarHBondContact O-N 2.89Å; M78-A81 VanDerWaalsContact O-N 3.16Å; R79-A81 VanDerWaalsContact C-N 3.29Å; R79-A81 PolarHBondContact O-N 3.43Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 2.83Å; A81-L84 WeakPolarHBondContact O-CB 3.48Å; A81-L84 PolarHBondContact O-N 2.87Å; A81-F86 HydrophobicContact CB-CB 4.25Å; A81-F86 HydrophobicContact CB-CD2 4.2Å; A81-F86 WeakPolarHBondContact O-CB 3.49Å; A81-F86 PolarHBondContact O-N 2.9Å; A81-F86 VanDerWaalsContact O-N 3.09Å; A81-M123 HydrophobicContact CB-CE 3.56Å; A81-M123 HydrophobicContact CB-SD 4.3Å
82	A	98.9	Very high	98.8	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-34.7	175.7	0	0	0	0	0	113.2	M78 R79 K80 L84 G85 T151 M152	M78-A82 PolarHBondContact O-N 2.8Å; R79-A82 WeakPolarHBondContact O-CB 3.2Å; R79-A82 PolarHBondContact O-N 2.84Å; K80-A82 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.46Å; A82-G85 WeakPolarHBondContact O-CA 3.35Å; A82-G85 PolarHBondContact O-N 3.14Å; A82-T151 WeakPolarHBondContact CB-O 3.34Å; A82-M152 HydrophobicContact CB-CB 3.88Å; A82-M152 HydrophobicContact CB-CG 3.84Å; A82-M152 HydrophobicContact CB-SD 4.06Å
83	Q	98.7	Very high	98.8	Very high	163 Å²	163	42.7 Å²	42.7	76%	0.762	22%	0.216	S	C	*	.	H	α-helix	trans	-62.2	-21.6	172.5	-68.1	169.4	3.8	0	0	113.4	R79 K80 A81 G85	R79-Q83 WeakPolarHBondContact O-CG 3.48Å; R79-Q83 PolarHBondContact O-N 2.75Å; K80-Q83 WeakPolarHBondContact O-CB 3.48Å; K80-Q83 PolarHBondContact O-N 2.94Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 2.83Å; Q83-G85 VanDerWaalsContact C-N 3.31Å
84	L	98.6	Very high	98.8	Very high	78 Å²	78	45 Å²	45	41%	0.408	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.4	172.7	-57	176.3	0	0	0	112.8	V51 F55 A81 A82 F86	V51-L84 HydrophobicContact CG1-CD1 4.17Å; F55-L84 HydrophobicContact CB-CD1 4.01Å; F55-L84 HydrophobicContact CD2-CD1 3.46Å; F55-L84 VanDerWaalsContact CD2-CD1 3.46Å; F55-L84 HydrophobicContact CE2-CD1 4.15Å; F55-L84 HydrophobicContact CG-CD1 3.88Å; A81-L84 WeakPolarHBondContact O-CB 3.48Å; A81-L84 PolarHBondContact O-N 2.87Å; A82-L84 PolarHBondContact O-N 3.46Å; L84-F86 HydrophobicContact CB-CD2 4.09Å; L84-F86 HydrophobicContact CB-CE2 3.92Å; L84-F86 HydrophobicContact CB-CG 4.47Å; L84-F86 HydrophobicContact CB-CZ 4.16Å; L84-F86 HydrophobicContact CD1-CD2 4.46Å; L84-F86 HydrophobicContact CD1-CE2 3.95Å
85	G	98.6	Very high	98.8	Very high	16 Å²	16	44.7 Å²	44.7	17%	0.165	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-2.9	-176.8	0	0	0	0	0	114.7	A82 Q83 G87 G88 S98	A82-G85 WeakPolarHBondContact O-CA 3.35Å; A82-G85 PolarHBondContact O-N 3.14Å; Q83-G85 VanDerWaalsContact C-N 3.31Å; G85-G87 VanDerWaalsContact C-N 3.26Å; G85-G87 PolarHBondContact O-N 3.05Å; G85-G88 PolarHBondContact O-N 2.81Å; G85-S98 WeakPolarHBondContact CA-OG 3.18Å; G85-S98 PolarHBondContact O-OG 2.88Å
86	F	98.8	Very high	98.8	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.035	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.9	-171.4	-52.5	-29	0	0	0	115.2	V51 A52 A81 L84 V89 I108 L112 M123 N127	V51-F86 HydrophobicContact CG1-CZ 4.09Å; A52-F86 HydrophobicContact CB-CE2 4.12Å; A52-F86 HydrophobicContact CB-CZ 3.87Å; A81-F86 HydrophobicContact CB-CB 4.25Å; A81-F86 HydrophobicContact CB-CD2 4.2Å; A81-F86 WeakPolarHBondContact O-CB 3.49Å; A81-F86 PolarHBondContact O-N 2.9Å; A81-F86 VanDerWaalsContact O-N 3.09Å; L84-F86 HydrophobicContact CB-CD2 4.09Å; L84-F86 HydrophobicContact CB-CE2 3.92Å; L84-F86 HydrophobicContact CB-CG 4.47Å; L84-F86 HydrophobicContact CB-CZ 4.16Å; L84-F86 HydrophobicContact CD1-CD2 4.46Å; L84-F86 HydrophobicContact CD1-CE2 3.95Å; F86-V89 HydrophobicContact CB-CG2 4.37Å; F86-V89 HydrophobicContact CD1-CG2 4.42Å; F86-I108 HydrophobicContact CD1-CD1 4.29Å; F86-I108 HydrophobicContact CD1-CG2 3.69Å; F86-I108 HydrophobicContact CE1-CD1 3.94Å; F86-I108 HydrophobicContact CE1-CG1 4.13Å; F86-I108 HydrophobicContact CE1-CG2 3.71Å; F86-I108 HydrophobicContact CG-CG2 4.14Å; F86-I108 HydrophobicContact CZ-CG2 4.16Å; F86-L112 HydrophobicContact CD2-CD1 4.03Å; F86-L112 HydrophobicContact CD2-CD2 4.23Å; F86-L112 HydrophobicContact CE2-CD2 4.22Å; F86-L112 HydrophobicContact CG-CD1 4.35Å; F86-M123 HydrophobicContact CB-CE 3.67Å; F86-N127 PolarHBondContact O-ND2 2.88Å
87	G	98.5	Very high	98.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.1	173.1	0	0	0	0	0	113.3	G85 H126 N127 C150	G85-G87 VanDerWaalsContact C-N 3.26Å; G85-G87 PolarHBondContact O-N 3.05Å; G87-H126 PolarHBondContact O-CD2 3.35Å; G87-H126 PolarHBondContact O-NE2 2.96Å; G87-N127 PolarHBondContact O-ND2 3.32Å; G87-N127 PolarHBondContact O-OD1 3.37Å; G87-C150 WeakPolarHBondContact CA-O 3.48Å
88	G	98.8	Very high	98.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	-143.4	59.8	179.3	0	0	0	0	0	111.3	G85 Y90 V91 G97 S98 N127	G85-G88 PolarHBondContact O-N 2.81Å; G88-Y90 PolarHBondContact O-N 3.37Å; G88-V91 PolarHBondContact O-N 3.14Å; G88-G97 CarbonylContact O-C 3.46Å; G88-G97 WeakPolarHBondContact O-CA 3.44Å; G88-S98 PolarHBondContact O-N 3.49Å; G88-N127 WeakPolarHBondContact CA-OD1 3.2Å
89	V	98.9	Very high	98.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-50.3	-173	179.9	0	0	0	0	111.8	F86 S98 G99 L100 T105 I108 F109 N127	F86-V89 HydrophobicContact CB-CG2 4.37Å; F86-V89 HydrophobicContact CD1-CG2 4.42Å; V89-S98 WeakPolarHBondContact O-CB 3.45Å; V89-G99 PolarHBondContact O-N 3.41Å; V89-L100 HydrophobicContact CG1-CB 4.15Å; V89-L100 HydrophobicContact CG1-CD1 4.18Å; V89-L100 VanDerWaalsContact O-CB 3.31Å; V89-L100 WeakPolarHBondContact O-CB 3.36Å; V89-L100 PolarHBondContact O-N 3.43Å; V89-T105 HydrophobicContact CG1-CG2 4.13Å; V89-T105 WeakPolarHBondContact CG1-OG1 3.44Å; V89-I108 HydrophobicContact CG1-CD1 3.9Å; V89-F109 HydrophobicContact CG2-CE1 4.48Å; V89-F109 HydrophobicContact CG2-CZ 4.32Å; V89-N127 PolarHBondContact N-OD1 2.94Å
90	Y	98.6	Very high	98.7	Very high	18 Å²	18	40.4 Å²	40.4	7%	0.071	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	29.4	-177.3	57.4	-87.9	0	0	0	112.2	G88 L100 T105 F109 N127 M128 W131	G88-Y90 PolarHBondContact O-N 3.37Å; Y90-L100 WeakPolarHBondContact CB-O 3.36Å; Y90-T105 HydrophobicContact CD1-CG2 3.54Å; Y90-T105 WeakPolarHBondContact CD1-OG1 3.33Å; Y90-T105 HydrophobicContact CE1-CG2 3.76Å; Y90-F109 HydrophobicContact CE1-CE2 4.47Å; Y90-N127 HydrophobicContact CE1-CB 3.69Å; Y90-N127 VanDerWaalsContact OH-C 3.3Å; Y90-M128 VanDerWaalsContact OH-CA 3.24Å; Y90-M128 WeakPolarHBondContact OH-CA 3.38Å; Y90-M128 PolarHBondContact OH-N 3.21Å; Y90-M128 VanDerWaalsContact OH-N 3.08Å; Y90-W131 HydrophobicContact CD2-CB 3.78Å; Y90-W131 AromaticContact CD2-CD1 3.41Å; Y90-W131 VanDerWaalsContact CD2-CD1 3.41Å; Y90-W131 AromaticContact CD2-CG 3.65Å; Y90-W131 HydrophobicContact CD2-CG 3.65Å; Y90-W131 HydrophobicContact CE2-CB 3.28Å; Y90-W131 AromaticContact CE2-CD1 3.64Å; Y90-W131 HydrophobicContact CE2-CD2 4.14Å; Y90-W131 AromaticContact CE2-CG 3.35Å; Y90-W131 HydrophobicContact CE2-CG 3.35Å
91	V	98.8	Very high	98.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-94.3	145.7	168.6	176.2	0	0	0	0	107.9	G88 V95 G97 S98 G99 A130 D134 C146	G88-V91 PolarHBondContact O-N 3.14Å; V91-V95 HydrophobicContact CG1-CG2 3.7Å; V91-G97 CarbonylContact O-C 3.56Å; V91-G97 WeakPolarHBondContact O-CA 3.38Å; V91-S98 PolarHBondContact O-N 3.49Å; V91-G99 WeakPolarHBondContact O-CA 3.16Å; V91-G99 PolarHBondContact O-N 2.99Å; V91-A130 HydrophobicContact CG2-CB 3.73Å; V91-D134 HydrophobicContact CG1-CB 4.02Å; V91-C146 HydrophobicContact CG1-CB 4.44Å
92	Q	98.8	Very high	98.7	Very high	98 Å²	98	39.1 Å²	39.1	46%	0.458	24%	0.237	S	C	.	.			trans	-61.3	149.4	-179.9	-68.9	-179.3	62.7	0	0	112.9	D94 V95 G97 D134	Q92-D94 WeakPolarHBondContact CB-OD1 3.01Å; Q92-V95 WeakPolarHBondContact O-CG2 3.08Å; Q92-V95 PolarHBondContact O-N 2.73Å; Q92-G97 WeakPolarHBondContact O-CA 3.42Å; Q92-G97 PolarHBondContact O-N 3.3Å; Q92-D134 WeakPolarHBondContact CG-OD2 3.44Å; Q92-D134 PolarHBondContact N-OD2 2.86Å
93	T	98.8	Very high	98.7	Very high	102 Å²	102	39.9 Å²	39.9	63%	0.626	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-73.4	-25.8	-173.6	52.6	0	0	0	0	113.4	V95 G96 G97	T93-V95 PolarHBondContact O-N 3.4Å; T93-G96 PolarHBondContact O-N 3.35Å; T93-G96 VanDerWaalsContact O-N 3.11Å; T93-G97 WeakPolarHBondContact CA-O 3.17Å
94	D	98.8	Very high	98.7	Very high	80 Å²	80	32.9 Å²	32.9	43%	0.428	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.9	-27.4	177	66.3	-33.9	0	0	0	112.7	Q92 R142	Q92-D94 WeakPolarHBondContact CB-OD1 3.01Å; D94-R142 VanDerWaalsContact CG-NH2 3.26Å; D94-R142 IonicContact OD1-NH2 3.14Å; D94-R142 PolarHBondContact OD1-NH2 2.66Å; D94-R142 IonicContact OD2-CZ 3.43Å; D94-R142 IonicContact OD2-NH1 3.4Å; D94-R142 PolarHBondContact OD2-NH1 2.9Å; D94-R142 IonicContact OD2-NH2 2.79Å; D94-R142 PolarHBondContact OD2-NH2 2.85Å
95	V	98.8	Very high	98.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-108.4	20.6	176.2	-62	0	0	0	0	113.6	V91 Q92 T93 R142 C146 P147	V91-V95 HydrophobicContact CG1-CG2 3.7Å; Q92-V95 WeakPolarHBondContact O-CG2 3.08Å; Q92-V95 PolarHBondContact O-N 2.73Å; T93-V95 PolarHBondContact O-N 3.4Å; V95-R142 HydrophobicContact CG1-CB 4.1Å; V95-C146 HydrophobicContact CB-CB 3.82Å; V95-C146 HydrophobicContact CG2-CB 3.64Å; V95-P147 HydrophobicContact CB-CG 4.48Å; V95-P147 WeakPolarHBondContact O-CA 3.39Å
96	G	98.6	Very high	98.7	Very high	52 Å²	52	28.4 Å²	28.4	54%	0.536	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	5.9	172.3	0	0	0	0	0	115.7	T93 C150	T93-G96 PolarHBondContact O-N 3.35Å; T93-G96 VanDerWaalsContact O-N 3.11Å; G96-C150 VanDerWaalsContact O-CB 3.25Å; G96-C150 WeakPolarHBondContact O-CB 3.32Å
97	G	98.8	Very high	98.7	Very high	11 Å²	11	28 Å²	28	11%	0.113	18%	0.178	C	C	.	.			trans	-75.9	177.1	173	0	0	0	0	0	113.3	G88 V91 Q92 T93	G88-G97 CarbonylContact O-C 3.46Å; G88-G97 WeakPolarHBondContact O-CA 3.44Å; V91-G97 CarbonylContact O-C 3.56Å; V91-G97 WeakPolarHBondContact O-CA 3.38Å; Q92-G97 WeakPolarHBondContact O-CA 3.42Å; Q92-G97 PolarHBondContact O-N 3.3Å; T93-G97 WeakPolarHBondContact CA-O 3.17Å
98	S	98.8	Very high	98.8	Very high	38 Å²	38	28 Å²	28	27%	0.266	18%	0.178	S	C	.	.			trans	-94.1	-11.8	178.4	-56	0	0	0	0	113.5	G85 G88 V89 V91 L100	G85-S98 WeakPolarHBondContact CA-OG 3.18Å; G85-S98 PolarHBondContact O-OG 2.88Å; G88-S98 PolarHBondContact O-N 3.49Å; V89-S98 WeakPolarHBondContact O-CB 3.45Å; V91-S98 PolarHBondContact O-N 3.49Å; S98-L100 PolarHBondContact O-N 2.93Å
99	G	98.4	Very high	98.8	Very high	46 Å²	46	28 Å²	28	47%	0.474	18%	0.178	S	C	.	.			trans	62.6	22.2	177.6	0	0	0	0	0	115.1	V89 V91	V89-G99 PolarHBondContact O-N 3.41Å; V91-G99 WeakPolarHBondContact O-CA 3.16Å; V91-G99 PolarHBondContact O-N 2.99Å
100	L	98.7	Very high	98.8	Very high	35 Å²	35	28.1 Å²	28.1	18%	0.183	18%	0.179	C	C	.	.			trans	-82.1	157.9	-174.3	-55.6	-175.7	0	0	0	112.5	F48 V89 Y90 S98 D104 I108	F48-L100 HydrophobicContact CD2-CD1 4.25Å; F48-L100 HydrophobicContact CE2-CD1 4.01Å; F48-L100 HydrophobicContact CE2-CD2 3.79Å; F48-L100 HydrophobicContact CE2-CG 4.5Å; F48-L100 HydrophobicContact CZ-CD1 4.15Å; F48-L100 HydrophobicContact CZ-CD2 3.66Å; V89-L100 HydrophobicContact CG1-CB 4.15Å; V89-L100 HydrophobicContact CG1-CD1 4.18Å; V89-L100 VanDerWaalsContact O-CB 3.31Å; V89-L100 WeakPolarHBondContact O-CB 3.36Å; V89-L100 PolarHBondContact O-N 3.43Å; Y90-L100 WeakPolarHBondContact CB-O 3.36Å; S98-L100 PolarHBondContact O-N 2.93Å; L100-D104 HydrophobicContact CB-CB 3.93Å; L100-D104 HydrophobicContact CD1-CB 4.47Å; L100-I108 HydrophobicContact CD1-CD1 3.69Å
101	S	98.7	Very high	98.8	Very high	33 Å²	33	27.5 Å²	27.5	23%	0.231	18%	0.177	C	C	.	.			trans	-75.6	174.1	-176.6	76.5	0	0	0	0	113.2	L103 D104 T105 Q341	S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact OG-N 3.05Å; S101-D104 VanDerWaalsContact CB-OD2 3.23Å; S101-D104 WeakPolarHBondContact CB-OD2 3.45Å; S101-D104 PolarHBondContact N-OD2 2.84Å; S101-D104 PolarHBondContact O-N 3.35Å; S101-D104 PolarHBondContact OG-N 2.87Å; S101-D104 PolarHBondContact OG-OD1 2.87Å; S101-D104 PolarHBondContact OG-OD2 3.44Å; S101-T105 WeakPolarHBondContact O-CB 3.46Å; S101-T105 PolarHBondContact O-N 3.22Å; S101-T105 PolarHBondContact O-OG1 2.79Å; S101-Q341 PolarHBondContact OG-OE1 3Å
102	R	98.6	Very high	98.8	Very high	30 Å²	30	27.5 Å²	27.5	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-38.5	174.3	-66.6	-62.7	-175.9	-167.8	-5.1	111.8	S106 A337 L340 Q341	R102-S106 PolarHBondContact O-N 2.85Å; R102-A337 HydrophobicContact CB-CB 4.26Å; R102-A337 WeakPolarHBondContact CB-O 3.32Å; R102-L340 HydrophobicContact CG-CB 4.43Å; R102-L340 HydrophobicContact CG-CD2 4.2Å; R102-L340 HydrophobicContact CG-CG 4.32Å; R102-Q341 HydrophobicContact CB-CB 4.11Å; R102-Q341 HydrophobicContact CG-CB 4.06Å
103	L	98.8	Very high	98.8	Very high	26 Å²	26	22.9 Å²	22.9	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-45	176.9	-179.4	56	0	0	0	111.3	S101 T105 S106 V107 R334 A337	S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact OG-N 3.05Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 2.96Å; L103-S106 WeakPolarHBondContact O-CB 3.37Å; L103-S106 PolarHBondContact O-N 2.8Å; L103-V107 HydrophobicContact CD1-CG2 4.46Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.14Å; L103-R334 HydrophobicContact CD1-CB 3.87Å; L103-R334 HydrophobicContact CD1-CG 3.69Å; L103-A337 HydrophobicContact CB-CB 4.45Å
104	D	98.9	Very high	98.8	Very high	15 Å²	15	18.9 Å²	18.9	8%	0.08	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-43.6	177.7	-50.8	-31.2	0	0	0	110.7	Q45 F48 L100 S101 S106 V107 I108	Q45-D104 WeakPolarHBondContact CG-OD1 3.49Å; Q45-D104 PolarHBondContact NE2-OD1 3.08Å; F48-D104 HydrophobicContact CD2-CB 4.1Å; F48-D104 HydrophobicContact CE2-CB 4.33Å; L100-D104 HydrophobicContact CB-CB 3.93Å; L100-D104 HydrophobicContact CD1-CB 4.47Å; S101-D104 VanDerWaalsContact CB-OD2 3.23Å; S101-D104 WeakPolarHBondContact CB-OD2 3.45Å; S101-D104 PolarHBondContact N-OD2 2.84Å; S101-D104 PolarHBondContact O-N 3.35Å; S101-D104 PolarHBondContact OG-N 2.87Å; S101-D104 PolarHBondContact OG-OD1 2.87Å; S101-D104 PolarHBondContact OG-OD2 3.44Å; D104-S106 PolarHBondContact O-N 2.79Å; D104-V107 PolarHBondContact O-N 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.45Å; D104-I108 PolarHBondContact O-N 3.43Å
105	T	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-46.9	175.4	-58.1	0	0	0	0	112	V89 Y90 S101 L103 V107 I108 F109 N279	V89-T105 HydrophobicContact CG1-CG2 4.13Å; V89-T105 WeakPolarHBondContact CG1-OG1 3.44Å; Y90-T105 HydrophobicContact CD1-CG2 3.54Å; Y90-T105 WeakPolarHBondContact CD1-OG1 3.33Å; Y90-T105 HydrophobicContact CE1-CG2 3.76Å; S101-T105 WeakPolarHBondContact O-CB 3.46Å; S101-T105 PolarHBondContact O-N 3.22Å; S101-T105 PolarHBondContact O-OG1 2.79Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 2.96Å; T105-V107 VanDerWaalsContact C-N 3.29Å; T105-V107 PolarHBondContact O-N 3.43Å; T105-I108 PolarHBondContact O-N 2.93Å; T105-F109 HydrophobicContact CG2-CD2 3.59Å; T105-F109 HydrophobicContact CG2-CE2 3.36Å; T105-F109 HydrophobicContact CG2-CZ 4.23Å; T105-F109 PolarHBondContact O-N 2.63Å; T105-N279 WeakPolarHBondContact CG2-OD1 3.41Å
106	S	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-40.2	177.4	174.1	0	0	0	0	111.8	R102 L103 D104 E110 S282 I333	R102-S106 PolarHBondContact O-N 2.85Å; L103-S106 WeakPolarHBondContact O-CB 3.37Å; L103-S106 PolarHBondContact O-N 2.8Å; D104-S106 PolarHBondContact O-N 2.79Å; S106-E110 VanDerWaalsContact O-CB 3.23Å; S106-E110 WeakPolarHBondContact O-CB 3.24Å; S106-E110 PolarHBondContact O-N 2.92Å; S106-S282 WeakPolarHBondContact CA-OG 3.33Å; S106-S282 WeakPolarHBondContact CB-OG 3.29Å; S106-S282 WeakPolarHBondContact O-CB 3.12Å; S106-S282 PolarHBondContact OG-OG 3.4Å; S106-I333 WeakPolarHBondContact OG-CG2 3.45Å
107	V	98.9	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.9	-44.4	179.3	169.2	0	0	0	0	111	L41 Q49 L103 D104 T105 A111	L41-V107 HydrophobicContact CD1-CG1 3.93Å; L41-V107 HydrophobicContact CD1-CG2 3.87Å; L41-V107 HydrophobicContact CD2-CG2 3.72Å; L41-V107 HydrophobicContact CG-CG2 4.48Å; Q49-V107 HydrophobicContact CB-CG1 3.5Å; Q49-V107 VanDerWaalsContact CB-CG1 3.5Å; Q49-V107 HydrophobicContact CG-CG1 3.96Å; L103-V107 HydrophobicContact CD1-CG2 4.46Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.14Å; D104-V107 PolarHBondContact O-N 3.26Å; T105-V107 VanDerWaalsContact C-N 3.29Å; T105-V107 PolarHBondContact O-N 3.43Å; V107-A111 PolarHBondContact O-N 3.42Å; V107-A111 VanDerWaalsContact O-N 3.09Å
108	I	98.9	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-49.9	177.4	-70.2	163.7	0	0	0	110.6	F48 A52 F86 V89 L100 D104 T105 E110 A111 L112	F48-I108 HydrophobicContact CB-CD1 4.28Å; F48-I108 HydrophobicContact CB-CG1 4.08Å; A52-I108 HydrophobicContact CB-CB 4.5Å; A52-I108 HydrophobicContact CB-CG2 4.18Å; F86-I108 HydrophobicContact CD1-CD1 4.29Å; F86-I108 HydrophobicContact CD1-CG2 3.69Å; F86-I108 HydrophobicContact CE1-CD1 3.94Å; F86-I108 HydrophobicContact CE1-CG1 4.13Å; F86-I108 HydrophobicContact CE1-CG2 3.71Å; F86-I108 HydrophobicContact CG-CG2 4.14Å; F86-I108 HydrophobicContact CZ-CG2 4.16Å; V89-I108 HydrophobicContact CG1-CD1 3.9Å; L100-I108 HydrophobicContact CD1-CD1 3.69Å; D104-I108 WeakPolarHBondContact O-CG1 3.45Å; D104-I108 PolarHBondContact O-N 3.43Å; T105-I108 PolarHBondContact O-N 2.93Å; I108-E110 PolarHBondContact O-N 3.4Å; I108-A111 PolarHBondContact O-N 3.36Å; I108-L112 HydrophobicContact CG2-CD1 3.8Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 2.99Å
109	F	98.9	Very high	98.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.7	-32.2	-179.4	-69.5	-33.6	0	0	0	113.4	V89 Y90 T105 A111 L112 A113 T120 M123 N127 N279	V89-F109 HydrophobicContact CG2-CE1 4.48Å; V89-F109 HydrophobicContact CG2-CZ 4.32Å; Y90-F109 HydrophobicContact CE1-CE2 4.47Å; T105-F109 HydrophobicContact CG2-CD2 3.59Å; T105-F109 HydrophobicContact CG2-CE2 3.36Å; T105-F109 HydrophobicContact CG2-CZ 4.23Å; T105-F109 PolarHBondContact O-N 2.63Å; F109-A111 VanDerWaalsContact C-N 3.35Å; F109-L112 HydrophobicContact CD1-CD1 4.17Å; F109-A113 WeakPolarHBondContact O-CB 3.34Å; F109-A113 PolarHBondContact O-N 2.65Å; F109-T120 HydrophobicContact CB-CG2 4.06Å; F109-T120 HydrophobicContact CD1-CG2 3.78Å; F109-T120 HydrophobicContact CG-CG2 4.25Å; F109-M123 HydrophobicContact CE1-CB 4.41Å; F109-N127 HydrophobicContact CZ-CB 4.32Å; F109-N279 HydrophobicContact CD2-CB 3.83Å; F109-N279 HydrophobicContact CE2-CB 4.15Å
110	E	98.9	Very high	98.9	Very high	5 Å²	5	8 Å²	8	2%	0.023	4%	0.044	C	C	.	.	H	α-helix	trans	-57.3	-49.5	168.9	176.3	-178.3	-170.9	0	0	110.7	S106 I108 S282 L285 G286 R330 R334	S106-E110 VanDerWaalsContact O-CB 3.23Å; S106-E110 WeakPolarHBondContact O-CB 3.24Å; S106-E110 PolarHBondContact O-N 2.92Å; I108-E110 PolarHBondContact O-N 3.4Å; E110-S282 WeakPolarHBondContact CA-O 3.39Å; E110-L285 HydrophobicContact CB-CD2 4.48Å; E110-L285 HydrophobicContact CG-CB 4.4Å; E110-L285 HydrophobicContact CG-CD2 3.86Å; E110-L285 HydrophobicContact CG-CG 4.01Å; E110-L285 VanDerWaalsContact OE1-CD2 3.22Å; E110-L285 WeakPolarHBondContact OE1-CD2 3.42Å; E110-L285 WeakPolarHBondContact OE1-CG 3.47Å; E110-G286 WeakPolarHBondContact O-CA 3.47Å; E110-R330 IonicContact OE1-CZ 3.73Å; E110-R330 IonicContact OE1-NE 3.81Å; E110-R330 PolarHBondContact OE1-NE 3.17Å; E110-R330 IonicContact OE1-NH2 2.81Å; E110-R330 PolarHBondContact OE1-NH2 2.93Å; E110-R330 IonicContact OE2-NE 2.71Å; E110-R334 IonicContact OE2-CZ 3.37Å; E110-R334 IonicContact OE2-NH2 2.94Å; E110-R334 PolarHBondContact OE2-NH2 3.02Å
111	A	98.9	Very high	98.9	Very high	5 Å²	5	6.4 Å²	6.4	4%	0.041	4%	0.036	C	C	.	.	H	α-helix	trans	-65.1	-48.2	-179.6	0	0	0	0	0	112.3	A52 F53 V107 I108 F109 A113 T114	A52-A111 HydrophobicContact CB-CB 3.69Å; F53-A111 HydrophobicContact CB-CB 4.16Å; V107-A111 PolarHBondContact O-N 3.42Å; V107-A111 VanDerWaalsContact O-N 3.09Å; I108-A111 PolarHBondContact O-N 3.36Å; F109-A111 VanDerWaalsContact C-N 3.35Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 3.46Å; A111-T114 WeakPolarHBondContact O-CB 3.34Å; A111-T114 PolarHBondContact O-N 3.25Å; A111-T114 VanDerWaalsContact O-N 3.16Å; A111-T114 PolarHBondContact O-OG1 2.75Å
112	L	98.9	Very high	98.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.6	-38.3	178.9	-69.4	175.6	0	0	0	112.5	A52 F55 A56 M60 F86 I108 F109 T114 G115 C116 T120 M123	A52-L112 HydrophobicContact CB-CD2 4.28Å; A52-L112 HydrophobicContact CB-CG 4.19Å; F55-L112 HydrophobicContact CD1-CD2 3.71Å; F55-L112 HydrophobicContact CE1-CD2 4.41Å; A56-L112 HydrophobicContact CB-CD2 4.47Å; M60-L112 HydrophobicContact SD-CB 4.38Å; M60-L112 HydrophobicContact SD-CD2 3.85Å; F86-L112 HydrophobicContact CD2-CD1 4.03Å; F86-L112 HydrophobicContact CD2-CD2 4.23Å; F86-L112 HydrophobicContact CE2-CD2 4.22Å; F86-L112 HydrophobicContact CG-CD1 4.35Å; I108-L112 HydrophobicContact CG2-CD1 3.8Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 2.99Å; F109-L112 HydrophobicContact CD1-CD1 4.17Å; L112-T114 PolarHBondContact O-N 2.77Å; L112-G115 PolarHBondContact O-N 3.4Å; L112-C116 PolarHBondContact O-N 2.86Å; L112-T120 HydrophobicContact CB-CG2 3.62Å; L112-T120 WeakPolarHBondContact CB-OG1 3.24Å; L112-T120 PolarHBondContact O-OG1 3.37Å; L112-M123 HydrophobicContact CD1-CE 4.11Å; L112-M123 HydrophobicContact CD1-SD 4.45Å
113	A	98.9	Very high	98.9	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-68.3	-13.3	-179.2	0	0	0	0	0	114.1	F109 A111 G115 T117 T120 C283	F109-A113 WeakPolarHBondContact O-CB 3.34Å; F109-A113 PolarHBondContact O-N 2.65Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 3.46Å; A113-G115 PolarHBondContact O-N 3.4Å; A113-T117 PolarHBondContact O-OG1 3.25Å; A113-T117 VanDerWaalsContact O-OG1 3.06Å; A113-T120 WeakPolarHBondContact CA-OG1 3.14Å; A113-T120 HydrophobicContact CB-CG2 4.14Å; A113-T120 PolarHBondContact N-OG1 2.92Å; A113-C283 HydrophobicContact CB-CB 4.18Å; A113-C283 WeakPolarHBondContact CB-O 3.47Å
114	T	98.9	Very high	98.9	Very high	18 Å²	18	2.6 Å²	2.6	11%	0.11	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15	167.5	71.8	0	0	0	0	113.4	F53 A111 L112 A290 Y387	F53-T114 HydrophobicContact CE2-CG2 4.32Å; A111-T114 WeakPolarHBondContact O-CB 3.34Å; A111-T114 PolarHBondContact O-N 3.25Å; A111-T114 VanDerWaalsContact O-N 3.16Å; A111-T114 PolarHBondContact O-OG1 2.75Å; L112-T114 PolarHBondContact O-N 2.77Å; T114-A290 HydrophobicContact CG2-CB 4.46Å; T114-Y387 PolarHBondContact O-OH 2.96Å
115	G	98.9	Very high	98.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-50.7	175.6	0	0	0	0	0	112.6	A61 L112 A113	A61-G115 WeakPolarHBondContact CA-O 3.14Å; L112-G115 PolarHBondContact O-N 3.4Å; A113-G115 PolarHBondContact O-N 3.4Å
116	C	98.9	Very high	98.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.			trans	-157.4	104.7	173.2	177.6	0	0	0	0	110.7	M60 M64 W67 L112 S118 T119 T120	M60-C116 HydrophobicContact CB-CB 4.35Å; M60-C116 HydrophobicContact CE-CB 3.95Å; M64-C116 HydrophobicContact CB-CB 4.17Å; M64-C116 HydrophobicContact CG-CB 3.87Å; M64-C116 HydrophobicContact SD-CB 4.36Å; W67-C116 HydrophobicContact CE3-CB 4.44Å; W67-C116 HydrophobicContact CZ3-CB 4.27Å; L112-C116 PolarHBondContact O-N 2.86Å; C116-S118 PolarHBondContact O-N 3.48Å; C116-T119 PolarHBondContact O-N 3.35Å; C116-T119 PolarHBondContact SG-N 3.44Å; C116-T119 PolarHBondContact SG-OG1 3.02Å; C116-T120 PolarHBondContact O-N 3.18Å; C116-T120 PolarHBondContact O-OG1 3.19Å
117	T	98.9	Very high	98.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-59.6	-43.4	-177.8	-50.8	0	0	0	0	112.6	A113 T119 T120 A121 C283 A287 Y387 D390 H394	A113-T117 PolarHBondContact O-OG1 3.25Å; A113-T117 VanDerWaalsContact O-OG1 3.06Å; T117-T119 PolarHBondContact O-N 3.25Å; T117-T120 PolarHBondContact O-N 3.21Å; T117-A121 WeakPolarHBondContact O-CB 3.31Å; T117-A121 PolarHBondContact O-N 3.41Å; T117-C283 HydrophobicContact CG2-CB 4.27Å; T117-A287 HydrophobicContact CG2-CB 4.27Å; T117-A287 WeakPolarHBondContact OG1-CB 3.25Å; T117-Y387 WeakPolarHBondContact OG1-CD1 3.44Å; T117-D390 HydrophobicContact CG2-CB 4.13Å; T117-H394 WeakPolarHBondContact CG2-CE1 3.12Å
118	S	98.9	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-54.6	-47.9	175.4	173.2	0	0	0	0	113	C116 Y122 W238 S240 Q241 D390	C116-S118 PolarHBondContact O-N 3.48Å; S118-Y122 PolarHBondContact O-N 2.93Å; S118-W238 VanDerWaalsContact OG-C 3.27Å; S118-W238 WeakPolarHBondContact OG-CA 3.49Å; S118-S240 WeakPolarHBondContact CB-OG 3.36Å; S118-S240 PolarHBondContact OG-N 3.37Å; S118-S240 PolarHBondContact OG-OG 3.33Å; S118-Q241 PolarHBondContact O-NE2 3.11Å; S118-D390 WeakPolarHBondContact CB-OD2 3.44Å; S118-D390 PolarHBondContact N-OD2 2.95Å
119	T	98.9	Very high	98.9	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.006	2%	0.017	C	C	.	.	H	α-helix	trans	-70.7	-44.1	-178	-60.3	0	0	0	0	111.1	M60 P74 M78 C116 T117 A121 Y122 M123 S240	M60-T119 HydrophobicContact CE-CG2 4.13Å; P74-T119 HydrophobicContact CG-CG2 3.67Å; M78-T119 HydrophobicContact CG-CG2 3.91Å; M78-T119 HydrophobicContact SD-CG2 4.11Å; C116-T119 PolarHBondContact O-N 3.35Å; C116-T119 PolarHBondContact SG-N 3.44Å; C116-T119 PolarHBondContact SG-OG1 3.02Å; T117-T119 PolarHBondContact O-N 3.25Å; T119-A121 VanDerWaalsContact C-N 3.32Å; T119-A121 PolarHBondContact O-N 3.3Å; T119-Y122 WeakPolarHBondContact O-CB 3.38Å; T119-Y122 PolarHBondContact O-N 3.46Å; T119-M123 WeakPolarHBondContact O-CG 3.31Å; T119-M123 PolarHBondContact O-N 2.98Å; T119-S240 PolarHBondContact N-OG 3.19Å; T119-S240 PolarHBondContact OG1-OG 3.3Å
120	T	98.9	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.1	-41	177.4	-53.5	0	0	0	0	112.1	M60 F109 L112 A113 C116 T117 Y122 M123 S124	M60-T120 WeakPolarHBondContact CE-OG1 3.39Å; F109-T120 HydrophobicContact CB-CG2 4.06Å; F109-T120 HydrophobicContact CD1-CG2 3.78Å; F109-T120 HydrophobicContact CG-CG2 4.25Å; L112-T120 HydrophobicContact CB-CG2 3.62Å; L112-T120 WeakPolarHBondContact CB-OG1 3.24Å; L112-T120 PolarHBondContact O-OG1 3.37Å; A113-T120 WeakPolarHBondContact CA-OG1 3.14Å; A113-T120 HydrophobicContact CB-CG2 4.14Å; A113-T120 PolarHBondContact N-OG1 2.92Å; C116-T120 PolarHBondContact O-N 3.18Å; C116-T120 PolarHBondContact O-OG1 3.19Å; T117-T120 PolarHBondContact O-N 3.21Å; T120-Y122 VanDerWaalsContact C-N 3.31Å; T120-Y122 PolarHBondContact O-N 3.49Å; T120-M123 WeakPolarHBondContact O-CB 3.31Å; T120-M123 PolarHBondContact O-N 3.38Å; T120-M123 VanDerWaalsContact O-N 3.15Å; T120-S124 PolarHBondContact O-N 3.27Å
121	A	98.9	Very high	98.9	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.008	2%	0.022	C	C	.	.	H	α-helix	trans	-63.3	-38.1	177.6	0	0	0	0	0	112.1	T117 T119 S124 I125 W238 I280	T117-A121 WeakPolarHBondContact O-CB 3.31Å; T117-A121 PolarHBondContact O-N 3.41Å; T119-A121 VanDerWaalsContact C-N 3.32Å; T119-A121 PolarHBondContact O-N 3.3Å; A121-S124 WeakPolarHBondContact O-CB 3.48Å; A121-S124 PolarHBondContact O-N 2.9Å; A121-I125 WeakPolarHBondContact O-CG1 3.44Å; A121-I125 PolarHBondContact O-N 3.09Å; A121-I125 VanDerWaalsContact O-N 3.13Å; A121-W238 HydrophobicContact CB-CH2 3.74Å; A121-W238 HydrophobicContact CB-CZ2 3.21Å; A121-I280 HydrophobicContact CB-CD1 4.33Å
