A0A087Y2I5_POEFO Loading...

Long-chain specific acyl-CoA dehydrogenase, mitochondrial

Long-chain specific acyl-CoA dehydrogenase is one of the acyl-CoA dehydrogenases that catalyze the first step of mitochondrial fatty acid beta-oxidation, an aerobic process breaking down fatty acids into acetyl-CoA and allowing the production of energy from fats. The first step of fatty acid beta-oxidation consists in the removal of one hydrogen from C-2 and C-3 of the straight-chain fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Among the different mitochondrial acyl-CoA dehydrogenases, long-chain specific acyl-CoA dehydrogenase can act on saturated and unsaturated acyl-CoAs with 6 to 24 carbons with a preference for 8 to 18 carbons long primary chains.

AlphaFold DB , UniProt , Accession A0A087Y2I5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	28	Very low	248 Å²	248	164 Å²	164	100%	1.222	84%	0.839	S	S	*	*				0	128.3	0	-110.5	169.3	167.7	0	0	107.6
2	F	27.8	Very low	27.7	Very low	203 Å²	203	160.3 Å²	160.3	89%	0.89	84%	0.839	S	S	*	*			trans	-68.9	149.6	-147.3	-105.9	-106.4	0	0	0	117.5
3	L	31	Very low	27.5	Very low	139 Å²	139	153.6 Å²	153.6	73%	0.728	83%	0.832	S	S	*	*			trans	-32.5	143.9	168.5	-85.5	87.2	0	0	0	116.8
4	R	28.6	Very low	27.5	Very low	208 Å²	208	153.6 Å²	153.6	79%	0.785	84%	0.839	S	S	*	*				110.8	138.7	51	-142.6	-173.7	-165.9	-172.4	3.6	110.1
5	K	29	Very low	27.2	Very low	175 Å²	175	158.2 Å²	158.2	76%	0.761	84%	0.839	S	S	*	*			trans	84.7	141.5	157.1	-69.2	-167.1	167.6	-178.9	0	117.4
6	V	28.8	Very low	27.5	Very low	111 Å²	111	158.1 Å²	158.1	67%	0.673	84%	0.839	S	S	*	*			cis	-175.1	140.8	6.2	123.3	0	0	0	0	109.2
7	V	25.9	Very low	27.5	Very low	115 Å²	115	156.4 Å²	156.4	70%	0.697	84%	0.836	S	S	*	*			trans	64.1	114	137.7	178.4	0	0	0	0	119.7
8	Q	24.7	Very low	27.8	Very low	180 Å²	180	153.9 Å²	153.9	84%	0.841	83%	0.832	S	S	*	*				62.7	114.1	76	-115.7	-175.2	4.1	0	0	116
9	S	24.3	Very low	28	Very low	130 Å²	130	148.7 Å²	148.7	91%	0.909	82%	0.819	S	S	*	*			trans	135.1	135.5	151.5	64.2	0	0	0	0	110.8
10	G	23.1	Very low	28	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	83%	0.825	S	S	*	*			cis	-159.8	134.9	-1.9	0	0	0	0	0	109.6
11	F	26.4	Very low	27.9	Very low	223 Å²	223	150 Å²	150	98%	0.978	82%	0.821	S	S	*	*			trans	-82.8	108.7	160.3	-101.6	-94.7	0	0	0	107.4
12	S	24.4	Very low	27.4	Very low	120 Å²	120	141.8 Å²	141.8	84%	0.839	80%	0.801	S	S	*	*			trans	-166.9	117.2	156.5	56.1	0	0	0	0	110.3
13	G	25.9	Very low	27.5	Very low	73 Å²	73	140.9 Å²	140.9	75%	0.753	80%	0.799	S	S	*	*			trans	107.4	69.5	152.9	0	0	0	0	0	116.6
14	V	26.3	Very low	27.8	Very low	153 Å²	153	141.2 Å²	141.2	93%	0.927	80%	0.799	S	S	*	*			trans	-106.2	87.8	142	-175.7	0	0	0	0	106.5
15	R	24.2	Very low	28.3	Very low	223 Å²	223	137.1 Å²	137.1	84%	0.842	79%	0.792	S	S	*	*			trans	-63	138.7	162.9	-84.5	177.9	172.4	169.3	-2.7	107.9	V17	R15-V17 PolarHBondContact O-N 3.2Å
16	N	31.3	Very low	29.1	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	78%	0.78	S	S	*	*			trans	-33	119	157.5	-79.6	-24.9	0	0	0	111.6
17	V	27.1	Very low	30.1	Very low	130 Å²	130	129.6 Å²	129.6	79%	0.788	77%	0.769	S	S	*	*			trans	-122	70.6	149.6	-172	0	0	0	0	106.6	R15 G19	R15-V17 PolarHBondContact O-N 3.2Å; V17-G19 PolarHBondContact O-N 3.36Å
18	S	34.3	Very low	30.7	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	76%	0.759	S	S	*	*			trans	-56.6	114.2	142.1	50.9	0	0	0	0	107.5
19	G	31.5	Very low	31.5	Very low	55 Å²	55	119.8 Å²	119.8	57%	0.567	73%	0.732	S	S	*	*			trans	145.4	76.8	170.5	0	0	0	0	0	114.9	V17	V17-G19 PolarHBondContact O-N 3.36Å
20	R	27.8	Very low	32.5	Very low	251 Å²	251	116 Å²	116	95%	0.947	71%	0.708	S	S	*	*			trans	179.4	78.5	130.3	-97.1	171.4	-173.2	-160.4	1.9	106.9	G22	R20-G22 PolarHBondContact O-N 2.99Å
21	G	25	Very low	33.7	Very low	73 Å²	73	119.5 Å²	119.5	75%	0.753	70%	0.699	S	S	*	*			trans	-58.1	119.6	160	0	0	0	0	0	107.5	Q23	G21-Q23 VanDerWaalsContact C-N 3.27Å; G21-Q23 PolarHBondContact O-N 3.23Å
22	G	28.1	Very low	34.4	Very low	76 Å²	76	116 Å²	116	78%	0.784	68%	0.684	S	S	*	*			trans	-63.4	100	157.7	0	0	0	0	0	105.9	R20 M24	R20-G22 PolarHBondContact O-N 2.99Å; G22-M24 PolarHBondContact O-N 3.13Å
23	Q	30.3	Very low	35.4	Very low	185 Å²	185	116.2 Å²	116.2	86%	0.864	67%	0.671	S	S	*	*			trans	-57.3	113.1	167.5	-83.2	176.8	-37.9	0	0	106.6	G21 L25	G21-Q23 VanDerWaalsContact C-N 3.27Å; G21-Q23 PolarHBondContact O-N 3.23Å; Q23-L25 PolarHBondContact O-N 3.03Å; Q23-L25 VanDerWaalsContact O-N 3.16Å
24	M	36.6	Very low	36.1	Very low	146 Å²	146	118.5 Å²	118.5	72%	0.719	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-52.3	121	156.3	-79.1	-177.8	-173.7	0	0	106.4	G22 S26	G22-M24 PolarHBondContact O-N 3.13Å; M24-S26 PolarHBondContact O-N 3.26Å; M24-S26 VanDerWaalsContact O-N 3.13Å
25	L	38.3	Very low	36.9	Very low	121 Å²	121	114.5 Å²	114.5	63%	0.634	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-63.2	116.8	173.8	-74.7	161.5	0	0	0	106.7	Q23 A29	Q23-L25 PolarHBondContact O-N 3.03Å; Q23-L25 VanDerWaalsContact O-N 3.16Å; L25-A29 HydrophobicContact CB-CB 4.08Å; L25-A29 HydrophobicContact CD2-CB 3.43Å; L25-A29 VanDerWaalsContact CD2-CB 3.43Å; L25-A29 HydrophobicContact CG-CB 4.37Å
26	S	47.2	Very low	37.4	Very low	73 Å²	73	109.7 Å²	109.7	51%	0.51	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-60.5	156.1	170.5	69.3	0	0	0	0	109.1	M24 A28 A29 A30	M24-S26 PolarHBondContact O-N 3.26Å; M24-S26 VanDerWaalsContact O-N 3.13Å; S26-A28 PolarHBondContact O-N 3.27Å; S26-A29 WeakPolarHBondContact O-CA 3.23Å; S26-A29 WeakPolarHBondContact O-CB 3.29Å; S26-A29 PolarHBondContact O-N 2.97Å; S26-A30 PolarHBondContact O-N 3.17Å
27	A	48.8	Very low	38	Very low	55 Å²	55	105 Å²	105	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-52.1	-22.6	174	0	0	0	0	0	113	R31	A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 VanDerWaalsContact O-CG 3.24Å; A27-R31 WeakPolarHBondContact O-CG 3.46Å; A27-R31 PolarHBondContact O-N 3.11Å; A27-R31 PolarHBondContact O-NE 3.2Å; A27-R31 VanDerWaalsContact O-NE 3.15Å