122	Y	98.9	Very high	98.9	Very high	1 Å²	1	4 Å²	4	0%	0.004	2%	0.02	C	C	.	.	H	α-helix	trans	-63.6	-44.3	171.4	173.8	-96.2	0	0	0	112	F73 M78 S118 T119 T120 S124 I125 H126 F155 A156 S198 Q241	F73-Y122 AromaticContact CE2-CD1 3.63Å; F73-Y122 HydrophobicContact CE2-CD1 3.63Å; F73-Y122 HydrophobicContact CE2-CD2 4.18Å; F73-Y122 AromaticContact CE2-CE1 3.44Å; F73-Y122 HydrophobicContact CE2-CE1 3.44Å; F73-Y122 VanDerWaalsContact CE2-CE1 3.44Å; F73-Y122 HydrophobicContact CE2-CE2 4.03Å; F73-Y122 HydrophobicContact CE2-CG 4Å; F73-Y122 AromaticContact CE2-CZ 3.67Å; F73-Y122 HydrophobicContact CZ-CD1 4.01Å; F73-Y122 AromaticContact CZ-CE1 3.32Å; F73-Y122 HydrophobicContact CZ-CE1 3.32Å; F73-Y122 HydrophobicContact CZ-CE2 4.17Å; F73-Y122 AromaticContact CZ-CZ 3.42Å; F73-Y122 VanDerWaalsContact CZ-CZ 3.42Å; M78-Y122 HydrophobicContact CE-CD1 4.32Å; M78-Y122 HydrophobicContact CE-CE1 4.21Å; M78-Y122 HydrophobicContact SD-CD1 3.48Å; M78-Y122 WeakPolarHBondContact SD-CD1 3.43Å; M78-Y122 HydrophobicContact SD-CE1 3.77Å; S118-Y122 PolarHBondContact O-N 2.93Å; T119-Y122 WeakPolarHBondContact O-CB 3.38Å; T119-Y122 PolarHBondContact O-N 3.46Å; T120-Y122 VanDerWaalsContact C-N 3.31Å; T120-Y122 PolarHBondContact O-N 3.49Å; Y122-S124 PolarHBondContact O-N 3.44Å; Y122-I125 WeakPolarHBondContact O-CB 3.37Å; Y122-I125 PolarHBondContact O-N 3.42Å; Y122-H126 HydrophobicContact CE1-CB 4.39Å; Y122-H126 PolarHBondContact O-N 2.95Å; Y122-F155 AromaticContact CE1-CD1 3.84Å; Y122-F155 HydrophobicContact CE1-CD1 3.84Å; Y122-F155 HydrophobicContact CE1-CE1 4.35Å; Y122-F155 WeakPolarHBondContact OH-CB 3.25Å; Y122-A156 PolarHBondContact OH-O 2.98Å; Y122-S198 PolarHBondContact OH-OG 3.2Å; Y122-Q241 HydrophobicContact CD2-CB 4.31Å; Y122-Q241 HydrophobicContact CG-CB 4.37Å
123	M	98.9	Very high	98.9	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-58.1	-36.9	175.6	-66	177.2	62.7	0	0	112	M78 A81 F86 F109 L112 T119 T120 H126 N127 M152	M78-M123 HydrophobicContact CG-CG 4.28Å; M78-M123 HydrophobicContact CG-SD 4.48Å; M78-M123 HydrophobicContact SD-CG 4.31Å; A81-M123 HydrophobicContact CB-CE 3.56Å; A81-M123 HydrophobicContact CB-SD 4.3Å; F86-M123 HydrophobicContact CB-CE 3.67Å; F109-M123 HydrophobicContact CE1-CB 4.41Å; L112-M123 HydrophobicContact CD1-CE 4.11Å; L112-M123 HydrophobicContact CD1-SD 4.45Å; T119-M123 WeakPolarHBondContact O-CG 3.31Å; T119-M123 PolarHBondContact O-N 2.98Å; T120-M123 WeakPolarHBondContact O-CB 3.31Å; T120-M123 PolarHBondContact O-N 3.38Å; T120-M123 VanDerWaalsContact O-N 3.15Å; M123-H126 PolarHBondContact O-N 3.17Å; M123-N127 WeakPolarHBondContact O-CB 3.36Å; M123-N127 PolarHBondContact O-N 3.4Å; M123-N127 PolarHBondContact O-ND2 3.42Å; M123-M152 HydrophobicContact CB-CE 4.38Å; M123-M152 HydrophobicContact CE-CE 4.49Å; M123-M152 HydrophobicContact CG-CE 4.08Å
124	S	98.9	Very high	98.9	Very high	7 Å²	7	4.3 Å²	4.3	5%	0.049	2%	0.021	C	C	.	.	H	α-helix	trans	-62.7	-44.1	172.8	171	0	0	0	0	112.4	T120 A121 Y122 H126 N127 M128 N279	T120-S124 PolarHBondContact O-N 3.27Å; A121-S124 WeakPolarHBondContact O-CB 3.48Å; A121-S124 PolarHBondContact O-N 2.9Å; Y122-S124 PolarHBondContact O-N 3.44Å; S124-H126 VanDerWaalsContact C-N 3.34Å; S124-N127 PolarHBondContact O-N 2.98Å; S124-M128 PolarHBondContact O-N 3.23Å; S124-N279 WeakPolarHBondContact OG-CB 3.49Å; S124-N279 PolarHBondContact OG-ND2 3.47Å
125	I	98.9	Very high	98.9	Very high	19 Å²	19	5.8 Å²	5.8	10%	0.097	3%	0.033	C	C	.	.	H	α-helix	trans	-62.9	-43	176.9	-66.7	165.5	0	0	0	110.6	A121 Y122 M128 C129 W238	A121-I125 WeakPolarHBondContact O-CG1 3.44Å; A121-I125 PolarHBondContact O-N 3.09Å; A121-I125 VanDerWaalsContact O-N 3.13Å; Y122-I125 WeakPolarHBondContact O-CB 3.37Å; Y122-I125 PolarHBondContact O-N 3.42Å; I125-M128 WeakPolarHBondContact O-CB 3.28Å; I125-M128 PolarHBondContact O-N 2.94Å; I125-C129 PolarHBondContact O-N 3.4Å; I125-C129 PolarHBondContact O-SG 3.06Å; I125-W238 HydrophobicContact CD1-CH2 4.28Å; I125-W238 HydrophobicContact CD1-CZ3 4.07Å
126	H	98.9	Very high	98.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-58.2	-49.6	175.1	171.2	96.3	0	0	0	111.4	G87 Y122 M123 S124 M128 C129 A130 L149 M152 A156	G87-H126 PolarHBondContact O-CD2 3.35Å; G87-H126 PolarHBondContact O-NE2 2.96Å; Y122-H126 HydrophobicContact CE1-CB 4.39Å; Y122-H126 PolarHBondContact O-N 2.95Å; M123-H126 PolarHBondContact O-N 3.17Å; S124-H126 VanDerWaalsContact C-N 3.34Å; H126-M128 VanDerWaalsContact C-N 3.27Å; H126-M128 PolarHBondContact O-N 3.39Å; H126-C129 WeakPolarHBondContact O-CB 3.11Å; H126-C129 PolarHBondContact O-N 2.87Å; H126-C129 VanDerWaalsContact O-N 3.1Å; H126-A130 PolarHBondContact O-N 2.92Å; H126-L149 PolarHBondContact CE1-O 2.94Å; H126-L149 PolarHBondContact NE2-O 3.1Å; H126-M152 HydrophobicContact CB-CE 4.24Å; H126-M152 VanDerWaalsContact CD2-CE 3.45Å; H126-M152 WeakPolarHBondContact CD2-CE 3.23Å; H126-A156 PolarHBondContact ND1-N 3.47Å
127	N	98.9	Very high	98.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60	-36.9	176.4	-87.7	-98.6	0	0	0	112.1	F86 G87 G88 V89 Y90 F109 M123 S124 A130 W131	F86-N127 PolarHBondContact O-ND2 2.88Å; G87-N127 PolarHBondContact O-ND2 3.32Å; G87-N127 PolarHBondContact O-OD1 3.37Å; G88-N127 WeakPolarHBondContact CA-OD1 3.2Å; V89-N127 PolarHBondContact N-OD1 2.94Å; Y90-N127 HydrophobicContact CE1-CB 3.69Å; Y90-N127 VanDerWaalsContact OH-C 3.3Å; F109-N127 HydrophobicContact CZ-CB 4.32Å; M123-N127 WeakPolarHBondContact O-CB 3.36Å; M123-N127 PolarHBondContact O-N 3.4Å; M123-N127 PolarHBondContact O-ND2 3.42Å; S124-N127 PolarHBondContact O-N 2.98Å; N127-A130 PolarHBondContact O-N 3.05Å; N127-W131 VanDerWaalsContact O-CB 3.28Å; N127-W131 WeakPolarHBondContact O-CB 3.46Å; N127-W131 PolarHBondContact O-N 3.46Å
128	M	98.9	Very high	98.9	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-40.6	175	-177.2	179.1	68.9	0	0	112	Y90 S124 I125 H126 W131 M132 Y158	Y90-M128 VanDerWaalsContact OH-CA 3.24Å; Y90-M128 WeakPolarHBondContact OH-CA 3.38Å; Y90-M128 PolarHBondContact OH-N 3.21Å; Y90-M128 VanDerWaalsContact OH-N 3.08Å; S124-M128 PolarHBondContact O-N 3.23Å; I125-M128 WeakPolarHBondContact O-CB 3.28Å; I125-M128 PolarHBondContact O-N 2.94Å; H126-M128 VanDerWaalsContact C-N 3.27Å; H126-M128 PolarHBondContact O-N 3.39Å; M128-W131 PolarHBondContact O-N 3.4Å; M128-M132 HydrophobicContact CE-CE 4.33Å; M128-M132 HydrophobicContact CG-CE 3.92Å; M128-M132 WeakPolarHBondContact O-CG 3.12Å; M128-M132 PolarHBondContact O-N 3.27Å; M128-M132 HydrophobicContact SD-CE 4.02Å; M128-Y158 HydrophobicContact CE-CD1 3.55Å; M128-Y158 HydrophobicContact CE-CD2 4.28Å; M128-Y158 HydrophobicContact CE-CE1 4.12Å; M128-Y158 HydrophobicContact CE-CG 3.63Å
129	C	98.9	Very high	98.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-48.7	176.4	-63.1	0	0	0	0	111.4	I125 H126 W131 M132 I133 A156 S157 Y158 V202	I125-C129 PolarHBondContact O-N 3.4Å; I125-C129 PolarHBondContact O-SG 3.06Å; H126-C129 WeakPolarHBondContact O-CB 3.11Å; H126-C129 PolarHBondContact O-N 2.87Å; H126-C129 VanDerWaalsContact O-N 3.1Å; C129-W131 VanDerWaalsContact C-N 3.32Å; C129-W131 PolarHBondContact O-N 2.67Å; C129-M132 PolarHBondContact O-N 3.49Å; C129-I133 PolarHBondContact O-N 3.33Å; C129-A156 HydrophobicContact CB-CB 3.58Å; C129-S157 VanDerWaalsContact SG-C 3.52Å; C129-Y158 PolarHBondContact SG-N 3.19Å; C129-V202 HydrophobicContact CB-CG2 3.78Å
130	A	98.9	Very high	98.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-43.7	177.7	0	0	0	0	0	111.3	V91 H126 N127 M132 I133 D134 L149	V91-A130 HydrophobicContact CG2-CB 3.73Å; H126-A130 PolarHBondContact O-N 2.92Å; N127-A130 PolarHBondContact O-N 3.05Å; A130-M132 PolarHBondContact O-N 2.85Å; A130-I133 PolarHBondContact O-N 3.43Å; A130-D134 WeakPolarHBondContact O-CB 3.31Å; A130-D134 PolarHBondContact O-N 2.99Å; A130-L149 HydrophobicContact CB-CB 4.16Å; A130-L149 HydrophobicContact CB-CD1 4.05Å
131	W	98.9	Very high	98.9	Very high	34 Å²	34	23.6 Å²	23.6	13%	0.129	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-37.9	176.5	172.6	83.1	0	0	0	113.8	Y90 N127 M128 C129 I133 D134 S135 F136 K271 G272	Y90-W131 HydrophobicContact CD2-CB 3.78Å; Y90-W131 AromaticContact CD2-CD1 3.41Å; Y90-W131 VanDerWaalsContact CD2-CD1 3.41Å; Y90-W131 AromaticContact CD2-CG 3.65Å; Y90-W131 HydrophobicContact CD2-CG 3.65Å; Y90-W131 HydrophobicContact CE2-CB 3.28Å; Y90-W131 AromaticContact CE2-CD1 3.64Å; Y90-W131 HydrophobicContact CE2-CD2 4.14Å; Y90-W131 AromaticContact CE2-CG 3.35Å; Y90-W131 HydrophobicContact CE2-CG 3.35Å; N127-W131 VanDerWaalsContact O-CB 3.28Å; N127-W131 WeakPolarHBondContact O-CB 3.46Å; N127-W131 PolarHBondContact O-N 3.46Å; M128-W131 PolarHBondContact O-N 3.4Å; C129-W131 VanDerWaalsContact C-N 3.32Å; C129-W131 PolarHBondContact O-N 2.67Å; W131-I133 VanDerWaalsContact C-N 3.27Å; W131-I133 PolarHBondContact O-N 3Å; W131-D134 PolarHBondContact O-N 3.35Å; W131-S135 VanDerWaalsContact CD1-OG 3.32Å; W131-S135 VanDerWaalsContact CE2-OG 3.22Å; W131-S135 PolarHBondContact NE1-OG 2.86Å; W131-S135 WeakPolarHBondContact O-CB 3.35Å; W131-S135 PolarHBondContact O-N 3.42Å; W131-S135 PolarHBondContact O-OG 3.32Å; W131-F136 AromaticContact CH2-CE2 3.65Å; W131-F136 HydrophobicContact CH2-CE2 3.65Å; W131-F136 HydrophobicContact CH2-CZ 4.13Å; W131-F136 HydrophobicContact CZ2-CE2 4.29Å; W131-F136 AromaticContact CZ3-CE2 3.9Å; W131-F136 HydrophobicContact CZ3-CE2 3.9Å; W131-K271 HydrophobicContact CH2-CB 3.89Å; W131-G272 VanDerWaalsContact CZ3-CA 3.5Å
132	M	98.9	Very high	98.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-39.1	175.6	-76.7	-178.8	-178.5	0	0	111.1	M128 C129 A130 F136 Y158 V202 M204 I268	M128-M132 HydrophobicContact CE-CE 4.33Å; M128-M132 HydrophobicContact CG-CE 3.92Å; M128-M132 WeakPolarHBondContact O-CG 3.12Å; M128-M132 PolarHBondContact O-N 3.27Å; M128-M132 HydrophobicContact SD-CE 4.02Å; C129-M132 PolarHBondContact O-N 3.49Å; A130-M132 PolarHBondContact O-N 2.85Å; M132-F136 WeakPolarHBondContact O-CD2 3.22Å; M132-F136 PolarHBondContact O-N 3.5Å; M132-Y158 HydrophobicContact CE-CD2 4.17Å; M132-Y158 HydrophobicContact CE-CE2 3.68Å; M132-Y158 HydrophobicContact SD-CD2 4.06Å; M132-Y158 HydrophobicContact SD-CE2 3.8Å; M132-V202 HydrophobicContact SD-CG1 3.93Å; M132-M204 HydrophobicContact SD-CE 4.24Å; M132-I268 HydrophobicContact CB-CG2 4.14Å; M132-I268 HydrophobicContact CG-CG2 3.87Å; M132-I268 HydrophobicContact SD-CG2 4.02Å
133	I	98.9	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72.3	-46	177.2	-59.8	168.2	0	0	0	110.3	C129 A130 W131 S135 G137 Q141 F145 L149 I200 V202 V219 I259	C129-I133 PolarHBondContact O-N 3.33Å; A130-I133 PolarHBondContact O-N 3.43Å; W131-I133 VanDerWaalsContact C-N 3.27Å; W131-I133 PolarHBondContact O-N 3Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 2.94Å; I133-G137 VanDerWaalsContact O-CA 3.23Å; I133-G137 WeakPolarHBondContact O-CA 3.33Å; I133-G137 PolarHBondContact O-N 3.22Å; I133-Q141 HydrophobicContact CG2-CB 4.46Å; I133-F145 HydrophobicContact CD1-CB 3.92Å; I133-F145 HydrophobicContact CD1-CG 4.41Å; I133-F145 HydrophobicContact CG2-CB 4.07Å; I133-F145 HydrophobicContact CG2-CD2 4.15Å; I133-L149 HydrophobicContact CD1-CD1 4.22Å; I133-I200 HydrophobicContact CD1-CG2 4.21Å; I133-V202 HydrophobicContact CD1-CG2 4.2Å; I133-V202 HydrophobicContact CG1-CG2 4.39Å; I133-V219 HydrophobicContact CD1-CG2 3.89Å; I133-V219 HydrophobicContact CG1-CG2 4.05Å; I133-I259 HydrophobicContact CG1-CD1 4.35Å; I133-I259 HydrophobicContact CG1-CG1 4.48Å; I133-I259 HydrophobicContact CG2-CD1 4.19Å
134	D	98.9	Very high	98.8	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-40.8	179.7	-177.6	36.4	0	0	0	112.9	V91 Q92 A130 W131 R142	V91-D134 HydrophobicContact CG1-CB 4.02Å; Q92-D134 WeakPolarHBondContact CG-OD2 3.44Å; Q92-D134 PolarHBondContact N-OD2 2.86Å; A130-D134 WeakPolarHBondContact O-CB 3.31Å; A130-D134 PolarHBondContact O-N 2.99Å; W131-D134 PolarHBondContact O-N 3.35Å; D134-R142 WeakPolarHBondContact O-CD 3.15Å; D134-R142 PolarHBondContact O-NE 3.11Å; D134-R142 IonicContact OD1-CZ 2.96Å; D134-R142 IonicContact OD1-NE 2.77Å; D134-R142 PolarHBondContact OD1-NE 3.1Å; D134-R142 IonicContact OD1-NH2 3.95Å; D134-R142 PolarHBondContact OD1-NH2 3.06Å
135	S	98.8	Very high	98.8	Very high	49 Å²	49	33 Å²	33	34%	0.343	16%	0.163	S	C	.	.	H	α-helix	trans	-84.4	-23.7	-172.8	-57.8	0	0	0	0	114.5	W131 I133	W131-S135 VanDerWaalsContact CD1-OG 3.32Å; W131-S135 VanDerWaalsContact CE2-OG 3.22Å; W131-S135 PolarHBondContact NE1-OG 2.86Å; W131-S135 WeakPolarHBondContact O-CB 3.35Å; W131-S135 PolarHBondContact O-N 3.42Å; W131-S135 PolarHBondContact O-OG 3.32Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 2.94Å
136	F	98.8	Very high	98.8	Very high	35 Å²	35	32.1 Å²	32.1	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-129.2	-8.4	-172.1	-58.3	-77.4	0	0	0	113.8	W131 M132 I259 G260 L267 I268 K271	W131-F136 AromaticContact CH2-CE2 3.65Å; W131-F136 HydrophobicContact CH2-CE2 3.65Å; W131-F136 HydrophobicContact CH2-CZ 4.13Å; W131-F136 HydrophobicContact CZ2-CE2 4.29Å; W131-F136 AromaticContact CZ3-CE2 3.9Å; W131-F136 HydrophobicContact CZ3-CE2 3.9Å; M132-F136 WeakPolarHBondContact O-CD2 3.22Å; M132-F136 PolarHBondContact O-N 3.5Å; F136-I259 HydrophobicContact CB-CG2 3.61Å; F136-G260 PolarHBondContact O-N 3.32Å; F136-L267 HydrophobicContact CE1-CD2 4.47Å; F136-I268 HydrophobicContact CB-CD1 4.03Å; F136-I268 HydrophobicContact CB-CG1 4.27Å; F136-I268 HydrophobicContact CD1-CG1 4.02Å; F136-I268 HydrophobicContact CD2-CB 4.4Å; F136-I268 HydrophobicContact CD2-CG1 3.96Å; F136-I268 HydrophobicContact CD2-CG2 3.85Å; F136-I268 HydrophobicContact CE1-CG1 4.37Å; F136-I268 HydrophobicContact CE2-CG1 4.32Å; F136-I268 HydrophobicContact CE2-CG2 4.13Å; F136-I268 HydrophobicContact CG-CD1 4.13Å; F136-I268 HydrophobicContact CG-CG1 3.81Å; F136-I268 HydrophobicContact CG-CG2 4.49Å; F136-K271 HydrophobicContact CE1-CD 4.1Å; F136-K271 HydrophobicContact CZ-CB 4.28Å; F136-K271 HydrophobicContact CZ-CD 3.58Å
137	G	98.6	Very high	98.8	Very high	15 Å²	15	34.1 Å²	34.1	16%	0.155	17%	0.171	C	C	.	.	S	Bend	trans	-80.1	158.1	174.8	0	0	0	0	0	111.9	I133	I133-G137 VanDerWaalsContact O-CA 3.23Å; I133-G137 WeakPolarHBondContact O-CA 3.33Å; I133-G137 PolarHBondContact O-N 3.22Å
138	N	98.8	Very high	98.8	Very high	74 Å²	74	35.1 Å²	35.1	40%	0.396	18%	0.177	S	C	.	.			trans	-75.5	170.2	167.2	62.3	29.8	0	0	0	111.4	E140 Q141 R142	N138-E140 VanDerWaalsContact C-N 3.26Å; N138-E140 PolarHBondContact O-N 3Å; N138-E140 PolarHBondContact OD1-N 2.97Å; N138-E140 PolarHBondContact OD1-OE2 2.98Å; N138-Q141 PolarHBondContact O-N 3.42Å; N138-Q141 WeakPolarHBondContact OD1-CB 3.46Å; N138-Q141 WeakPolarHBondContact OD1-CG 3.41Å; N138-Q141 PolarHBondContact OD1-N 3Å; N138-Q141 PolarHBondContact OD1-OE1 3.32Å; N138-R142 VanDerWaalsContact O-CG 3.25Å; N138-R142 WeakPolarHBondContact O-CG 3.36Å; N138-R142 PolarHBondContact O-N 3.42Å
139	E	98.7	Very high	98.8	Very high	102 Å²	102	35 Å²	35	48%	0.477	18%	0.177	S	C	.	.	H	α-helix	trans	-54.3	-41.2	-177	-71.1	-58.9	109.5	0	0	113	R142 H143	E139-R142 PolarHBondContact O-N 3.17Å; E139-R142 IonicContact OE1-CZ 2.79Å; E139-R142 IonicContact OE1-NH1 2.67Å; E139-R142 PolarHBondContact OE1-NH1 3.43Å; E139-R142 IonicContact OE2-NH1 3.03Å; E139-R142 PolarHBondContact OE2-NH1 3.4Å; E139-H143 WeakPolarHBondContact O-CB 3.32Å; E139-H143 PolarHBondContact O-N 3.3Å; E139-H143 PolarHBondContact O-ND1 3.19Å; E139-H143 IonicContact OE2-CE1 2.96Å; E139-H143 PolarHBondContact OE2-CE1 3.28Å; E139-H143 IonicContact OE2-ND1 3.35Å
140	E	98.7	Very high	98.8	Very high	140 Å²	140	35.3 Å²	35.3	65%	0.654	18%	0.179	S	C	*	.	H	α-helix	trans	-64.1	-43.3	178.1	-63.8	81.3	-179.3	0	0	111.9	N138 K144	N138-E140 VanDerWaalsContact C-N 3.26Å; N138-E140 PolarHBondContact O-N 3Å; N138-E140 PolarHBondContact OD1-N 2.97Å; N138-E140 PolarHBondContact OD1-OE2 2.98Å; E140-K144 WeakPolarHBondContact O-CB 3.48Å; E140-K144 PolarHBondContact O-N 3.4Å
141	Q	98.9	Very high	98.8	Very high	10 Å²	10	39 Å²	39	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-45.2	177.2	-72.1	165	-16.1	0	0	111.4	I133 N138 K144 F145 A256 R258 I259	I133-Q141 HydrophobicContact CG2-CB 4.46Å; N138-Q141 PolarHBondContact O-N 3.42Å; N138-Q141 WeakPolarHBondContact OD1-CB 3.46Å; N138-Q141 WeakPolarHBondContact OD1-CG 3.41Å; N138-Q141 PolarHBondContact OD1-N 3Å; N138-Q141 PolarHBondContact OD1-OE1 3.32Å; Q141-K144 PolarHBondContact O-N 3.19Å; Q141-F145 HydrophobicContact CB-CD2 4.19Å; Q141-F145 HydrophobicContact CB-CE2 4.37Å; Q141-F145 HydrophobicContact CG-CE2 4.31Å; Q141-F145 WeakPolarHBondContact O-CB 3.43Å; Q141-F145 VanDerWaalsContact O-CD2 3.22Å; Q141-F145 WeakPolarHBondContact O-CD2 3.35Å; Q141-F145 PolarHBondContact O-N 3.26Å; Q141-A256 PolarHBondContact NE2-O 3.5Å; Q141-R258 PolarHBondContact NE2-O 3.33Å; Q141-I259 HydrophobicContact CB-CD1 4.28Å; Q141-I259 HydrophobicContact CG-CD1 4.23Å
142	R	98.9	Very high	98.8	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.045	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-53.7	178.6	-65.8	176.5	65.5	-117.6	-9.1	110.1	D94 V95 D134 N138 E139 K144 C146 P147	D94-R142 VanDerWaalsContact CG-NH2 3.26Å; D94-R142 IonicContact OD1-NH2 3.14Å; D94-R142 PolarHBondContact OD1-NH2 2.66Å; D94-R142 IonicContact OD2-CZ 3.43Å; D94-R142 IonicContact OD2-NH1 3.4Å; D94-R142 PolarHBondContact OD2-NH1 2.9Å; D94-R142 IonicContact OD2-NH2 2.79Å; D94-R142 PolarHBondContact OD2-NH2 2.85Å; V95-R142 HydrophobicContact CG1-CB 4.1Å; D134-R142 WeakPolarHBondContact O-CD 3.15Å; D134-R142 PolarHBondContact O-NE 3.11Å; D134-R142 IonicContact OD1-CZ 2.96Å; D134-R142 IonicContact OD1-NE 2.77Å; D134-R142 PolarHBondContact OD1-NE 3.1Å; D134-R142 IonicContact OD1-NH2 3.95Å; D134-R142 PolarHBondContact OD1-NH2 3.06Å; N138-R142 VanDerWaalsContact O-CG 3.25Å; N138-R142 WeakPolarHBondContact O-CG 3.36Å; N138-R142 PolarHBondContact O-N 3.42Å; E139-R142 PolarHBondContact O-N 3.17Å; E139-R142 IonicContact OE1-CZ 2.79Å; E139-R142 IonicContact OE1-NH1 2.67Å; E139-R142 PolarHBondContact OE1-NH1 3.43Å; E139-R142 IonicContact OE2-NH1 3.03Å; E139-R142 PolarHBondContact OE2-NH1 3.4Å; R142-K144 VanDerWaalsContact C-N 3.34Å; R142-K144 PolarHBondContact O-N 2.99Å; R142-C146 WeakPolarHBondContact O-CB 3.42Å; R142-C146 PolarHBondContact O-N 3.43Å; R142-C146 PolarHBondContact O-SG 3.01Å; R142-P147 WeakPolarHBondContact O-CD 3.22Å
143	H	98.8	Very high	98.8	Very high	91 Å²	91	43.2 Å²	43.2	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-72.3	-24	-178.5	-70.9	81.9	0	0	0	113.7	E139 P147	E139-H143 WeakPolarHBondContact O-CB 3.32Å; E139-H143 PolarHBondContact O-N 3.3Å; E139-H143 PolarHBondContact O-ND1 3.19Å; E139-H143 IonicContact OE2-CE1 2.96Å; E139-H143 PolarHBondContact OE2-CE1 3.28Å; E139-H143 IonicContact OE2-ND1 3.35Å; H143-P147 WeakPolarHBondContact O-CD 3.48Å; H143-P147 WeakPolarHBondContact O-CG 3.17Å
144	K	98.7	Very high	98.8	Very high	101 Å²	101	46 Å²	46	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-74.9	-47.9	173.9	179.1	-177.9	172.6	-169.5	0	112.2	E140 Q141 R142 E221	E140-K144 WeakPolarHBondContact O-CB 3.48Å; E140-K144 PolarHBondContact O-N 3.4Å; Q141-K144 PolarHBondContact O-N 3.19Å; R142-K144 VanDerWaalsContact C-N 3.34Å; R142-K144 PolarHBondContact O-N 2.99Å; K144-E221 IonicContact NZ-OE2 3.06Å; K144-E221 PolarHBondContact NZ-OE2 3.07Å
145	F	98.9	Very high	98.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-101.3	-36.3	-166	-62.1	-59.6	0	0	0	113.7	I133 Q141 P148 L149 I200 V219 E221	I133-F145 HydrophobicContact CD1-CB 3.92Å; I133-F145 HydrophobicContact CD1-CG 4.41Å; I133-F145 HydrophobicContact CG2-CB 4.07Å; I133-F145 HydrophobicContact CG2-CD2 4.15Å; Q141-F145 HydrophobicContact CB-CD2 4.19Å; Q141-F145 HydrophobicContact CB-CE2 4.37Å; Q141-F145 HydrophobicContact CG-CE2 4.31Å; Q141-F145 WeakPolarHBondContact O-CB 3.43Å; Q141-F145 VanDerWaalsContact O-CD2 3.22Å; Q141-F145 WeakPolarHBondContact O-CD2 3.35Å; Q141-F145 PolarHBondContact O-N 3.26Å; F145-P148 WeakPolarHBondContact O-CD 3.44Å; F145-P148 WeakPolarHBondContact O-CG 3.3Å; F145-L149 WeakPolarHBondContact O-CD1 3.35Å; F145-L149 WeakPolarHBondContact O-CG 3.42Å; F145-I200 HydrophobicContact CD1-CD1 3.92Å; F145-I200 HydrophobicContact CE1-CD1 4.25Å; F145-V219 HydrophobicContact CD1-CG1 4.2Å; F145-V219 HydrophobicContact CD2-CG1 4.45Å; F145-V219 HydrophobicContact CE1-CG1 3.76Å; F145-V219 HydrophobicContact CE2-CB 4.22Å; F145-V219 HydrophobicContact CE2-CG1 4.04Å; F145-V219 HydrophobicContact CE2-CG2 4.4Å; F145-V219 HydrophobicContact CZ-CB 4.19Å; F145-V219 HydrophobicContact CZ-CG1 3.66Å; F145-E221 HydrophobicContact CE1-CG 4.15Å
146	C	98.9	Very high	98.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-43.1	-173.3	-61.9	0	0	0	0	113.8	V91 V95 R142 L149 C150	V91-C146 HydrophobicContact CG1-CB 4.44Å; V95-C146 HydrophobicContact CB-CB 3.82Å; V95-C146 HydrophobicContact CG2-CB 3.64Å; R142-C146 WeakPolarHBondContact O-CB 3.42Å; R142-C146 PolarHBondContact O-N 3.43Å; R142-C146 PolarHBondContact O-SG 3.01Å; C146-L149 WeakPolarHBondContact O-CB 3.31Å; C146-L149 PolarHBondContact O-N 3.25Å; C146-L149 VanDerWaalsContact O-N 3.09Å; C146-C150 PolarHBondContact O-N 2.89Å; C146-C150 PolarHBondContact O-SG 3.36Å
147	P	98.9	Very high	98.8	Very high	42 Å²	42	42.1 Å²	42.1	27%	0.273	21%	0.211	S	C	.	.	H	α-helix	trans	-56.3	-50	-178.1	-26.3	34.8	0	0	0	115	V95 R142 H143 L149 C150 T151	V95-P147 HydrophobicContact CB-CG 4.48Å; V95-P147 WeakPolarHBondContact O-CA 3.39Å; R142-P147 WeakPolarHBondContact O-CD 3.22Å; H143-P147 WeakPolarHBondContact O-CD 3.48Å; H143-P147 WeakPolarHBondContact O-CG 3.17Å; P147-L149 PolarHBondContact O-N 3.5Å; P147-C150 PolarHBondContact O-N 2.85Å; P147-T151 PolarHBondContact O-N 3.18Å; P147-T151 PolarHBondContact O-OG1 2.95Å
148	P	98.9	Very high	98.8	Very high	20 Å²	20	42.6 Å²	42.6	13%	0.13	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-18.7	179	29.6	-37	0	0	0	113.2	F145 T151 M152 E153 K154	F145-P148 WeakPolarHBondContact O-CD 3.44Å; F145-P148 WeakPolarHBondContact O-CG 3.3Å; P148-T151 PolarHBondContact O-OG1 3.26Å; P148-M152 PolarHBondContact O-N 3.15Å; P148-E153 HydrophobicContact CB-CB 4.22Å; P148-E153 PolarHBondContact O-N 3.42Å; P148-K154 HydrophobicContact CB-CB 4.18Å; P148-K154 HydrophobicContact CB-CD 4.26Å; P148-K154 HydrophobicContact CB-CG 4.17Å; P148-K154 HydrophobicContact CG-CD 4.37Å; P148-K154 PolarHBondContact O-N 2.97Å
149	L	98.9	Very high	98.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-77	-45.3	171.8	-65.2	177.6	0	0	0	110.8	H126 A130 I133 F145 C146 P147 T151 M152 K154 A156 I200	H126-L149 PolarHBondContact CE1-O 2.94Å; H126-L149 PolarHBondContact NE2-O 3.1Å; A130-L149 HydrophobicContact CB-CB 4.16Å; A130-L149 HydrophobicContact CB-CD1 4.05Å; I133-L149 HydrophobicContact CD1-CD1 4.22Å; F145-L149 WeakPolarHBondContact O-CD1 3.35Å; F145-L149 WeakPolarHBondContact O-CG 3.42Å; C146-L149 WeakPolarHBondContact O-CB 3.31Å; C146-L149 PolarHBondContact O-N 3.25Å; C146-L149 VanDerWaalsContact O-N 3.09Å; P147-L149 PolarHBondContact O-N 3.5Å; L149-T151 PolarHBondContact O-N 3.09Å; L149-M152 WeakPolarHBondContact O-CA 3.25Å; L149-M152 PolarHBondContact O-N 2.93Å; L149-K154 HydrophobicContact CD2-CB 4.25Å; L149-K154 WeakPolarHBondContact CD2-O 3.4Å; L149-A156 HydrophobicContact CD1-CB 4.3Å; L149-A156 HydrophobicContact CD2-CB 3.72Å; L149-I200 HydrophobicContact CD2-CB 4.26Å; L149-I200 HydrophobicContact CD2-CG1 4.01Å
150	C	98.9	Very high	98.8	Very high	6 Å²	6	35 Å²	35	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-32.2	-179.3	-64	0	0	0	0	112.9	G87 G96 C146 P147	G87-C150 WeakPolarHBondContact CA-O 3.48Å; G96-C150 VanDerWaalsContact O-CB 3.25Å; G96-C150 WeakPolarHBondContact O-CB 3.32Å; C146-C150 PolarHBondContact O-N 2.89Å; C146-C150 PolarHBondContact O-SG 3.36Å; P147-C150 PolarHBondContact O-N 2.85Å
151	T	98.8	Very high	98.8	Very high	79 Å²	79	30.4 Å²	30.4	49%	0.485	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.7	174.2	61.1	0	0	0	0	113.7	A82 P147 P148 L149 E153	A82-T151 WeakPolarHBondContact CB-O 3.34Å; P147-T151 PolarHBondContact O-N 3.18Å; P147-T151 PolarHBondContact O-OG1 2.95Å; P148-T151 PolarHBondContact O-OG1 3.26Å; L149-T151 PolarHBondContact O-N 3.09Å; T151-E153 PolarHBondContact O-N 2.92Å; T151-E153 WeakPolarHBondContact OG1-CB 3.25Å; T151-E153 PolarHBondContact OG1-N 3.36Å
152	M	98.8	Very high	98.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	31.8	-167.6	-68.3	-179.1	160.6	0	0	113	M78 R79 A82 M123 H126 P148 L149 F155	M78-M152 HydrophobicContact CB-SD 3.72Å; R79-M152 HydrophobicContact CG-CB 4.1Å; R79-M152 VanDerWaalsContact CG-O 3.29Å; R79-M152 WeakPolarHBondContact CG-O 3.25Å; R79-M152 PolarHBondContact NE-O 3.16Å; A82-M152 HydrophobicContact CB-CB 3.88Å; A82-M152 HydrophobicContact CB-CG 3.84Å; A82-M152 HydrophobicContact CB-SD 4.06Å; M123-M152 HydrophobicContact CB-CE 4.38Å; M123-M152 HydrophobicContact CE-CE 4.49Å; M123-M152 HydrophobicContact CG-CE 4.08Å; H126-M152 HydrophobicContact CB-CE 4.24Å; H126-M152 VanDerWaalsContact CD2-CE 3.45Å; H126-M152 WeakPolarHBondContact CD2-CE 3.23Å; P148-M152 PolarHBondContact O-N 3.15Å; L149-M152 WeakPolarHBondContact O-CA 3.25Å; L149-M152 PolarHBondContact O-N 2.93Å; M152-F155 HydrophobicContact CB-CE1 3.91Å; M152-F155 HydrophobicContact CB-CZ 4Å; M152-F155 HydrophobicContact CG-CE1 4.06Å; M152-F155 HydrophobicContact SD-CE1 3.96Å
153	E	98.8	Very high	98.8	Very high	122 Å²	122	34.9 Å²	34.9	57%	0.57	18%	0.183	S	C	*	.	S	Bend	trans	-58.5	-48.3	161.8	-177.8	-167.9	142.1	0	0	108.6	R79 P148 T151	R79-E153 PolarHBondContact NH2-O 3.4Å; P148-E153 HydrophobicContact CB-CB 4.22Å; P148-E153 PolarHBondContact O-N 3.42Å; T151-E153 PolarHBondContact O-N 2.92Å; T151-E153 WeakPolarHBondContact OG1-CB 3.25Å; T151-E153 PolarHBondContact OG1-N 3.36Å
154	K	98.9	Very high	98.6	Very high	60 Å²	60	34.1 Å²	34.1	26%	0.261	20%	0.2	S	C	.	.	S	Bend	trans	-108.8	150.1	172.1	-73.2	-173.1	176.2	-177.5	0	111.2	P148 L149 D199 I200 E221	P148-K154 HydrophobicContact CB-CB 4.18Å; P148-K154 HydrophobicContact CB-CD 4.26Å; P148-K154 HydrophobicContact CB-CG 4.17Å; P148-K154 HydrophobicContact CG-CD 4.37Å; P148-K154 PolarHBondContact O-N 2.97Å; L149-K154 HydrophobicContact CD2-CB 4.25Å; L149-K154 WeakPolarHBondContact CD2-O 3.4Å; K154-D199 VanDerWaalsContact CA-OD2 3.28Å; K154-D199 WeakPolarHBondContact CA-OD2 3.44Å; K154-D199 HydrophobicContact CB-CB 3.92Å; K154-D199 HydrophobicContact CD-CB 3.87Å; K154-D199 HydrophobicContact CG-CB 3.83Å; K154-I200 HydrophobicContact CD-CD1 4.33Å; K154-I200 HydrophobicContact CD-CG1 4.42Å; K154-E221 IonicContact NZ-OE1 3.61Å
155	F	98.9	Very high	98.4	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.026	18%	0.18	C	C	.	.			trans	-108.1	156.1	177	-73.7	-78.6	0	0	0	111.7	F73 V75 M78 Y122 M152 S198 D199 I200	F73-F155 HydrophobicContact CE1-CD1 4.11Å; F73-F155 HydrophobicContact CE1-CD2 4.11Å; F73-F155 HydrophobicContact CE1-CE1 4.34Å; F73-F155 HydrophobicContact CE1-CE2 4.34Å; F73-F155 AromaticContact CE1-CG 3.98Å; F73-F155 HydrophobicContact CE1-CG 3.98Å; F73-F155 HydrophobicContact CE1-CZ 4.45Å; F73-F155 AromaticContact CZ-CD1 3.87Å; F73-F155 HydrophobicContact CZ-CD1 3.87Å; F73-F155 HydrophobicContact CZ-CE1 4.23Å; F73-F155 HydrophobicContact CZ-CG 4.09Å; V75-F155 HydrophobicContact CB-CE2 4.37Å; V75-F155 HydrophobicContact CB-CZ 4.43Å; V75-F155 HydrophobicContact CG1-CE2 3.83Å; V75-F155 HydrophobicContact CG1-CZ 4.1Å; V75-F155 HydrophobicContact CG2-CE2 4.06Å; V75-F155 HydrophobicContact CG2-CZ 4.35Å; M78-F155 HydrophobicContact CB-CE1 4.05Å; M78-F155 HydrophobicContact CB-CZ 4.28Å; M78-F155 HydrophobicContact CE-CD1 4.4Å; M78-F155 HydrophobicContact CE-CE1 3.66Å; M78-F155 HydrophobicContact CE-CZ 4Å; M78-F155 HydrophobicContact SD-CE1 4.21Å; Y122-F155 AromaticContact CE1-CD1 3.84Å; Y122-F155 HydrophobicContact CE1-CD1 3.84Å; Y122-F155 HydrophobicContact CE1-CE1 4.35Å; Y122-F155 WeakPolarHBondContact OH-CB 3.25Å; M152-F155 HydrophobicContact CB-CE1 3.91Å; M152-F155 HydrophobicContact CB-CZ 4Å; M152-F155 HydrophobicContact CG-CE1 4.06Å; M152-F155 HydrophobicContact SD-CE1 3.96Å; F155-S198 WeakPolarHBondContact O-CB 3.46Å; F155-D199 PolarHBondContact N-OD2 2.77Å; F155-D199 VanDerWaalsContact N-OD2 3.08Å; F155-D199 PolarHBondContact O-N 2.67Å; F155-I200 PolarHBondContact O-N 2.86Å