28	A	39	Very low	38.8	Very low	57 Å²	57	105.4 Å²	105.4	47%	0.471	60%	0.6	S	S	.	*	H	α-helix	trans	-73	-28.5	173.3	0	0	0	0	0	113.9	S26 R31 K32	S26-A28 PolarHBondContact O-N 3.27Å; A28-R31 WeakPolarHBondContact O-CB 3.21Å; A28-K32 PolarHBondContact O-N 3.14Å
29	A	41.6	Very low	39.1	Very low	33 Å²	33	107.9 Å²	107.9	27%	0.273	60%	0.599	S	S	.	*	H	α-helix	trans	-81.1	-35.7	175.9	0	0	0	0	0	111.9	L25 S26 R31 K32	L25-A29 HydrophobicContact CB-CB 4.08Å; L25-A29 HydrophobicContact CD2-CB 3.43Å; L25-A29 VanDerWaalsContact CD2-CB 3.43Å; L25-A29 HydrophobicContact CG-CB 4.37Å; S26-A29 WeakPolarHBondContact O-CA 3.23Å; S26-A29 WeakPolarHBondContact O-CB 3.29Å; S26-A29 PolarHBondContact O-N 2.97Å; A29-R31 VanDerWaalsContact C-N 3.35Å; A29-K32 PolarHBondContact O-N 2.86Å
30	A	45.6	Very low	39.5	Very low	51 Å²	51	113 Å²	113	42%	0.421	61%	0.609	S	S	.	*	H	α-helix	trans	-61.8	-41.4	167.4	0	0	0	0	0	111.7	S26 K32 Q33 Y34	S26-A30 PolarHBondContact O-N 3.17Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 3.12Å; A30-Q33 PolarHBondContact O-N 2.83Å; A30-Q33 VanDerWaalsContact O-N 3.15Å; A30-Y34 PolarHBondContact O-N 2.94Å; A30-Y34 VanDerWaalsContact O-N 3.09Å
31	R	49	Very low	40.1	Very low	144 Å²	144	104.7 Å²	104.7	54%	0.543	60%	0.6	S	S	.	*	H	α-helix	trans	-52.4	-39.4	173	-91.1	178.4	-102.8	-158.4	-8.2	114.2	A27 A28 A29 Q33 Y34 S35	A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 VanDerWaalsContact O-CG 3.24Å; A27-R31 WeakPolarHBondContact O-CG 3.46Å; A27-R31 PolarHBondContact O-N 3.11Å; A27-R31 PolarHBondContact O-NE 3.2Å; A27-R31 VanDerWaalsContact O-NE 3.15Å; A28-R31 WeakPolarHBondContact O-CB 3.21Å; A29-R31 VanDerWaalsContact C-N 3.35Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Y34 PolarHBondContact O-N 3.18Å; R31-S35 PolarHBondContact O-N 3.26Å
32	K	40	Very low	41	Very low	151 Å²	151	106.9 Å²	106.9	66%	0.657	60%	0.604	S	S	*	*	H	α-helix	trans	-72.8	-29.6	-177.4	-137.5	178.4	-172.3	-179.5	0	112.4	A28 A29 A30 Q36	A28-K32 PolarHBondContact O-N 3.14Å; A29-K32 PolarHBondContact O-N 2.86Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 3.12Å; K32-Q36 WeakPolarHBondContact O-CG 3.31Å; K32-Q36 PolarHBondContact O-N 2.84Å
33	Q	44.7	Very low	41.7	Very low	123 Å²	123	109.4 Å²	109.4	58%	0.575	61%	0.605	S	S	*	*	H	α-helix	trans	-75.1	-40.7	174	-73	177.8	-41.5	0	0	111.3	A30 R31 S35 Q36 A37	A30-Q33 PolarHBondContact O-N 2.83Å; A30-Q33 VanDerWaalsContact O-N 3.15Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-S35 PolarHBondContact O-N 3.09Å; Q33-Q36 PolarHBondContact O-N 3.33Å; Q33-A37 PolarHBondContact O-N 3.1Å
34	Y	41.4	Very low	42.6	Very low	122 Å²	122	107.1 Å²	107.1	48%	0.478	60%	0.603	S	S	.	*	H	α-helix	trans	-58.3	-46.6	177.8	-171.4	-100.9	0	0	0	113	A30 R31 Q36 Q38	A30-Y34 PolarHBondContact O-N 2.94Å; A30-Y34 VanDerWaalsContact O-N 3.09Å; R31-Y34 PolarHBondContact O-N 3.18Å; Y34-Q36 PolarHBondContact O-N 3.05Å; Y34-Q38 PolarHBondContact OH-NE2 3.37Å
35	S	43.3	Very low	43.5	Very low	68 Å²	68	104.1 Å²	104.1	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-71.5	-28.3	179.6	176.2	0	0	0	0	113.8	R31 Q33	R31-S35 PolarHBondContact O-N 3.26Å; Q33-S35 PolarHBondContact O-N 3.09Å
36	Q	35.4	Very low	44.5	Very low	123 Å²	123	101.8 Å²	101.8	58%	0.575	60%	0.595	S	S	*	*	H	α-helix	trans	-79.7	-31.6	179.1	-75.7	-176.7	-15.5	0	0	112.5	K32 Q33 Y34 Q39	K32-Q36 WeakPolarHBondContact O-CG 3.31Å; K32-Q36 PolarHBondContact O-N 2.84Å; Q33-Q36 PolarHBondContact O-N 3.33Å; Y34-Q36 PolarHBondContact O-N 3.05Å; Q36-Q39 PolarHBondContact O-N 3.37Å
37	A	43.4	Very low	45.7	Very low	58 Å²	58	105.9 Å²	105.9	48%	0.479	61%	0.61	S	S	.	*	H	α-helix	trans	-69.2	-36.5	177.8	0	0	0	0	0	112.7	Q33 Q39 Q40	Q33-A37 PolarHBondContact O-N 3.1Å; A37-Q39 PolarHBondContact O-N 3.47Å; A37-Q40 PolarHBondContact O-N 3.48Å
38	Q	43	Very low	47.4	Very low	138 Å²	138	104.5 Å²	104.5	65%	0.645	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-18.9	177.8	-76	-175	-11.6	0	0	114.3	Y34	Y34-Q38 PolarHBondContact OH-NE2 3.37Å
39	Q	41.7	Very low	49.2	Very low	163 Å²	163	105 Å²	105	76%	0.762	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-7.2	-179.1	-74.6	-174.6	-10.8	0	0	114.3	Q36 A37	Q36-Q39 PolarHBondContact O-N 3.37Å; A37-Q39 PolarHBondContact O-N 3.47Å
40	Q	38.8	Very low	51	Low	163 Å²	163	106.6 Å²	106.6	76%	0.762	59%	0.593	S	S	*	*	S	Bend	trans	-115	91.2	178	-73.1	-179.3	8.3	0	0	110.4	A37	A37-Q40 PolarHBondContact O-N 3.48Å
41	G	39.8	Very low	52.3	Low	75 Å²	75	105.3 Å²	105.3	77%	0.773	58%	0.58	S	S	*	*			trans	-62.7	154.4	172.6	0	0	0	0	0	113.2
42	S	44.8	Very low	53.4	Low	120 Å²	120	102.8 Å²	102.8	84%	0.839	58%	0.584	S	S	*	*			trans	82.9	65.4	173.9	179	0	0	0	0	116.7
43	T	43.6	Very low	55.1	Low	128 Å²	128	100.5 Å²	100.5	79%	0.785	58%	0.583	S	S	*	*			trans	-98.4	118.5	150.9	50.1	0	0	0	0	108.7	A45	T43-A45 PolarHBondContact O-N 2.83Å
44	V	47.9	Very low	57	Low	138 Å²	138	95.4 Å²	95.4	84%	0.836	56%	0.562	S	S	*	*			trans	-48.2	117.4	162.4	176.6	0	0	0	0	106.3	S46	V44-S46 PolarHBondContact O-N 3.31Å
45	A	56	Low	59.3	Low	82 Å²	82	97.9 Å²	97.9	68%	0.678	58%	0.575	S	S	*	*			trans	-54	115.6	-177.6	0	0	0	0	0	108.4	T43 I47	T43-A45 PolarHBondContact O-N 2.83Å; A45-I47 PolarHBondContact O-N 2.74Å
46	S	59.6	Low	61.7	Low	72 Å²	72	96 Å²	96	50%	0.503	56%	0.561	S	S	.	*			trans	-48.3	116.1	171.4	165.9	0	0	0	0	107.8	V44 R48	V44-S46 PolarHBondContact O-N 3.31Å; S46-R48 PolarHBondContact O-N 2.83Å
47	I	73.1	Confident	64.5	Low	160 Å²	160	90.3 Å²	90.3	82%	0.821	53%	0.534	S	S	*	.			trans	-66.1	101.6	178.8	-63	175.7	0	0	0	106.5	A45	A45-I47 PolarHBondContact O-N 2.74Å
48	R	83.3	Confident	66.9	Low	26 Å²	26	89.2 Å²	89.2	10%	0.098	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-65.8	125.1	175	-69.3	-176.6	173.4	-108	-27.5	108.9	S46 G61 R63 F66 N67 E68 D71	S46-R48 PolarHBondContact O-N 2.83Å; R48-G61 WeakPolarHBondContact CB-O 3.28Å; R48-R63 VanDerWaalsContact CD-O 3.32Å; R48-R63 WeakPolarHBondContact CD-O 3.5Å; R48-F66 WeakPolarHBondContact CD-O 3.32Å; R48-F66 VanDerWaalsContact CZ-O 3.22Å; R48-F66 PolarHBondContact NE-O 3.4Å; R48-F66 PolarHBondContact NH1-O 2.89Å; R48-N67 VanDerWaalsContact NH2-CA 3.33Å; R48-N67 PolarHBondContact NH2-O 3.09Å; R48-E68 VanDerWaalsContact NH2-N 3.11Å; R48-D71 IonicContact CZ-OD1 3.27Å; R48-D71 IonicContact CZ-OD2 3.89Å; R48-D71 VanDerWaalsContact NH1-CG 3.3Å; R48-D71 IonicContact NH1-OD1 3.36Å; R48-D71 PolarHBondContact NH1-OD1 3.48Å; R48-D71 IonicContact NH1-OD2 3.6Å; R48-D71 PolarHBondContact NH1-OD2 3.12Å; R48-D71 IonicContact NH2-OD1 2.63Å; R48-D71 IonicContact NH2-OD2 2.93Å; R48-D71 PolarHBondContact NH2-OD2 3.01Å