156	A	98.9	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.7	-175.9	0	0	0	0	0	112.9	Y122 H126 C129 L149 S198 I200	Y122-A156 PolarHBondContact OH-O 2.98Å; H126-A156 PolarHBondContact ND1-N 3.47Å; C129-A156 HydrophobicContact CB-CB 3.58Å; L149-A156 HydrophobicContact CD1-CB 4.3Å; L149-A156 HydrophobicContact CD2-CB 3.72Å; A156-S198 PolarHBondContact O-OG 2.98Å; A156-I200 CarbonylContact C-O 3.57Å; A156-I200 WeakPolarHBondContact CA-O 3.49Å; A156-I200 HydrophobicContact CB-CB 4.24Å
157	S	98.9	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.4	176.9	-78.1	0	0	0	0	111.2	C129 S193 G194 S198 I200 Y201 V202	C129-S157 VanDerWaalsContact SG-C 3.52Å; S157-S193 WeakPolarHBondContact CB-O 3.34Å; S157-S193 PolarHBondContact OG-O 2.79Å; S157-G194 VanDerWaalsContact OG-C 3.26Å; S157-G194 PolarHBondContact OG-O 3.33Å; S157-S198 WeakPolarHBondContact OG-CB 3.49Å; S157-S198 PolarHBondContact OG-OG 3.41Å; S157-I200 PolarHBondContact N-O 3.46Å; S157-Y201 WeakPolarHBondContact O-CA 3.42Å; S157-V202 PolarHBondContact O-N 3.3Å
158	Y	98.9	Very high	97.8	Very high	26 Å²	26	38.1 Å²	38.1	10%	0.102	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.6	174.3	-178.9	-122.6	0	0	0	111.3	M128 C129 M132 L160 I192 V202 M204 A269	M128-Y158 HydrophobicContact CE-CD1 3.55Å; M128-Y158 HydrophobicContact CE-CD2 4.28Å; M128-Y158 HydrophobicContact CE-CE1 4.12Å; M128-Y158 HydrophobicContact CE-CG 3.63Å; C129-Y158 PolarHBondContact SG-N 3.19Å; M132-Y158 HydrophobicContact CE-CD2 4.17Å; M132-Y158 HydrophobicContact CE-CE2 3.68Å; M132-Y158 HydrophobicContact SD-CD2 4.06Å; M132-Y158 HydrophobicContact SD-CE2 3.8Å; Y158-L160 HydrophobicContact CD1-CB 4.27Å; Y158-L160 HydrophobicContact CE1-CB 3.51Å; Y158-L160 HydrophobicContact CE1-CD2 3.93Å; Y158-L160 HydrophobicContact CE1-CG 4.36Å; Y158-L160 WeakPolarHBondContact OH-CD2 3.48Å; Y158-I192 WeakPolarHBondContact O-CD1 3.48Å; Y158-V202 HydrophobicContact CD2-CB 4.37Å; Y158-V202 HydrophobicContact CD2-CG1 4.31Å; Y158-M204 HydrophobicContact CE2-CE 3.92Å; Y158-M204 HydrophobicContact CE2-CG 4.15Å; Y158-A269 WeakPolarHBondContact OH-CB 3.48Å
159	C	98.9	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	82.4	-170.3	-72.8	0	0	0	0	112.2	K189 I192 V202 V203 M204	C159-K189 HydrophobicContact CB-CG 4.09Å; C159-K189 WeakPolarHBondContact O-CE 3.28Å; C159-I192 HydrophobicContact CB-CD1 4.38Å; C159-V202 WeakPolarHBondContact CB-O 3.49Å; C159-V202 PolarHBondContact N-O 3.35Å; C159-V203 HydrophobicContact CB-CB 4.18Å; C159-V203 HydrophobicContact CB-CG1 4.24Å; C159-V203 HydrophobicContact CB-CG2 3.85Å; C159-M204 PolarHBondContact O-N 3.09Å
160	L	98.6	Very high	97.5	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.079	25%	0.246	C	C	.	.			trans	-110.1	-59.2	177.2	176.7	63.1	0	0	0	112.4	Y158 A169 L172 K189 M204	Y158-L160 HydrophobicContact CD1-CB 4.27Å; Y158-L160 HydrophobicContact CE1-CB 3.51Å; Y158-L160 HydrophobicContact CE1-CD2 3.93Å; Y158-L160 HydrophobicContact CE1-CG 4.36Å; Y158-L160 WeakPolarHBondContact OH-CD2 3.48Å; L160-A169 HydrophobicContact CD1-CB 4.19Å; L160-A169 HydrophobicContact CD2-CB 3.87Å; L160-A169 HydrophobicContact CG-CB 4.16Å; L160-L172 HydrophobicContact CD1-CD2 3.96Å; L160-K189 PolarHBondContact O-NZ 3.41Å; L160-M204 HydrophobicContact CD1-CB 3.74Å; L160-M204 HydrophobicContact CD1-CG 3.92Å
161	T	98.6	Very high	97.4	Very high	45 Å²	45	40.3 Å²	40.3	28%	0.276	26%	0.258	S	S	.	.			trans	-62	142.5	-172.3	-57.3	0	0	0	0	112.6	S165 K189 A190 F191	T161-S165 WeakPolarHBondContact CA-O 3.5Å; T161-K189 CarbonylContact O-C 3.55Å; T161-K189 VanDerWaalsContact O-CA 3.25Å; T161-K189 WeakPolarHBondContact O-CA 3.35Å; T161-K189 WeakPolarHBondContact O-CD 3.43Å; T161-A190 PolarHBondContact O-N 3.35Å; T161-F191 HydrophobicContact CG2-CD2 4.03Å
162	E	98.8	Very high	97.4	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.065	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-126	163.8	174.9	-58	-173.6	-177.8	0	0	109.7	G164 S165 L172 L173 T174 S188 K189	E162-G164 PolarHBondContact O-N 3.32Å; E162-G164 VanDerWaalsContact O-N 3.12Å; E162-S165 WeakPolarHBondContact CB-OG 3.15Å; E162-S165 PolarHBondContact N-O 3.05Å; E162-S165 CarbonylContact O-C 3.59Å; E162-S165 PolarHBondContact O-N 3.04Å; E162-S165 VanDerWaalsContact O-N 3.11Å; E162-L172 HydrophobicContact CG-CB 4.42Å; E162-L172 WeakPolarHBondContact OE1-CB 3.37Å; E162-L173 VanDerWaalsContact CD-N 3.26Å; E162-L173 PolarHBondContact OE1-N 2.85Å; E162-L173 VanDerWaalsContact OE1-N 3.14Å; E162-L173 WeakPolarHBondContact OE2-CA 3.38Å; E162-L173 PolarHBondContact OE2-N 2.93Å; E162-T174 VanDerWaalsContact OE1-CB 3.24Å; E162-T174 WeakPolarHBondContact OE1-CB 3.34Å; E162-T174 PolarHBondContact OE1-N 3.29Å; E162-T174 PolarHBondContact OE1-OG1 3.1Å; E162-T174 PolarHBondContact OE2-N 3.12Å; E162-S188 WeakPolarHBondContact CG-O 3.17Å; E162-K189 HydrophobicContact CG-CD 3.82Å; E162-K189 IonicContact OE1-NZ 2.73Å; E162-K189 PolarHBondContact OE1-NZ 3.3Å
163	P	97.6	Very high	97.4	Very high	101 Å²	101	43 Å²	43	66%	0.656	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-34	175.2	-27.2	35.7	0	0	0	113.7	A190	P163-A190 HydrophobicContact CG-CB 4.17Å
164	G	96.1	Very high	97.4	Very high	75 Å²	75	37.2 Å²	37.2	77%	0.773	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-8.4	179.2	0	0	0	0	0	115.7	E162	E162-G164 PolarHBondContact O-N 3.32Å; E162-G164 VanDerWaalsContact O-N 3.12Å
165	S	92.7	Very high	97.4	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.028	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-142	100.2	-173.9	68.4	0	0	0	0	112.1	T161 E162 D168 L172	T161-S165 WeakPolarHBondContact CA-O 3.5Å; E162-S165 WeakPolarHBondContact CB-OG 3.15Å; E162-S165 PolarHBondContact N-O 3.05Å; E162-S165 CarbonylContact O-C 3.59Å; E162-S165 PolarHBondContact O-N 3.04Å; E162-S165 VanDerWaalsContact O-N 3.11Å; S165-D168 WeakPolarHBondContact CB-O 3.47Å; S165-L172 WeakPolarHBondContact OG-CA 3.22Å
166	G	95.4	Very high	97.4	Very high	41 Å²	41	36.5 Å²	36.5	42%	0.423	25%	0.245	S	C	.	.	S	Bend	trans	-108.8	-89.2	173.7	0	0	0	0	0	111.7	D168 A169	G166-D168 VanDerWaalsContact C-N 3.26Å; G166-D168 PolarHBondContact O-N 3.13Å; G166-A169 PolarHBondContact O-N 3.28Å
167	S	94	Very high	97.4	Very high	87 Å²	87	43.1 Å²	43.1	61%	0.608	27%	0.274	S	S	*	.	S	Bend	trans	-59.4	-36.4	176.5	-61.6	0	0	0	0	112.9	A169	S167-A169 PolarHBondContact O-N 3.22Å; S167-A169 VanDerWaalsContact O-N 3.15Å
168	D	94.8	Very high	97.4	Very high	100 Å²	100	49 Å²	49	54%	0.535	30%	0.3	S	S	.	.	S	Bend	trans	-85.5	64.1	169.8	-177.1	23.9	0	0	0	110.7	S165 G166 A170 S171	S165-D168 WeakPolarHBondContact CB-O 3.47Å; G166-D168 VanDerWaalsContact C-N 3.26Å; G166-D168 PolarHBondContact O-N 3.13Å; D168-A170 PolarHBondContact O-N 2.91Å; D168-A170 VanDerWaalsContact O-N 3.11Å; D168-S171 PolarHBondContact O-N 3.41Å; D168-S171 PolarHBondContact O-OG 3.33Å; D168-S171 WeakPolarHBondContact OD2-CB 3.48Å; D168-S171 PolarHBondContact OD2-OG 3.34Å
169	A	94.9	Very high	97.3	Very high	15 Å²	15	52.7 Å²	52.7	12%	0.124	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-62.4	-21.2	-173.7	0	0	0	0	0	114.1	L160 G166 S167 S171 F266	L160-A169 HydrophobicContact CD1-CB 4.19Å; L160-A169 HydrophobicContact CD2-CB 3.87Å; L160-A169 HydrophobicContact CG-CB 4.16Å; G166-A169 PolarHBondContact O-N 3.28Å; S167-A169 PolarHBondContact O-N 3.22Å; S167-A169 VanDerWaalsContact O-N 3.15Å; A169-S171 VanDerWaalsContact C-N 3.31Å; A169-S171 PolarHBondContact O-N 2.93Å; A169-F266 HydrophobicContact CB-CE2 4.18Å
170	A	96.8	Very high	97.2	Very high	14 Å²	14	55.9 Å²	55.9	12%	0.116	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-77.9	-13.7	-178	0	0	0	0	0	113.7	D168 L172 R206 P212 F266	D168-A170 PolarHBondContact O-N 2.91Å; D168-A170 VanDerWaalsContact O-N 3.11Å; A170-L172 VanDerWaalsContact C-N 3.33Å; A170-R206 PolarHBondContact O-NH2 3.13Å; A170-P212 HydrophobicContact CB-CG 3.85Å; A170-F266 HydrophobicContact CB-CD2 4.23Å; A170-F266 HydrophobicContact CB-CE2 3.67Å; A170-F266 HydrophobicContact CB-CZ 3.9Å
171	S	97.7	Very high	97.1	Very high	43 Å²	43	60.4 Å²	60.4	30%	0.301	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-90.1	9.1	179	61.4	0	0	0	0	114.4	D168 A169	D168-S171 PolarHBondContact O-N 3.41Å; D168-S171 PolarHBondContact O-OG 3.33Å; D168-S171 WeakPolarHBondContact OD2-CB 3.48Å; D168-S171 PolarHBondContact OD2-OG 3.34Å; A169-S171 VanDerWaalsContact C-N 3.31Å; A169-S171 PolarHBondContact O-N 2.93Å
172	L	98.6	Very high	97.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	37%	0.374	C	S	.	.			trans	-47.6	142.8	177.2	75	81.2	0	0	0	113	L160 E162 S165 A170 M204 R206 I215	L160-L172 HydrophobicContact CD1-CD2 3.96Å; E162-L172 HydrophobicContact CG-CB 4.42Å; E162-L172 WeakPolarHBondContact OE1-CB 3.37Å; S165-L172 WeakPolarHBondContact OG-CA 3.22Å; A170-L172 VanDerWaalsContact C-N 3.33Å; L172-M204 HydrophobicContact CD2-CB 3.96Å; L172-R206 HydrophobicContact CD1-CB 4.09Å; L172-R206 VanDerWaalsContact O-CZ 3.26Å; L172-R206 PolarHBondContact O-NE 3.08Å; L172-R206 PolarHBondContact O-NH2 3.34Å; L172-I215 HydrophobicContact CD1-CG1 4.28Å; L172-I215 HydrophobicContact CD2-CD1 3.64Å; L172-I215 HydrophobicContact CD2-CG1 4Å; L172-I215 HydrophobicContact CD2-CG2 3.96Å; L172-I215 HydrophobicContact CG-CD1 3.86Å; L172-I215 HydrophobicContact CG-CG1 4.08Å
173	L	98.7	Very high	97.1	Very high	135 Å²	135	60.3 Å²	60.3	71%	0.707	37%	0.371	S	S	*	.			trans	-111.8	-17.4	-173.6	-62.1	-179.2	0	0	0	113.3	E162 S175	E162-L173 VanDerWaalsContact CD-N 3.26Å; E162-L173 PolarHBondContact OE1-N 2.85Å; E162-L173 VanDerWaalsContact OE1-N 3.14Å; E162-L173 WeakPolarHBondContact OE2-CA 3.38Å; E162-L173 PolarHBondContact OE2-N 2.93Å; L173-S175 PolarHBondContact O-N 3.43Å
174	T	98.9	Very high	97.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	35%	0.345	C	S	.	.			trans	-51.4	116	172.6	-66.1	0	0	0	0	108.9	E162 N186 K189 C205 R206 F248	E162-T174 VanDerWaalsContact OE1-CB 3.24Å; E162-T174 WeakPolarHBondContact OE1-CB 3.34Å; E162-T174 PolarHBondContact OE1-N 3.29Å; E162-T174 PolarHBondContact OE1-OG1 3.1Å; E162-T174 PolarHBondContact OE2-N 3.12Å; T174-N186 CarbonylContact C-O 3.57Å; T174-N186 WeakPolarHBondContact CA-O 3.18Å; T174-K189 WeakPolarHBondContact OG1-CE 3.45Å; T174-C205 HydrophobicContact CG2-CB 3.99Å; T174-C205 CarbonylContact O-C 3.58Å; T174-C205 WeakPolarHBondContact O-CA 3.33Å; T174-R206 PolarHBondContact O-N 3.06Å; T174-F248 HydrophobicContact CG2-CD2 4.32Å
175	S	98.8	Very high	97.3	Very high	47 Å²	47	53 Å²	53	33%	0.329	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	154.5	-175.9	64.5	0	0	0	0	111	L173 L185 N186 R206	L173-S175 PolarHBondContact O-N 3.43Å; S175-L185 VanDerWaalsContact O-CA 3.24Å; S175-L185 WeakPolarHBondContact O-CA 3.35Å; S175-N186 PolarHBondContact N-O 3.22Å; S175-N186 PolarHBondContact O-N 3.06Å; S175-N186 PolarHBondContact OG-O 3.04Å; S175-R206 CarbonylContact C-O 3.57Å; S175-R206 WeakPolarHBondContact CA-O 3.5Å
176	A	98.8	Very high	97.6	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.025	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	94.5	171.5	0	0	0	0	0	108.8	Y183 I184 L185 C205 R206 T207	A176-Y183 HydrophobicContact CB-CD1 4.09Å; A176-Y183 HydrophobicContact CB-CG 4.15Å; A176-Y183 WeakPolarHBondContact O-CD1 3.45Å; A176-I184 WeakPolarHBondContact CA-O 3.4Å; A176-L185 HydrophobicContact CB-CD1 3.86Å; A176-L185 HydrophobicContact CB-CG 4.04Å; A176-C205 HydrophobicContact CB-CB 3.98Å; A176-C205 WeakPolarHBondContact CB-SG 3.41Å; A176-R206 PolarHBondContact N-O 3.44Å; A176-T207 HydrophobicContact CB-CG2 3.76Å
177	K	98.6	Very high	97.8	Very high	140 Å²	140	54.9 Å²	54.9	61%	0.609	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.1	-177.4	-175.4	178.3	178.8	-175.6	0	110.3	Q179 Y183 I184	K177-Q179 HydrophobicContact CG-CG 4.49Å; K177-Q179 PolarHBondContact O-N 2.92Å; K177-Y183 CarbonylContact O-C 3.59Å; K177-Y183 WeakPolarHBondContact O-CA 3.45Å; K177-I184 PolarHBondContact N-O 3.45Å; K177-I184 PolarHBondContact O-N 2.9Å
178	K	98.4	Very high	98	Very high	123 Å²	123	52.9 Å²	52.9	54%	0.535	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.5	175	-176.1	167.1	179.6	176.1	0	110.8	H182 Y183 L255	K178-H182 WeakPolarHBondContact CA-O 3.46Å; K178-Y183 HydrophobicContact CB-CD1 4.1Å; K178-Y183 HydrophobicContact CB-CE1 3.94Å; K178-L255 HydrophobicContact CD-CD1 4.28Å; K178-L255 HydrophobicContact CD-CD2 4.24Å; K178-L255 HydrophobicContact CG-CD1 4.41Å; K178-L255 HydrophobicContact CG-CD2 4.13Å
179	Q	97.9	Very high	98.2	Very high	104 Å²	104	48.2 Å²	48.2	49%	0.486	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	107.7	173.9	-63.3	-169.2	17.8	0	0	108.7	K177 D181 H182 I184	K177-Q179 HydrophobicContact CG-CG 4.49Å; K177-Q179 PolarHBondContact O-N 2.92Å; Q179-D181 PolarHBondContact O-N 3.48Å; Q179-H182 PolarHBondContact N-O 3.25Å; Q179-H182 PolarHBondContact O-N 3.47Å; Q179-H182 VanDerWaalsContact O-N 3.09Å; Q179-I184 HydrophobicContact CB-CG1 4.11Å; Q179-I184 VanDerWaalsContact CD-CG1 3.49Å; Q179-I184 HydrophobicContact CG-CG1 3.86Å
180	G	96.6	Very high	98.4	Very high	66 Å²	66	48 Å²	48	68%	0.68	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	-122.7	-173.5	0	0	0	0	0	111.9
181	D	97.3	Very high	98.5	Very high	110 Å²	110	54.1 Å²	54.1	59%	0.588	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	10.7	178.9	63.3	-25.9	0	0	0	113.8	Q179 L255	Q179-D181 PolarHBondContact O-N 3.48Å; D181-L255 WeakPolarHBondContact O-CG 3.47Å; D181-L255 PolarHBondContact O-N 3.41Å
182	H	98.6	Very high	98.5	Very high	56 Å²	56	52.3 Å²	52.3	26%	0.259	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.2	178.9	-66.5	73.5	0	0	0	112.8	K178 Q179 V253	K178-H182 WeakPolarHBondContact CA-O 3.46Å; Q179-H182 PolarHBondContact N-O 3.25Å; Q179-H182 PolarHBondContact O-N 3.47Å; Q179-H182 VanDerWaalsContact O-N 3.09Å; H182-V253 CarbonylContact C-O 3.03Å; H182-V253 VanDerWaalsContact CA-O 3.26Å; H182-V253 WeakPolarHBondContact CA-O 3.22Å
183	Y	98.8	Very high	98.5	Very high	1 Å²	1	53 Å²	53	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.3	153	-70.3	-66.1	0	0	0	109.6	A176 K177 K178 T207 V218 A252 V253 L255 R258 E262	A176-Y183 HydrophobicContact CB-CD1 4.09Å; A176-Y183 HydrophobicContact CB-CG 4.15Å; A176-Y183 WeakPolarHBondContact O-CD1 3.45Å; K177-Y183 CarbonylContact O-C 3.59Å; K177-Y183 WeakPolarHBondContact O-CA 3.45Å; K178-Y183 HydrophobicContact CB-CD1 4.1Å; K178-Y183 HydrophobicContact CB-CE1 3.94Å; Y183-T207 HydrophobicContact CD1-CG2 4.25Å; Y183-T207 HydrophobicContact CE1-CG2 3.76Å; Y183-V218 HydrophobicContact CD2-CG2 4.22Å; Y183-V218 HydrophobicContact CE2-CG2 4.39Å; Y183-A252 CarbonylContact O-C 3.6Å; Y183-A252 WeakPolarHBondContact O-CA 3.39Å; Y183-V253 PolarHBondContact N-O 3.22Å; Y183-V253 PolarHBondContact O-N 2.86Å; Y183-L255 HydrophobicContact CD1-CD2 4.01Å; Y183-L255 HydrophobicContact CD2-CD2 3.55Å; Y183-L255 HydrophobicContact CE1-CD2 3.78Å; Y183-L255 HydrophobicContact CE2-CD2 3.28Å; Y183-L255 HydrophobicContact CG-CD2 3.87Å; Y183-R258 HydrophobicContact CE2-CB 4.16Å; Y183-R258 HydrophobicContact CE2-CG 4.42Å; Y183-R258 WeakPolarHBondContact OH-CD 3.06Å; Y183-R258 PolarHBondContact OH-NH1 3.21Å; Y183-R258 VanDerWaalsContact OH-NH1 3.16Å; Y183-E262 VanDerWaalsContact OH-CD 3.24Å; Y183-E262 WeakPolarHBondContact OH-CG 3.41Å; Y183-E262 PolarHBondContact OH-OE1 3.45Å
184	I	98.9	Very high	98.5	Very high	22 Å²	22	46.5 Å²	46.5	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.7	167.9	-52	-50.9	0	0	0	108	A176 K177 Q179 D250 A252	A176-I184 WeakPolarHBondContact CA-O 3.4Å; K177-I184 PolarHBondContact N-O 3.45Å; K177-I184 PolarHBondContact O-N 2.9Å; Q179-I184 HydrophobicContact CB-CG1 4.11Å; Q179-I184 VanDerWaalsContact CD-CG1 3.49Å; Q179-I184 HydrophobicContact CG-CG1 3.86Å; I184-D250 HydrophobicContact CG2-CB 4.13Å; I184-A252 HydrophobicContact CD1-CB 3.65Å
185	L	98.9	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.3	-178.9	-82.3	68.1	0	0	0	111	S175 A176 V203 V220 F248 D250 C251 V253	S175-L185 VanDerWaalsContact O-CA 3.24Å; S175-L185 WeakPolarHBondContact O-CA 3.35Å; A176-L185 HydrophobicContact CB-CD1 3.86Å; A176-L185 HydrophobicContact CB-CG 4.04Å; L185-V203 HydrophobicContact CD2-CG1 4.42Å; L185-V220 HydrophobicContact CD2-CG2 3.9Å; L185-F248 HydrophobicContact CB-CB 4.03Å; L185-F248 HydrophobicContact CB-CD1 4.24Å; L185-F248 HydrophobicContact CB-CG 4.27Å; L185-F248 HydrophobicContact CD2-CD1 4.12Å; L185-F248 HydrophobicContact CD2-CE1 4.25Å; L185-D250 PolarHBondContact O-N 3.43Å; L185-C251 HydrophobicContact CB-CB 4.11Å; L185-C251 PolarHBondContact N-O 3.03Å; L185-C251 PolarHBondContact O-N 3.41Å; L185-V253 HydrophobicContact CD1-CB 4.18Å; L185-V253 HydrophobicContact CD1-CG2 3.94Å; L185-V253 HydrophobicContact CD2-CG2 4.46Å
186	N	98.9	Very high	98.4	Very high	55 Å²	55	44.7 Å²	44.7	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.1	174.6	-85.6	-67.4	0	0	0	110.7	T174 S175 F248 D250	T174-N186 CarbonylContact C-O 3.57Å; T174-N186 WeakPolarHBondContact CA-O 3.18Å; S175-N186 PolarHBondContact N-O 3.22Å; S175-N186 PolarHBondContact O-N 3.06Å; S175-N186 PolarHBondContact OG-O 3.04Å; N186-F248 WeakPolarHBondContact CA-O 3.39Å; N186-D250 PolarHBondContact ND2-OD1 3.47Å; N186-D250 PolarHBondContact OD1-N 2.9Å
187	G	98.8	Very high	98.4	Very high	30 Å²	30	48.6 Å²	48.6	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.2	-170.8	175	0	0	0	0	0	113.3	F248	G187-F248 PolarHBondContact N-O 3.17Å; G187-F248 PolarHBondContact O-N 3.16Å
188	S	98.6	Very high	98.4	Very high	46 Å²	46	42 Å²	42	32%	0.322	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.9	178.5	64.3	0	0	0	0	111.8	E162 V246	E162-S188 WeakPolarHBondContact CG-O 3.17Å; S188-V246 CarbonylContact C-O 3.48Å; S188-V246 WeakPolarHBondContact CA-O 3.41Å
189	K	98.9	Very high	98.4	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	147.3	173.3	-59.9	-64.4	-174.7	-169.9	0	109.7	C159 L160 T161 E162 T174 I192 M204 A245 V246 F248	C159-K189 HydrophobicContact CB-CG 4.09Å; C159-K189 WeakPolarHBondContact O-CE 3.28Å; L160-K189 PolarHBondContact O-NZ 3.41Å; T161-K189 CarbonylContact O-C 3.55Å; T161-K189 VanDerWaalsContact O-CA 3.25Å; T161-K189 WeakPolarHBondContact O-CA 3.35Å; T161-K189 WeakPolarHBondContact O-CD 3.43Å; E162-K189 HydrophobicContact CG-CD 3.82Å; E162-K189 IonicContact OE1-NZ 2.73Å; E162-K189 PolarHBondContact OE1-NZ 3.3Å; T174-K189 WeakPolarHBondContact OG1-CE 3.45Å; K189-I192 HydrophobicContact CB-CD1 3.93Å; K189-I192 HydrophobicContact CB-CG1 3.87Å; K189-M204 WeakPolarHBondContact CE-O 3.43Å; K189-M204 PolarHBondContact NZ-O 2.78Å; K189-A245 CarbonylContact O-C 3.55Å; K189-A245 WeakPolarHBondContact O-CA 3.4Å; K189-A245 WeakPolarHBondContact O-CB 3.25Å; K189-V246 HydrophobicContact CB-CB 4.27Å; K189-V246 PolarHBondContact N-O 3.18Å; K189-V246 PolarHBondContact O-N 3.18Å; K189-F248 HydrophobicContact CG-CE2 3.9Å
190	A	98.6	Very high	98.5	Very high	12 Å²	12	33.4 Å²	33.4	10%	0.099	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.1	-175.9	0	0	0	0	0	111.4	T161 P163 I192	T161-A190 PolarHBondContact O-N 3.35Å; P163-A190 HydrophobicContact CG-CB 4.17Å; A190-I192 VanDerWaalsContact C-N 3.33Å; A190-I192 WeakPolarHBondContact O-CD1 3.33Å; A190-I192 PolarHBondContact O-N 3.18Å
191	F	98.6	Very high	98.6	Very high	141 Å²	141	30.3 Å²	30.3	62%	0.618	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	60.6	34.5	176.1	-49.2	-74.3	0	0	0	115	T161 S193 T243	T161-F191 HydrophobicContact CG2-CD2 4.03Å; F191-S193 PolarHBondContact O-N 2.97Å; F191-S193 VanDerWaalsContact O-N 3.16Å; F191-T243 HydrophobicContact CB-CG2 4.2Å; F191-T243 HydrophobicContact CD1-CG2 4.46Å
192	I	98.9	Very high	98.6	Very high	5 Å²	5	25 Å²	25	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	108.3	-175.8	-54	-48.7	0	0	0	110.6	Y158 C159 K189 A190 G195 T243 R244 V246	Y158-I192 WeakPolarHBondContact O-CD1 3.48Å; C159-I192 HydrophobicContact CB-CD1 4.38Å; K189-I192 HydrophobicContact CB-CD1 3.93Å; K189-I192 HydrophobicContact CB-CG1 3.87Å; A190-I192 VanDerWaalsContact C-N 3.33Å; A190-I192 WeakPolarHBondContact O-CD1 3.33Å; A190-I192 PolarHBondContact O-N 3.18Å; I192-G195 PolarHBondContact O-N 3.39Å; I192-T243 WeakPolarHBondContact O-CA 3.4Å; I192-R244 WeakPolarHBondContact CB-O 3.43Å; I192-R244 PolarHBondContact N-O 2.99Å; I192-R244 PolarHBondContact O-N 3.28Å; I192-V246 HydrophobicContact CB-CG2 3.72Å; I192-V246 HydrophobicContact CG1-CB 4.27Å; I192-V246 HydrophobicContact CG1-CG2 3.66Å; I192-V246 HydrophobicContact CG2-CG2 3.84Å
193	S	98.8	Very high	98.7	Very high	14 Å²	14	22.4 Å²	22.4	10%	0.098	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	128.6	172	-71.2	0	0	0	0	111.5	S157 F191 G195 Q241 P242	S157-S193 WeakPolarHBondContact CB-O 3.34Å; S157-S193 PolarHBondContact OG-O 2.79Å; F191-S193 PolarHBondContact O-N 2.97Å; F191-S193 VanDerWaalsContact O-N 3.16Å; S193-G195 PolarHBondContact O-N 2.81Å; S193-Q241 PolarHBondContact OG-OE1 3.27Å; S193-P242 CarbonylContact C-O 3.58Å
194	G	98.5	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	3.5	-171.9	0	0	0	0	0	113.6	S157 G196 E197 S198 P242	S157-G194 VanDerWaalsContact OG-C 3.26Å; S157-G194 PolarHBondContact OG-O 3.33Å; G194-G196 PolarHBondContact O-N 3.44Å; G194-E197 PolarHBondContact O-N 2.87Å; G194-S198 PolarHBondContact O-N 3.32Å; G194-S198 PolarHBondContact O-OG 3.4Å; G194-S198 VanDerWaalsContact O-OG 3.08Å; G194-P242 PolarHBondContact N-O 3.29Å
195	G	97.6	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	128.1	-179.1	0	0	0	0	0	111.7	I192 S193 E197 R244	I192-G195 PolarHBondContact O-N 3.39Å; S193-G195 PolarHBondContact O-N 2.81Å; G195-E197 VanDerWaalsContact C-N 3.29Å; G195-E197 PolarHBondContact O-N 2.75Å; G195-R244 WeakPolarHBondContact O-CD 3.45Å; G195-R244 WeakPolarHBondContact O-CG 3.49Å; G195-R244 PolarHBondContact O-NE 3.45Å
196	G	97.3	Very high	98.7	Very high	9 Å²	9	23.1 Å²	23.1	9%	0.093	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-27.6	-176.1	0	0	0	0	0	114.2	G194 Y201 K222	G194-G196 PolarHBondContact O-N 3.44Å; G196-Y201 PolarHBondContact N-OH 2.87Å; G196-Y201 VanDerWaalsContact N-OH 3.09Å; G196-K222 PolarHBondContact O-NZ 3.48Å
197	E	98.4	Very high	98.7	Very high	86 Å²	86	22.2 Å²	22.2	40%	0.402	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-32.1	175.1	-57.8	-57.1	141.1	0	0	112.1	F73 G194 G195 P242	F73-E197 HydrophobicContact CB-CG 4.4Å; F73-E197 HydrophobicContact CD1-CB 3.75Å; F73-E197 HydrophobicContact CD1-CG 3.87Å; F73-E197 HydrophobicContact CE1-CB 3.78Å; F73-E197 HydrophobicContact CE1-CG 4.4Å; F73-E197 HydrophobicContact CG-CB 4.45Å; F73-E197 HydrophobicContact CG-CG 4.21Å; F73-E197 HydrophobicContact CZ-CB 4.49Å; G194-E197 PolarHBondContact O-N 2.87Å; G195-E197 VanDerWaalsContact C-N 3.29Å; G195-E197 PolarHBondContact O-N 2.75Å; E197-P242 HydrophobicContact CB-CG 4.24Å; E197-P242 HydrophobicContact CG-CB 4.48Å; E197-P242 HydrophobicContact CG-CG 3.42Å; E197-P242 VanDerWaalsContact CG-CG 3.42Å
198	S	98.8	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.			trans	-69.3	145.8	-179.3	-61.3	0	0	0	0	111.8	Y122 F155 A156 S157 G194 Y201	Y122-S198 PolarHBondContact OH-OG 3.2Å; F155-S198 WeakPolarHBondContact O-CB 3.46Å; A156-S198 PolarHBondContact O-OG 2.98Å; S157-S198 WeakPolarHBondContact OG-CB 3.49Å; S157-S198 PolarHBondContact OG-OG 3.41Å; G194-S198 PolarHBondContact O-N 3.32Å; G194-S198 PolarHBondContact O-OG 3.4Å; G194-S198 VanDerWaalsContact O-OG 3.08Å; S198-Y201 WeakPolarHBondContact O-CE2 3.44Å; S198-Y201 VanDerWaalsContact O-CZ 3.24Å; S198-Y201 PolarHBondContact O-OH 2.85Å
199	D	98.9	Very high	98.5	Very high	47 Å²	47	22.8 Å²	22.8	25%	0.251	14%	0.137	S	C	.	.	S	Bend	trans	-93.3	-29.1	176.5	-55.8	-77.6	0	0	0	111.7	K154 F155 E221 K222	K154-D199 VanDerWaalsContact CA-OD2 3.28Å; K154-D199 WeakPolarHBondContact CA-OD2 3.44Å; K154-D199 HydrophobicContact CB-CB 3.92Å; K154-D199 HydrophobicContact CD-CB 3.87Å; K154-D199 HydrophobicContact CG-CB 3.83Å; F155-D199 PolarHBondContact N-OD2 2.77Å; F155-D199 VanDerWaalsContact N-OD2 3.08Å; F155-D199 PolarHBondContact O-N 2.67Å; D199-E221 CarbonylContact O-C 3.56Å; D199-E221 WeakPolarHBondContact O-CA 3.41Å; D199-K222 PolarHBondContact O-N 3.5Å
200	I	98.9	Very high	98.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.5	-176.5	-56.4	-58.1	0	0	0	109.7	I133 F145 L149 K154 F155 A156 S157 V219 E221	I133-I200 HydrophobicContact CD1-CG2 4.21Å; F145-I200 HydrophobicContact CD1-CD1 3.92Å; F145-I200 HydrophobicContact CE1-CD1 4.25Å; L149-I200 HydrophobicContact CD2-CB 4.26Å; L149-I200 HydrophobicContact CD2-CG1 4.01Å; K154-I200 HydrophobicContact CD-CD1 4.33Å; K154-I200 HydrophobicContact CD-CG1 4.42Å; F155-I200 PolarHBondContact O-N 2.86Å; A156-I200 CarbonylContact C-O 3.57Å; A156-I200 WeakPolarHBondContact CA-O 3.49Å; A156-I200 HydrophobicContact CB-CB 4.24Å; S157-I200 PolarHBondContact N-O 3.46Å; I200-V219 HydrophobicContact CG2-CG1 3.83Å; I200-E221 HydrophobicContact CD1-CG 4.02Å
201	Y	98.9	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.7	176.8	-63.6	-94.2	0	0	0	109.5	S157 G196 S198 V203 V219 V220 K222 L227 F229 V246	S157-Y201 WeakPolarHBondContact O-CA 3.42Å; G196-Y201 PolarHBondContact N-OH 2.87Å; G196-Y201 VanDerWaalsContact N-OH 3.09Å; S198-Y201 WeakPolarHBondContact O-CE2 3.44Å; S198-Y201 VanDerWaalsContact O-CZ 3.24Å; S198-Y201 PolarHBondContact O-OH 2.85Å; Y201-V203 PolarHBondContact O-N 2.86Å; Y201-V219 CarbonylContact O-C 3.51Å; Y201-V219 WeakPolarHBondContact O-CA 3.25Å; Y201-V220 PolarHBondContact N-O 3.01Å; Y201-V220 PolarHBondContact O-N 3.37Å; Y201-K222 HydrophobicContact CE2-CB 4.18Å; Y201-L227 HydrophobicContact CD2-CD2 4.25Å; Y201-L227 HydrophobicContact CE2-CD2 4.37Å; Y201-F229 AromaticContact CE1-CE1 3.72Å; Y201-F229 HydrophobicContact CE1-CE1 3.72Å; Y201-F229 HydrophobicContact CE1-CZ 4.35Å; Y201-F229 HydrophobicContact CE2-CE1 4.07Å; Y201-F229 AromaticContact CE2-CZ 3.87Å; Y201-F229 HydrophobicContact CE2-CZ 3.87Å; Y201-F229 AromaticContact CZ-CE1 3.38Å; Y201-F229 AromaticContact CZ-CZ 3.57Å; Y201-F229 WeakPolarHBondContact OH-CE1 3.38Å; Y201-F229 VanDerWaalsContact OH-CZ 3.28Å; Y201-F229 WeakPolarHBondContact OH-CZ 3.29Å; Y201-V246 HydrophobicContact CD1-CG1 4.41Å; Y201-V246 HydrophobicContact CD1-CG2 4.26Å; Y201-V246 HydrophobicContact CE1-CG2 4.03Å