49	P	78.1	Confident	69.4	Low	66 Å²	66	85.1 Å²	85.1	43%	0.429	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.5	173.3	25.8	-33.2	0	0	0	109.6	T53 G61 T62	P49-T53 WeakPolarHBondContact CB-OG1 3.09Å; P49-G61 WeakPolarHBondContact CD-O 3.48Å; P49-T62 HydrophobicContact CG-CG2 4.38Å; P49-T62 CarbonylContact O-C 3.47Å; P49-T62 WeakPolarHBondContact O-CA 3.43Å
50	E	77.7	Confident	71.9	Confident	68 Å²	68	79.5 Å²	79.5	32%	0.318	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-65.3	156.4	174.8	-61.6	-51.6	127.1	0	0	112.1	S52 T53 A54 R64	E50-S52 WeakPolarHBondContact CB-OG 3.36Å; E50-S52 PolarHBondContact O-N 3.09Å; E50-T53 PolarHBondContact O-N 3.16Å; E50-T53 PolarHBondContact O-OG1 3.16Å; E50-A54 PolarHBondContact O-N 3.28Å; E50-R64 IonicContact OE1-CZ 2.66Å; E50-R64 IonicContact OE1-NE 3.49Å; E50-R64 PolarHBondContact OE1-NE 2.9Å; E50-R64 IonicContact OE1-NH2 2.98Å; E50-R64 PolarHBondContact OE1-NH2 3.34Å; E50-R64 IonicContact OE2-NE 2.81Å
51	T	74.4	Confident	74.5	Confident	23 Å²	23	72.6 Å²	72.6	14%	0.141	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-26.7	169.6	-44.6	0	0	0	0	113	T53 A54 L57 T62	T51-T53 VanDerWaalsContact C-N 3.27Å; T51-T53 PolarHBondContact O-N 3.13Å; T51-A54 WeakPolarHBondContact O-CB 3.37Å; T51-A54 PolarHBondContact O-N 3.42Å; T51-L57 HydrophobicContact CG2-CD2 3.68Å; T51-T62 PolarHBondContact N-O 3.19Å
52	S	71.1	Confident	76.9	Confident	91 Å²	91	69.5 Å²	69.5	64%	0.636	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.6	176.7	62.4	0	0	0	0	114	E50	E50-S52 WeakPolarHBondContact CB-OG 3.36Å; E50-S52 PolarHBondContact O-N 3.09Å
53	T	76.2	Confident	79.2	Confident	103 Å²	103	64.4 Å²	64.4	63%	0.632	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.5	176.8	60.9	0	0	0	0	112.9	P49 E50 T51	P49-T53 WeakPolarHBondContact CB-OG1 3.09Å; E50-T53 PolarHBondContact O-N 3.16Å; E50-T53 PolarHBondContact O-OG1 3.16Å; T51-T53 VanDerWaalsContact C-N 3.27Å; T51-T53 PolarHBondContact O-N 3.13Å
54	A	84.9	Confident	81.6	Confident	17 Å²	17	67.1 Å²	67.1	14%	0.14	37%	0.374	C	S	.	.	S	Bend	trans	-66.7	151.2	174.3	0	0	0	0	0	112.5	E50 T51 T56 D59 T62	E50-A54 PolarHBondContact O-N 3.28Å; T51-A54 WeakPolarHBondContact O-CB 3.37Å; T51-A54 PolarHBondContact O-N 3.42Å; A54-T56 WeakPolarHBondContact CB-O 3.37Å; A54-D59 HydrophobicContact CB-CB 4.27Å; A54-T62 HydrophobicContact CB-CG2 3.67Å
55	K	88.6	Confident	83.8	Confident	174 Å²	174	61.3 Å²	61.3	76%	0.757	34%	0.338	S	S	*	.	S	Bend	trans	-74	-38.7	177	-176.1	-176.7	178	-174.9	0	110.4	D59 R324	K55-D59 WeakPolarHBondContact CA-OD2 3.45Å; K55-D59 WeakPolarHBondContact CB-OD2 3.41Å; K55-D59 PolarHBondContact N-OD2 3.15Å; K55-R324 PolarHBondContact O-NH1 3.16Å
56	T	93.6	Very high	85.6	Confident	27 Å²	27	58 Å²	58	17%	0.166	31%	0.308	C	S	.	.	S	Bend	trans	-129	155.5	175.6	85.7	0	0	0	0	110.4	A54 M58 D59 E321	A54-T56 WeakPolarHBondContact CB-O 3.37Å; T56-M58 PolarHBondContact O-N 3.38Å; T56-M58 PolarHBondContact OG1-N 3.17Å; T56-D59 WeakPolarHBondContact CB-OD1 3.23Å; T56-D59 PolarHBondContact N-OD2 3.26Å; T56-D59 PolarHBondContact O-N 2.95Å; T56-D59 VanDerWaalsContact OG1-CG 3.26Å; T56-D59 PolarHBondContact OG1-N 3.18Å; T56-D59 PolarHBondContact OG1-OD1 3.37Å; T56-E321 WeakPolarHBondContact CA-OE1 3.36Å; T56-E321 WeakPolarHBondContact CB-OE2 3.34Å
57	L	94.4	Very high	87.3	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12	172.9	-62.6	176.3	0	0	0	113.2	T51 E317 F320 E321 I354	T51-L57 HydrophobicContact CG2-CD2 3.68Å; L57-E317 HydrophobicContact CB-CB 3.95Å; L57-E317 HydrophobicContact CB-CG 3.94Å; L57-E317 HydrophobicContact CD1-CB 4.36Å; L57-E317 HydrophobicContact CD1-CG 4.1Å; L57-F320 HydrophobicContact CD1-CB 4.4Å; L57-F320 HydrophobicContact CD1-CD1 3.55Å; L57-F320 HydrophobicContact CD1-CE1 4.12Å; L57-F320 HydrophobicContact CD1-CG 4.12Å; L57-F320 HydrophobicContact CG-CD1 4.35Å; L57-E321 HydrophobicContact CB-CG 4.24Å; L57-E321 PolarHBondContact N-OE1 2.89Å; L57-I354 HydrophobicContact CD1-CG2 3.97Å
58	M	95	Very high	88.3	Confident	35 Å²	35	55.9 Å²	55.9	17%	0.172	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	9.1	-176.1	-55.2	-176.7	-64.8	0	0	113	T56 R78 Y139 E317 F318 E321	T56-M58 PolarHBondContact O-N 3.38Å; T56-M58 PolarHBondContact OG1-N 3.17Å; M58-R78 PolarHBondContact O-NH1 2.85Å; M58-R78 PolarHBondContact O-NH2 2.91Å; M58-Y139 HydrophobicContact CB-CD2 4.39Å; M58-Y139 HydrophobicContact CB-CE2 4.43Å; M58-Y139 HydrophobicContact CB-CG 4.47Å; M58-Y139 HydrophobicContact CG-CD1 3.7Å; M58-Y139 HydrophobicContact CG-CD2 4.41Å; M58-Y139 HydrophobicContact CG-CE1 3.76Å; M58-Y139 HydrophobicContact CG-CE2 4.48Å; M58-Y139 HydrophobicContact CG-CG 4.06Å; M58-Y139 HydrophobicContact SD-CD1 3.51Å; M58-Y139 VanDerWaalsContact SD-CD1 3.51Å; M58-Y139 HydrophobicContact SD-CE1 4.19Å; M58-Y139 HydrophobicContact SD-CG 3.75Å; M58-E317 HydrophobicContact CG-CB 4.49Å; M58-F318 HydrophobicContact SD-CB 4.22Å; M58-F318 HydrophobicContact SD-CD2 4.32Å; M58-E321 HydrophobicContact CE-CB 3.74Å; M58-E321 HydrophobicContact CE-CG 4.01Å; M58-E321 HydrophobicContact CG-CG 4.41Å
59	D	94.6	Very high	88.9	Confident	52 Å²	52	58 Å²	58	28%	0.278	30%	0.302	S	S	.	.			trans	-69	131.4	-179.3	-73.4	-10.8	0	0	0	111	A54 K55 T56 T62	A54-D59 HydrophobicContact CB-CB 4.27Å; K55-D59 WeakPolarHBondContact CA-OD2 3.45Å; K55-D59 WeakPolarHBondContact CB-OD2 3.41Å; K55-D59 PolarHBondContact N-OD2 3.15Å; T56-D59 WeakPolarHBondContact CB-OD1 3.23Å; T56-D59 PolarHBondContact N-OD2 3.26Å; T56-D59 PolarHBondContact O-N 2.95Å; T56-D59 VanDerWaalsContact OG1-CG 3.26Å; T56-D59 PolarHBondContact OG1-N 3.18Å; T56-D59 PolarHBondContact OG1-OD1 3.37Å; D59-T62 HydrophobicContact CB-CG2 3.76Å; D59-T62 PolarHBondContact O-OG1 2.95Å