202	V	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	99.4	174	-179.3	0	0	0	0	107.9	C129 M132 I133 S157 Y158 C159 C217	C129-V202 HydrophobicContact CB-CG2 3.78Å; M132-V202 HydrophobicContact SD-CG1 3.93Å; I133-V202 HydrophobicContact CD1-CG2 4.2Å; I133-V202 HydrophobicContact CG1-CG2 4.39Å; S157-V202 PolarHBondContact O-N 3.3Å; Y158-V202 HydrophobicContact CD2-CB 4.37Å; Y158-V202 HydrophobicContact CD2-CG1 4.31Å; C159-V202 WeakPolarHBondContact CB-O 3.49Å; C159-V202 PolarHBondContact N-O 3.35Å; V202-C217 VanDerWaalsContact CG1-SG 3.52Å
203	V	98.9	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.5	-169	-171.8	0	0	0	0	111.3	C159 L185 Y201 C205 C217 V218 V220 F248	C159-V203 HydrophobicContact CB-CB 4.18Å; C159-V203 HydrophobicContact CB-CG1 4.24Å; C159-V203 HydrophobicContact CB-CG2 3.85Å; L185-V203 HydrophobicContact CD2-CG1 4.42Å; Y201-V203 PolarHBondContact O-N 2.86Å; V203-C205 HydrophobicContact CG1-CB 4.44Å; V203-C217 WeakPolarHBondContact O-CA 3.44Å; V203-V218 PolarHBondContact N-O 2.99Å; V203-V218 PolarHBondContact O-N 3.48Å; V203-V220 HydrophobicContact CB-CG2 4.38Å; V203-V220 HydrophobicContact CG2-CB 4.27Å; V203-V220 HydrophobicContact CG2-CG2 3.71Å; V203-F248 HydrophobicContact CG1-CE2 4.23Å; V203-F248 HydrophobicContact CG1-CZ 4.02Å; V203-F248 HydrophobicContact CG2-CE1 4.18Å; V203-F248 HydrophobicContact CG2-CZ 3.67Å
204	M	98.9	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.2	168.4	-63.2	-64.3	168.6	0	0	109.1	M132 Y158 C159 L160 L172 K189 I215 S216 C217 G265 I268 A269	M132-M204 HydrophobicContact SD-CE 4.24Å; Y158-M204 HydrophobicContact CE2-CE 3.92Å; Y158-M204 HydrophobicContact CE2-CG 4.15Å; C159-M204 PolarHBondContact O-N 3.09Å; L160-M204 HydrophobicContact CD1-CB 3.74Å; L160-M204 HydrophobicContact CD1-CG 3.92Å; L172-M204 HydrophobicContact CD2-CB 3.96Å; K189-M204 WeakPolarHBondContact CE-O 3.43Å; K189-M204 PolarHBondContact NZ-O 2.78Å; M204-I215 HydrophobicContact CB-CG2 4.1Å; M204-I215 HydrophobicContact SD-CG2 4.38Å; M204-S216 WeakPolarHBondContact CA-O 3.43Å; M204-C217 HydrophobicContact CE-CB 3.86Å; M204-C217 HydrophobicContact SD-CB 3.9Å; M204-G265 WeakPolarHBondContact CE-O 3.28Å; M204-I268 HydrophobicContact CE-CB 4.22Å; M204-I268 HydrophobicContact CE-CG2 3.98Å; M204-A269 HydrophobicContact CE-CB 3.97Å; M204-A269 HydrophobicContact CG-CB 4.45Å; M204-A269 HydrophobicContact SD-CB 4.3Å
205	C	98.8	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.4	-174.8	56	0	0	0	0	111.6	T174 A176 V203 T207 I215 S216	T174-C205 HydrophobicContact CG2-CB 3.99Å; T174-C205 CarbonylContact O-C 3.58Å; T174-C205 WeakPolarHBondContact O-CA 3.33Å; A176-C205 HydrophobicContact CB-CB 3.98Å; A176-C205 WeakPolarHBondContact CB-SG 3.41Å; V203-C205 HydrophobicContact CG1-CB 4.44Å; C205-T207 PolarHBondContact O-N 3.21Å; C205-I215 CarbonylContact O-C 3.6Å; C205-I215 WeakPolarHBondContact O-CA 3.21Å; C205-S216 PolarHBondContact N-O 3.44Å; C205-S216 PolarHBondContact O-N 3.15Å
206	R	98.8	Very high	98.3	Very high	39 Å²	39	33.9 Å²	33.9	15%	0.147	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113	-178.6	-170.4	172	-58.7	-71.1	-3.8	110.7	A170 L172 T174 S175 A176 G208 G209 G211 G214	A170-R206 PolarHBondContact O-NH2 3.13Å; L172-R206 HydrophobicContact CD1-CB 4.09Å; L172-R206 VanDerWaalsContact O-CZ 3.26Å; L172-R206 PolarHBondContact O-NE 3.08Å; L172-R206 PolarHBondContact O-NH2 3.34Å; T174-R206 PolarHBondContact O-N 3.06Å; S175-R206 CarbonylContact C-O 3.57Å; S175-R206 WeakPolarHBondContact CA-O 3.5Å; A176-R206 PolarHBondContact N-O 3.44Å; R206-G208 WeakPolarHBondContact CG-O 3.35Å; R206-G209 PolarHBondContact NH1-O 2.9Å; R206-G211 PolarHBondContact NH1-O 3.36Å; R206-G214 CarbonylContact C-O 3.56Å; R206-G214 WeakPolarHBondContact CA-O 3.24Å
207	T	98.7	Very high	98.4	Very high	35 Å²	35	33.5 Å²	33.5	22%	0.215	20%	0.203	C	C	.	.	S	Bend	trans	-103.8	-21.7	173	56.7	0	0	0	0	112.2	A176 Y183 C205 G214 S216	A176-T207 HydrophobicContact CB-CG2 3.76Å; Y183-T207 HydrophobicContact CD1-CG2 4.25Å; Y183-T207 HydrophobicContact CE1-CG2 3.76Å; C205-T207 PolarHBondContact O-N 3.21Å; T207-G214 PolarHBondContact N-O 3.36Å; T207-S216 PolarHBondContact OG1-OG 3.32Å
208	G	97.6	Very high	98.4	Very high	44 Å²	44	29.4 Å²	29.4	45%	0.454	18%	0.184	S	C	.	.	S	Bend	trans	-117.7	-150.2	-178.4	0	0	0	0	0	113.7	R206 G214	R206-G208 WeakPolarHBondContact CG-O 3.35Å; G208-G214 PolarHBondContact N-O 3.03Å
209	G	97	Very high	98.4	Very high	45 Å²	45	29.4 Å²	29.4	46%	0.464	18%	0.184	S	C	.	.	S	Bend	trans	-70	-171.3	-179.9	0	0	0	0	0	115	R206 G214	R206-G209 PolarHBondContact NH1-O 2.9Å; G209-G214 WeakPolarHBondContact O-CA 3.23Å
210	P	96.9	Very high	98.5	Very high	125 Å²	125	27.1 Å²	27.1	81%	0.812	17%	0.172	S	C	*	.	S	Bend	trans	-67	160.8	176.7	29	-35.1	0	0	0	112.7
211	G	96.9	Very high	98.4	Very high	25 Å²	25	29.4 Å²	29.4	26%	0.258	18%	0.183	S	C	.	.	S	Bend	trans	76.6	-171.7	176.2	0	0	0	0	0	115.1	R206 K213 G214	R206-G211 PolarHBondContact NH1-O 3.36Å; G211-K213 PolarHBondContact O-N 2.77Å; G211-G214 PolarHBondContact O-N 3.25Å
212	P	97.8	Very high	98.4	Very high	61 Å²	61	33.7 Å²	33.7	40%	0.396	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-57.7	-40.9	-171.6	-30.2	37.1	0	0	0	115.2	A170 G214 I215 F266	A170-P212 HydrophobicContact CB-CG 3.85Å; P212-G214 PolarHBondContact O-N 3.43Å; P212-I215 PolarHBondContact O-N 2.97Å; P212-F266 HydrophobicContact CB-CB 4.01Å; P212-F266 HydrophobicContact CB-CD1 3.59Å; P212-F266 HydrophobicContact CB-CE1 4.17Å; P212-F266 HydrophobicContact CB-CG 3.8Å; P212-F266 HydrophobicContact CG-CD1 4.13Å; P212-F266 HydrophobicContact CG-CE1 4.2Å; P212-F266 WeakPolarHBondContact O-CB 3.44Å
213	K	98.3	Very high	98.4	Very high	193 Å²	193	36.9 Å²	36.9	84%	0.839	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-69.6	-12.9	-175.3	-64.6	-175.6	178.5	-177.8	0	113.6	G211 G263	G211-K213 PolarHBondContact O-N 2.77Å; K213-G263 WeakPolarHBondContact O-CA 3.36Å
214	G	98.4	Very high	98.4	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-92.3	0.5	177.5	0	0	0	0	0	114.6	R206 T207 G208 G209 G211 P212	R206-G214 CarbonylContact C-O 3.56Å; R206-G214 WeakPolarHBondContact CA-O 3.24Å; T207-G214 PolarHBondContact N-O 3.36Å; G208-G214 PolarHBondContact N-O 3.03Å; G209-G214 WeakPolarHBondContact O-CA 3.23Å; G211-G214 PolarHBondContact O-N 3.25Å; P212-G214 PolarHBondContact O-N 3.43Å
215	I	98.9	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.3	-174.4	-62.1	167.7	0	0	0	109.9	L172 M204 C205 P212 G263 Q264 G265 F266	L172-I215 HydrophobicContact CD1-CG1 4.28Å; L172-I215 HydrophobicContact CD2-CD1 3.64Å; L172-I215 HydrophobicContact CD2-CG1 4Å; L172-I215 HydrophobicContact CD2-CG2 3.96Å; L172-I215 HydrophobicContact CG-CD1 3.86Å; L172-I215 HydrophobicContact CG-CG1 4.08Å; M204-I215 HydrophobicContact CB-CG2 4.1Å; M204-I215 HydrophobicContact SD-CG2 4.38Å; C205-I215 CarbonylContact O-C 3.6Å; C205-I215 WeakPolarHBondContact O-CA 3.21Å; P212-I215 PolarHBondContact O-N 2.97Å; I215-G263 CarbonylContact O-C 3.54Å; I215-G263 WeakPolarHBondContact O-CA 3.32Å; I215-Q264 PolarHBondContact O-N 3.44Å; I215-G265 WeakPolarHBondContact O-CA 3.45Å; I215-G265 PolarHBondContact O-N 2.78Å; I215-F266 HydrophobicContact CB-CB 4.3Å; I215-F266 HydrophobicContact CD1-CB 4.29Å; I215-F266 HydrophobicContact CD1-CD2 3.77Å; I215-F266 HydrophobicContact CD1-CG 4.4Å
216	S	98.9	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	160	173.8	-62.7	0	0	0	0	110.9	M204 C205 T207 E262 G263	M204-S216 WeakPolarHBondContact CA-O 3.43Å; C205-S216 PolarHBondContact N-O 3.44Å; C205-S216 PolarHBondContact O-N 3.15Å; T207-S216 PolarHBondContact OG1-OG 3.32Å; S216-E262 WeakPolarHBondContact OG-CA 3.05Å; S216-G263 PolarHBondContact OG-N 2.93Å
217	C	98.9	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	174.9	-175.7	0	0	0	0	109.4	V202 V203 M204 R258 I259 I268	V202-C217 VanDerWaalsContact CG1-SG 3.52Å; V203-C217 WeakPolarHBondContact O-CA 3.44Å; M204-C217 HydrophobicContact CE-CB 3.86Å; M204-C217 HydrophobicContact SD-CB 3.9Å; C217-R258 CarbonylContact O-C 3.55Å; C217-R258 WeakPolarHBondContact O-CA 3.2Å; C217-R258 WeakPolarHBondContact O-CG 3.31Å; C217-I259 HydrophobicContact CB-CB 4.16Å; C217-I259 PolarHBondContact O-N 2.99Å; C217-I268 HydrophobicContact CB-CD1 3.9Å
218	V	98.9	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133	-179.4	179.3	0	0	0	0	109.8	Y183 V203 V220 V253 N257 R258	Y183-V218 HydrophobicContact CD2-CG2 4.22Å; Y183-V218 HydrophobicContact CE2-CG2 4.39Å; V203-V218 PolarHBondContact N-O 2.99Å; V203-V218 PolarHBondContact O-N 3.48Å; V218-V220 HydrophobicContact CG1-CG2 4.35Å; V218-V253 HydrophobicContact CG1-CB 4.39Å; V218-V253 HydrophobicContact CG1-CG1 3.67Å; V218-N257 HydrophobicContact CG1-CB 4.39Å; V218-R258 HydrophobicContact CG2-CB 4.5Å; V218-R258 HydrophobicContact CG2-CG 4.41Å
219	V	98.9	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.2	171	173.7	0	0	0	0	109.9	I133 F145 I200 Y201 N257 I259	I133-V219 HydrophobicContact CD1-CG2 3.89Å; I133-V219 HydrophobicContact CG1-CG2 4.05Å; F145-V219 HydrophobicContact CD1-CG1 4.2Å; F145-V219 HydrophobicContact CD2-CG1 4.45Å; F145-V219 HydrophobicContact CE1-CG1 3.76Å; F145-V219 HydrophobicContact CE2-CB 4.22Å; F145-V219 HydrophobicContact CE2-CG1 4.04Å; F145-V219 HydrophobicContact CE2-CG2 4.4Å; F145-V219 HydrophobicContact CZ-CB 4.19Å; F145-V219 HydrophobicContact CZ-CG1 3.66Å; I200-V219 HydrophobicContact CG2-CG1 3.83Å; Y201-V219 CarbonylContact O-C 3.51Å; Y201-V219 WeakPolarHBondContact O-CA 3.25Å; V219-N257 HydrophobicContact CB-CB 4.39Å; V219-N257 PolarHBondContact N-O 3.25Å; V219-N257 VanDerWaalsContact O-CB 3.24Å; V219-N257 WeakPolarHBondContact O-CB 3.38Å; V219-N257 PolarHBondContact O-ND2 3.14Å; V219-I259 HydrophobicContact CG2-CD1 3.84Å; V219-I259 HydrophobicContact CG2-CG1 3.76Å
220	V	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.4	174	-169.7	0	0	0	0	108.9	L185 Y201 V203 V218 L227 F248 V253	L185-V220 HydrophobicContact CD2-CG2 3.9Å; Y201-V220 PolarHBondContact N-O 3.01Å; Y201-V220 PolarHBondContact O-N 3.37Å; V203-V220 HydrophobicContact CB-CG2 4.38Å; V203-V220 HydrophobicContact CG2-CB 4.27Å; V203-V220 HydrophobicContact CG2-CG2 3.71Å; V218-V220 HydrophobicContact CG1-CG2 4.35Å; V220-L227 HydrophobicContact CG1-CD2 4.03Å; V220-F248 HydrophobicContact CB-CE1 4.37Å; V220-F248 HydrophobicContact CG1-CE1 4.22Å; V220-F248 HydrophobicContact CG2-CE1 4.11Å; V220-V253 HydrophobicContact CG1-CG2 4.07Å; V220-V253 HydrophobicContact CG2-CG1 4.49Å; V220-V253 HydrophobicContact CG2-CG2 3.96Å
221	E	98.9	Very high	98.6	Very high	49 Å²	49	45.4 Å²	45.4	23%	0.229	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.4	179.3	-61.8	-174.6	81.8	0	0	110.2	K144 F145 K154 D199 I200 G223 T224	K144-E221 IonicContact NZ-OE2 3.06Å; K144-E221 PolarHBondContact NZ-OE2 3.07Å; F145-E221 HydrophobicContact CE1-CG 4.15Å; K154-E221 IonicContact NZ-OE1 3.61Å; D199-E221 CarbonylContact O-C 3.56Å; D199-E221 WeakPolarHBondContact O-CA 3.41Å; I200-E221 HydrophobicContact CD1-CG 4.02Å; E221-G223 PolarHBondContact O-N 3.22Å; E221-T224 WeakPolarHBondContact O-CB 3.32Å; E221-T224 PolarHBondContact O-N 3.39Å; E221-T224 PolarHBondContact O-OG1 3.01Å
222	K	98.8	Very high	98.7	Very high	89 Å²	89	47.3 Å²	47.3	39%	0.387	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	134.9	173	-174.5	-173	172.6	76.2	0	109.5	G196 D199 Y201 F229	G196-K222 PolarHBondContact O-NZ 3.48Å; D199-K222 PolarHBondContact O-N 3.5Å; Y201-K222 HydrophobicContact CE2-CB 4.18Å; K222-F229 HydrophobicContact CG-CE2 4.49Å
223	G	98.5	Very high	98.7	Very high	67 Å²	67	47.4 Å²	47.4	69%	0.691	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-6.6	-176.7	0	0	0	0	0	114.2	E221 P225	E221-G223 PolarHBondContact O-N 3.22Å; G223-P225 WeakPolarHBondContact O-CD 3.1Å
224	T	98.8	Very high	98.8	Very high	29 Å²	29	45.6 Å²	45.6	18%	0.178	26%	0.255	C	S	.	.			trans	-58.6	125.7	169.5	-56.6	0	0	0	0	109.9	E221 G226 L227 A252 V253	E221-T224 WeakPolarHBondContact O-CB 3.32Å; E221-T224 PolarHBondContact O-N 3.39Å; E221-T224 PolarHBondContact O-OG1 3.01Å; T224-G226 PolarHBondContact O-N 3.42Å; T224-L227 VanDerWaalsContact O-CB 3.27Å; T224-L227 WeakPolarHBondContact O-CB 3.49Å; T224-L227 PolarHBondContact O-N 2.85Å; T224-A252 WeakPolarHBondContact CG2-O 3.3Å; T224-V253 HydrophobicContact CG2-CG2 4.43Å
225	P	98.8	Very high	98.8	Very high	110 Å²	110	48.4 Å²	48.4	71%	0.714	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	137.1	176.4	-26.9	35.8	0	0	0	112	G223 L227 C251	G223-P225 WeakPolarHBondContact O-CD 3.1Å; P225-L227 VanDerWaalsContact C-N 3.33Å; P225-C251 WeakPolarHBondContact O-CA 3.44Å
226	G	98.6	Very high	98.8	Very high	31 Å²	31	53.6 Å²	53.6	32%	0.32	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-10	-173.9	0	0	0	0	0	114.7	T224 F248 E249	T224-G226 PolarHBondContact O-N 3.42Å; G226-F248 WeakPolarHBondContact O-CA 3.28Å; G226-E249 WeakPolarHBondContact CA-O 3.44Å; G226-E249 PolarHBondContact O-N 3.29Å
227	L	98.9	Very high	98.8	Very high	22 Å²	22	54 Å²	54	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.9	169	175.8	62.2	0	0	0	110.6	Y201 V220 T224 P225 F229 V246 I247 F248	Y201-L227 HydrophobicContact CD2-CD2 4.25Å; Y201-L227 HydrophobicContact CE2-CD2 4.37Å; V220-L227 HydrophobicContact CG1-CD2 4.03Å; T224-L227 VanDerWaalsContact O-CB 3.27Å; T224-L227 WeakPolarHBondContact O-CB 3.49Å; T224-L227 PolarHBondContact O-N 2.85Å; P225-L227 VanDerWaalsContact C-N 3.33Å; L227-F229 HydrophobicContact CD1-CE1 4.4Å; L227-F229 HydrophobicContact CD1-CZ 4.38Å; L227-F229 HydrophobicContact CD2-CZ 4.1Å; L227-F229 HydrophobicContact CG-CZ 4.09Å; L227-V246 HydrophobicContact CD1-CG1 3.4Å; L227-V246 VanDerWaalsContact CD1-CG1 3.4Å; L227-I247 WeakPolarHBondContact CA-O 3.42Å; L227-F248 HydrophobicContact CD1-CD1 3.99Å; L227-F248 HydrophobicContact CD1-CE1 3.61Å; L227-F248 HydrophobicContact CD1-CZ 4.13Å
228	S	98.9	Very high	98.8	Very high	49 Å²	49	54.5 Å²	54.5	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	172.8	174.1	72.2	0	0	0	0	112.5	I247	S228-I247 PolarHBondContact N-O 3.04Å; S228-I247 PolarHBondContact O-N 3.38Å
229	F	98.9	Very high	98.8	Very high	55 Å²	55	55.1 Å²	55.1	24%	0.241	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.5	-173.6	-55.5	-75.8	0	0	0	111.3	Y201 K222 L227 A245 V246	Y201-F229 AromaticContact CE1-CE1 3.72Å; Y201-F229 HydrophobicContact CE1-CE1 3.72Å; Y201-F229 HydrophobicContact CE1-CZ 4.35Å; Y201-F229 HydrophobicContact CE2-CE1 4.07Å; Y201-F229 AromaticContact CE2-CZ 3.87Å; Y201-F229 HydrophobicContact CE2-CZ 3.87Å; Y201-F229 AromaticContact CZ-CE1 3.38Å; Y201-F229 AromaticContact CZ-CZ 3.57Å; Y201-F229 WeakPolarHBondContact OH-CE1 3.38Å; Y201-F229 VanDerWaalsContact OH-CZ 3.28Å; Y201-F229 WeakPolarHBondContact OH-CZ 3.29Å; K222-F229 HydrophobicContact CG-CE2 4.49Å; L227-F229 HydrophobicContact CD1-CE1 4.4Å; L227-F229 HydrophobicContact CD1-CZ 4.38Å; L227-F229 HydrophobicContact CD2-CZ 4.1Å; L227-F229 HydrophobicContact CG-CZ 4.09Å; F229-A245 WeakPolarHBondContact CA-O 3.4Å; F229-V246 HydrophobicContact CD1-CG1 4.43Å; F229-V246 HydrophobicContact CD1-CG2 4.03Å; F229-V246 HydrophobicContact CE1-CG1 4.13Å; F229-V246 HydrophobicContact CE1-CG2 4.09Å
230	G	98.6	Very high	98.8	Very high	19 Å²	19	55.2 Å²	55.2	20%	0.196	31%	0.307	C	S	.	.			trans	-70.8	-175.4	171.4	0	0	0	0	0	113.4	R244 A245	G230-R244 WeakPolarHBondContact O-CD 3.33Å; G230-R244 PolarHBondContact O-NH1 3.05Å; G230-A245 PolarHBondContact N-O 3.22Å
231	K	98.5	Very high	98.7	Very high	153 Å²	153	55.2 Å²	55.2	67%	0.665	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-63.4	159.3	170.4	69.3	178.8	-177.6	-179.4	0	111.1	E233 R244	K231-E233 WeakPolarHBondContact CE-OE2 3.46Å; K231-E233 PolarHBondContact O-N 3.04Å; K231-R244 WeakPolarHBondContact O-CG 3.18Å
232	K	98.6	Very high	98.7	Very high	65 Å²	65	53.4 Å²	53.4	28%	0.283	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-72.1	121.5	168.5	-163	177.5	81.1	179.8	0	109.5	E71 P242	E71-K232 PolarHBondContact O-NZ 3.43Å; E71-K232 WeakPolarHBondContact OE2-CE 3.46Å; E71-K232 IonicContact OE2-NZ 2.94Å; E71-K232 PolarHBondContact OE2-NZ 3.2Å; K232-P242 HydrophobicContact CD-CB 4.16Å; K232-P242 HydrophobicContact CG-CB 4.27Å
233	E	98.6	Very high	98.7	Very high	63 Å²	63	49.4 Å²	49.4	29%	0.294	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-74.3	138.4	179	-58.6	-56.4	164.1	0	0	111.7	K231 K235 T243	K231-E233 WeakPolarHBondContact CE-OE2 3.46Å; K231-E233 PolarHBondContact O-N 3.04Å; E233-K235 HydrophobicContact CB-CG 4.49Å; E233-T243 HydrophobicContact CB-CG2 4.45Å; E233-T243 HydrophobicContact CG-CG2 4.44Å; E233-T243 PolarHBondContact N-O 3.44Å
234	K	98.7	Very high	98.7	Very high	155 Å²	155	49.3 Å²	49.3	67%	0.674	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-85.6	124.4	172.4	-65.6	-59.4	-172	173	0	109.2	E71	E71-K234 WeakPolarHBondContact OE1-CD 3.48Å; E71-K234 IonicContact OE1-NZ 2.67Å; E71-K234 PolarHBondContact OE1-NZ 3.29Å; E71-K234 IonicContact OE2-NZ 3.91Å; E71-K234 PolarHBondContact OE2-NZ 2.91Å
235	K	98.8	Very high	98.7	Very high	61 Å²	61	49.2 Å²	49.2	27%	0.265	26%	0.264	S	S	.	.			trans	-126.2	164.1	-171.8	-55.9	-171.3	-56.8	-74.3	0	111.2	E233 G237 W238 N239 Q241 T243	E233-K235 HydrophobicContact CB-CG 4.49Å; K235-G237 WeakPolarHBondContact CB-O 3.49Å; K235-G237 WeakPolarHBondContact CE-O 3.47Å; K235-W238 WeakPolarHBondContact CE-O 3.44Å; K235-W238 PolarHBondContact NZ-O 3.13Å; K235-N239 PolarHBondContact O-OD1 2.98Å; K235-Q241 PolarHBondContact NZ-O 3.25Å; K235-T243 HydrophobicContact CD-CG2 4.21Å; K235-T243 WeakPolarHBondContact CD-OG1 3.41Å; K235-T243 WeakPolarHBondContact CE-OG1 3.29Å; K235-T243 PolarHBondContact NZ-OG1 3Å
236	V	98.8	Very high	98.7	Very high	108 Å²	108	44 Å²	44	66%	0.655	23%	0.23	S	C	*	.	S	Bend	trans	-71.5	-46.4	176.9	176	0	0	0	0	111.1	R389	V236-R389 HydrophobicContact CG1-CB 4.23Å; V236-R389 HydrophobicContact CG1-CG 3.99Å; V236-R389 WeakPolarHBondContact O-CD 3.35Å; V236-R389 PolarHBondContact O-NH1 2.92Å
237	G	98.8	Very high	98.8	Very high	8 Å²	8	44.7 Å²	44.7	8%	0.082	23%	0.226	C	C	.	.	S	Bend	trans	-139.2	-167.5	175.3	0	0	0	0	0	109.8	K235 N239 D390	K235-G237 WeakPolarHBondContact CB-O 3.49Å; K235-G237 WeakPolarHBondContact CE-O 3.47Å; G237-N239 VanDerWaalsContact C-N 3.25Å; G237-N239 PolarHBondContact O-N 2.89Å; G237-D390 WeakPolarHBondContact CA-OD1 3.48Å
238	W	98.8	Very high	98.8	Very high	11 Å²	11	43.8 Å²	43.8	4%	0.042	22%	0.221	C	C	.	.			trans	57.4	40.3	-172.9	-78.7	24	0	0	0	112.6	S118 A121 I125 K235 Q241 I280 D390 V393 H394 L397	S118-W238 VanDerWaalsContact OG-C 3.27Å; S118-W238 WeakPolarHBondContact OG-CA 3.49Å; A121-W238 HydrophobicContact CB-CH2 3.74Å; A121-W238 HydrophobicContact CB-CZ2 3.21Å; I125-W238 HydrophobicContact CD1-CH2 4.28Å; I125-W238 HydrophobicContact CD1-CZ3 4.07Å; K235-W238 WeakPolarHBondContact CE-O 3.44Å; K235-W238 PolarHBondContact NZ-O 3.13Å; W238-Q241 HydrophobicContact CB-CG 4.02Å; W238-Q241 HydrophobicContact CE3-CG 4.43Å; W238-Q241 VanDerWaalsContact O-CG 3.23Å; W238-Q241 WeakPolarHBondContact O-CG 3.46Å; W238-I280 HydrophobicContact CH2-CD1 3.87Å; W238-I280 HydrophobicContact CZ2-CD1 3.55Å; W238-D390 PolarHBondContact N-OD1 3.47Å; W238-D390 PolarHBondContact NE1-O 2.92Å; W238-V393 HydrophobicContact CD2-CG1 3.59Å; W238-V393 VanDerWaalsContact CE2-CG1 3.42Å; W238-V393 HydrophobicContact CE3-CG1 4.24Å; W238-V393 HydrophobicContact CG-CG1 3.8Å; W238-V393 HydrophobicContact CZ2-CG1 3.97Å; W238-H394 AromaticContact CE2-CD2 3.77Å; W238-H394 AromaticContact CE2-NE2 3.56Å; W238-H394 AromaticContact CZ2-CD2 3.48Å; W238-H394 VanDerWaalsContact CZ2-CD2 3.48Å; W238-H394 WeakPolarHBondContact CZ2-CD2 3.44Å; W238-H394 AromaticContact CZ2-NE2 3.43Å; W238-H394 WeakPolarHBondContact CZ2-NE2 3.42Å; W238-H394 AromaticContact NE1-CD2 3.61Å; W238-H394 AromaticContact NE1-NE2 3.12Å; W238-H394 PolarHBondContact NE1-NE2 3.43Å; W238-H394 VanDerWaalsContact NE1-NE2 3.12Å; W238-L397 HydrophobicContact CD2-CD1 4.47Å; W238-L397 HydrophobicContact CE3-CD1 3.87Å; W238-L397 HydrophobicContact CH2-CD1 3.28Å; W238-L397 HydrophobicContact CZ2-CD1 3.91Å; W238-L397 HydrophobicContact CZ3-CD1 3.24Å
239	N	98.9	Very high	98.8	Very high	14 Å²	14	47.8 Å²	47.8	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.1	-172	-71.3	-34.5	0	0	0	113.3	D68 E71 K235 G237 Q241 R389	D68-N239 WeakPolarHBondContact O-CB 3.47Å; D68-N239 WeakPolarHBondContact OD1-CB 3.44Å; D68-N239 PolarHBondContact OD1-ND2 2.85Å; E71-N239 CarbonylContact C-O 3.52Å; E71-N239 VanDerWaalsContact CA-O 3.24Å; E71-N239 WeakPolarHBondContact CA-O 3.33Å; E71-N239 HydrophobicContact CG-CB 4.18Å; K235-N239 PolarHBondContact O-OD1 2.98Å; G237-N239 VanDerWaalsContact C-N 3.25Å; G237-N239 PolarHBondContact O-N 2.89Å; N239-Q241 PolarHBondContact O-N 3.16Å; N239-R389 PolarHBondContact ND2-NH1 3.48Å
240	S	98.8	Very high	98.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.3	174.8	72	0	0	0	0	113.4	L72 F73 S118 T119	L72-S240 CarbonylContact O-C 3.56Å; L72-S240 VanDerWaalsContact O-CA 3.31Å; L72-S240 WeakPolarHBondContact O-CA 3.5Å; L72-S240 VanDerWaalsContact O-O 3.09Å; F73-S240 VanDerWaalsContact CA-O 3.31Å; F73-S240 WeakPolarHBondContact CA-O 3.35Å; F73-S240 WeakPolarHBondContact CD2-O 3.45Å; S118-S240 WeakPolarHBondContact CB-OG 3.36Å; S118-S240 PolarHBondContact OG-N 3.37Å; S118-S240 PolarHBondContact OG-OG 3.33Å; T119-S240 PolarHBondContact N-OG 3.19Å; T119-S240 PolarHBondContact OG1-OG 3.3Å
241	Q	98.5	Very high	98.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-118.8	125.3	176.9	51.9	177.4	-75.1	0	0	110.2	S118 Y122 S193 K235 W238 N239 T243	S118-Q241 PolarHBondContact O-NE2 3.11Å; Y122-Q241 HydrophobicContact CD2-CB 4.31Å; Y122-Q241 HydrophobicContact CG-CB 4.37Å; S193-Q241 PolarHBondContact OG-OE1 3.27Å; K235-Q241 PolarHBondContact NZ-O 3.25Å; W238-Q241 HydrophobicContact CB-CG 4.02Å; W238-Q241 HydrophobicContact CE3-CG 4.43Å; W238-Q241 VanDerWaalsContact O-CG 3.23Å; W238-Q241 WeakPolarHBondContact O-CG 3.46Å; N239-Q241 PolarHBondContact O-N 3.16Å; Q241-T243 PolarHBondContact O-N 3.21Å
242	P	98.6	Very high	98.8	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.065	23%	0.227	C	C	.	.			trans	-67.4	136.7	176	22.1	-23.4	0	0	0	109.2	F73 S193 G194 E197 K232	F73-P242 HydrophobicContact CD2-CG 4.49Å; S193-P242 CarbonylContact C-O 3.58Å; G194-P242 PolarHBondContact N-O 3.29Å; E197-P242 HydrophobicContact CB-CG 4.24Å; E197-P242 HydrophobicContact CG-CB 4.48Å; E197-P242 HydrophobicContact CG-CG 3.42Å; E197-P242 VanDerWaalsContact CG-CG 3.42Å; K232-P242 HydrophobicContact CD-CB 4.16Å; K232-P242 HydrophobicContact CG-CB 4.27Å
243	T	98.9	Very high	98.8	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124	174.7	-58.3	0	0	0	0	107.2	F191 I192 E233 K235 Q241	F191-T243 HydrophobicContact CB-CG2 4.2Å; F191-T243 HydrophobicContact CD1-CG2 4.46Å; I192-T243 WeakPolarHBondContact O-CA 3.4Å; E233-T243 HydrophobicContact CB-CG2 4.45Å; E233-T243 HydrophobicContact CG-CG2 4.44Å; E233-T243 PolarHBondContact N-O 3.44Å; K235-T243 HydrophobicContact CD-CG2 4.21Å; K235-T243 WeakPolarHBondContact CD-OG1 3.41Å; K235-T243 WeakPolarHBondContact CE-OG1 3.29Å; K235-T243 PolarHBondContact NZ-OG1 3Å; Q241-T243 PolarHBondContact O-N 3.21Å
244	R	98.8	Very high	98.8	Very high	65 Å²	65	41 Å²	41	25%	0.245	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.2	-177.7	-58.6	-170.5	179.1	-137.8	10.1	110.5	I192 G195 G230 K231	I192-R244 WeakPolarHBondContact CB-O 3.43Å; I192-R244 PolarHBondContact N-O 2.99Å; I192-R244 PolarHBondContact O-N 3.28Å; G195-R244 WeakPolarHBondContact O-CD 3.45Å; G195-R244 WeakPolarHBondContact O-CG 3.49Å; G195-R244 PolarHBondContact O-NE 3.45Å; G230-R244 WeakPolarHBondContact O-CD 3.33Å; G230-R244 PolarHBondContact O-NH1 3.05Å; K231-R244 WeakPolarHBondContact O-CG 3.18Å
245	A	98.8	Very high	98.8	Very high	27 Å²	27	35.3 Å²	35.3	22%	0.223	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.4	157.2	0	0	0	0	0	109.9	K189 F229 G230 I247	K189-A245 CarbonylContact O-C 3.55Å; K189-A245 WeakPolarHBondContact O-CA 3.4Å; K189-A245 WeakPolarHBondContact O-CB 3.25Å; F229-A245 WeakPolarHBondContact CA-O 3.4Å; G230-A245 PolarHBondContact N-O 3.22Å; A245-I247 HydrophobicContact CB-CG1 4.4Å
246	V	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	169.9	-178.1	0	0	0	0	107.3	S188 K189 I192 Y201 L227 F229 F248	S188-V246 CarbonylContact C-O 3.48Å; S188-V246 WeakPolarHBondContact CA-O 3.41Å; K189-V246 HydrophobicContact CB-CB 4.27Å; K189-V246 PolarHBondContact N-O 3.18Å; K189-V246 PolarHBondContact O-N 3.18Å; I192-V246 HydrophobicContact CB-CG2 3.72Å; I192-V246 HydrophobicContact CG1-CB 4.27Å; I192-V246 HydrophobicContact CG1-CG2 3.66Å; I192-V246 HydrophobicContact CG2-CG2 3.84Å; Y201-V246 HydrophobicContact CD1-CG1 4.41Å; Y201-V246 HydrophobicContact CD1-CG2 4.26Å; Y201-V246 HydrophobicContact CE1-CG2 4.03Å; L227-V246 HydrophobicContact CD1-CG1 3.4Å; L227-V246 VanDerWaalsContact CD1-CG1 3.4Å; F229-V246 HydrophobicContact CD1-CG1 4.43Å; F229-V246 HydrophobicContact CD1-CG2 4.03Å; F229-V246 HydrophobicContact CE1-CG1 4.13Å; F229-V246 HydrophobicContact CE1-CG2 4.09Å; V246-F248 HydrophobicContact CB-CE2 4.45Å; V246-F248 HydrophobicContact CG1-CE1 4.28Å; V246-F248 HydrophobicContact CG1-CE2 3.85Å; V246-F248 HydrophobicContact CG1-CZ 3.58Å
247	I	98.9	Very high	98.7	Very high	47 Å²	47	31.3 Å²	31.3	24%	0.241	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.2	-167.1	-58	163.5	0	0	0	108.5	L227 S228 A245 E249	L227-I247 WeakPolarHBondContact CA-O 3.42Å; S228-I247 PolarHBondContact N-O 3.04Å; S228-I247 PolarHBondContact O-N 3.38Å; A245-I247 HydrophobicContact CB-CG1 4.4Å; I247-E249 HydrophobicContact CG2-CG 4.17Å
248	F	98.9	Very high	98.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.9	178.6	-52.4	-89.5	0	0	0	108.5	T174 L185 N186 G187 K189 V203 V220 G226 L227 V246 C251	T174-F248 HydrophobicContact CG2-CD2 4.32Å; L185-F248 HydrophobicContact CB-CB 4.03Å; L185-F248 HydrophobicContact CB-CD1 4.24Å; L185-F248 HydrophobicContact CB-CG 4.27Å; L185-F248 HydrophobicContact CD2-CD1 4.12Å; L185-F248 HydrophobicContact CD2-CE1 4.25Å; N186-F248 WeakPolarHBondContact CA-O 3.39Å; G187-F248 PolarHBondContact N-O 3.17Å; G187-F248 PolarHBondContact O-N 3.16Å; K189-F248 HydrophobicContact CG-CE2 3.9Å; V203-F248 HydrophobicContact CG1-CE2 4.23Å; V203-F248 HydrophobicContact CG1-CZ 4.02Å; V203-F248 HydrophobicContact CG2-CE1 4.18Å; V203-F248 HydrophobicContact CG2-CZ 3.67Å; V220-F248 HydrophobicContact CB-CE1 4.37Å; V220-F248 HydrophobicContact CG1-CE1 4.22Å; V220-F248 HydrophobicContact CG2-CE1 4.11Å; G226-F248 WeakPolarHBondContact O-CA 3.28Å; L227-F248 HydrophobicContact CD1-CD1 3.99Å; L227-F248 HydrophobicContact CD1-CE1 3.61Å; L227-F248 HydrophobicContact CD1-CZ 4.13Å; V246-F248 HydrophobicContact CB-CE2 4.45Å; V246-F248 HydrophobicContact CG1-CE1 4.28Å; V246-F248 HydrophobicContact CG1-CE2 3.85Å; V246-F248 HydrophobicContact CG1-CZ 3.58Å; F248-C251 HydrophobicContact CB-CB 4.06Å; F248-C251 HydrophobicContact CD1-CB 4.12Å
249	E	98.9	Very high	98.7	Very high	133 Å²	133	33.1 Å²	33.1	62%	0.621	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	106	176	-70.6	177.4	-171.2	0	0	108.3	G226 I247 C251	G226-E249 WeakPolarHBondContact CA-O 3.44Å; G226-E249 PolarHBondContact O-N 3.29Å; I247-E249 HydrophobicContact CG2-CG 4.17Å; E249-C251 PolarHBondContact O-N 3.04Å; E249-C251 VanDerWaalsContact O-N 3.07Å
250	D	98.8	Very high	98.7	Very high	116 Å²	116	33.3 Å²	33.3	62%	0.62	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	45.9	39.5	-173.4	-64.6	-42.5	0	0	0	113.6	I184 L185 N186 A252	I184-D250 HydrophobicContact CG2-CB 4.13Å; L185-D250 PolarHBondContact O-N 3.43Å; N186-D250 PolarHBondContact ND2-OD1 3.47Å; N186-D250 PolarHBondContact OD1-N 2.9Å; D250-A252 PolarHBondContact O-N 3.4Å; D250-A252 VanDerWaalsContact O-N 3.09Å
251	C	98.8	Very high	98.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	102.2	-175.4	178.5	0	0	0	0	110.2	L185 P225 F248 E249	L185-C251 HydrophobicContact CB-CB 4.11Å; L185-C251 PolarHBondContact N-O 3.03Å; L185-C251 PolarHBondContact O-N 3.41Å; P225-C251 WeakPolarHBondContact O-CA 3.44Å; F248-C251 HydrophobicContact CB-CB 4.06Å; F248-C251 HydrophobicContact CD1-CB 4.12Å; E249-C251 PolarHBondContact O-N 3.04Å; E249-C251 VanDerWaalsContact O-N 3.07Å
252	A	98.8	Very high	98.7	Very high	41 Å²	41	42.7 Å²	42.7	34%	0.339	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.7	179.9	0	0	0	0	0	111.5	Y183 I184 T224 D250	Y183-A252 CarbonylContact O-C 3.6Å; Y183-A252 WeakPolarHBondContact O-CA 3.39Å; I184-A252 HydrophobicContact CD1-CB 3.65Å; T224-A252 WeakPolarHBondContact CG2-O 3.3Å; D250-A252 PolarHBondContact O-N 3.4Å; D250-A252 VanDerWaalsContact O-N 3.09Å
253	V	98.8	Very high	98.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.1	-177.8	-176.5	0	0	0	0	109.6	H182 Y183 L185 V218 V220 T224 N257	H182-V253 CarbonylContact C-O 3.03Å; H182-V253 VanDerWaalsContact CA-O 3.26Å; H182-V253 WeakPolarHBondContact CA-O 3.22Å; Y183-V253 PolarHBondContact N-O 3.22Å; Y183-V253 PolarHBondContact O-N 2.86Å; L185-V253 HydrophobicContact CD1-CB 4.18Å; L185-V253 HydrophobicContact CD1-CG2 3.94Å; L185-V253 HydrophobicContact CD2-CG2 4.46Å; V218-V253 HydrophobicContact CG1-CB 4.39Å; V218-V253 HydrophobicContact CG1-CG1 3.67Å; V220-V253 HydrophobicContact CG1-CG2 4.07Å; V220-V253 HydrophobicContact CG2-CG1 4.49Å; V220-V253 HydrophobicContact CG2-CG2 3.96Å; T224-V253 HydrophobicContact CG2-CG2 4.43Å; V253-N257 HydrophobicContact CG1-CB 3.88Å
254	P	98.6	Very high	98.7	Very high	54 Å²	54	45.6 Å²	45.6	35%	0.351	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	142.1	179.7	-26.6	35.2	0	0	0	112.7	A256 N257	P254-A256 PolarHBondContact O-N 3.23Å; P254-A256 VanDerWaalsContact O-N 3.15Å; P254-N257 WeakPolarHBondContact O-CB 3.19Å; P254-N257 PolarHBondContact O-N 2.89Å
255	L	98.3	Very high	98.6	Very high	37 Å²	37	42.5 Å²	42.5	19%	0.194	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.5	-29.9	173.5	-68.4	176.1	0	0	0	112.3	K178 D181 Y183 N257 R258	K178-L255 HydrophobicContact CD-CD1 4.28Å; K178-L255 HydrophobicContact CD-CD2 4.24Å; K178-L255 HydrophobicContact CG-CD1 4.41Å; K178-L255 HydrophobicContact CG-CD2 4.13Å; D181-L255 WeakPolarHBondContact O-CG 3.47Å; D181-L255 PolarHBondContact O-N 3.41Å; Y183-L255 HydrophobicContact CD1-CD2 4.01Å; Y183-L255 HydrophobicContact CD2-CD2 3.55Å; Y183-L255 HydrophobicContact CE1-CD2 3.78Å; Y183-L255 HydrophobicContact CE2-CD2 3.28Å; Y183-L255 HydrophobicContact CG-CD2 3.87Å; L255-N257 PolarHBondContact O-N 2.98Å; L255-N257 VanDerWaalsContact O-N 3.14Å; L255-R258 WeakPolarHBondContact O-CB 3.38Å; L255-R258 PolarHBondContact O-N 3.18Å
256	A	98.3	Very high	98.6	Very high	72 Å²	72	43.7 Å²	43.7	60%	0.595	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63.1	-12.2	176.1	0	0	0	0	0	113.9	Q141 P254	Q141-A256 PolarHBondContact NE2-O 3.5Å; P254-A256 PolarHBondContact O-N 3.23Å; P254-A256 VanDerWaalsContact O-N 3.15Å
257	N	98.7	Very high	98.6	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.064	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-89.8	-0.5	174.1	-75.6	24.1	0	0	0	113.4	V218 V219 V253 P254 L255 I259	V218-N257 HydrophobicContact CG1-CB 4.39Å; V219-N257 HydrophobicContact CB-CB 4.39Å; V219-N257 PolarHBondContact N-O 3.25Å; V219-N257 VanDerWaalsContact O-CB 3.24Å; V219-N257 WeakPolarHBondContact O-CB 3.38Å; V219-N257 PolarHBondContact O-ND2 3.14Å; V253-N257 HydrophobicContact CG1-CB 3.88Å; P254-N257 WeakPolarHBondContact O-CB 3.19Å; P254-N257 PolarHBondContact O-N 2.89Å; L255-N257 PolarHBondContact O-N 2.98Å; L255-N257 VanDerWaalsContact O-N 3.14Å; N257-I259 PolarHBondContact O-N 3.42Å
258	R	98.8	Very high	98.6	Very high	58 Å²	58	45.6 Å²	45.6	22%	0.219	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.6	174.7	-170.7	-173.5	71.1	-144.2	3.5	110.6	Q141 Y183 C217 V218 L255 G260 D261 E262	Q141-R258 PolarHBondContact NE2-O 3.33Å; Y183-R258 HydrophobicContact CE2-CB 4.16Å; Y183-R258 HydrophobicContact CE2-CG 4.42Å; Y183-R258 WeakPolarHBondContact OH-CD 3.06Å; Y183-R258 PolarHBondContact OH-NH1 3.21Å; Y183-R258 VanDerWaalsContact OH-NH1 3.16Å; C217-R258 CarbonylContact O-C 3.55Å; C217-R258 WeakPolarHBondContact O-CA 3.2Å; C217-R258 WeakPolarHBondContact O-CG 3.31Å; V218-R258 HydrophobicContact CG2-CB 4.5Å; V218-R258 HydrophobicContact CG2-CG 4.41Å; L255-R258 WeakPolarHBondContact O-CB 3.38Å; L255-R258 PolarHBondContact O-N 3.18Å; R258-G260 PolarHBondContact NE-O 3.33Å; R258-D261 IonicContact NH2-OD1 2.77Å; R258-E262 IonicContact NH1-OE1 2.71Å
259	I	98.8	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.2	175.8	-54	-55.3	0	0	0	108.9	I133 F136 Q141 C217 V219 N257 I268	I133-I259 HydrophobicContact CG1-CD1 4.35Å; I133-I259 HydrophobicContact CG1-CG1 4.48Å; I133-I259 HydrophobicContact CG2-CD1 4.19Å; F136-I259 HydrophobicContact CB-CG2 3.61Å; Q141-I259 HydrophobicContact CB-CD1 4.28Å; Q141-I259 HydrophobicContact CG-CD1 4.23Å; C217-I259 HydrophobicContact CB-CB 4.16Å; C217-I259 PolarHBondContact O-N 2.99Å; V219-I259 HydrophobicContact CG2-CD1 3.84Å; V219-I259 HydrophobicContact CG2-CG1 3.76Å; N257-I259 PolarHBondContact O-N 3.42Å; I259-I268 HydrophobicContact CG2-CD1 4.26Å; I259-I268 WeakPolarHBondContact O-CD1 3.38Å
260	G	98.4	Very high	98.3	Very high	17 Å²	17	41.8 Å²	41.8	18%	0.175	24%	0.241	C	C	.	.	S	Bend	trans	68.4	-162.8	-172.3	0	0	0	0	0	113.9	F136 R258	F136-G260 PolarHBondContact O-N 3.32Å; R258-G260 PolarHBondContact NE-O 3.33Å
261	D	98.4	Very high	98.3	Very high	107 Å²	107	41.2 Å²	41.2	57%	0.572	23%	0.233	S	C	*	.	S	Bend	trans	-83.6	160.6	-178.9	-69.9	-34.9	0	0	0	113.2	R258 G263 Q264	R258-D261 IonicContact NH2-OD1 2.77Å; D261-G263 PolarHBondContact O-N 2.79Å; D261-Q264 VanDerWaalsContact O-CB 3.25Å; D261-Q264 WeakPolarHBondContact O-CB 3.36Å; D261-Q264 PolarHBondContact O-N 3.26Å; D261-Q264 VanDerWaalsContact O-N 3.14Å
262	E	98.4	Very high	98.2	Very high	93 Å²	93	41.3 Å²	41.3	44%	0.435	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	132.8	169.4	-86.1	178.3	178.2	0	0	110.5	Y183 S216 R258 Q264	Y183-E262 VanDerWaalsContact OH-CD 3.24Å; Y183-E262 WeakPolarHBondContact OH-CG 3.41Å; Y183-E262 PolarHBondContact OH-OE1 3.45Å; S216-E262 WeakPolarHBondContact OG-CA 3.05Å; R258-E262 IonicContact NH1-OE1 2.71Å; E262-Q264 VanDerWaalsContact C-N 3.3Å; E262-Q264 PolarHBondContact O-N 3.45Å
263	G	98.2	Very high	98	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-3.5	-178.4	0	0	0	0	0	114.9	K213 I215 S216 D261	K213-G263 WeakPolarHBondContact O-CA 3.36Å; I215-G263 CarbonylContact O-C 3.54Å; I215-G263 WeakPolarHBondContact O-CA 3.32Å; S216-G263 PolarHBondContact OG-N 2.93Å; D261-G263 PolarHBondContact O-N 2.79Å
264	Q	98.6	Very high	97.8	Very high	53 Å²	53	41.1 Å²	41.1	25%	0.248	23%	0.228	C	C	.	.			trans	-85.6	-8.3	177.9	-162.1	-178.7	-25.1	0	0	113.4	I215 D261 E262 F266 L267 I268	I215-Q264 PolarHBondContact O-N 3.44Å; D261-Q264 VanDerWaalsContact O-CB 3.25Å; D261-Q264 WeakPolarHBondContact O-CB 3.36Å; D261-Q264 PolarHBondContact O-N 3.26Å; D261-Q264 VanDerWaalsContact O-N 3.14Å; E262-Q264 VanDerWaalsContact C-N 3.3Å; E262-Q264 PolarHBondContact O-N 3.45Å; Q264-F266 PolarHBondContact O-N 2.93Å; Q264-L267 HydrophobicContact CG-CB 4.49Å; Q264-L267 HydrophobicContact CG-CD2 4.01Å; Q264-L267 WeakPolarHBondContact O-CB 3.37Å; Q264-L267 PolarHBondContact O-N 2.93Å; Q264-L267 VanDerWaalsContact O-N 3.1Å; Q264-I268 HydrophobicContact CG-CD1 4.34Å; Q264-I268 HydrophobicContact CG-CG1 4.32Å; Q264-I268 PolarHBondContact O-N 2.84Å; Q264-I268 VanDerWaalsContact O-N 3.09Å
265	G	98.7	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.2	-41.4	-172.3	0	0	0	0	0	113.9	M204 I215 L267 I268 A269	M204-G265 WeakPolarHBondContact CE-O 3.28Å; I215-G265 WeakPolarHBondContact O-CA 3.45Å; I215-G265 PolarHBondContact O-N 2.78Å; G265-L267 VanDerWaalsContact C-N 3.32Å; G265-L267 PolarHBondContact O-N 3.06Å; G265-I268 PolarHBondContact O-N 2.96Å; G265-A269 WeakPolarHBondContact O-CB 3.26Å; G265-A269 PolarHBondContact O-N 2.94Å
266	F	98.2	Very high	97.7	Very high	51 Å²	51	36.9 Å²	36.9	22%	0.224	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-33	178.6	-162.1	-100.6	0	0	0	112.7	A169 A170 P212 I215 Q264 A269 V270	A169-F266 HydrophobicContact CB-CE2 4.18Å; A170-F266 HydrophobicContact CB-CD2 4.23Å; A170-F266 HydrophobicContact CB-CE2 3.67Å; A170-F266 HydrophobicContact CB-CZ 3.9Å; P212-F266 HydrophobicContact CB-CB 4.01Å; P212-F266 HydrophobicContact CB-CD1 3.59Å; P212-F266 HydrophobicContact CB-CE1 4.17Å; P212-F266 HydrophobicContact CB-CG 3.8Å; P212-F266 HydrophobicContact CG-CD1 4.13Å; P212-F266 HydrophobicContact CG-CE1 4.2Å; P212-F266 WeakPolarHBondContact O-CB 3.44Å; I215-F266 HydrophobicContact CB-CB 4.3Å; I215-F266 HydrophobicContact CD1-CB 4.29Å; I215-F266 HydrophobicContact CD1-CD2 3.77Å; I215-F266 HydrophobicContact CD1-CG 4.4Å; Q264-F266 PolarHBondContact O-N 2.93Å; F266-A269 PolarHBondContact O-N 2.94Å; F266-V270 HydrophobicContact CD1-CG2 3.88Å; F266-V270 HydrophobicContact CE1-CG2 3.64Å; F266-V270 HydrophobicContact CZ-CG2 4.2Å; F266-V270 VanDerWaalsContact O-CG2 3.3Å; F266-V270 WeakPolarHBondContact O-CG2 3.49Å; F266-V270 PolarHBondContact O-N 3.11Å
267	L	98.3	Very high	97.7	Very high	87 Å²	87	34.1 Å²	34.1	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-65.8	-44.3	173.8	176.8	124.7	0	0	0	110.9	F136 Q264 G265 A269 V270 K271	F136-L267 HydrophobicContact CE1-CD2 4.47Å; Q264-L267 HydrophobicContact CG-CB 4.49Å; Q264-L267 HydrophobicContact CG-CD2 4.01Å; Q264-L267 WeakPolarHBondContact O-CB 3.37Å; Q264-L267 PolarHBondContact O-N 2.93Å; Q264-L267 VanDerWaalsContact O-N 3.1Å; G265-L267 VanDerWaalsContact C-N 3.32Å; G265-L267 PolarHBondContact O-N 3.06Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 2.78Å; L267-V270 PolarHBondContact O-N 3.1Å; L267-K271 HydrophobicContact CD2-CD 4.37Å; L267-K271 PolarHBondContact O-N 2.73Å
268	I	98.7	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.2	-64.6	169	0	0	0	110.1	M132 F136 M204 C217 I259 Q264 G265 K271 G272	M132-I268 HydrophobicContact CB-CG2 4.14Å; M132-I268 HydrophobicContact CG-CG2 3.87Å; M132-I268 HydrophobicContact SD-CG2 4.02Å; F136-I268 HydrophobicContact CB-CD1 4.03Å; F136-I268 HydrophobicContact CB-CG1 4.27Å; F136-I268 HydrophobicContact CD1-CG1 4.02Å; F136-I268 HydrophobicContact CD2-CB 4.4Å; F136-I268 HydrophobicContact CD2-CG1 3.96Å; F136-I268 HydrophobicContact CD2-CG2 3.85Å; F136-I268 HydrophobicContact CE1-CG1 4.37Å; F136-I268 HydrophobicContact CE2-CG1 4.32Å; F136-I268 HydrophobicContact CE2-CG2 4.13Å; F136-I268 HydrophobicContact CG-CD1 4.13Å; F136-I268 HydrophobicContact CG-CG1 3.81Å; F136-I268 HydrophobicContact CG-CG2 4.49Å; M204-I268 HydrophobicContact CE-CB 4.22Å; M204-I268 HydrophobicContact CE-CG2 3.98Å; C217-I268 HydrophobicContact CB-CD1 3.9Å; I259-I268 HydrophobicContact CG2-CD1 4.26Å; I259-I268 WeakPolarHBondContact O-CD1 3.38Å; Q264-I268 HydrophobicContact CG-CD1 4.34Å; Q264-I268 HydrophobicContact CG-CG1 4.32Å; Q264-I268 PolarHBondContact O-N 2.84Å; Q264-I268 VanDerWaalsContact O-N 3.09Å; G265-I268 PolarHBondContact O-N 2.96Å; I268-K271 PolarHBondContact O-N 2.83Å; I268-G272 PolarHBondContact O-N 2.81Å
269	A	97.9	Very high	97.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-56.3	-52.4	175.8	0	0	0	0	0	111.9	Y158 M204 G265 F266 L267 K271 G272 L273	Y158-A269 WeakPolarHBondContact OH-CB 3.48Å; M204-A269 HydrophobicContact CE-CB 3.97Å; M204-A269 HydrophobicContact CG-CB 4.45Å; M204-A269 HydrophobicContact SD-CB 4.3Å; G265-A269 WeakPolarHBondContact O-CB 3.26Å; G265-A269 PolarHBondContact O-N 2.94Å; F266-A269 PolarHBondContact O-N 2.94Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 2.78Å; A269-K271 PolarHBondContact O-N 3.32Å; A269-G272 PolarHBondContact O-N 3.21Å; A269-L273 VanDerWaalsContact O-CG 3.32Å; A269-L273 WeakPolarHBondContact O-CG 3.3Å; A269-L273 PolarHBondContact O-N 2.88Å
270	V	95	Very high	97.7	Very high	54 Å²	54	31.2 Å²	31.2	33%	0.327	17%	0.165	S	C	.	.	H	α-helix	trans	-61.6	-41.8	-179.3	169.9	0	0	0	0	112	F266 L267 L273 N274	F266-V270 HydrophobicContact CD1-CG2 3.88Å; F266-V270 HydrophobicContact CE1-CG2 3.64Å; F266-V270 HydrophobicContact CZ-CG2 4.2Å; F266-V270 VanDerWaalsContact O-CG2 3.3Å; F266-V270 WeakPolarHBondContact O-CG2 3.49Å; F266-V270 PolarHBondContact O-N 3.11Å; L267-V270 PolarHBondContact O-N 3.1Å; V270-L273 PolarHBondContact O-N 3.41Å; V270-N274 PolarHBondContact O-N 2.91Å
271	K	97.2	Very high	97.8	Very high	104 Å²	104	30.4 Å²	30.4	45%	0.452	16%	0.157	S	C	.	.	H	α-helix	trans	-65.2	-39.2	176.4	-73	-171	166.1	-166.6	0	111.8	W131 F136 L267 I268 A269 N274	W131-K271 HydrophobicContact CH2-CB 3.89Å; F136-K271 HydrophobicContact CE1-CD 4.1Å; F136-K271 HydrophobicContact CZ-CB 4.28Å; F136-K271 HydrophobicContact CZ-CD 3.58Å; L267-K271 HydrophobicContact CD2-CD 4.37Å; L267-K271 PolarHBondContact O-N 2.73Å; I268-K271 PolarHBondContact O-N 2.83Å; A269-K271 PolarHBondContact O-N 3.32Å; K271-N274 PolarHBondContact O-N 3.37Å
272	G	96.8	Very high	97.8	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-44.4	173.4	0	0	0	0	0	113	W131 I268 A269 N274 G275 G276	W131-G272 VanDerWaalsContact CZ3-CA 3.5Å; I268-G272 PolarHBondContact O-N 2.81Å; A269-G272 PolarHBondContact O-N 3.21Å; G272-N274 PolarHBondContact O-N 3.31Å; G272-G275 PolarHBondContact O-N 3.05Å; G272-G275 VanDerWaalsContact O-N 3.13Å; G272-G276 PolarHBondContact O-N 3.27Å
273	L	94.8	Very high	97.8	Very high	27 Å²	27	20.9 Å²	20.9	14%	0.141	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-29	178.5	-71.1	173.1	0	0	0	113	A269 V270 G276 R277 E398	A269-L273 VanDerWaalsContact O-CG 3.32Å; A269-L273 WeakPolarHBondContact O-CG 3.3Å; A269-L273 PolarHBondContact O-N 2.88Å; V270-L273 PolarHBondContact O-N 3.41Å; L273-G276 PolarHBondContact O-N 2.86Å; L273-R277 VanDerWaalsContact O-CB 3.28Å; L273-R277 WeakPolarHBondContact O-CB 3.4Å; L273-R277 VanDerWaalsContact O-CD 3.3Å; L273-R277 WeakPolarHBondContact O-CD 3.37Å; L273-R277 WeakPolarHBondContact O-CG 3.41Å; L273-R277 PolarHBondContact O-N 2.91Å; L273-E398 WeakPolarHBondContact CD2-OE2 3.43Å
274	N	95.6	Very high	97.9	Very high	12 Å²	12	19.8 Å²	19.8	6%	0.064	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-44.8	176	-67.5	-30.5	0	0	0	111.8	V270 K271 G272 R277 I278 L340	V270-N274 PolarHBondContact O-N 2.91Å; K271-N274 PolarHBondContact O-N 3.37Å; G272-N274 PolarHBondContact O-N 3.31Å; N274-R277 PolarHBondContact OD1-NH1 3Å; N274-R277 VanDerWaalsContact OD1-NH1 3.15Å; N274-I278 PolarHBondContact O-N 3.16Å; N274-L340 HydrophobicContact CB-CD1 4.15Å; N274-L340 HydrophobicContact CB-CD2 4.18Å
275	G	96.7	Very high	97.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-68.5	-42.4	172.6	0	0	0	0	0	112.2	G272 R277 I278 N279	G272-G275 PolarHBondContact O-N 3.05Å; G272-G275 VanDerWaalsContact O-N 3.13Å; G275-R277 VanDerWaalsContact C-N 3.32Å; G275-R277 PolarHBondContact O-N 3.21Å; G275-I278 PolarHBondContact O-N 2.84Å; G275-I278 VanDerWaalsContact O-N 3.16Å; G275-N279 VanDerWaalsContact O-CG 3.24Å; G275-N279 PolarHBondContact O-N 3.38Å; G275-N279 PolarHBondContact O-OD1 3.14Å
276	G	97.8	Very high	97.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-57	-41.7	176.9	0	0	0	0	0	113.1	G272 L273 I278 N279 I280 E398	G272-G276 PolarHBondContact O-N 3.27Å; L273-G276 PolarHBondContact O-N 2.86Å; G276-I278 PolarHBondContact O-N 3.4Å; G276-N279 PolarHBondContact O-N 3.39Å; G276-I280 WeakPolarHBondContact O-CB 3.39Å; G276-I280 WeakPolarHBondContact O-CG2 3.4Å; G276-I280 PolarHBondContact O-N 3.02Å; G276-E398 WeakPolarHBondContact CA-OE2 3.32Å
277	R	98.8	Very high	97.9	Very high	14 Å²	14	14.8 Å²	14.8	5%	0.053	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-41	174.7	-78.2	164.7	-169.1	161.3	0.4	113.6	L273 N274 G275 I280 A281 C351 K355 E398 M404	L273-R277 VanDerWaalsContact O-CB 3.28Å; L273-R277 WeakPolarHBondContact O-CB 3.4Å; L273-R277 VanDerWaalsContact O-CD 3.3Å; L273-R277 WeakPolarHBondContact O-CD 3.37Å; L273-R277 WeakPolarHBondContact O-CG 3.41Å; L273-R277 PolarHBondContact O-N 2.91Å; N274-R277 PolarHBondContact OD1-NH1 3Å; N274-R277 VanDerWaalsContact OD1-NH1 3.15Å; G275-R277 VanDerWaalsContact C-N 3.32Å; G275-R277 PolarHBondContact O-N 3.21Å; R277-I280 WeakPolarHBondContact O-CG2 3.24Å; R277-A281 VanDerWaalsContact O-CB 3.29Å; R277-A281 WeakPolarHBondContact O-CB 3.49Å; R277-A281 PolarHBondContact O-N 3.41Å; R277-C351 HydrophobicContact CB-CB 4.49Å; R277-K355 HydrophobicContact CB-CB 3.9Å; R277-K355 HydrophobicContact CB-CG 4.11Å; R277-K355 HydrophobicContact CG-CB 4.17Å; R277-K355 HydrophobicContact CG-CG 4.11Å; R277-E398 HydrophobicContact CG-CB 4.22Å; R277-E398 PolarHBondContact NE-O 2.87Å; R277-M404 HydrophobicContact CG-SD 4.35Å
278	I	98.9	Very high	98	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.5	-51.8	174.4	-69.8	158.6	0	0	0	109.1	N274 G275 G276 I280 A281 S282 I333 A336 A337 L340 C351	N274-I278 PolarHBondContact O-N 3.16Å; G275-I278 PolarHBondContact O-N 2.84Å; G275-I278 VanDerWaalsContact O-N 3.16Å; G276-I278 PolarHBondContact O-N 3.4Å; I278-I280 PolarHBondContact O-N 3.18Å; I278-A281 CarbonylContact O-C 3.53Å; I278-A281 WeakPolarHBondContact O-CA 3.46Å; I278-A281 WeakPolarHBondContact O-CB 3.02Å; I278-A281 PolarHBondContact O-N 3.48Å; I278-A281 VanDerWaalsContact O-N 3.08Å; I278-S282 PolarHBondContact O-N 3.23Å; I278-S282 PolarHBondContact O-OG 2.9Å; I278-I333 HydrophobicContact CG2-CG2 4.15Å; I278-A336 HydrophobicContact CG1-CB 4.28Å; I278-A337 HydrophobicContact CD1-CB 4.43Å; I278-A337 HydrophobicContact CG2-CB 4.05Å; I278-L340 HydrophobicContact CD1-CB 4.02Å; I278-L340 HydrophobicContact CD1-CD2 3.53Å; I278-L340 HydrophobicContact CD1-CG 4.42Å; I278-C351 VanDerWaalsContact CD1-SG 3.57Å
279	N	98.8	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-39.2	-173.1	-62.7	-12.8	0	0	0	113	T105 F109 S124 G275 G276 A281 S282 C283	T105-N279 WeakPolarHBondContact CG2-OD1 3.41Å; F109-N279 HydrophobicContact CD2-CB 3.83Å; F109-N279 HydrophobicContact CE2-CB 4.15Å; S124-N279 WeakPolarHBondContact OG-CB 3.49Å; S124-N279 PolarHBondContact OG-ND2 3.47Å; G275-N279 VanDerWaalsContact O-CG 3.24Å; G275-N279 PolarHBondContact O-N 3.38Å; G275-N279 PolarHBondContact O-OD1 3.14Å; G276-N279 PolarHBondContact O-N 3.39Å; N279-A281 VanDerWaalsContact C-N 3.31Å; N279-S282 WeakPolarHBondContact O-CB 3.06Å; N279-S282 PolarHBondContact O-N 2.95Å; N279-C283 PolarHBondContact O-N 3.45Å; N279-C283 PolarHBondContact O-SG 2.98Å
280	I	98.9	Very high	98	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.041	6%	0.063	C	C	.	.	H	α-helix	trans	-67.6	-34.2	175.7	-163.2	67	0	0	0	111.6	A121 W238 G276 R277 I278 C283 S284 K355 H394 E398	A121-I280 HydrophobicContact CB-CD1 4.33Å; W238-I280 HydrophobicContact CH2-CD1 3.87Å; W238-I280 HydrophobicContact CZ2-CD1 3.55Å; G276-I280 WeakPolarHBondContact O-CB 3.39Å; G276-I280 WeakPolarHBondContact O-CG2 3.4Å; G276-I280 PolarHBondContact O-N 3.02Å; R277-I280 WeakPolarHBondContact O-CG2 3.24Å; I278-I280 PolarHBondContact O-N 3.18Å; I280-C283 PolarHBondContact O-N 3.37Å; I280-S284 PolarHBondContact O-N 3.19Å; I280-S284 PolarHBondContact O-OG 3.27Å; I280-K355 HydrophobicContact CG2-CG 3.84Å; I280-H394 HydrophobicContact CD1-CB 4.36Å; I280-H394 VanDerWaalsContact CD1-CD2 3.43Å; I280-H394 WeakPolarHBondContact CD1-CD2 3.28Å; I280-H394 HydrophobicContact CG1-CB 3.86Å; I280-E398 HydrophobicContact CB-CG 4.22Å; I280-E398 HydrophobicContact CG2-CB 4.13Å; I280-E398 HydrophobicContact CG2-CG 4.05Å
281	A	98.9	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.1	-41.2	172.5	0	0	0	0	0	110.8	R277 I278 N279 C283 S284 L285 I333 A358	R277-A281 VanDerWaalsContact O-CB 3.29Å; R277-A281 WeakPolarHBondContact O-CB 3.49Å; R277-A281 PolarHBondContact O-N 3.41Å; I278-A281 CarbonylContact O-C 3.53Å; I278-A281 WeakPolarHBondContact O-CA 3.46Å; I278-A281 WeakPolarHBondContact O-CB 3.02Å; I278-A281 PolarHBondContact O-N 3.48Å; I278-A281 VanDerWaalsContact O-N 3.08Å; N279-A281 VanDerWaalsContact C-N 3.31Å; A281-C283 VanDerWaalsContact C-N 3.34Å; A281-C283 PolarHBondContact O-N 2.89Å; A281-S284 VanDerWaalsContact O-CB 3.3Å; A281-S284 WeakPolarHBondContact O-CB 3.46Å; A281-S284 PolarHBondContact O-N 3.39Å; A281-S284 VanDerWaalsContact O-N 3.14Å; A281-L285 PolarHBondContact O-N 3.07Å; A281-I333 HydrophobicContact CB-CD1 3.78Å; A281-I333 HydrophobicContact CB-CG1 3.69Å; A281-I333 WeakPolarHBondContact O-CD1 3.26Å; A281-A358 HydrophobicContact CB-CB 3.92Å
282	S	98.9	Very high	98.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.3	-39.6	172.6	-46.7	0	0	0	0	112.2	S106 E110 I278 N279 S284 L285 G286	S106-S282 WeakPolarHBondContact CA-OG 3.33Å; S106-S282 WeakPolarHBondContact CB-OG 3.29Å; S106-S282 WeakPolarHBondContact O-CB 3.12Å; S106-S282 PolarHBondContact OG-OG 3.4Å; E110-S282 WeakPolarHBondContact CA-O 3.39Å; I278-S282 PolarHBondContact O-N 3.23Å; I278-S282 PolarHBondContact O-OG 2.9Å; N279-S282 WeakPolarHBondContact O-CB 3.06Å; N279-S282 PolarHBondContact O-N 2.95Å; S282-S284 VanDerWaalsContact C-N 3.33Å; S282-S284 PolarHBondContact O-N 3.39Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.48Å; S282-G286 PolarHBondContact O-N 2.83Å
283	C	98.9	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.5	-41	173.4	-66	0	0	0	0	111.9	A113 T117 N279 I280 A281 L285 G286 A287	A113-C283 HydrophobicContact CB-CB 4.18Å; A113-C283 WeakPolarHBondContact CB-O 3.47Å; T117-C283 HydrophobicContact CG2-CB 4.27Å; N279-C283 PolarHBondContact O-N 3.45Å; N279-C283 PolarHBondContact O-SG 2.98Å; I280-C283 PolarHBondContact O-N 3.37Å; A281-C283 VanDerWaalsContact C-N 3.34Å; A281-C283 PolarHBondContact O-N 2.89Å; C283-L285 VanDerWaalsContact C-N 3.3Å; C283-L285 PolarHBondContact O-N 3.26Å; C283-G286 PolarHBondContact O-N 3.44Å; C283-A287 PolarHBondContact O-N 3.33Å
284	S	98.9	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-40.7	174.6	-49.6	0	0	0	0	111.4	I280 A281 S282 A287 A288 C362 H394	I280-S284 PolarHBondContact O-N 3.19Å; I280-S284 PolarHBondContact O-OG 3.27Å; A281-S284 VanDerWaalsContact O-CB 3.3Å; A281-S284 WeakPolarHBondContact O-CB 3.46Å; A281-S284 PolarHBondContact O-N 3.39Å; A281-S284 VanDerWaalsContact O-N 3.14Å; S282-S284 VanDerWaalsContact C-N 3.33Å; S282-S284 PolarHBondContact O-N 3.39Å; S284-A287 PolarHBondContact O-N 3.42Å; S284-A288 WeakPolarHBondContact O-CB 3.19Å; S284-A288 PolarHBondContact O-N 2.94Å; S284-C362 WeakPolarHBondContact O-CB 3.22Å; S284-H394 PolarHBondContact OG-ND1 2.9Å
285	L	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.1	-42	178.8	-176	67	0	0	0	112.2	E110 A281 S282 C283 A288 H289 L326 A329 R330 I333	E110-L285 HydrophobicContact CB-CD2 4.48Å; E110-L285 HydrophobicContact CG-CB 4.4Å; E110-L285 HydrophobicContact CG-CD2 3.86Å; E110-L285 HydrophobicContact CG-CG 4.01Å; E110-L285 VanDerWaalsContact OE1-CD2 3.22Å; E110-L285 WeakPolarHBondContact OE1-CD2 3.42Å; E110-L285 WeakPolarHBondContact OE1-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.07Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.48Å; C283-L285 VanDerWaalsContact C-N 3.3Å; C283-L285 PolarHBondContact O-N 3.26Å; L285-A288 PolarHBondContact O-N 3.04Å; L285-H289 VanDerWaalsContact O-CB 3.31Å; L285-H289 WeakPolarHBondContact O-CB 3.31Å; L285-H289 PolarHBondContact O-N 2.85Å; L285-L326 HydrophobicContact CD1-CD1 3.53Å; L285-L326 HydrophobicContact CD1-CG 4.25Å; L285-A329 HydrophobicContact CD1-CB 4.36Å; L285-R330 HydrophobicContact CD1-CB 3.89Å; L285-R330 HydrophobicContact CD2-CB 3.77Å; L285-R330 HydrophobicContact CD2-CG 3.82Å; L285-R330 HydrophobicContact CG-CB 4.47Å; L285-I333 HydrophobicContact CB-CD1 3.91Å; L285-I333 HydrophobicContact CD2-CD1 3.96Å; L285-I333 HydrophobicContact CG-CD1 4.41Å
286	G	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.3	-46.2	174.4	0	0	0	0	0	112.7	E110 S282 C283 A288 H289 A290	E110-G286 WeakPolarHBondContact O-CA 3.47Å; S282-G286 PolarHBondContact O-N 2.83Å; C283-G286 PolarHBondContact O-N 3.44Å; G286-A288 PolarHBondContact O-N 3.06Å; G286-H289 PolarHBondContact O-N 3.42Å; G286-A290 WeakPolarHBondContact O-CB 3.49Å; G286-A290 PolarHBondContact O-N 3.3Å
287	A	98.9	Very high	98.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-45	175.7	0	0	0	0	0	112.2	T117 C283 S284 S291 Y387	T117-A287 HydrophobicContact CG2-CB 4.27Å; T117-A287 WeakPolarHBondContact OG1-CB 3.25Å; C283-A287 PolarHBondContact O-N 3.33Å; S284-A287 PolarHBondContact O-N 3.42Å; A287-S291 VanDerWaalsContact O-CB 3.3Å; A287-S291 WeakPolarHBondContact O-CB 3.27Å; A287-S291 PolarHBondContact O-N 2.71Å; A287-S291 PolarHBondContact O-OG 2.92Å; A287-Y387 HydrophobicContact CB-CD1 3.74Å; A287-Y387 HydrophobicContact CB-CG 4.18Å
288	A	98.9	Very high	98.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.7	-41.8	178.4	0	0	0	0	0	112.3	S284 L285 G286 S291 V292 L326 C362 I365	S284-A288 WeakPolarHBondContact O-CB 3.19Å; S284-A288 PolarHBondContact O-N 2.94Å; L285-A288 PolarHBondContact O-N 3.04Å; G286-A288 PolarHBondContact O-N 3.06Å; A288-S291 WeakPolarHBondContact O-CB 3.39Å; A288-S291 PolarHBondContact O-N 3.06Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.03Å; A288-L326 HydrophobicContact CB-CD1 3.67Å; A288-C362 HydrophobicContact CB-CB 3.69Å; A288-I365 HydrophobicContact CB-CB 4.14Å; A288-I365 HydrophobicContact CB-CD1 4.21Å; A288-I365 HydrophobicContact CB-CG2 3.91Å
289	H	98.9	Very high	98.9	Very high	22 Å²	22	15.5 Å²	15.5	10%	0.102	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-49.3	176.3	179.8	-94.1	0	0	0	111	L285 G286 S291 V292 I293 L326 R330	L285-H289 VanDerWaalsContact O-CB 3.31Å; L285-H289 WeakPolarHBondContact O-CB 3.31Å; L285-H289 PolarHBondContact O-N 2.85Å; G286-H289 PolarHBondContact O-N 3.42Å; H289-S291 VanDerWaalsContact C-N 3.27Å; H289-S291 PolarHBondContact O-N 2.99Å; H289-V292 PolarHBondContact O-N 2.85Å; H289-I293 WeakPolarHBondContact O-CG1 3.4Å; H289-I293 PolarHBondContact O-N 3.4Å; H289-L326 HydrophobicContact CB-CD1 4.21Å; H289-L326 HydrophobicContact CB-CD2 4.19Å; H289-R330 PolarHBondContact CD2-NH2 3.08Å; H289-R330 VanDerWaalsContact CD2-NH2 3.3Å
290	A	98.9	Very high	98.9	Very high	11 Å²	11	21.7 Å²	21.7	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-57.6	-42.1	175.2	0	0	0	0	0	111.7	T114 G286 V292 I293 L294 Y387	T114-A290 HydrophobicContact CG2-CB 4.46Å; G286-A290 WeakPolarHBondContact O-CB 3.49Å; G286-A290 PolarHBondContact O-N 3.3Å; A290-V292 PolarHBondContact O-N 2.97Å; A290-I293 PolarHBondContact O-N 3.16Å; A290-L294 WeakPolarHBondContact O-CB 3.47Å; A290-L294 VanDerWaalsContact O-CG 3.3Å; A290-L294 WeakPolarHBondContact O-CG 3.48Å; A290-L294 PolarHBondContact O-N 3.48Å; A290-Y387 HydrophobicContact CB-CD2 4.35Å; A290-Y387 HydrophobicContact CB-CE1 4.33Å; A290-Y387 HydrophobicContact CB-CE2 3.67Å