60	I	94.5	Very high	89.9	Confident	46 Å²	46	55.5 Å²	55.5	24%	0.236	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	146.8	177.1	-55	-171.6	0	0	0	109.8	D71 R74 Q75	I60-D71 HydrophobicContact CG2-CB 3.39Å; I60-D71 VanDerWaalsContact CG2-CG 3.41Å; I60-D71 VanDerWaalsContact CG2-OD1 3.3Å; I60-D71 WeakPolarHBondContact CG2-OD1 3.45Å; I60-R74 HydrophobicContact CD1-CB 4.25Å; I60-R74 HydrophobicContact CD1-CG 3.8Å; I60-R74 HydrophobicContact CG1-CG 4.16Å; I60-Q75 HydrophobicContact CD1-CG 3.56Å
61	G	92.4	Very high	90.8	Very high	17 Å²	17	53.1 Å²	53.1	18%	0.175	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	8.1	177.4	0	0	0	0	0	115.3	R48 P49 D71	R48-G61 WeakPolarHBondContact CB-O 3.28Å; P49-G61 WeakPolarHBondContact CD-O 3.48Å; G61-D71 WeakPolarHBondContact CA-OD2 3.43Å; G61-D71 PolarHBondContact N-OD1 2.85Å
62	T	91.9	Very high	91.9	Very high	10 Å²	10	57 Å²	57	6%	0.061	29%	0.293	C	S	.	.			trans	-104.8	-10.2	-172.7	62.2	0	0	0	0	114.9	P49 T51 A54 D59	P49-T62 HydrophobicContact CG-CG2 4.38Å; P49-T62 CarbonylContact O-C 3.47Å; P49-T62 WeakPolarHBondContact O-CA 3.43Å; T51-T62 PolarHBondContact N-O 3.19Å; A54-T62 HydrophobicContact CB-CG2 3.67Å; D59-T62 HydrophobicContact CB-CG2 3.76Å; D59-T62 PolarHBondContact O-OG1 2.95Å
63	R	93.3	Very high	93.2	Very high	14 Å²	14	54.5 Å²	54.5	5%	0.053	27%	0.271	C	S	.	.			trans	-109	129.7	-178.3	-76.8	168.9	60	-156.1	-2.8	110.6	R48 I65 F66 E135 D362	R48-R63 VanDerWaalsContact CD-O 3.32Å; R48-R63 WeakPolarHBondContact CD-O 3.5Å; R63-I65 PolarHBondContact O-N 3.21Å; R63-F66 HydrophobicContact CB-CD2 3.81Å; R63-F66 HydrophobicContact CB-CE2 4.09Å; R63-F66 VanDerWaalsContact CZ-CE2 3.4Å; R63-F66 PolarHBondContact O-N 3.09Å; R63-E135 IonicContact CZ-OE1 2.61Å; R63-E135 VanDerWaalsContact CZ-OE1 3.24Å; R63-E135 IonicContact CZ-OE2 3.6Å; R63-E135 IonicContact NH1-OE1 2.8Å; R63-E135 PolarHBondContact NH1-OE1 2.86Å; R63-E135 IonicContact NH1-OE2 2.78Å; R63-E135 PolarHBondContact NH1-OE2 3.44Å; R63-E135 IonicContact NH2-OE1 3.14Å; R63-E135 PolarHBondContact NH2-OE1 2.92Å; R63-D362 IonicContact CZ-OD1 3.32Å; R63-D362 VanDerWaalsContact CZ-OD1 3.27Å; R63-D362 IonicContact CZ-OD2 3.58Å; R63-D362 IonicContact NE-OD1 2.64Å; R63-D362 PolarHBondContact NE-OD1 2.97Å; R63-D362 IonicContact NE-OD2 3.21Å; R63-D362 PolarHBondContact NE-OD2 3.45Å; R63-D362 IonicContact NH2-OD1 2.99Å; R63-D362 PolarHBondContact NH2-OD1 3.04Å; R63-D362 IonicContact NH2-OD2 2.8Å
64	R	92.2	Very high	94.2	Very high	184 Å²	184	50 Å²	50	69%	0.694	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.7	-175.8	-66	-173.6	179.7	-177.7	3.8	114.4	E50 F66	E50-R64 IonicContact OE1-CZ 2.66Å; E50-R64 IonicContact OE1-NE 3.49Å; E50-R64 PolarHBondContact OE1-NE 2.9Å; E50-R64 IonicContact OE1-NH2 2.98Å; E50-R64 PolarHBondContact OE1-NH2 3.34Å; E50-R64 IonicContact OE2-NE 2.81Å; R64-F66 PolarHBondContact O-N 3.23Å