291	S	98.9	Very high	98.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-40.2	177	-64.6	0	0	0	0	113.1	A287 A288 H289 T295	A287-S291 VanDerWaalsContact O-CB 3.3Å; A287-S291 WeakPolarHBondContact O-CB 3.27Å; A287-S291 PolarHBondContact O-N 2.71Å; A287-S291 PolarHBondContact O-OG 2.92Å; A288-S291 WeakPolarHBondContact O-CB 3.39Å; A288-S291 PolarHBondContact O-N 3.06Å; H289-S291 VanDerWaalsContact C-N 3.27Å; H289-S291 PolarHBondContact O-N 2.99Å; S291-T295 VanDerWaalsContact O-CB 3.22Å; S291-T295 WeakPolarHBondContact O-CB 3.46Å; S291-T295 PolarHBondContact O-N 3.11Å; S291-T295 PolarHBondContact O-OG1 2.87Å
292	V	98.9	Very high	98.8	Very high	4 Å²	4	31 Å²	31	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-43.5	175.7	172.9	0	0	0	0	111.2	I35 A288 H289 A290 T295 R296 L319 M322 L326 I365	I35-V292 HydrophobicContact CD1-CG1 3.81Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.03Å; H289-V292 PolarHBondContact O-N 2.85Å; A290-V292 PolarHBondContact O-N 2.97Å; V292-T295 PolarHBondContact O-N 3.26Å; V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 PolarHBondContact O-N 3.35Å; V292-L319 HydrophobicContact CG1-CD1 4.21Å; V292-M322 HydrophobicContact CG2-CB 4.11Å; V292-M322 HydrophobicContact CG2-CE 4.02Å; V292-L326 HydrophobicContact CB-CD2 4.44Å; V292-L326 HydrophobicContact CG2-CD2 4.13Å; V292-I365 HydrophobicContact CG2-CG2 3.57Å
293	I	98.9	Very high	98.8	Very high	43 Å²	43	37 Å²	37	22%	0.221	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-52.6	177.8	-65.7	-61.2	0	0	0	110.8	I35 H289 A290 T295 R296 D297	I35-I293 HydrophobicContact CD1-CD1 4Å; H289-I293 WeakPolarHBondContact O-CG1 3.4Å; H289-I293 PolarHBondContact O-N 3.4Å; A290-I293 PolarHBondContact O-N 3.16Å; I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 3.1Å; I293-R296 PolarHBondContact O-N 2.9Å; I293-D297 VanDerWaalsContact O-CG 3.28Å; I293-D297 PolarHBondContact O-N 3.43Å
294	L	98.9	Very high	98.8	Very high	67 Å²	67	41.5 Å²	41.5	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-58.2	-42.2	177.9	-70.5	171.3	0	0	0	111.6	A290 D297 H298 A383 Y387	A290-L294 WeakPolarHBondContact O-CB 3.47Å; A290-L294 VanDerWaalsContact O-CG 3.3Å; A290-L294 WeakPolarHBondContact O-CG 3.48Å; A290-L294 PolarHBondContact O-N 3.48Å; L294-D297 PolarHBondContact O-N 2.85Å; L294-H298 VanDerWaalsContact O-CB 3.27Å; L294-H298 WeakPolarHBondContact O-CB 3.41Å; L294-H298 PolarHBondContact O-N 3.01Å; L294-A383 HydrophobicContact CD1-CB 4.1Å; L294-Y387 HydrophobicContact CD1-CE2 4.05Å
295	T	98.9	Very high	98.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-50.6	178.5	-62.3	0	0	0	0	111.8	S291 V292 I293 D297 H298 L299 L319 M322 A369 M372	S291-T295 VanDerWaalsContact O-CB 3.22Å; S291-T295 WeakPolarHBondContact O-CB 3.46Å; S291-T295 PolarHBondContact O-N 3.11Å; S291-T295 PolarHBondContact O-OG1 2.87Å; V292-T295 PolarHBondContact O-N 3.26Å; I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 3.1Å; T295-D297 PolarHBondContact O-N 3.3Å; T295-H298 PolarHBondContact O-N 3.46Å; T295-L299 HydrophobicContact CG2-CD1 4.18Å; T295-L299 HydrophobicContact CG2-CG 4.31Å; T295-L299 VanDerWaalsContact O-CG 3.27Å; T295-L299 WeakPolarHBondContact O-CG 3.36Å; T295-L299 PolarHBondContact O-N 3.08Å; T295-L319 HydrophobicContact CG2-CD1 4.3Å; T295-M322 HydrophobicContact CG2-CE 4.23Å; T295-A369 WeakPolarHBondContact OG1-CA 3.34Å; T295-A369 WeakPolarHBondContact OG1-CB 3.46Å; T295-M372 HydrophobicContact CG2-CB 3.75Å; T295-M372 HydrophobicContact CG2-CE 3.8Å; T295-M372 HydrophobicContact CG2-CG 4.23Å; T295-M372 HydrophobicContact CG2-SD 3.48Å; T295-M372 WeakPolarHBondContact CG2-SD 3.38Å
296	R	98.8	Very high	98.7	Very high	72 Å²	72	53.5 Å²	53.5	27%	0.272	27%	0.269	S	S	.	.	H	α-helix	trans	-54.4	-44.2	177.5	178.4	-160.6	66.8	-151	-8.1	111.1	V292 I293 K300 L319	V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 PolarHBondContact O-N 3.35Å; I293-R296 PolarHBondContact O-N 2.9Å; R296-K300 WeakPolarHBondContact O-CG 3.45Å; R296-K300 PolarHBondContact O-N 3.49Å; R296-L319 HydrophobicContact CB-CD1 4.4Å; R296-L319 HydrophobicContact CB-CD2 4.22Å; R296-L319 HydrophobicContact CG-CD2 4.32Å
297	D	98.8	Very high	98.7	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-73.5	-41.2	-176.6	-62.8	-14.9	0	0	0	111.1	I293 L294 T295 L299 K300 V301	I293-D297 VanDerWaalsContact O-CG 3.28Å; I293-D297 PolarHBondContact O-N 3.43Å; L294-D297 PolarHBondContact O-N 2.85Å; T295-D297 PolarHBondContact O-N 3.3Å; D297-L299 PolarHBondContact O-N 3.18Å; D297-K300 PolarHBondContact O-N 2.76Å; D297-V301 WeakPolarHBondContact O-CG2 3.3Å; D297-V301 PolarHBondContact O-N 2.83Å
298	H	98.8	Very high	98.7	Very high	30 Å²	30	60.1 Å²	60.1	14%	0.139	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-45.1	172.6	178.1	-104	0	0	0	112	L294 T295 K300 V301 R302 M372 H373	L294-H298 VanDerWaalsContact O-CB 3.27Å; L294-H298 WeakPolarHBondContact O-CB 3.41Å; L294-H298 PolarHBondContact O-N 3.01Å; T295-H298 PolarHBondContact O-N 3.46Å; H298-K300 VanDerWaalsContact C-N 3.28Å; H298-K300 PolarHBondContact O-N 3.21Å; H298-V301 PolarHBondContact O-N 3.49Å; H298-R302 VanDerWaalsContact O-CB 3.29Å; H298-R302 WeakPolarHBondContact O-CB 3.37Å; H298-R302 PolarHBondContact O-N 3.13Å; H298-M372 PolarHBondContact CE1-O 2.73Å; H298-M372 VanDerWaalsContact CE1-O 3.3Å; H298-M372 PolarHBondContact ND1-O 2.96Å; H298-M372 VanDerWaalsContact ND1-O 3.12Å; H298-H373 AromaticContact CD2-CD2 4Å; H298-H373 AromaticContact CG-CD2 3.83Å; H298-H373 AromaticContact CG-NE2 3.94Å
299	L	98.8	Very high	98.7	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-33.5	-179.6	-69.5	178.9	0	0	0	113.2	T295 D297 L309 A310 L315 L319 M372	T295-L299 HydrophobicContact CG2-CD1 4.18Å; T295-L299 HydrophobicContact CG2-CG 4.31Å; T295-L299 VanDerWaalsContact O-CG 3.27Å; T295-L299 WeakPolarHBondContact O-CG 3.36Å; T295-L299 PolarHBondContact O-N 3.08Å; D297-L299 PolarHBondContact O-N 3.18Å; L299-L309 HydrophobicContact CB-CB 4.39Å; L299-L309 HydrophobicContact CD2-CB 3.53Å; L299-L309 HydrophobicContact CD2-CD1 4.08Å; L299-L309 HydrophobicContact CD2-CG 4.48Å; L299-L309 PolarHBondContact O-N 2.88Å; L299-L309 VanDerWaalsContact O-N 3.17Å; L299-A310 HydrophobicContact CB-CB 4.07Å; L299-A310 WeakPolarHBondContact O-CB 3.33Å; L299-A310 PolarHBondContact O-N 3.04Å; L299-L315 HydrophobicContact CD1-CB 4.49Å; L299-L315 HydrophobicContact CD2-CB 4.26Å; L299-L315 HydrophobicContact CD2-CD1 3.87Å; L299-L319 HydrophobicContact CD1-CB 4.47Å; L299-L319 HydrophobicContact CD1-CD2 4.16Å; L299-M372 HydrophobicContact CD1-CE 3.31Å; L299-M372 HydrophobicContact CD2-CE 3.93Å; L299-M372 HydrophobicContact CG-CE 4.04Å
300	K	98.7	Very high	98.6	Very high	129 Å²	129	61.6 Å²	61.6	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-73.8	-31.4	178.5	-72.7	174	178.3	-178.3	0	112.6	R296 D297 H298	R296-K300 WeakPolarHBondContact O-CG 3.45Å; R296-K300 PolarHBondContact O-N 3.49Å; D297-K300 PolarHBondContact O-N 2.76Å; H298-K300 VanDerWaalsContact C-N 3.28Å; H298-K300 PolarHBondContact O-N 3.21Å
301	V	98.5	Very high	98.6	Very high	118 Å²	118	64.2 Å²	64.2	72%	0.715	33%	0.332	S	S	*	.	H	α-helix	trans	-94.8	-44.9	-174	175.3	0	0	0	0	112	D297 H298 K303	D297-V301 WeakPolarHBondContact O-CG2 3.3Å; D297-V301 PolarHBondContact O-N 2.83Å; H298-V301 PolarHBondContact O-N 3.49Å; V301-K303 PolarHBondContact O-N 2.83Å
302	R	98.3	Very high	98.6	Very high	85 Å²	85	67.1 Å²	67.1	32%	0.321	35%	0.348	S	S	.	.			trans	-73	131.6	-175.3	-175.7	57.5	179.3	-127.7	4.9	110.3	H298 P308 L309 Y376	H298-R302 VanDerWaalsContact O-CB 3.29Å; H298-R302 WeakPolarHBondContact O-CB 3.37Å; H298-R302 PolarHBondContact O-N 3.13Å; R302-P308 CarbonylContact O-C 3.55Å; R302-P308 WeakPolarHBondContact O-CA 3.32Å; R302-L309 HydrophobicContact CB-CD1 3.9Å; R302-L309 HydrophobicContact CB-CG 4.19Å; R302-L309 HydrophobicContact CG-CD1 3.77Å; R302-L309 HydrophobicContact CG-CG 4.14Å; R302-L309 WeakPolarHBondContact O-CG 3.22Å; R302-L309 PolarHBondContact O-N 3.21Å; R302-Y376 PolarHBondContact NH1-OH 3.12Å
303	K	98.6	Very high	98.6	Very high	127 Å²	127	73.1 Å²	73.1	55%	0.552	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.7	177.2	-60.2	-172.5	176.9	-173.6	0	112.2	V301 E307 P308	V301-K303 PolarHBondContact O-N 2.83Å; K303-E307 CarbonylContact C-O 3.54Å; K303-E307 WeakPolarHBondContact CA-O 3.2Å; K303-E307 WeakPolarHBondContact CB-O 3.43Å; K303-P308 HydrophobicContact CG-CG 4.49Å
304	Q	98.4	Very high	98.6	Very high	94 Å²	94	79.1 Å²	79.1	44%	0.439	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152	167	-76.6	-61.6	-79.9	0	0	108.5	G306 E307 L309	Q304-G306 PolarHBondContact O-N 3.3Å; Q304-G306 VanDerWaalsContact O-N 3.16Å; Q304-E307 PolarHBondContact N-O 3.43Å; Q304-E307 PolarHBondContact O-N 3.44Å; Q304-E307 VanDerWaalsContact O-N 3.16Å; Q304-L309 HydrophobicContact CB-CD2 3.9Å; Q304-L309 HydrophobicContact CG-CD2 4.1Å
305	F	97.9	Very high	98.6	Very high	190 Å²	190	77.7 Å²	77.7	83%	0.833	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.7	-176.8	-50.5	-76.3	0	0	0	113.1	E307	F305-E307 VanDerWaalsContact C-N 3.31Å; F305-E307 PolarHBondContact O-N 3.46Å
306	G	97.8	Very high	98.6	Very high	63 Å²	63	82.2 Å²	82.2	65%	0.649	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-19.1	178.4	0	0	0	0	0	115.9	Q304	Q304-G306 PolarHBondContact O-N 3.3Å; Q304-G306 VanDerWaalsContact O-N 3.16Å
307	E	98.4	Very high	98.6	Very high	111 Å²	111	84.3 Å²	84.3	52%	0.519	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	158.8	-170.3	-68.9	-58.7	142.4	0	0	112.9	K303 Q304 F305	K303-E307 CarbonylContact C-O 3.54Å; K303-E307 WeakPolarHBondContact CA-O 3.2Å; K303-E307 WeakPolarHBondContact CB-O 3.43Å; Q304-E307 PolarHBondContact N-O 3.43Å; Q304-E307 PolarHBondContact O-N 3.44Å; Q304-E307 VanDerWaalsContact O-N 3.16Å; F305-E307 VanDerWaalsContact C-N 3.31Å; F305-E307 PolarHBondContact O-N 3.46Å
308	P	98.7	Very high	98.6	Very high	28 Å²	28	82.8 Å²	82.8	18%	0.182	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	144.8	166	-24.9	35.3	0	0	0	111.6	R302 K303 A310 S311	R302-P308 CarbonylContact O-C 3.55Å; R302-P308 WeakPolarHBondContact O-CA 3.32Å; K303-P308 HydrophobicContact CG-CG 4.49Å; P308-A310 HydrophobicContact CB-CB 4.49Å; P308-A310 PolarHBondContact O-N 3.34Å; P308-A310 VanDerWaalsContact O-N 3.13Å; P308-S311 WeakPolarHBondContact O-CB 3.27Å; P308-S311 PolarHBondContact O-N 3.06Å; P308-S311 PolarHBondContact O-OG 3.2Å
309	L	98.8	Very high	98.6	Very high	22 Å²	22	83.1 Å²	83.1	12%	0.115	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-57.9	-30.9	175.9	-68.3	-177.2	0	0	0	111.5	L299 R302 Q304 S311 N312 L315	L299-L309 HydrophobicContact CB-CB 4.39Å; L299-L309 HydrophobicContact CD2-CB 3.53Å; L299-L309 HydrophobicContact CD2-CD1 4.08Å; L299-L309 HydrophobicContact CD2-CG 4.48Å; L299-L309 PolarHBondContact O-N 2.88Å; L299-L309 VanDerWaalsContact O-N 3.17Å; R302-L309 HydrophobicContact CB-CD1 3.9Å; R302-L309 HydrophobicContact CB-CG 4.19Å; R302-L309 HydrophobicContact CG-CD1 3.77Å; R302-L309 HydrophobicContact CG-CG 4.14Å; R302-L309 WeakPolarHBondContact O-CG 3.22Å; R302-L309 PolarHBondContact O-N 3.21Å; Q304-L309 HydrophobicContact CB-CD2 3.9Å; Q304-L309 HydrophobicContact CG-CD2 4.1Å; L309-S311 PolarHBondContact O-N 3.04Å; L309-S311 VanDerWaalsContact O-N 3.09Å; L309-N312 WeakPolarHBondContact CA-ND2 3.48Å; L309-N312 WeakPolarHBondContact O-CB 3.3Å; L309-N312 PolarHBondContact O-N 2.75Å; L309-N312 PolarHBondContact O-ND2 3.2Å; L309-L315 HydrophobicContact CB-CD1 3.83Å; L309-L315 HydrophobicContact CD2-CD1 4.27Å; L309-L315 HydrophobicContact CG-CD1 4.46Å
310	A	98.5	Very high	98.6	Very high	30 Å²	30	85.4 Å²	85.4	25%	0.248	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-58.5	-15.4	173.8	0	0	0	0	0	114.6	L299 P308 N312 Q316	L299-A310 HydrophobicContact CB-CB 4.07Å; L299-A310 WeakPolarHBondContact O-CB 3.33Å; L299-A310 PolarHBondContact O-N 3.04Å; P308-A310 HydrophobicContact CB-CB 4.49Å; P308-A310 PolarHBondContact O-N 3.34Å; P308-A310 VanDerWaalsContact O-N 3.13Å; A310-N312 VanDerWaalsContact C-N 3.34Å; A310-Q316 VanDerWaalsContact O-CG 3.29Å; A310-Q316 WeakPolarHBondContact O-CG 3.46Å; A310-Q316 PolarHBondContact O-NE2 3.09Å
311	S	98.5	Very high	98.6	Very high	67 Å²	67	83 Å²	83	47%	0.469	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-80.5	-13.4	174.4	-57.2	0	0	0	0	113.2	P308 L309 Q313	P308-S311 WeakPolarHBondContact O-CB 3.27Å; P308-S311 PolarHBondContact O-N 3.06Å; P308-S311 PolarHBondContact O-OG 3.2Å; L309-S311 PolarHBondContact O-N 3.04Å; L309-S311 VanDerWaalsContact O-N 3.09Å; S311-Q313 PolarHBondContact O-N 3.22Å
312	N	98.5	Very high	98.6	Very high	61 Å²	61	77.4 Å²	77.4	33%	0.326	39%	0.394	S	S	.	.			trans	-83.1	116.5	179.8	-62	-81.3	0	0	0	110.4	L309 A310 Y314 L315 Q316	L309-N312 WeakPolarHBondContact CA-ND2 3.48Å; L309-N312 WeakPolarHBondContact O-CB 3.3Å; L309-N312 PolarHBondContact O-N 2.75Å; L309-N312 PolarHBondContact O-ND2 3.2Å; A310-N312 VanDerWaalsContact C-N 3.34Å; N312-Y314 VanDerWaalsContact C-N 3.29Å; N312-Y314 PolarHBondContact O-N 2.94Å; N312-L315 HydrophobicContact CB-CB 4.33Å; N312-L315 HydrophobicContact CB-CD1 4.04Å; N312-L315 HydrophobicContact CB-CG 4.07Å; N312-L315 PolarHBondContact O-N 3.5Å; N312-Q316 PolarHBondContact O-N 2.94Å; N312-Q316 VanDerWaalsContact O-N 3.12Å
313	Q	98.7	Very high	98.6	Very high	130 Å²	130	74.2 Å²	74.2	61%	0.607	39%	0.385	S	S	*	.	H	α-helix	trans	-55.1	-41	-174.9	-174.6	177.5	60.4	0	0	113.4	S311 L315 Q316 F317	S311-Q313 PolarHBondContact O-N 3.22Å; Q313-L315 VanDerWaalsContact C-N 3.3Å; Q313-L315 PolarHBondContact O-N 3.3Å; Q313-Q316 WeakPolarHBondContact O-CB 3.21Å; Q313-Q316 PolarHBondContact O-N 2.97Å; Q313-Q316 VanDerWaalsContact O-N 3.15Å; Q313-F317 HydrophobicContact CG-CD1 4.24Å; Q313-F317 HydrophobicContact CG-CE1 3.76Å; Q313-F317 HydrophobicContact CG-CE2 4.18Å; Q313-F317 HydrophobicContact CG-CZ 3.73Å; Q313-F317 PolarHBondContact O-N 3.34Å
314	Y	98.7	Very high	98.6	Very high	169 Å²	169	72.7 Å²	72.7	66%	0.663	39%	0.387	S	S	*	.	H	α-helix	trans	-59.6	-40.9	177.2	-176.5	-107.1	0	0	0	112.1	N312 Q316 F317 M318	N312-Y314 VanDerWaalsContact C-N 3.29Å; N312-Y314 PolarHBondContact O-N 2.94Å; Y314-Q316 VanDerWaalsContact C-N 3.34Å; Y314-Q316 PolarHBondContact O-N 2.96Å; Y314-F317 PolarHBondContact O-N 3.11Å; Y314-M318 HydrophobicContact CD1-CG 4.34Å; Y314-M318 HydrophobicContact CE1-CG 3.97Å; Y314-M318 HydrophobicContact CE1-SD 4.42Å; Y314-M318 HydrophobicContact CE2-SD 4.37Å; Y314-M318 WeakPolarHBondContact O-CG 3.36Å; Y314-M318 PolarHBondContact O-N 3.27Å
315	L	98.8	Very high	98.7	Very high	36 Å²	36	72.8 Å²	72.8	19%	0.188	38%	0.383	C	S	.	.	H	α-helix	trans	-70.3	-31.6	178	-60.1	-178.1	0	0	0	112.1	L299 L309 N312 Q313 L319 M372	L299-L315 HydrophobicContact CD1-CB 4.49Å; L299-L315 HydrophobicContact CD2-CB 4.26Å; L299-L315 HydrophobicContact CD2-CD1 3.87Å; L309-L315 HydrophobicContact CB-CD1 3.83Å; L309-L315 HydrophobicContact CD2-CD1 4.27Å; L309-L315 HydrophobicContact CG-CD1 4.46Å; N312-L315 HydrophobicContact CB-CB 4.33Å; N312-L315 HydrophobicContact CB-CD1 4.04Å; N312-L315 HydrophobicContact CB-CG 4.07Å; N312-L315 PolarHBondContact O-N 3.5Å; Q313-L315 VanDerWaalsContact C-N 3.3Å; Q313-L315 PolarHBondContact O-N 3.3Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 PolarHBondContact O-N 3.12Å; L315-M372 HydrophobicContact CB-CE 3.96Å; L315-M372 HydrophobicContact CD2-CE 4.11Å; L315-M372 HydrophobicContact CD2-CG 4.47Å; L315-M372 VanDerWaalsContact O-CE 3.28Å; L315-M372 WeakPolarHBondContact O-CE 3.22Å
316	Q	98.9	Very high	98.7	Very high	95 Å²	95	63.7 Å²	63.7	44%	0.444	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-43.5	171.8	-62.6	173.6	-3.9	0	0	111.5	A310 N312 Q313 Y314 L319 A320	A310-Q316 VanDerWaalsContact O-CG 3.29Å; A310-Q316 WeakPolarHBondContact O-CG 3.46Å; A310-Q316 PolarHBondContact O-NE2 3.09Å; N312-Q316 PolarHBondContact O-N 2.94Å; N312-Q316 VanDerWaalsContact O-N 3.12Å; Q313-Q316 WeakPolarHBondContact O-CB 3.21Å; Q313-Q316 PolarHBondContact O-N 2.97Å; Q313-Q316 VanDerWaalsContact O-N 3.15Å; Y314-Q316 VanDerWaalsContact C-N 3.34Å; Y314-Q316 PolarHBondContact O-N 2.96Å; Q316-L319 PolarHBondContact O-N 3.33Å; Q316-A320 WeakPolarHBondContact O-CB 3.33Å; Q316-A320 PolarHBondContact O-N 2.98Å
317	F	98.9	Very high	98.8	Very high	116 Å²	116	62.9 Å²	62.9	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-44.6	177.4	-72.4	3	0	0	0	111.5	Q313 Y314 L319 A320 D321	Q313-F317 HydrophobicContact CG-CD1 4.24Å; Q313-F317 HydrophobicContact CG-CE1 3.76Å; Q313-F317 HydrophobicContact CG-CE2 4.18Å; Q313-F317 HydrophobicContact CG-CZ 3.73Å; Q313-F317 PolarHBondContact O-N 3.34Å; Y314-F317 PolarHBondContact O-N 3.11Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-L319 PolarHBondContact O-N 3.48Å; F317-A320 WeakPolarHBondContact O-CB 3.35Å; F317-A320 PolarHBondContact O-N 3.34Å; F317-A320 VanDerWaalsContact O-N 3.15Å; F317-D321 PolarHBondContact O-N 3.26Å
318	M	98.9	Very high	98.8	Very high	34 Å²	34	59.2 Å²	59.2	17%	0.167	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-45.1	174.7	-68.1	-56.6	-58	0	0	111.9	Y314 A320 D321 M322 Q368 M372	Y314-M318 HydrophobicContact CD1-CG 4.34Å; Y314-M318 HydrophobicContact CE1-CG 3.97Å; Y314-M318 HydrophobicContact CE1-SD 4.42Å; Y314-M318 HydrophobicContact CE2-SD 4.37Å; Y314-M318 WeakPolarHBondContact O-CG 3.36Å; Y314-M318 PolarHBondContact O-N 3.27Å; M318-A320 VanDerWaalsContact C-N 3.31Å; M318-A320 PolarHBondContact O-N 3.39Å; M318-D321 PolarHBondContact O-N 2.69Å; M318-M322 VanDerWaalsContact O-CG 3.23Å; M318-M322 WeakPolarHBondContact O-CG 3.33Å; M318-M322 PolarHBondContact O-N 2.95Å; M318-Q368 HydrophobicContact CE-CB 4.26Å; M318-Q368 VanDerWaalsContact CE-CD 3.46Å; M318-Q368 HydrophobicContact CE-CG 3.62Å; M318-Q368 VanDerWaalsContact CE-OE1 3.24Å; M318-M372 HydrophobicContact CB-CE 4.13Å; M318-M372 HydrophobicContact CB-SD 4Å
319	L	98.8	Very high	98.8	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-36	177.1	-174.9	62.9	0	0	0	112.4	V292 T295 R296 L299 L315 Q316 F317 M322 A323 M372	V292-L319 HydrophobicContact CG1-CD1 4.21Å; T295-L319 HydrophobicContact CG2-CD1 4.3Å; R296-L319 HydrophobicContact CB-CD1 4.4Å; R296-L319 HydrophobicContact CB-CD2 4.22Å; R296-L319 HydrophobicContact CG-CD2 4.32Å; L299-L319 HydrophobicContact CD1-CB 4.47Å; L299-L319 HydrophobicContact CD1-CD2 4.16Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 PolarHBondContact O-N 3.12Å; Q316-L319 PolarHBondContact O-N 3.33Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-L319 PolarHBondContact O-N 3.48Å; L319-M322 PolarHBondContact O-N 3.46Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 3.16Å; L319-M372 HydrophobicContact CB-CE 4.48Å
320	A	98.9	Very high	98.8	Very high	50 Å²	50	57.4 Å²	57.4	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-43	176	0	0	0	0	0	112.1	Q316 F317 M318 A323 T324	Q316-A320 WeakPolarHBondContact O-CB 3.33Å; Q316-A320 PolarHBondContact O-N 2.98Å; F317-A320 WeakPolarHBondContact O-CB 3.35Å; F317-A320 PolarHBondContact O-N 3.34Å; F317-A320 VanDerWaalsContact O-N 3.15Å; M318-A320 VanDerWaalsContact C-N 3.31Å; M318-A320 PolarHBondContact O-N 3.39Å; A320-A323 PolarHBondContact O-N 3.34Å; A320-T324 WeakPolarHBondContact O-CB 3.28Å; A320-T324 PolarHBondContact O-N 2.9Å; A320-T324 PolarHBondContact O-OG1 3.22Å
321	D	98.9	Very high	98.8	Very high	80 Å²	80	61.6 Å²	61.6	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-43.7	175.4	-78	-13.1	0	0	0	111.4	F317 M318 A323 T324 R325	F317-D321 PolarHBondContact O-N 3.26Å; M318-D321 PolarHBondContact O-N 2.69Å; D321-A323 PolarHBondContact O-N 3.01Å; D321-T324 PolarHBondContact O-N 2.96Å; D321-R325 WeakPolarHBondContact O-CB 3.46Å; D321-R325 WeakPolarHBondContact O-CD 3.22Å; D321-R325 VanDerWaalsContact O-CG 3.28Å; D321-R325 WeakPolarHBondContact O-CG 3.15Å; D321-R325 PolarHBondContact O-N 3.37Å
322	M	98.9	Very high	98.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-47.6	176.1	-70	166.2	68.2	0	0	111.5	V292 T295 M318 L319 L326 I365 Q368 A369 M372	V292-M322 HydrophobicContact CG2-CB 4.11Å; V292-M322 HydrophobicContact CG2-CE 4.02Å; T295-M322 HydrophobicContact CG2-CE 4.23Å; M318-M322 VanDerWaalsContact O-CG 3.23Å; M318-M322 WeakPolarHBondContact O-CG 3.33Å; M318-M322 PolarHBondContact O-N 2.95Å; L319-M322 PolarHBondContact O-N 3.46Å; M322-L326 VanDerWaalsContact O-CB 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.31Å; M322-L326 PolarHBondContact O-N 2.65Å; M322-I365 HydrophobicContact CB-CG1 4.25Å; M322-I365 HydrophobicContact CB-CG2 4.33Å; M322-I365 HydrophobicContact CE-CG2 3.84Å; M322-I365 HydrophobicContact CG-CG1 4.32Å; M322-I365 HydrophobicContact CG-CG2 4.35Å; M322-I365 WeakPolarHBondContact O-CD1 3.07Å; M322-Q368 HydrophobicContact CG-CB 4.34Å; M322-Q368 VanDerWaalsContact CG-OE1 3.3Å; M322-Q368 HydrophobicContact SD-CB 4.02Å; M322-A369 HydrophobicContact CE-CB 3.92Å; M322-M372 HydrophobicContact SD-SD 3.69Å; M322-M372 VanDerWaalsContact SD-SD 3.69Å
323	A	98.9	Very high	98.9	Very high	17 Å²	17	58.4 Å²	58.4	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-44.6	178.8	0	0	0	0	0	112.1	I35 L319 A320 D321 L326 V327	I35-A323 HydrophobicContact CG2-CB 3.7Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 3.16Å; A320-A323 PolarHBondContact O-N 3.34Å; D321-A323 PolarHBondContact O-N 3.01Å; A323-L326 PolarHBondContact O-N 2.8Å; A323-V327 WeakPolarHBondContact O-CG2 3.45Å; A323-V327 PolarHBondContact O-N 3.37Å; A323-V327 VanDerWaalsContact O-N 3.08Å
324	T	98.9	Very high	98.9	Very high	95 Å²	95	53.5 Å²	53.5	58%	0.583	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-49	178.9	-59.5	0	0	0	0	111.5	A320 D321 L326 V327 A328	A320-T324 WeakPolarHBondContact O-CB 3.28Å; A320-T324 PolarHBondContact O-N 2.9Å; A320-T324 PolarHBondContact O-OG1 3.22Å; D321-T324 PolarHBondContact O-N 2.96Å; T324-L326 PolarHBondContact O-N 3.39Å; T324-V327 PolarHBondContact O-N 2.9Å; T324-A328 PolarHBondContact O-N 3.47Å
325	R	98.9	Very high	98.9	Very high	96 Å²	96	48.9 Å²	48.9	36%	0.362	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-36.6	-179.5	-70.2	164.7	-178	-75.7	-4.1	112	D321 A328 A329 E361 I365	D321-R325 WeakPolarHBondContact O-CB 3.46Å; D321-R325 WeakPolarHBondContact O-CD 3.22Å; D321-R325 VanDerWaalsContact O-CG 3.28Å; D321-R325 WeakPolarHBondContact O-CG 3.15Å; D321-R325 PolarHBondContact O-N 3.37Å; R325-A328 PolarHBondContact O-N 3.49Å; R325-A329 WeakPolarHBondContact O-CB 3.48Å; R325-A329 PolarHBondContact O-N 2.96Å; R325-E361 HydrophobicContact CB-CB 4.49Å; R325-E361 WeakPolarHBondContact CD-OE2 3.29Å; R325-E361 IonicContact CZ-OE2 3.77Å; R325-E361 IonicContact NE-OE2 3.44Å; R325-E361 IonicContact NH1-OE1 3.33Å; R325-E361 PolarHBondContact NH1-OE1 3.45Å; R325-E361 IonicContact NH1-OE2 2.83Å; R325-E361 PolarHBondContact NH1-OE2 2.84Å; R325-I365 HydrophobicContact CB-CD1 4.08Å
326	L	98.9	Very high	98.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-48.5	174	-178.1	72.6	0	0	0	111.6	I35 L285 A288 H289 V292 M322 A323 T324 A329 R330 I365	I35-L326 HydrophobicContact CB-CD2 4.35Å; I35-L326 HydrophobicContact CG2-CD2 4.41Å; L285-L326 HydrophobicContact CD1-CD1 3.53Å; L285-L326 HydrophobicContact CD1-CG 4.25Å; A288-L326 HydrophobicContact CB-CD1 3.67Å; H289-L326 HydrophobicContact CB-CD1 4.21Å; H289-L326 HydrophobicContact CB-CD2 4.19Å; V292-L326 HydrophobicContact CB-CD2 4.44Å; V292-L326 HydrophobicContact CG2-CD2 4.13Å; M322-L326 VanDerWaalsContact O-CB 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.31Å; M322-L326 PolarHBondContact O-N 2.65Å; A323-L326 PolarHBondContact O-N 2.8Å; T324-L326 PolarHBondContact O-N 3.39Å; L326-A329 PolarHBondContact O-N 3.37Å; L326-R330 PolarHBondContact O-N 2.9Å; L326-I365 HydrophobicContact CB-CD1 4.01Å
327	V	98.9	Very high	98.9	Very high	46 Å²	46	42.7 Å²	42.7	28%	0.279	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-44.6	178.7	172.6	0	0	0	0	110.6	I35 A323 T324 A329 R330 L331	I35-V327 HydrophobicContact CB-CG2 4.48Å; I35-V327 HydrophobicContact CG2-CG2 4.03Å; A323-V327 WeakPolarHBondContact O-CG2 3.45Å; A323-V327 PolarHBondContact O-N 3.37Å; A323-V327 VanDerWaalsContact O-N 3.08Å; T324-V327 PolarHBondContact O-N 2.9Å; V327-A329 VanDerWaalsContact C-N 3.33Å; V327-A329 PolarHBondContact O-N 2.9Å; V327-R330 PolarHBondContact O-N 3.21Å; V327-L331 HydrophobicContact CG1-CD1 4.15Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.38Å; V327-L331 PolarHBondContact O-N 3.44Å
328	A	98.9	Very high	98.9	Very high	34 Å²	34	38.1 Å²	38.1	28%	0.281	21%	0.213	S	C	.	.	H	α-helix	trans	-58.1	-44.6	175.6	0	0	0	0	0	112	T324 R325 L331 M332 F357	T324-A328 PolarHBondContact O-N 3.47Å; R325-A328 PolarHBondContact O-N 3.49Å; A328-L331 PolarHBondContact O-N 2.88Å; A328-M332 VanDerWaalsContact O-CG 3.31Å; A328-M332 WeakPolarHBondContact O-CG 3.31Å; A328-M332 PolarHBondContact O-N 3.18Å; A328-F357 HydrophobicContact CB-CE1 3.85Å; A328-F357 HydrophobicContact CB-CZ 3.93Å
329	A	98.9	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-43.6	178	0	0	0	0	0	111.7	L285 R325 L326 V327 L331 M332 I333 F357 A358	L285-A329 HydrophobicContact CD1-CB 4.36Å; R325-A329 WeakPolarHBondContact O-CB 3.48Å; R325-A329 PolarHBondContact O-N 2.96Å; L326-A329 PolarHBondContact O-N 3.37Å; V327-A329 VanDerWaalsContact C-N 3.33Å; V327-A329 PolarHBondContact O-N 2.9Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 2.83Å; A329-M332 PolarHBondContact O-N 3.39Å; A329-I333 WeakPolarHBondContact O-CD1 3.46Å; A329-I333 VanDerWaalsContact O-CG1 3.28Å; A329-I333 WeakPolarHBondContact O-CG1 3.49Å; A329-I333 PolarHBondContact O-N 2.99Å; A329-F357 HydrophobicContact CB-CD1 4.22Å; A329-F357 HydrophobicContact CB-CE1 4.13Å; A329-A358 HydrophobicContact CB-CB 4.08Å
330	R	98.9	Very high	98.8	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.045	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-45	176.4	-176.8	172.8	-67.7	139.7	0.4	112.1	I35 E110 L285 H289 L326 V327 I333 R334	I35-R330 PolarHBondContact O-NH1 2.82Å; E110-R330 IonicContact OE1-CZ 3.73Å; E110-R330 IonicContact OE1-NE 3.81Å; E110-R330 PolarHBondContact OE1-NE 3.17Å; E110-R330 IonicContact OE1-NH2 2.81Å; E110-R330 PolarHBondContact OE1-NH2 2.93Å; E110-R330 IonicContact OE2-NE 2.71Å; L285-R330 HydrophobicContact CD1-CB 3.89Å; L285-R330 HydrophobicContact CD2-CB 3.77Å; L285-R330 HydrophobicContact CD2-CG 3.82Å; L285-R330 HydrophobicContact CG-CB 4.47Å; H289-R330 PolarHBondContact CD2-NH2 3.08Å; H289-R330 VanDerWaalsContact CD2-NH2 3.3Å; L326-R330 PolarHBondContact O-N 2.9Å; V327-R330 PolarHBondContact O-N 3.21Å; R330-I333 PolarHBondContact O-N 2.96Å; R330-R334 WeakPolarHBondContact O-CB 3.23Å; R330-R334 WeakPolarHBondContact O-CG 3.34Å; R330-R334 PolarHBondContact O-N 2.76Å
331	L	98.9	Very high	98.8	Very high	117 Å²	117	37.8 Å²	37.8	61%	0.613	20%	0.202	S	C	*	.	H	α-helix	trans	-63.3	-43.7	178.3	-67.7	173.4	0	0	0	111.6	V327 A328 A329 I333 R334 N335	V327-L331 HydrophobicContact CG1-CD1 4.15Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.38Å; V327-L331 PolarHBondContact O-N 3.44Å; A328-L331 PolarHBondContact O-N 2.88Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 2.83Å; L331-I333 PolarHBondContact O-N 3.4Å; L331-R334 PolarHBondContact O-N 2.99Å; L331-N335 VanDerWaalsContact O-CB 3.26Å; L331-N335 WeakPolarHBondContact O-CB 3.39Å; L331-N335 PolarHBondContact O-N 3.19Å
332	M	98.9	Very high	98.7	Very high	62 Å²	62	39.6 Å²	39.6	31%	0.305	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-46	177.3	-71.9	-75	-76.1	0	0	112	A328 A329 A336 M353 A354 F357	A328-M332 VanDerWaalsContact O-CG 3.31Å; A328-M332 WeakPolarHBondContact O-CG 3.31Å; A328-M332 PolarHBondContact O-N 3.18Å; A329-M332 PolarHBondContact O-N 3.39Å; M332-A336 PolarHBondContact O-N 3.03Å; M332-M353 HydrophobicContact CE-CB 4.01Å; M332-A354 HydrophobicContact CB-CB 4.34Å; M332-F357 HydrophobicContact CE-CB 4.24Å; M332-F357 HydrophobicContact CG-CD1 4.11Å
333	I	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-49.5	178.9	-66.1	162.4	0	0	0	110.8	S106 I278 A281 L285 A329 R330 L331 N335 A336 A337 A358	S106-I333 WeakPolarHBondContact OG-CG2 3.45Å; I278-I333 HydrophobicContact CG2-CG2 4.15Å; A281-I333 HydrophobicContact CB-CD1 3.78Å; A281-I333 HydrophobicContact CB-CG1 3.69Å; A281-I333 WeakPolarHBondContact O-CD1 3.26Å; L285-I333 HydrophobicContact CB-CD1 3.91Å; L285-I333 HydrophobicContact CD2-CD1 3.96Å; L285-I333 HydrophobicContact CG-CD1 4.41Å; A329-I333 WeakPolarHBondContact O-CD1 3.46Å; A329-I333 VanDerWaalsContact O-CG1 3.28Å; A329-I333 WeakPolarHBondContact O-CG1 3.49Å; A329-I333 PolarHBondContact O-N 2.99Å; R330-I333 PolarHBondContact O-N 2.96Å; L331-I333 PolarHBondContact O-N 3.4Å; I333-N335 VanDerWaalsContact C-N 3.34Å; I333-N335 PolarHBondContact O-N 2.75Å; I333-A336 PolarHBondContact O-N 2.98Å; I333-A337 WeakPolarHBondContact O-CB 3.45Å; I333-A337 PolarHBondContact O-N 3.41Å; I333-A358 HydrophobicContact CD1-CB 3.64Å; I333-A358 HydrophobicContact CG1-CB 3.92Å
334	R	98.8	Very high	98.6	Very high	27 Å²	27	50.9 Å²	50.9	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-36.2	-177.9	-68.9	-175.9	-177.4	-178.9	1	112.3	P37 L39 L103 E110 R330 L331 A337 A338	P37-R334 PolarHBondContact O-NH1 3.09Å; P37-R334 VanDerWaalsContact O-NH1 3.09Å; P37-R334 PolarHBondContact O-NH2 3.49Å; L39-R334 PolarHBondContact O-NH1 3.31Å; L103-R334 HydrophobicContact CD1-CB 3.87Å; L103-R334 HydrophobicContact CD1-CG 3.69Å; E110-R334 IonicContact OE2-CZ 3.37Å; E110-R334 IonicContact OE2-NH2 2.94Å; E110-R334 PolarHBondContact OE2-NH2 3.02Å; R330-R334 WeakPolarHBondContact O-CB 3.23Å; R330-R334 WeakPolarHBondContact O-CG 3.34Å; R330-R334 PolarHBondContact O-N 2.76Å; L331-R334 PolarHBondContact O-N 2.99Å; R334-A337 PolarHBondContact O-N 3.5Å; R334-A338 WeakPolarHBondContact O-CB 3.39Å; R334-A338 PolarHBondContact O-N 3.47Å
335	N	98.8	Very high	98.4	Very high	72 Å²	72	56.3 Å²	56.3	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-44.1	172.8	179.9	32.2	0	0	0	111.8	L331 I333 A339 R344	L331-N335 VanDerWaalsContact O-CB 3.26Å; L331-N335 WeakPolarHBondContact O-CB 3.39Å; L331-N335 PolarHBondContact O-N 3.19Å; I333-N335 VanDerWaalsContact C-N 3.34Å; I333-N335 PolarHBondContact O-N 2.75Å; N335-A339 WeakPolarHBondContact O-CB 3.33Å; N335-A339 PolarHBondContact O-N 3.42Å; N335-R344 PolarHBondContact O-NH2 3.33Å; N335-R344 PolarHBondContact OD1-NH2 3.38Å
336	A	98.8	Very high	98.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-39.1	176.1	0	0	0	0	0	112.3	I278 M332 I333 A339 L340 L350 A354	I278-A336 HydrophobicContact CG1-CB 4.28Å; M332-A336 PolarHBondContact O-N 3.03Å; I333-A336 PolarHBondContact O-N 2.98Å; A336-A339 WeakPolarHBondContact O-CB 3.23Å; A336-A339 PolarHBondContact O-N 2.97Å; A336-L340 WeakPolarHBondContact O-CB 3.25Å; A336-L340 PolarHBondContact O-N 3.49Å; A336-L350 HydrophobicContact CB-CB 4.13Å; A336-A354 HydrophobicContact CB-CB 3.72Å
337	A	98.8	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-48.8	175.8	0	0	0	0	0	112	R102 L103 I278 I333 R334 A339 L340 Q341	R102-A337 HydrophobicContact CB-CB 4.26Å; R102-A337 WeakPolarHBondContact CB-O 3.32Å; L103-A337 HydrophobicContact CB-CB 4.45Å; I278-A337 HydrophobicContact CD1-CB 4.43Å; I278-A337 HydrophobicContact CG2-CB 4.05Å; I333-A337 WeakPolarHBondContact O-CB 3.45Å; I333-A337 PolarHBondContact O-N 3.41Å; R334-A337 PolarHBondContact O-N 3.5Å; A337-A339 VanDerWaalsContact C-N 3.32Å; A337-A339 PolarHBondContact O-N 2.97Å; A337-L340 PolarHBondContact O-N 2.96Å; A337-Q341 WeakPolarHBondContact O-CG 3.48Å; A337-Q341 PolarHBondContact O-N 2.9Å; A337-Q341 VanDerWaalsContact O-N 3.13Å
338	A	98.5	Very high	98.1	Very high	21 Å²	21	57.3 Å²	57.3	17%	0.174	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-44.3	173.4	0	0	0	0	0	111.4	R334 L340 Q341 E342	R334-A338 WeakPolarHBondContact O-CB 3.39Å; R334-A338 PolarHBondContact O-N 3.47Å; A338-L340 VanDerWaalsContact C-N 3.31Å; A338-L340 PolarHBondContact O-N 3.41Å; A338-Q341 WeakPolarHBondContact O-CG 3.48Å; A338-Q341 PolarHBondContact O-N 3.44Å; A338-E342 WeakPolarHBondContact O-CB 3.35Å; A338-E342 VanDerWaalsContact O-CG 3.28Å; A338-E342 WeakPolarHBondContact O-CG 3.28Å; A338-E342 PolarHBondContact O-N 3.26Å
339	A	98.7	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-42	177.6	0	0	0	0	0	113.6	N335 A336 A337 E343 R344 A347 L350	N335-A339 WeakPolarHBondContact O-CB 3.33Å; N335-A339 PolarHBondContact O-N 3.42Å; A336-A339 WeakPolarHBondContact O-CB 3.23Å; A336-A339 PolarHBondContact O-N 2.97Å; A337-A339 VanDerWaalsContact C-N 3.32Å; A337-A339 PolarHBondContact O-N 2.97Å; A339-E343 PolarHBondContact O-N 3.28Å; A339-R344 VanDerWaalsContact CA-NE 3.29Å; A339-R344 HydrophobicContact CB-CB 4.4Å; A339-R344 VanDerWaalsContact CB-NE 3.32Å; A339-R344 PolarHBondContact O-N 3.37Å; A339-A347 HydrophobicContact CB-CB 3.86Å; A339-A347 WeakPolarHBondContact O-CB 3.44Å; A339-L350 HydrophobicContact CB-CD1 3.63Å
340	L	98.4	Very high	98.1	Very high	33 Å²	33	58.2 Å²	58.2	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-71.5	-39.2	-176.1	-174.3	63.8	0	0	0	111.9	R102 N274 I278 A336 A337 A338 E343 A347	R102-L340 HydrophobicContact CG-CB 4.43Å; R102-L340 HydrophobicContact CG-CD2 4.2Å; R102-L340 HydrophobicContact CG-CG 4.32Å; N274-L340 HydrophobicContact CB-CD1 4.15Å; N274-L340 HydrophobicContact CB-CD2 4.18Å; I278-L340 HydrophobicContact CD1-CB 4.02Å; I278-L340 HydrophobicContact CD1-CD2 3.53Å; I278-L340 HydrophobicContact CD1-CG 4.42Å; A336-L340 WeakPolarHBondContact O-CB 3.25Å; A336-L340 PolarHBondContact O-N 3.49Å; A337-L340 PolarHBondContact O-N 2.96Å; A338-L340 VanDerWaalsContact C-N 3.31Å; A338-L340 PolarHBondContact O-N 3.41Å; L340-E343 PolarHBondContact O-N 3.41Å; L340-A347 HydrophobicContact CB-CB 4.48Å; L340-A347 HydrophobicContact CD1-CB 4.35Å
341	Q	97.6	Very high	98.1	Very high	81 Å²	81	57.7 Å²	57.7	38%	0.379	28%	0.282	S	S	.	.	H	α-helix	trans	-73.8	-27.6	177.3	66.6	-177.4	55.6	0	0	113.3	S101 R102 A337 A338 E343	S101-Q341 PolarHBondContact OG-OE1 3Å; R102-Q341 HydrophobicContact CB-CB 4.11Å; R102-Q341 HydrophobicContact CG-CB 4.06Å; A337-Q341 WeakPolarHBondContact O-CG 3.48Å; A337-Q341 PolarHBondContact O-N 2.9Å; A337-Q341 VanDerWaalsContact O-N 3.13Å; A338-Q341 WeakPolarHBondContact O-CG 3.48Å; A338-Q341 PolarHBondContact O-N 3.44Å; Q341-E343 PolarHBondContact O-N 3.36Å
342	E	98.3	Very high	98	Very high	119 Å²	119	52.1 Å²	52.1	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.7	175.1	-70	168.4	-171.8	0	0	112.7	A338 R344	A338-E342 WeakPolarHBondContact O-CB 3.35Å; A338-E342 VanDerWaalsContact O-CG 3.28Å; A338-E342 WeakPolarHBondContact O-CG 3.28Å; A338-E342 PolarHBondContact O-N 3.26Å; E342-R344 HydrophobicContact CB-CG 3.88Å; E342-R344 PolarHBondContact O-N 3.05Å; E342-R344 VanDerWaalsContact O-N 3.14Å; E342-R344 IonicContact OE2-NE 3.32Å
343	E	97.3	Very high	98	Very high	176 Å²	176	52.4 Å²	52.4	82%	0.822	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	33.5	-178	-55.8	-171.9	176.6	0	0	113.6	A339 L340 Q341	A339-E343 PolarHBondContact O-N 3.28Å; L340-E343 PolarHBondContact O-N 3.41Å; Q341-E343 PolarHBondContact O-N 3.36Å
344	R	98.1	Very high	98	Very high	78 Å²	78	52.4 Å²	52.4	29%	0.294	25%	0.254	S	S	.	.			trans	-63.6	144.8	179.2	-60.9	-163.4	-64.6	175	-18.9	110.9	N335 A339 E342 E346 A347	N335-R344 PolarHBondContact O-NH2 3.33Å; N335-R344 PolarHBondContact OD1-NH2 3.38Å; A339-R344 VanDerWaalsContact CA-NE 3.29Å; A339-R344 HydrophobicContact CB-CB 4.4Å; A339-R344 VanDerWaalsContact CB-NE 3.32Å; A339-R344 PolarHBondContact O-N 3.37Å; E342-R344 HydrophobicContact CB-CG 3.88Å; E342-R344 PolarHBondContact O-N 3.05Å; E342-R344 VanDerWaalsContact O-N 3.14Å; E342-R344 IonicContact OE2-NE 3.32Å; R344-E346 WeakPolarHBondContact CD-OE1 3.47Å; R344-E346 IonicContact CZ-OE1 2.94Å; R344-E346 IonicContact NE-OE1 3.21Å; R344-E346 PolarHBondContact NE-OE1 3.06Å; R344-E346 IonicContact NH1-OE1 2.78Å; R344-E346 PolarHBondContact NH1-OE1 2.89Å; R344-E346 VanDerWaalsContact NH1-OE1 3.13Å; R344-E346 PolarHBondContact O-N 3.49Å; R344-A347 WeakPolarHBondContact O-CB 3.28Å; R344-A347 PolarHBondContact O-N 3.31Å
345	K	95.3	Very high	98.1	Very high	208 Å²	208	51.1 Å²	51.1	90%	0.904	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-35.4	-175.7	-67.4	-176.1	179.4	179.2	0	112.3	A347	K345-A347 VanDerWaalsContact C-N 3.31Å; K345-A347 PolarHBondContact O-N 2.95Å
346	E	96	Very high	98.1	Very high	87 Å²	87	48.9 Å²	48.9	41%	0.407	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.2	-180	69	-84.9	-162.8	0	0	114	R344 V348 A349 L350	R344-E346 WeakPolarHBondContact CD-OE1 3.47Å; R344-E346 IonicContact CZ-OE1 2.94Å; R344-E346 IonicContact NE-OE1 3.21Å; R344-E346 PolarHBondContact NE-OE1 3.06Å; R344-E346 IonicContact NH1-OE1 2.78Å; R344-E346 PolarHBondContact NH1-OE1 2.89Å; R344-E346 VanDerWaalsContact NH1-OE1 3.13Å; R344-E346 PolarHBondContact O-N 3.49Å; E346-V348 VanDerWaalsContact C-N 3.29Å; E346-V348 PolarHBondContact O-N 3.22Å; E346-A349 PolarHBondContact O-N 3.45Å; E346-A349 VanDerWaalsContact O-N 3.08Å; E346-L350 HydrophobicContact CG-CD1 3.66Å; E346-L350 HydrophobicContact CG-CG 4.14Å; E346-L350 PolarHBondContact O-N 3.41Å
347	A	97.5	Very high	98.1	Very high	4 Å²	4	52 Å²	52	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-57.4	-38.7	-170.8	0	0	0	0	0	113.4	A339 L340 R344 K345 A349 L350 C351	A339-A347 HydrophobicContact CB-CB 3.86Å; A339-A347 WeakPolarHBondContact O-CB 3.44Å; L340-A347 HydrophobicContact CB-CB 4.48Å; L340-A347 HydrophobicContact CD1-CB 4.35Å; R344-A347 WeakPolarHBondContact O-CB 3.28Å; R344-A347 PolarHBondContact O-N 3.31Å; K345-A347 VanDerWaalsContact C-N 3.31Å; K345-A347 PolarHBondContact O-N 2.95Å; A347-A349 PolarHBondContact O-N 3.13Å; A347-L350 PolarHBondContact O-N 3.26Å; A347-C351 WeakPolarHBondContact O-CB 3.38Å; A347-C351 PolarHBondContact O-N 3.33Å; A347-C351 PolarHBondContact O-SG 3.39Å
348	V	96.6	Very high	98.1	Very high	73 Å²	73	52 Å²	52	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-41.8	179.5	179.7	0	0	0	0	111.6	E346 S352	E346-V348 VanDerWaalsContact C-N 3.29Å; E346-V348 PolarHBondContact O-N 3.22Å; V348-S352 PolarHBondContact O-N 3.48Å; V348-S352 PolarHBondContact O-OG 3.02Å
349	A	97.9	Very high	98.1	Very high	19 Å²	19	51 Å²	51	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-45.3	176.2	0	0	0	0	0	110.5	E346 A347 C351 S352 M353	E346-A349 PolarHBondContact O-N 3.45Å; E346-A349 VanDerWaalsContact O-N 3.08Å; A347-A349 PolarHBondContact O-N 3.13Å; A349-C351 PolarHBondContact O-N 3.45Å; A349-S352 WeakPolarHBondContact O-CB 3.37Å; A349-S352 PolarHBondContact O-N 3.3Å; A349-S352 VanDerWaalsContact O-N 3.11Å; A349-M353 WeakPolarHBondContact O-CG 3.47Å; A349-M353 PolarHBondContact O-N 3.14Å
350	L	98.7	Very high	98.1	Very high	34 Å²	34	53 Å²	53	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-40.7	177.4	-68.1	178.1	0	0	0	112.7	A336 A339 E346 A347 S352 M353 A354	A336-L350 HydrophobicContact CB-CB 4.13Å; A339-L350 HydrophobicContact CB-CD1 3.63Å; E346-L350 HydrophobicContact CG-CD1 3.66Å; E346-L350 HydrophobicContact CG-CG 4.14Å; E346-L350 PolarHBondContact O-N 3.41Å; A347-L350 PolarHBondContact O-N 3.26Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.24Å; L350-M353 HydrophobicContact CD2-SD 4.43Å; L350-M353 PolarHBondContact O-N 3.08Å; L350-A354 VanDerWaalsContact O-CB 3.27Å; L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 2.88Å
351	C	98.7	Very high	98.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-41.3	174.4	-67.4	0	0	0	0	111.5	R277 I278 A347 A349 K355	R277-C351 HydrophobicContact CB-CB 4.49Å; I278-C351 VanDerWaalsContact CD1-SG 3.57Å; A347-C351 WeakPolarHBondContact O-CB 3.38Å; A347-C351 PolarHBondContact O-N 3.33Å; A347-C351 PolarHBondContact O-SG 3.39Å; A349-C351 PolarHBondContact O-N 3.45Å; C351-K355 WeakPolarHBondContact O-CB 3.49Å; C351-K355 PolarHBondContact O-N 3.43Å
352	S	98.7	Very high	98.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-69.1	-43.3	179	-54.2	0	0	0	0	111.6	V348 A349 L350 L356	V348-S352 PolarHBondContact O-N 3.48Å; V348-S352 PolarHBondContact O-OG 3.02Å; A349-S352 WeakPolarHBondContact O-CB 3.37Å; A349-S352 PolarHBondContact O-N 3.3Å; A349-S352 VanDerWaalsContact O-N 3.11Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.24Å; S352-L356 VanDerWaalsContact O-CB 3.29Å; S352-L356 WeakPolarHBondContact O-CB 3.31Å; S352-L356 PolarHBondContact O-N 3.5Å
353	M	98.9	Very high	98.2	Very high	67 Å²	67	45.6 Å²	45.6	33%	0.33	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-45.5	176.1	-69.7	177	179.4	0	0	111.7	M332 A349 L350 L356 F357 I408	M332-M353 HydrophobicContact CE-CB 4.01Å; A349-M353 WeakPolarHBondContact O-CG 3.47Å; A349-M353 PolarHBondContact O-N 3.14Å; L350-M353 HydrophobicContact CD2-SD 4.43Å; L350-M353 PolarHBondContact O-N 3.08Å; M353-L356 PolarHBondContact O-N 2.83Å; M353-F357 VanDerWaalsContact O-CB 3.31Å; M353-F357 WeakPolarHBondContact O-CB 3.14Å; M353-F357 PolarHBondContact O-N 3.23Å; M353-I408 HydrophobicContact CB-CD1 4.33Å; M353-I408 HydrophobicContact CE-CG2 3.71Å; M353-I408 HydrophobicContact CG-CD1 3.74Å; M353-I408 HydrophobicContact CG-CG1 3.85Å; M353-I408 HydrophobicContact CG-CG2 4.27Å
354	A	98.8	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-46.2	178.6	0	0	0	0	0	111.5	M332 A336 L350 A358	M332-A354 HydrophobicContact CB-CB 4.34Å; A336-A354 HydrophobicContact CB-CB 3.72Å; L350-A354 VanDerWaalsContact O-CB 3.27Å; L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 2.88Å; A354-A358 WeakPolarHBondContact O-CB 3.49Å; A354-A358 PolarHBondContact O-N 2.9Å
355	K	98.9	Very high	98.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-46.9	177.1	-171.2	-90.6	177.3	-176.3	0	111.8	R277 I280 C351 T359 H394 L397 G399 N401 M404	R277-K355 HydrophobicContact CB-CB 3.9Å; R277-K355 HydrophobicContact CB-CG 4.11Å; R277-K355 HydrophobicContact CG-CB 4.17Å; R277-K355 HydrophobicContact CG-CG 4.11Å; I280-K355 HydrophobicContact CG2-CG 3.84Å; C351-K355 WeakPolarHBondContact O-CB 3.49Å; C351-K355 PolarHBondContact O-N 3.43Å; K355-T359 HydrophobicContact CD-CG2 4.31Å; K355-T359 HydrophobicContact CG-CG2 4.25Å; K355-T359 VanDerWaalsContact O-CB 3.31Å; K355-T359 WeakPolarHBondContact O-CB 3.38Å; K355-T359 WeakPolarHBondContact O-CG2 3.28Å; K355-T359 PolarHBondContact O-N 2.86Å; K355-T359 PolarHBondContact O-OG1 3Å; K355-H394 WeakPolarHBondContact CE-O 3.35Å; K355-H394 PolarHBondContact NZ-O 3.35Å; K355-L397 WeakPolarHBondContact CE-O 3.43Å; K355-L397 PolarHBondContact NZ-O 2.74Å; K355-G399 PolarHBondContact NZ-O 3.48Å; K355-N401 PolarHBondContact NZ-OD1 2.99Å; K355-M404 HydrophobicContact CB-SD 4.45Å; K355-M404 HydrophobicContact CD-CG 3.74Å; K355-M404 HydrophobicContact CD-SD 4.06Å
356	L	98.9	Very high	98.5	Very high	26 Å²	26	25 Å²	25	14%	0.136	13%	0.133	C	C	.	.	H	α-helix	trans	-56.5	-58.3	177.3	171.7	59.7	0	0	0	111.1	S352 M353 T359 D360 N401 M404 R405 I408	S352-L356 VanDerWaalsContact O-CB 3.29Å; S352-L356 WeakPolarHBondContact O-CB 3.31Å; S352-L356 PolarHBondContact O-N 3.5Å; M353-L356 PolarHBondContact O-N 2.83Å; L356-T359 PolarHBondContact O-OG1 3.43Å; L356-D360 PolarHBondContact O-N 3.16Å; L356-N401 HydrophobicContact CD1-CB 3.56Å; L356-M404 HydrophobicContact CB-CB 3.9Å; L356-M404 HydrophobicContact CB-CG 4.36Å; L356-R405 HydrophobicContact CD1-CG 4.3Å; L356-R405 HydrophobicContact CD2-CG 3.77Å; L356-I408 HydrophobicContact CB-CD1 4.43Å; L356-I408 HydrophobicContact CD2-CD1 3.71Å
357	F	98.9	Very high	98.7	Very high	65 Å²	65	24.3 Å²	24.3	29%	0.285	13%	0.132	S	C	.	.	H	α-helix	trans	-62.6	-52.1	-175.3	-176.7	-92.3	0	0	0	111.2	A328 A329 M332 M353 T359 D360 E361	A328-F357 HydrophobicContact CB-CE1 3.85Å; A328-F357 HydrophobicContact CB-CZ 3.93Å; A329-F357 HydrophobicContact CB-CD1 4.22Å; A329-F357 HydrophobicContact CB-CE1 4.13Å; M332-F357 HydrophobicContact CE-CB 4.24Å; M332-F357 HydrophobicContact CG-CD1 4.11Å; M353-F357 VanDerWaalsContact O-CB 3.31Å; M353-F357 WeakPolarHBondContact O-CB 3.14Å; M353-F357 PolarHBondContact O-N 3.23Å; F357-T359 PolarHBondContact O-N 3.28Å; F357-D360 PolarHBondContact O-N 3.16Å; F357-E361 HydrophobicContact CD1-CG 4.13Å; F357-E361 HydrophobicContact CD2-CG 4.19Å; F357-E361 HydrophobicContact CE1-CB 4.47Å; F357-E361 HydrophobicContact CE1-CG 3.86Å; F357-E361 HydrophobicContact CE2-CG 3.92Å; F357-E361 HydrophobicContact CG-CG 4.3Å; F357-E361 HydrophobicContact CZ-CG 3.75Å; F357-E361 WeakPolarHBondContact O-CB 3.34Å; F357-E361 WeakPolarHBondContact O-CG 3.15Å; F357-E361 PolarHBondContact O-N 3.44Å
358	A	98.9	Very high	98.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-41.1	-175.3	0	0	0	0	0	112.4	A281 A329 I333 A354 C362	A281-A358 HydrophobicContact CB-CB 3.92Å; A329-A358 HydrophobicContact CB-CB 4.08Å; I333-A358 HydrophobicContact CD1-CB 3.64Å; I333-A358 HydrophobicContact CG1-CB 3.92Å; A354-A358 WeakPolarHBondContact O-CB 3.49Å; A354-A358 PolarHBondContact O-N 2.9Å; A358-C362 WeakPolarHBondContact O-CB 3.26Å; A358-C362 PolarHBondContact O-N 2.93Å; A358-C362 PolarHBondContact O-SG 3.13Å
359	T	98.9	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.4	-34.5	-177.9	58.9	0	0	0	0	112.8	K355 L356 F357 F363 H394 N401	K355-T359 HydrophobicContact CD-CG2 4.31Å; K355-T359 HydrophobicContact CG-CG2 4.25Å; K355-T359 VanDerWaalsContact O-CB 3.31Å; K355-T359 WeakPolarHBondContact O-CB 3.38Å; K355-T359 WeakPolarHBondContact O-CG2 3.28Å; K355-T359 PolarHBondContact O-N 2.86Å; K355-T359 PolarHBondContact O-OG1 3Å; L356-T359 PolarHBondContact O-OG1 3.43Å; F357-T359 PolarHBondContact O-N 3.28Å; T359-F363 WeakPolarHBondContact O-CB 3.3Å; T359-F363 PolarHBondContact O-N 2.87Å; T359-H394 HydrophobicContact CG2-CB 3.74Å; T359-N401 PolarHBondContact OG1-ND2 3.46Å; T359-N401 PolarHBondContact OG1-OD1 3.36Å
360	D	98.9	Very high	98.9	Very high	42 Å²	42	22.7 Å²	22.7	23%	0.225	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-51.8	173	-81.2	-12.4	0	0	0	111	L356 F357 F363 A364 Q395 N401 R405	L356-D360 PolarHBondContact O-N 3.16Å; F357-D360 PolarHBondContact O-N 3.16Å; D360-F363 PolarHBondContact O-N 2.98Å; D360-A364 PolarHBondContact O-N 3.33Å; D360-Q395 PolarHBondContact OD1-NE2 2.89Å; D360-N401 VanDerWaalsContact CG-ND2 3.32Å; D360-N401 PolarHBondContact OD1-ND2 2.85Å; D360-R405 IonicContact OD2-NH2 2.67Å; D360-R405 PolarHBondContact OD2-NH2 3.17Å
361	E	98.9	Very high	98.9	Very high	35 Å²	35	28 Å²	28	16%	0.164	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-174.9	-63.9	-61.5	159.2	0	0	112.5	R325 F357 A364 I365	R325-E361 HydrophobicContact CB-CB 4.49Å; R325-E361 WeakPolarHBondContact CD-OE2 3.29Å; R325-E361 IonicContact CZ-OE2 3.77Å; R325-E361 IonicContact NE-OE2 3.44Å; R325-E361 IonicContact NH1-OE1 3.33Å; R325-E361 PolarHBondContact NH1-OE1 3.45Å; R325-E361 IonicContact NH1-OE2 2.83Å; R325-E361 PolarHBondContact NH1-OE2 2.84Å; F357-E361 HydrophobicContact CD1-CG 4.13Å; F357-E361 HydrophobicContact CD2-CG 4.19Å; F357-E361 HydrophobicContact CE1-CB 4.47Å; F357-E361 HydrophobicContact CE1-CG 3.86Å; F357-E361 HydrophobicContact CE2-CG 3.92Å; F357-E361 HydrophobicContact CG-CG 4.3Å; F357-E361 HydrophobicContact CZ-CG 3.75Å; F357-E361 WeakPolarHBondContact O-CB 3.34Å; F357-E361 WeakPolarHBondContact O-CG 3.15Å; F357-E361 PolarHBondContact O-N 3.44Å; E361-A364 WeakPolarHBondContact O-CB 3.46Å; E361-A364 PolarHBondContact O-N 3.25Å; E361-I365 VanDerWaalsContact O-CG1 3.26Å; E361-I365 WeakPolarHBondContact O-CG1 3.44Å; E361-I365 PolarHBondContact O-N 3.32Å
362	C	98.9	Very high	98.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-37.2	178.7	-67.6	0	0	0	0	112.1	S284 A288 A358 I365 C366	S284-C362 WeakPolarHBondContact O-CB 3.22Å; A288-C362 HydrophobicContact CB-CB 3.69Å; A358-C362 WeakPolarHBondContact O-CB 3.26Å; A358-C362 PolarHBondContact O-N 2.93Å; A358-C362 PolarHBondContact O-SG 3.13Å; C362-I365 PolarHBondContact O-N 2.89Å; C362-C366 PolarHBondContact O-N 2.9Å; C362-C366 PolarHBondContact O-SG 2.86Å
363	F	98.9	Very high	98.9	Very high	42 Å²	42	29.1 Å²	29.1	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-43.9	172.2	170	-101.9	0	0	0	111.2	T359 D360 I365 C366 N367 M388 R392	T359-F363 WeakPolarHBondContact O-CB 3.3Å; T359-F363 PolarHBondContact O-N 2.87Å; D360-F363 PolarHBondContact O-N 2.98Å; F363-I365 VanDerWaalsContact C-N 3.3Å; F363-I365 PolarHBondContact O-N 3.42Å; F363-C366 PolarHBondContact O-N 3.29Å; F363-N367 WeakPolarHBondContact O-CB 3.4Å; F363-N367 PolarHBondContact O-N 3.28Å; F363-M388 HydrophobicContact CE2-CG 3.87Å; F363-M388 HydrophobicContact CE2-SD 3.95Å; F363-R392 HydrophobicContact CD2-CB 3.94Å; F363-R392 HydrophobicContact CE2-CB 3.78Å; F363-R392 HydrophobicContact CE2-CG 4.19Å
364	A	98.9	Very high	98.9	Very high	29 Å²	29	27.8 Å²	27.8	24%	0.24	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-42.5	176.4	0	0	0	0	0	111.9	D360 E361 N367 Q368	D360-A364 PolarHBondContact O-N 3.33Å; E361-A364 WeakPolarHBondContact O-CB 3.46Å; E361-A364 PolarHBondContact O-N 3.25Å; A364-N367 PolarHBondContact O-N 3.41Å; A364-Q368 WeakPolarHBondContact O-CB 3.42Å; A364-Q368 VanDerWaalsContact O-CG 3.24Å; A364-Q368 WeakPolarHBondContact O-CG 3.27Å; A364-Q368 PolarHBondContact O-N 2.9Å; A364-Q368 PolarHBondContact O-NE2 3.03Å
365	I	98.9	Very high	98.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-49.3	174.3	-69.9	164	0	0	0	111.3	A288 V292 M322 R325 L326 E361 C362 F363 N367 Q368 A369	A288-I365 HydrophobicContact CB-CB 4.14Å; A288-I365 HydrophobicContact CB-CD1 4.21Å; A288-I365 HydrophobicContact CB-CG2 3.91Å; V292-I365 HydrophobicContact CG2-CG2 3.57Å; M322-I365 HydrophobicContact CB-CG1 4.25Å; M322-I365 HydrophobicContact CB-CG2 4.33Å; M322-I365 HydrophobicContact CE-CG2 3.84Å; M322-I365 HydrophobicContact CG-CG1 4.32Å; M322-I365 HydrophobicContact CG-CG2 4.35Å; M322-I365 WeakPolarHBondContact O-CD1 3.07Å; R325-I365 HydrophobicContact CB-CD1 4.08Å; L326-I365 HydrophobicContact CB-CD1 4.01Å; E361-I365 VanDerWaalsContact O-CG1 3.26Å; E361-I365 WeakPolarHBondContact O-CG1 3.44Å; E361-I365 PolarHBondContact O-N 3.32Å; C362-I365 PolarHBondContact O-N 2.89Å; F363-I365 VanDerWaalsContact C-N 3.3Å; F363-I365 PolarHBondContact O-N 3.42Å; I365-N367 VanDerWaalsContact C-N 3.3Å; I365-N367 PolarHBondContact O-N 3.05Å; I365-Q368 PolarHBondContact O-N 3.31Å; I365-A369 WeakPolarHBondContact O-CB 3.47Å; I365-A369 PolarHBondContact O-N 3.09Å
366	C	98.9	Very high	98.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-39.1	179.8	-63.6	0	0	0	0	111.8	C362 F363 A369 L370 M388	C362-C366 PolarHBondContact O-N 2.9Å; C362-C366 PolarHBondContact O-SG 2.86Å; F363-C366 PolarHBondContact O-N 3.29Å; C366-A369 WeakPolarHBondContact O-CB 3.36Å; C366-A369 PolarHBondContact O-N 2.95Å; C366-L370 PolarHBondContact O-N 3.21Å; C366-M388 HydrophobicContact CB-CB 4.18Å
367	N	98.9	Very high	98.9	Very high	73 Å²	73	33.6 Å²	33.6	39%	0.39	19%	0.189	S	C	.	.	H	α-helix	trans	-68.5	-38.7	176.7	-171.3	55.5	0	0	0	112.5	F363 A364 I365 L370 Q371 M388	F363-N367 WeakPolarHBondContact O-CB 3.4Å; F363-N367 PolarHBondContact O-N 3.28Å; A364-N367 PolarHBondContact O-N 3.41Å; I365-N367 VanDerWaalsContact C-N 3.3Å; I365-N367 PolarHBondContact O-N 3.05Å; N367-L370 WeakPolarHBondContact O-CB 3.38Å; N367-L370 PolarHBondContact O-N 3.01Å; N367-Q371 PolarHBondContact O-N 3.3Å; N367-Q371 VanDerWaalsContact O-N 3.1Å; N367-M388 HydrophobicContact CB-CG 4.24Å
368	Q	98.9	Very high	98.9	Very high	42 Å²	42	39.3 Å²	39.3	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-39.5	173.6	-72.1	163.5	37.5	0	0	111.4	M318 M322 A364 I365 L370 Q371 M372	M318-Q368 HydrophobicContact CE-CB 4.26Å; M318-Q368 VanDerWaalsContact CE-CD 3.46Å; M318-Q368 HydrophobicContact CE-CG 3.62Å; M318-Q368 VanDerWaalsContact CE-OE1 3.24Å; M322-Q368 HydrophobicContact CG-CB 4.34Å; M322-Q368 VanDerWaalsContact CG-OE1 3.3Å; M322-Q368 HydrophobicContact SD-CB 4.02Å; A364-Q368 WeakPolarHBondContact O-CB 3.42Å; A364-Q368 VanDerWaalsContact O-CG 3.24Å; A364-Q368 WeakPolarHBondContact O-CG 3.27Å; A364-Q368 PolarHBondContact O-N 2.9Å; A364-Q368 PolarHBondContact O-NE2 3.03Å; I365-Q368 PolarHBondContact O-N 3.31Å; Q368-L370 VanDerWaalsContact C-N 3.28Å; Q368-L370 PolarHBondContact O-N 3Å; Q368-Q371 WeakPolarHBondContact O-CB 3.42Å; Q368-Q371 PolarHBondContact O-N 2.67Å; Q368-Q371 VanDerWaalsContact O-N 3.11Å; Q368-M372 VanDerWaalsContact O-CG 3.26Å; Q368-M372 WeakPolarHBondContact O-CG 3.36Å; Q368-M372 PolarHBondContact O-N 2.77Å
369	A	98.9	Very high	98.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-41.4	173.6	0	0	0	0	0	111.4	T295 M322 I365 C366 M372 H373 V384	T295-A369 WeakPolarHBondContact OG1-CA 3.34Å; T295-A369 WeakPolarHBondContact OG1-CB 3.46Å; M322-A369 HydrophobicContact CE-CB 3.92Å; I365-A369 WeakPolarHBondContact O-CB 3.47Å; I365-A369 PolarHBondContact O-N 3.09Å; C366-A369 WeakPolarHBondContact O-CB 3.36Å; C366-A369 PolarHBondContact O-N 2.95Å; A369-M372 PolarHBondContact O-N 3.35Å; A369-H373 PolarHBondContact O-N 3.17Å; A369-H373 PolarHBondContact O-ND1 3.48Å; A369-V384 VanDerWaalsContact C-CG2 3.45Å; A369-V384 HydrophobicContact CB-CG2 3.37Å
370	L	98.9	Very high	98.8	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-50.1	173.1	-176.3	158.3	0	0	0	110.6	C366 N367 Q368 M372 H373 G374 G377 V384 Q385 M388	C366-L370 PolarHBondContact O-N 3.21Å; N367-L370 WeakPolarHBondContact O-CB 3.38Å; N367-L370 PolarHBondContact O-N 3.01Å; Q368-L370 VanDerWaalsContact C-N 3.28Å; Q368-L370 PolarHBondContact O-N 3Å; L370-M372 VanDerWaalsContact C-N 3.29Å; L370-M372 PolarHBondContact O-N 3.09Å; L370-H373 PolarHBondContact O-N 3.02Å; L370-H373 VanDerWaalsContact O-N 3.14Å; L370-G374 PolarHBondContact O-N 2.6Å; L370-G377 WeakPolarHBondContact CG-O 3.39Å; L370-V384 HydrophobicContact CB-CG2 4.32Å; L370-V384 VanDerWaalsContact N-CG2 3.32Å; L370-Q385 HydrophobicContact CD1-CB 4.23Å; L370-M388 HydrophobicContact CD1-CE 3.65Å
371	Q	98.9	Very high	98.8	Very high	146 Å²	146	52.7 Å²	52.7	68%	0.682	28%	0.277	S	S	*	.	H	α-helix	trans	-57.3	-41.3	177.4	-175.6	64.5	23.4	0	0	112.3	N367 Q368 H373 G374	N367-Q371 PolarHBondContact O-N 3.3Å; N367-Q371 VanDerWaalsContact O-N 3.1Å; Q368-Q371 WeakPolarHBondContact O-CB 3.42Å; Q368-Q371 PolarHBondContact O-N 2.67Å; Q368-Q371 VanDerWaalsContact O-N 3.11Å; Q371-H373 PolarHBondContact O-N 3.4Å; Q371-G374 PolarHBondContact O-N 2.92Å
372	M	98.8	Very high	98.8	Very high	13 Å²	13	55.1 Å²	55.1	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-73.8	-12.3	-178	-66	179.9	83.1	0	0	113.8	T295 H298 L299 L315 M318 L319 M322 Q368 A369 L370	T295-M372 HydrophobicContact CG2-CB 3.75Å; T295-M372 HydrophobicContact CG2-CE 3.8Å; T295-M372 HydrophobicContact CG2-CG 4.23Å; T295-M372 HydrophobicContact CG2-SD 3.48Å; T295-M372 WeakPolarHBondContact CG2-SD 3.38Å; H298-M372 PolarHBondContact CE1-O 2.73Å; H298-M372 VanDerWaalsContact CE1-O 3.3Å; H298-M372 PolarHBondContact ND1-O 2.96Å; H298-M372 VanDerWaalsContact ND1-O 3.12Å; L299-M372 HydrophobicContact CD1-CE 3.31Å; L299-M372 HydrophobicContact CD2-CE 3.93Å; L299-M372 HydrophobicContact CG-CE 4.04Å; L315-M372 HydrophobicContact CB-CE 3.96Å; L315-M372 HydrophobicContact CD2-CE 4.11Å; L315-M372 HydrophobicContact CD2-CG 4.47Å; L315-M372 VanDerWaalsContact O-CE 3.28Å; L315-M372 WeakPolarHBondContact O-CE 3.22Å; M318-M372 HydrophobicContact CB-CE 4.13Å; M318-M372 HydrophobicContact CB-SD 4Å; L319-M372 HydrophobicContact CB-CE 4.48Å; M322-M372 HydrophobicContact SD-SD 3.69Å; M322-M372 VanDerWaalsContact SD-SD 3.69Å; Q368-M372 VanDerWaalsContact O-CG 3.26Å; Q368-M372 WeakPolarHBondContact O-CG 3.36Å; Q368-M372 PolarHBondContact O-N 2.77Å; A369-M372 PolarHBondContact O-N 3.35Å; L370-M372 VanDerWaalsContact C-N 3.29Å; L370-M372 PolarHBondContact O-N 3.09Å
373	H	98.9	Very high	98.8	Very high	11 Å²	11	56.6 Å²	56.6	5%	0.051	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.5	167.5	-71.7	70.7	0	0	0	112.8	H298 A369 L370 Q371 G375 Y376 G377 Y382 V384	H298-H373 AromaticContact CD2-CD2 4Å; H298-H373 AromaticContact CG-CD2 3.83Å; H298-H373 AromaticContact CG-NE2 3.94Å; A369-H373 PolarHBondContact O-N 3.17Å; A369-H373 PolarHBondContact O-ND1 3.48Å; L370-H373 PolarHBondContact O-N 3.02Å; L370-H373 VanDerWaalsContact O-N 3.14Å; Q371-H373 PolarHBondContact O-N 3.4Å; H373-G375 PolarHBondContact O-N 2.82Å; H373-Y376 WeakPolarHBondContact O-CB 3.42Å; H373-Y376 PolarHBondContact O-N 3.21Å; H373-G377 PolarHBondContact O-N 2.97Å; H373-Y382 AromaticContact CD2-CD1 3.98Å; H373-V384 HydrophobicContact CB-CG1 4.44Å
374	G	98.7	Very high	98.7	Very high	40 Å²	40	54.7 Å²	54.7	41%	0.412	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	56.2	-136.5	-179.4	0	0	0	0	0	112.1	L370 Q371 Y376 G377	L370-G374 PolarHBondContact O-N 2.6Å; Q371-G374 PolarHBondContact O-N 2.92Å; G374-Y376 PolarHBondContact O-N 3.48Å; G374-G377 PolarHBondContact O-N 2.96Å
375	G	98.7	Very high	98.7	Very high	62 Å²	62	54 Å²	54	64%	0.639	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-56.7	-34.3	179.3	0	0	0	0	0	114	H373 G377 Y378	H373-G375 PolarHBondContact O-N 2.82Å; G375-G377 VanDerWaalsContact C-N 3.28Å; G375-G377 PolarHBondContact O-N 3.3Å; G375-Y378 PolarHBondContact O-N 3.21Å
376	Y	98.7	Very high	98.7	Very high	85 Å²	85	54.2 Å²	54.2	33%	0.333	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.6	-33.5	176.7	-61.2	-81.9	0	0	0	112.3	R302 H373 G374 Y378 L379 Y382	R302-Y376 PolarHBondContact NH1-OH 3.12Å; H373-Y376 WeakPolarHBondContact O-CB 3.42Å; H373-Y376 PolarHBondContact O-N 3.21Å; G374-Y376 PolarHBondContact O-N 3.48Å; Y376-Y378 PolarHBondContact O-N 3.15Å; Y376-Y378 VanDerWaalsContact O-N 3.11Å; Y376-L379 HydrophobicContact CD1-CD1 4.24Å; Y376-L379 WeakPolarHBondContact O-CB 3.5Å; Y376-L379 PolarHBondContact O-N 3.06Å; Y376-Y382 AromaticContact CD1-CE2 3.59Å; Y376-Y382 HydrophobicContact CD1-CE2 3.59Å; Y376-Y382 AromaticContact CD1-CZ 3.62Å; Y376-Y382 WeakPolarHBondContact CD1-OH 3.42Å; Y376-Y382 HydrophobicContact CG-CE1 4.5Å; Y376-Y382 HydrophobicContact CG-CE2 4.06Å; Y376-Y382 AromaticContact CG-CZ 3.91Å; Y376-Y382 WeakPolarHBondContact O-CB 3.23Å; Y376-Y382 WeakPolarHBondContact O-CD2 3.04Å
377	G	98.7	Very high	98.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60.7	-20.5	176.4	0	0	0	0	0	113.1	L370 H373 G374 G375 Q385	L370-G377 WeakPolarHBondContact CG-O 3.39Å; H373-G377 PolarHBondContact O-N 2.97Å; G374-G377 PolarHBondContact O-N 2.96Å; G375-G377 VanDerWaalsContact C-N 3.28Å; G375-G377 PolarHBondContact O-N 3.3Å; G377-Q385 WeakPolarHBondContact O-CB 3.49Å
378	Y	98.8	Very high	98.7	Very high	185 Å²	185	53.1 Å²	53.1	73%	0.725	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-93	-9.7	177.7	-154.9	-113.6	0	0	0	113.5	G375 Y376	G375-Y378 PolarHBondContact O-N 3.21Å; Y376-Y378 PolarHBondContact O-N 3.15Å; Y376-Y378 VanDerWaalsContact O-N 3.11Å
379	L	98.7	Very high	98.7	Very high	82 Å²	82	52.3 Å²	52.3	43%	0.429	27%	0.27	S	S	.	.	S	Bend	trans	-84.1	141.1	178.9	-56.6	-178.6	0	0	0	110.8	Y376 D381 Y382	Y376-L379 HydrophobicContact CD1-CD1 4.24Å; Y376-L379 WeakPolarHBondContact O-CB 3.5Å; Y376-L379 PolarHBondContact O-N 3.06Å; L379-D381 PolarHBondContact O-N 3.15Å; L379-Y382 HydrophobicContact CB-CD2 4.29Å; L379-Y382 PolarHBondContact O-N 3.31Å; L379-Y382 VanDerWaalsContact O-N 3.13Å
380	K	98.4	Very high	98.7	Very high	92 Å²	92	52.3 Å²	52.3	40%	0.4	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.2	179.6	-75	-91.2	-178.5	142	0	113.8	D68 Y382 Q385	D68-K380 IonicContact OD2-NZ 2.8Å; D68-K380 PolarHBondContact OD2-NZ 2.93Å; K380-Y382 PolarHBondContact O-N 3.36Å; K380-Q385 VanDerWaalsContact CE-NE2 3.35Å
381	D	98.2	Very high	98.7	Very high	150 Å²	150	51.4 Å²	51.4	80%	0.802	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.8	174.6	-56.7	-43.4	0	0	0	112.9	L379	L379-D381 PolarHBondContact O-N 3.15Å
382	Y	98.5	Very high	98.7	Very high	85 Å²	85	49.4 Å²	49.4	33%	0.333	25%	0.251	S	S	.	.	S	Bend	trans	-106	121.2	178.7	-73.2	-103	0	0	0	110.5	H373 Y376 L379 K380 V384 Q385	H373-Y382 AromaticContact CD2-CD1 3.98Å; Y376-Y382 AromaticContact CD1-CE2 3.59Å; Y376-Y382 HydrophobicContact CD1-CE2 3.59Å; Y376-Y382 AromaticContact CD1-CZ 3.62Å; Y376-Y382 WeakPolarHBondContact CD1-OH 3.42Å; Y376-Y382 HydrophobicContact CG-CE1 4.5Å; Y376-Y382 HydrophobicContact CG-CE2 4.06Å; Y376-Y382 AromaticContact CG-CZ 3.91Å; Y376-Y382 WeakPolarHBondContact O-CB 3.23Å; Y376-Y382 WeakPolarHBondContact O-CD2 3.04Å; L379-Y382 HydrophobicContact CB-CD2 4.29Å; L379-Y382 PolarHBondContact O-N 3.31Å; L379-Y382 VanDerWaalsContact O-N 3.13Å; K380-Y382 PolarHBondContact O-N 3.36Å; Y382-V384 PolarHBondContact O-N 3.42Å; Y382-Q385 WeakPolarHBondContact O-CG 3.48Å
383	A	98.6	Very high	98.7	Very high	32 Å²	32	50.5 Å²	50.5	26%	0.264	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.3	-176	0	0	0	0	0	114.9	M64 L294 Q385 Q386 Y387	M64-A383 HydrophobicContact CE-CB 3.57Å; L294-A383 HydrophobicContact CD1-CB 4.1Å; A383-Q385 VanDerWaalsContact C-N 3.27Å; A383-Q385 PolarHBondContact O-N 3.41Å; A383-Q386 WeakPolarHBondContact O-CB 3.43Å; A383-Q386 PolarHBondContact O-N 3.33Å; A383-Y387 HydrophobicContact CB-CD2 4.43Å; A383-Y387 HydrophobicContact CB-CE2 3.84Å; A383-Y387 PolarHBondContact O-N 3Å
384	V	98.6	Very high	98.7	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-37.1	-172.1	69.4	0	0	0	0	114	A369 L370 H373 Y382 Q386 Y387 M388	A369-V384 VanDerWaalsContact C-CG2 3.45Å; A369-V384 HydrophobicContact CB-CG2 3.37Å; L370-V384 HydrophobicContact CB-CG2 4.32Å; L370-V384 VanDerWaalsContact N-CG2 3.32Å; H373-V384 HydrophobicContact CB-CG1 4.44Å; Y382-V384 PolarHBondContact O-N 3.42Å; V384-Q386 VanDerWaalsContact C-N 3.29Å; V384-Q386 PolarHBondContact O-N 2.99Å; V384-Y387 PolarHBondContact O-N 3.47Å; V384-M388 PolarHBondContact O-N 2.83Å; V384-M388 VanDerWaalsContact O-N 3.09Å
385	Q	98.8	Very high	98.7	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.065	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-31.5	176.3	60.1	103.9	-83.7	0	0	113.1	L370 G377 K380 Y382 A383 M388 R389	L370-Q385 HydrophobicContact CD1-CB 4.23Å; G377-Q385 WeakPolarHBondContact O-CB 3.49Å; K380-Q385 VanDerWaalsContact CE-NE2 3.35Å; Y382-Q385 WeakPolarHBondContact O-CG 3.48Å; A383-Q385 VanDerWaalsContact C-N 3.27Å; A383-Q385 PolarHBondContact O-N 3.41Å; Q385-M388 PolarHBondContact O-N 3.08Å; Q385-R389 VanDerWaalsContact O-CG 3.31Å; Q385-R389 WeakPolarHBondContact O-CG 3.42Å; Q385-R389 PolarHBondContact O-N 3.35Å
386	Q	98.9	Very high	98.7	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.023	24%	0.235	C	C	.	.	H	α-helix	trans	-75.5	-40.8	179.8	-177	167.7	-15.1	0	0	109.6	M64 A383 V384 M388 R389 D390	M64-Q386 HydrophobicContact CE-CB 4.18Å; M64-Q386 HydrophobicContact CE-CG 4.46Å; M64-Q386 VanDerWaalsContact CG-NE2 3.3Å; M64-Q386 HydrophobicContact SD-CG 4.31Å; A383-Q386 WeakPolarHBondContact O-CB 3.43Å; A383-Q386 PolarHBondContact O-N 3.33Å; V384-Q386 VanDerWaalsContact C-N 3.29Å; V384-Q386 PolarHBondContact O-N 2.99Å; Q386-M388 VanDerWaalsContact C-N 3.27Å; Q386-M388 PolarHBondContact O-N 2.97Å; Q386-R389 PolarHBondContact O-N 2.99Å; Q386-D390 WeakPolarHBondContact CG-OD2 3.36Å; Q386-D390 PolarHBondContact NE2-OD2 3.44Å; Q386-D390 VanDerWaalsContact O-CB 3.28Å; Q386-D390 WeakPolarHBondContact O-CB 3.39Å; Q386-D390 PolarHBondContact O-N 2.91Å
387	Y	98.9	Very high	98.6	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-43.4	170.6	-65.7	-48	0	0	0	111.8	M64 T114 T117 A287 A290 L294 A383 V384 S391	M64-Y387 HydrophobicContact SD-CE1 4.15Å; T114-Y387 PolarHBondContact O-OH 2.96Å; T117-Y387 WeakPolarHBondContact OG1-CD1 3.44Å; A287-Y387 HydrophobicContact CB-CD1 3.74Å; A287-Y387 HydrophobicContact CB-CG 4.18Å; A290-Y387 HydrophobicContact CB-CD2 4.35Å; A290-Y387 HydrophobicContact CB-CE1 4.33Å; A290-Y387 HydrophobicContact CB-CE2 3.67Å; L294-Y387 HydrophobicContact CD1-CE2 4.05Å; A383-Y387 HydrophobicContact CB-CD2 4.43Å; A383-Y387 HydrophobicContact CB-CE2 3.84Å; A383-Y387 PolarHBondContact O-N 3Å; V384-Y387 PolarHBondContact O-N 3.47Å; Y387-S391 WeakPolarHBondContact O-CB 3.48Å; Y387-S391 PolarHBondContact O-N 3.33Å; Y387-S391 PolarHBondContact O-OG 3.45Å; Y387-S391 VanDerWaalsContact O-OG 3.05Å
388	M	98.8	Very high	98.4	Very high	39 Å²	39	50.8 Å²	50.8	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-47.8	175.4	-177.2	-81.4	-78.3	0	0	112.4	F363 C366 N367 L370 V384 Q385 Q386 R392	F363-M388 HydrophobicContact CE2-CG 3.87Å; F363-M388 HydrophobicContact CE2-SD 3.95Å; C366-M388 HydrophobicContact CB-CB 4.18Å; N367-M388 HydrophobicContact CB-CG 4.24Å; L370-M388 HydrophobicContact CD1-CE 3.65Å; V384-M388 PolarHBondContact O-N 2.83Å; V384-M388 VanDerWaalsContact O-N 3.09Å; Q385-M388 PolarHBondContact O-N 3.08Å; Q386-M388 VanDerWaalsContact C-N 3.27Å; Q386-M388 PolarHBondContact O-N 2.97Å; M388-R392 WeakPolarHBondContact O-CB 3.26Å; M388-R392 PolarHBondContact O-N 3.06Å; M388-R392 VanDerWaalsContact O-N 3.16Å
389	R	98.9	Very high	98.3	Very high	26 Å²	26	43 Å²	43	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-43.1	179.4	-71.8	-178.9	-56.2	106.8	-2	112.3	D68 V236 N239 Q385 Q386	D68-R389 IonicContact OD1-CZ 3.85Å; D68-R389 IonicContact OD1-NH1 3.48Å; D68-R389 PolarHBondContact OD1-NH1 3.02Å; D68-R389 IonicContact OD1-NH2 2.76Å; D68-R389 PolarHBondContact OD1-NH2 3.31Å; D68-R389 VanDerWaalsContact OD1-NH2 3.14Å; D68-R389 IonicContact OD2-CZ 3.97Å; D68-R389 IonicContact OD2-NH1 2.84Å; D68-R389 PolarHBondContact OD2-NH1 3.45Å; D68-R389 IonicContact OD2-NH2 3.77Å; D68-R389 PolarHBondContact OD2-NH2 3.44Å; V236-R389 HydrophobicContact CG1-CB 4.23Å; V236-R389 HydrophobicContact CG1-CG 3.99Å; V236-R389 WeakPolarHBondContact O-CD 3.35Å; V236-R389 PolarHBondContact O-NH1 2.92Å; N239-R389 PolarHBondContact ND2-NH1 3.48Å; Q385-R389 VanDerWaalsContact O-CG 3.31Å; Q385-R389 WeakPolarHBondContact O-CG 3.42Å; Q385-R389 PolarHBondContact O-N 3.35Å; Q386-R389 PolarHBondContact O-N 2.99Å
390	D	98.9	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74	-40.3	-177.6	-72.9	-8.6	0	0	0	111.4	T117 S118 G237 W238 Q386 R392 V393 H394	T117-D390 HydrophobicContact CG2-CB 4.13Å; S118-D390 WeakPolarHBondContact CB-OD2 3.44Å; S118-D390 PolarHBondContact N-OD2 2.95Å; G237-D390 WeakPolarHBondContact CA-OD1 3.48Å; W238-D390 PolarHBondContact N-OD1 3.47Å; W238-D390 PolarHBondContact NE1-O 2.92Å; Q386-D390 WeakPolarHBondContact CG-OD2 3.36Å; Q386-D390 PolarHBondContact NE2-OD2 3.44Å; Q386-D390 VanDerWaalsContact O-CB 3.28Å; Q386-D390 WeakPolarHBondContact O-CB 3.39Å; Q386-D390 PolarHBondContact O-N 2.91Å; D390-R392 VanDerWaalsContact C-N 3.28Å; D390-R392 PolarHBondContact O-N 2.95Å; D390-V393 WeakPolarHBondContact O-CG1 3.45Å; D390-H394 PolarHBondContact O-CD2 3.12Å; D390-H394 PolarHBondContact O-NE2 3.46Å
391	S	98.8	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.7	-22.7	178.9	78.8	0	0	0	0	112.7	Y387 V393 H394	Y387-S391 WeakPolarHBondContact O-CB 3.48Å; Y387-S391 PolarHBondContact O-N 3.33Å; Y387-S391 PolarHBondContact O-OG 3.45Å; Y387-S391 VanDerWaalsContact O-OG 3.05Å; S391-V393 VanDerWaalsContact C-N 3.3Å; S391-V393 PolarHBondContact O-N 2.71Å; S391-H394 WeakPolarHBondContact O-CB 3.21Å; S391-H394 PolarHBondContact O-N 3.5Å
392	R	98.9	Very high	98.3	Very high	104 Å²	104	34.1 Å²	34.1	39%	0.392	17%	0.17	S	C	.	.	H	α-helix	trans	-58	-41.3	179.7	177.6	59.9	-169.9	89.3	-4.2	112.5	F363 M388 D390 H394 Q395	F363-R392 HydrophobicContact CD2-CB 3.94Å; F363-R392 HydrophobicContact CE2-CB 3.78Å; F363-R392 HydrophobicContact CE2-CG 4.19Å; M388-R392 WeakPolarHBondContact O-CB 3.26Å; M388-R392 PolarHBondContact O-N 3.06Å; M388-R392 VanDerWaalsContact O-N 3.16Å; D390-R392 VanDerWaalsContact C-N 3.28Å; D390-R392 PolarHBondContact O-N 2.95Å; R392-H394 PolarHBondContact O-N 3.13Å; R392-Q395 PolarHBondContact O-N 3.37Å
393	V	98.8	Very high	98.3	Very high	37 Å²	37	31 Å²	31	22%	0.224	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-72.9	-17.9	-175.9	77.4	0	0	0	0	112.3	W238 D390 S391 Q395 I396 L397	W238-V393 HydrophobicContact CD2-CG1 3.59Å; W238-V393 VanDerWaalsContact CE2-CG1 3.42Å; W238-V393 HydrophobicContact CE3-CG1 4.24Å; W238-V393 HydrophobicContact CG-CG1 3.8Å; W238-V393 HydrophobicContact CZ2-CG1 3.97Å; D390-V393 WeakPolarHBondContact O-CG1 3.45Å; S391-V393 VanDerWaalsContact C-N 3.3Å; S391-V393 PolarHBondContact O-N 2.71Å; V393-Q395 PolarHBondContact O-N 3.23Å; V393-I396 WeakPolarHBondContact O-CB 3.39Å; V393-I396 PolarHBondContact O-N 3.2Å; V393-L397 HydrophobicContact CB-CD1 4.32Å; V393-L397 HydrophobicContact CG1-CD1 3.88Å; V393-L397 HydrophobicContact CG2-CD1 3.65Å; V393-L397 HydrophobicContact CG2-CG 3.96Å; V393-L397 PolarHBondContact O-N 2.88Å; V393-L397 VanDerWaalsContact O-N 3.11Å
394	H	98.9	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.8	-25	178.2	-57.3	178.3	0	0	0	112.4	T117 W238 I280 S284 K355 T359 D390 S391 R392 I396	T117-H394 WeakPolarHBondContact CG2-CE1 3.12Å; W238-H394 AromaticContact CE2-CD2 3.77Å; W238-H394 AromaticContact CE2-NE2 3.56Å; W238-H394 AromaticContact CZ2-CD2 3.48Å; W238-H394 VanDerWaalsContact CZ2-CD2 3.48Å; W238-H394 WeakPolarHBondContact CZ2-CD2 3.44Å; W238-H394 AromaticContact CZ2-NE2 3.43Å; W238-H394 WeakPolarHBondContact CZ2-NE2 3.42Å; W238-H394 AromaticContact NE1-CD2 3.61Å; W238-H394 AromaticContact NE1-NE2 3.12Å; W238-H394 PolarHBondContact NE1-NE2 3.43Å; W238-H394 VanDerWaalsContact NE1-NE2 3.12Å; I280-H394 HydrophobicContact CD1-CB 4.36Å; I280-H394 VanDerWaalsContact CD1-CD2 3.43Å; I280-H394 WeakPolarHBondContact CD1-CD2 3.28Å; I280-H394 HydrophobicContact CG1-CB 3.86Å; S284-H394 PolarHBondContact OG-ND1 2.9Å; K355-H394 WeakPolarHBondContact CE-O 3.35Å; K355-H394 PolarHBondContact NZ-O 3.35Å; T359-H394 HydrophobicContact CG2-CB 3.74Å; D390-H394 PolarHBondContact O-CD2 3.12Å; D390-H394 PolarHBondContact O-NE2 3.46Å; S391-H394 WeakPolarHBondContact O-CB 3.21Å; S391-H394 PolarHBondContact O-N 3.5Å; R392-H394 PolarHBondContact O-N 3.13Å; H394-I396 PolarHBondContact O-N 3.09Å
395	Q	98.9	Very high	98.3	Very high	27 Å²	27	34.7 Å²	34.7	13%	0.126	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-70.4	-13.2	172.7	-61.7	172.8	-62.6	0	0	112.9	D360 R392 V393 S400 N401	D360-Q395 PolarHBondContact OD1-NE2 2.89Å; R392-Q395 PolarHBondContact O-N 3.37Å; V393-Q395 PolarHBondContact O-N 3.23Å; Q395-S400 WeakPolarHBondContact O-CA 3.38Å; Q395-N401 PolarHBondContact O-N 2.88Å; Q395-N401 PolarHBondContact O-OD1 3.49Å
396	I	98.8	Very high	98.3	Very high	93 Å²	93	38.3 Å²	38.3	48%	0.477	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-43.2	-174.2	-55.4	171.8	0	0	0	111.2	V393 H394 G399 S400	V393-I396 WeakPolarHBondContact O-CB 3.39Å; V393-I396 PolarHBondContact O-N 3.2Å; H394-I396 PolarHBondContact O-N 3.09Å; I396-G399 CarbonylContact O-C 3.58Å; I396-S400 WeakPolarHBondContact O-CA 3.36Å; I396-S400 PolarHBondContact O-N 3.4Å
397	L	95.9	Very high	98.1	Very high	53 Å²	53	40.5 Å²	40.5	28%	0.277	20%	0.196	S	C	.	.	S	Bend	trans	-81.4	168.5	-174.6	-62.1	166.7	0	0	0	112.8	W238 K355 V393 G399	W238-L397 HydrophobicContact CD2-CD1 4.47Å; W238-L397 HydrophobicContact CE3-CD1 3.87Å; W238-L397 HydrophobicContact CH2-CD1 3.28Å; W238-L397 HydrophobicContact CZ2-CD1 3.91Å; W238-L397 HydrophobicContact CZ3-CD1 3.24Å; K355-L397 WeakPolarHBondContact CE-O 3.43Å; K355-L397 PolarHBondContact NZ-O 2.74Å; V393-L397 HydrophobicContact CB-CD1 4.32Å; V393-L397 HydrophobicContact CG1-CD1 3.88Å; V393-L397 HydrophobicContact CG2-CD1 3.65Å; V393-L397 HydrophobicContact CG2-CG 3.96Å; V393-L397 PolarHBondContact O-N 2.88Å; V393-L397 VanDerWaalsContact O-N 3.11Å; L397-G399 CarbonylContact O-C 3.6Å; L397-G399 PolarHBondContact O-N 3.03Å; L397-G399 VanDerWaalsContact O-O 3.08Å
398	E	94.1	Very high	98.1	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	20%	0.2	C	C	.	.	S	Bend	trans	56.1	29	-177	-61.4	-62.8	136.2	0	0	113	L273 G276 R277 I280	L273-E398 WeakPolarHBondContact CD2-OE2 3.43Å; G276-E398 WeakPolarHBondContact CA-OE2 3.32Å; R277-E398 HydrophobicContact CG-CB 4.22Å; R277-E398 PolarHBondContact NE-O 2.87Å; I280-E398 HydrophobicContact CB-CG 4.22Å; I280-E398 HydrophobicContact CG2-CB 4.13Å; I280-E398 HydrophobicContact CG2-CG 4.05Å
399	G	96.3	Very high	98.1	Very high	22 Å²	22	42 Å²	42	23%	0.227	21%	0.21	C	C	.	.	S	Bend	trans	86.4	123.9	-166.5	0	0	0	0	0	111.3	K355 I396 L397	K355-G399 PolarHBondContact NZ-O 3.48Å; I396-G399 CarbonylContact O-C 3.58Å; L397-G399 CarbonylContact O-C 3.6Å; L397-G399 PolarHBondContact O-N 3.03Å; L397-G399 VanDerWaalsContact O-O 3.08Å
400	S	98.6	Very high	98	Very high	15 Å²	15	46.9 Å²	46.9	11%	0.105	23%	0.229	C	C	.	.			trans	-60.1	161.7	-179	87.6	0	0	0	0	111.7	Q395 I396 E402 V403 M404	Q395-S400 WeakPolarHBondContact O-CA 3.38Å; I396-S400 WeakPolarHBondContact O-CA 3.36Å; I396-S400 PolarHBondContact O-N 3.4Å; S400-E402 WeakPolarHBondContact CB-OE2 3.47Å; S400-E402 PolarHBondContact O-N 3.03Å; S400-E402 VanDerWaalsContact O-N 3.17Å; S400-E402 PolarHBondContact OG-N 3.3Å; S400-E402 PolarHBondContact OG-OE2 2.82Å; S400-V403 CarbonylContact O-C 3.58Å; S400-V403 WeakPolarHBondContact O-CA 3.37Å; S400-V403 WeakPolarHBondContact O-CB 3.27Å; S400-V403 PolarHBondContact O-N 3.36Å; S400-V403 PolarHBondContact OG-N 2.63Å; S400-M404 PolarHBondContact O-N 2.87Å
401	N	98.8	Very high	97.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-24.5	179.5	-75.4	4.2	0	0	0	112.4	K355 L356 T359 D360 Q395 M404 R405	K355-N401 PolarHBondContact NZ-OD1 2.99Å; L356-N401 HydrophobicContact CD1-CB 3.56Å; T359-N401 PolarHBondContact OG1-ND2 3.46Å; T359-N401 PolarHBondContact OG1-OD1 3.36Å; D360-N401 VanDerWaalsContact CG-ND2 3.32Å; D360-N401 PolarHBondContact OD1-ND2 2.85Å; Q395-N401 PolarHBondContact O-N 2.88Å; Q395-N401 PolarHBondContact O-OD1 3.49Å; N401-M404 PolarHBondContact O-N 3.03Å; N401-R405 VanDerWaalsContact O-CG 3.31Å; N401-R405 WeakPolarHBondContact O-CG 3.46Å; N401-R405 PolarHBondContact O-N 3.09Å; N401-R405 PolarHBondContact O-NH1 3.31Å
402	E	98.7	Very high	97.8	Very high	119 Å²	119	54.4 Å²	54.4	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-68.9	-41.4	169.7	-60.1	62.9	-126.1	0	0	111.4	S400 M404 R405 M406	S400-E402 WeakPolarHBondContact CB-OE2 3.47Å; S400-E402 PolarHBondContact O-N 3.03Å; S400-E402 VanDerWaalsContact O-N 3.17Å; S400-E402 PolarHBondContact OG-N 3.3Å; S400-E402 PolarHBondContact OG-OE2 2.82Å; E402-M404 VanDerWaalsContact C-N 3.32Å; E402-R405 PolarHBondContact O-N 3.45Å; E402-R405 IonicContact OE1-NH1 3.12Å; E402-R405 PolarHBondContact OE1-NH1 3.35Å; E402-M406 PolarHBondContact O-N 3.45Å
403	V	98.3	Very high	97.7	Very high	20 Å²	20	56.7 Å²	56.7	12%	0.121	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-40.4	172.4	177.9	0	0	0	0	110.5	S400 R405 M406 L407	S400-V403 CarbonylContact O-C 3.58Å; S400-V403 WeakPolarHBondContact O-CA 3.37Å; S400-V403 WeakPolarHBondContact O-CB 3.27Å; S400-V403 PolarHBondContact O-N 3.36Å; S400-V403 PolarHBondContact OG-N 2.63Å; V403-R405 PolarHBondContact O-N 3.19Å; V403-M406 WeakPolarHBondContact O-CB 3.29Å; V403-M406 PolarHBondContact O-N 3.04Å; V403-L407 HydrophobicContact CG1-CD1 4.23Å; V403-L407 HydrophobicContact CG1-CG 4.37Å; V403-L407 WeakPolarHBondContact O-CG 3.5Å; V403-L407 PolarHBondContact O-N 3.22Å
404	M	98.6	Very high	97.5	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-46.8	175.6	-64	-56.5	100.2	0	0	110.9	R277 K355 L356 S400 N401 E402 M406 L407 I408	R277-M404 HydrophobicContact CG-SD 4.35Å; K355-M404 HydrophobicContact CB-SD 4.45Å; K355-M404 HydrophobicContact CD-CG 3.74Å; K355-M404 HydrophobicContact CD-SD 4.06Å; L356-M404 HydrophobicContact CB-CB 3.9Å; L356-M404 HydrophobicContact CB-CG 4.36Å; S400-M404 PolarHBondContact O-N 2.87Å; N401-M404 PolarHBondContact O-N 3.03Å; E402-M404 VanDerWaalsContact C-N 3.32Å; M404-M406 VanDerWaalsContact C-N 3.31Å; M404-M406 PolarHBondContact O-N 2.71Å; M404-L407 HydrophobicContact CE-CD1 3.97Å; M404-L407 PolarHBondContact O-N 3.38Å; M404-I408 HydrophobicContact CB-CD1 4.48Å; M404-I408 WeakPolarHBondContact O-CB 3.36Å; M404-I408 WeakPolarHBondContact O-CD1 3.36Å; M404-I408 WeakPolarHBondContact O-CG1 3.38Å; M404-I408 PolarHBondContact O-N 3.08Å
405	R	98.6	Very high	96.9	Very high	110 Å²	110	72 Å²	72	42%	0.415	36%	0.361	S	S	.	.	H	α-helix	trans	-57.1	-44	175	-72	175.8	-172.8	98.1	5.3	111.6	L356 D360 N401 E402 V403 I408 S409	L356-R405 HydrophobicContact CD1-CG 4.3Å; L356-R405 HydrophobicContact CD2-CG 3.77Å; D360-R405 IonicContact OD2-NH2 2.67Å; D360-R405 PolarHBondContact OD2-NH2 3.17Å; N401-R405 VanDerWaalsContact O-CG 3.31Å; N401-R405 WeakPolarHBondContact O-CG 3.46Å; N401-R405 PolarHBondContact O-N 3.09Å; N401-R405 PolarHBondContact O-NH1 3.31Å; E402-R405 PolarHBondContact O-N 3.45Å; E402-R405 IonicContact OE1-NH1 3.12Å; E402-R405 PolarHBondContact OE1-NH1 3.35Å; V403-R405 PolarHBondContact O-N 3.19Å; R405-I408 PolarHBondContact O-N 3.4Å; R405-S409 VanDerWaalsContact O-CB 3.32Å; R405-S409 WeakPolarHBondContact O-CB 3.39Å; R405-S409 PolarHBondContact O-N 3.04Å; R405-S409 PolarHBondContact O-OG 2.91Å; R405-S409 VanDerWaalsContact O-OG 3.06Å
406	M	98.1	Very high	96.8	Very high	90 Å²	90	74.3 Å²	74.3	44%	0.443	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-44.8	176.6	-173.3	-154.7	-52.6	0	0	112.6	E402 V403 M404 S409 R410	E402-M406 PolarHBondContact O-N 3.45Å; V403-M406 WeakPolarHBondContact O-CB 3.29Å; V403-M406 PolarHBondContact O-N 3.04Å; M404-M406 VanDerWaalsContact C-N 3.31Å; M404-M406 PolarHBondContact O-N 2.71Å; M406-S409 PolarHBondContact O-OG 2.82Å; M406-S409 VanDerWaalsContact O-OG 3.05Å; M406-R410 VanDerWaalsContact O-CB 3.25Å; M406-R410 WeakPolarHBondContact O-CB 3.44Å; M406-R410 PolarHBondContact O-N 2.88Å
407	L	96.3	Very high	96.7	Very high	51 Å²	51	73.3 Å²	73.3	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-44.5	179.3	-67.7	176	0	0	0	111.3	V403 M404 R410 S411	V403-L407 HydrophobicContact CG1-CD1 4.23Å; V403-L407 HydrophobicContact CG1-CG 4.37Å; V403-L407 WeakPolarHBondContact O-CG 3.5Å; V403-L407 PolarHBondContact O-N 3.22Å; M404-L407 HydrophobicContact CE-CD1 3.97Å; M404-L407 PolarHBondContact O-N 3.38Å; L407-R410 PolarHBondContact O-N 2.86Å; L407-S411 PolarHBondContact O-N 2.86Å
408	I	98.4	Very high	96.8	Very high	25 Å²	25	74.4 Å²	74.4	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-49.5	178.2	-65.5	160.5	0	0	0	110.3	M353 L356 M404 R405 R410 S411 L412	M353-I408 HydrophobicContact CB-CD1 4.33Å; M353-I408 HydrophobicContact CE-CG2 3.71Å; M353-I408 HydrophobicContact CG-CD1 3.74Å; M353-I408 HydrophobicContact CG-CG1 3.85Å; M353-I408 HydrophobicContact CG-CG2 4.27Å; L356-I408 HydrophobicContact CB-CD1 4.43Å; L356-I408 HydrophobicContact CD2-CD1 3.71Å; M404-I408 HydrophobicContact CB-CD1 4.48Å; M404-I408 WeakPolarHBondContact O-CB 3.36Å; M404-I408 WeakPolarHBondContact O-CD1 3.36Å; M404-I408 WeakPolarHBondContact O-CG1 3.38Å; M404-I408 PolarHBondContact O-N 3.08Å; R405-I408 PolarHBondContact O-N 3.4Å; I408-R410 VanDerWaalsContact C-N 3.31Å; I408-R410 PolarHBondContact O-N 2.89Å; I408-S411 PolarHBondContact O-N 3.41Å; I408-L412 WeakPolarHBondContact O-CB 3.33Å; I408-L412 PolarHBondContact O-N 3.12Å
409	S	98.3	Very high	96.9	Very high	57 Å²	57	76.9 Å²	76.9	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-38.9	-179.5	65.3	0	0	0	0	111.8	R405 M406 L412 L413	R405-S409 VanDerWaalsContact O-CB 3.32Å; R405-S409 WeakPolarHBondContact O-CB 3.39Å; R405-S409 PolarHBondContact O-N 3.04Å; R405-S409 PolarHBondContact O-OG 2.91Å; R405-S409 VanDerWaalsContact O-OG 3.06Å; M406-S409 PolarHBondContact O-OG 2.82Å; M406-S409 VanDerWaalsContact O-OG 3.05Å; S409-L412 PolarHBondContact O-N 3.05Å; S409-L413 WeakPolarHBondContact O-CB 3.22Å; S409-L413 VanDerWaalsContact O-CG 3.25Å; S409-L413 WeakPolarHBondContact O-CG 3.31Å; S409-L413 PolarHBondContact O-N 2.83Å; S409-L413 VanDerWaalsContact O-N 3.07Å
410	R	96.5	Very high	97	Very high	129 Å²	129	80.4 Å²	80.4	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-44.8	176.4	-175.8	-178	-60.7	164.8	3.9	111.4	M406 L407 I408 Q414	M406-R410 VanDerWaalsContact O-CB 3.25Å; M406-R410 WeakPolarHBondContact O-CB 3.44Å; M406-R410 PolarHBondContact O-N 2.88Å; L407-R410 PolarHBondContact O-N 2.86Å; I408-R410 VanDerWaalsContact C-N 3.31Å; I408-R410 PolarHBondContact O-N 2.89Å; R410-Q414 WeakPolarHBondContact O-CB 3.34Å; R410-Q414 VanDerWaalsContact O-CG 3.25Å; R410-Q414 WeakPolarHBondContact O-CG 3.38Å; R410-Q414 PolarHBondContact O-N 2.96Å
411	S	96	Very high	96.9	Very high	52 Å²	52	84.7 Å²	84.7	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-59.6	-49	177.5	-169.5	0	0	0	0	111	L407 I408 L413 Q414	L407-S411 PolarHBondContact O-N 2.86Å; I408-S411 PolarHBondContact O-N 3.41Å; S411-L413 VanDerWaalsContact C-N 3.35Å; S411-L413 PolarHBondContact O-N 2.92Å; S411-Q414 PolarHBondContact O-N 2.94Å
412	L	97.4	Very high	96.7	Very high	106 Å²	106	90.6 Å²	90.6	56%	0.555	44%	0.443	S	S	*	.	H	α-helix	trans	-66.7	-33.4	-175.9	-172.3	64.5	0	0	0	113.1	I408 S409 Q414	I408-L412 WeakPolarHBondContact O-CB 3.33Å; I408-L412 PolarHBondContact O-N 3.12Å; S409-L412 PolarHBondContact O-N 3.05Å; L412-Q414 VanDerWaalsContact C-N 3.28Å; L412-Q414 PolarHBondContact O-N 3.02Å
413	L	97.3	Very high	96.6	Very high	152 Å²	152	88.5 Å²	88.5	80%	0.796	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.3	178.2	-70.9	171.5	0	0	0	113.9	S409 S411	S409-L413 WeakPolarHBondContact O-CB 3.22Å; S409-L413 VanDerWaalsContact O-CG 3.25Å; S409-L413 WeakPolarHBondContact O-CG 3.31Å; S409-L413 PolarHBondContact O-N 2.83Å; S409-L413 VanDerWaalsContact O-N 3.07Å; S411-L413 VanDerWaalsContact C-N 3.35Å; S411-L413 PolarHBondContact O-N 2.92Å
414	Q	94.1	Very high	96.5	Very high	148 Å²	148	94.2 Å²	94.2	69%	0.692	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	4.7	-178	-73.5	-179.7	-21.5	0	0	113.2	R410 S411 L412	R410-Q414 WeakPolarHBondContact O-CB 3.34Å; R410-Q414 VanDerWaalsContact O-CG 3.25Å; R410-Q414 WeakPolarHBondContact O-CG 3.38Å; R410-Q414 PolarHBondContact O-N 2.96Å; S411-Q414 PolarHBondContact O-N 2.94Å; L412-Q414 VanDerWaalsContact C-N 3.28Å; L412-Q414 PolarHBondContact O-N 3.02Å
415	E	87.9	Confident	96.3	Very high	210 Å²	210	102.7 Å²	102.7	98%	0.981	50%	0.502	S	S	*	.			trans	-68.4	0	178.7	-64.6	-174.3	168.9	0	0	113.9

Retrieved 415 of 415 residues in 126.5 ms (Link to these results)

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