65	I	94.1	Very high	94.9	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.082	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.3	-179.5	76.6	173	0	0	0	112.3	R63 F128 D362 L365 Q366	R63-I65 PolarHBondContact O-N 3.21Å; I65-F128 HydrophobicContact CB-CD1 4.38Å; I65-F128 HydrophobicContact CB-CE1 4.14Å; I65-F128 HydrophobicContact CD1-CD1 4.04Å; I65-F128 HydrophobicContact CD1-CE1 4.24Å; I65-F128 HydrophobicContact CG1-CD1 4.29Å; I65-F128 HydrophobicContact CG1-CE1 4.49Å; I65-D362 HydrophobicContact CD1-CB 4.16Å; I65-D362 HydrophobicContact CG2-CB 3.87Å; I65-L365 HydrophobicContact CD1-CB 4.45Å; I65-L365 HydrophobicContact CD1-CD1 3.86Å; I65-Q366 HydrophobicContact CG2-CG 4.21Å
66	F	95.6	Very high	95.3	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.053	24%	0.241	C	C	.	.			trans	-102.8	163.2	-179.6	-58.9	-56.7	0	0	0	111.9	R48 R63 R64 H70 F128 I132	R48-F66 WeakPolarHBondContact CD-O 3.32Å; R48-F66 VanDerWaalsContact CZ-O 3.22Å; R48-F66 PolarHBondContact NE-O 3.4Å; R48-F66 PolarHBondContact NH1-O 2.89Å; R63-F66 HydrophobicContact CB-CD2 3.81Å; R63-F66 HydrophobicContact CB-CE2 4.09Å; R63-F66 VanDerWaalsContact CZ-CE2 3.4Å; R63-F66 PolarHBondContact O-N 3.09Å; R64-F66 PolarHBondContact O-N 3.23Å; F66-H70 HydrophobicContact CB-CB 3.79Å; F66-H70 HydrophobicContact CD1-CB 3.98Å; F66-H70 AromaticContact CD1-ND1 3.98Å; F66-H70 HydrophobicContact CG-CB 4.22Å; F66-F128 HydrophobicContact CD1-CB 3.92Å; F66-F128 HydrophobicContact CE1-CB 3.83Å; F66-F128 HydrophobicContact CE1-CD1 4.49Å; F66-I132 HydrophobicContact CD1-CD1 4.08Å; F66-I132 HydrophobicContact CD1-CG1 4.37Å; F66-I132 HydrophobicContact CE1-CD1 4.05Å; F66-I132 HydrophobicContact CE1-CG1 3.88Å; F66-I132 HydrophobicContact CZ-CG1 4.23Å
67	N	94.6	Very high	95.6	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	23%	0.233	S	C	.	.			trans	-125.4	-177	174	65	27.6	0	0	0	109.8	R48 D69 H70 D71	R48-N67 VanDerWaalsContact NH2-CA 3.33Å; R48-N67 PolarHBondContact NH2-O 3.09Å; N67-D69 VanDerWaalsContact C-N 3.31Å; N67-D69 PolarHBondContact O-N 3.44Å; N67-D69 WeakPolarHBondContact OD1-CB 3.46Å; N67-D69 PolarHBondContact OD1-N 3.19Å; N67-D69 VanDerWaalsContact OD1-N 3.14Å; N67-H70 PolarHBondContact N-ND1 3.09Å; N67-H70 WeakPolarHBondContact O-CB 3.4Å; N67-H70 PolarHBondContact O-N 3.06Å; N67-H70 VanDerWaalsContact OD1-CG 3.28Å; N67-H70 PolarHBondContact OD1-N 3.22Å; N67-H70 PolarHBondContact OD1-ND1 3.12Å; N67-D71 PolarHBondContact O-N 3.23Å
68	E	94.9	Very high	95.8	Very high	120 Å²	120	50.3 Å²	50.3	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-66.9	-33.4	-174.6	-67.2	-179.9	-177.4	0	0	112.3	R48 D71 I72	R48-E68 VanDerWaalsContact NH2-N 3.11Å; E68-D71 WeakPolarHBondContact O-CB 3.15Å; E68-D71 PolarHBondContact O-N 3.44Å; E68-D71 VanDerWaalsContact O-N 3.15Å; E68-I72 WeakPolarHBondContact O-CG1 3.48Å; E68-I72 PolarHBondContact O-N 3.06Å
69	D	95.3	Very high	95.9	Very high	70 Å²	70	55 Å²	55	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-42.3	174.9	-64.1	-28.6	0	0	0	111	N67 D71 I72 F73	N67-D69 VanDerWaalsContact C-N 3.31Å; N67-D69 PolarHBondContact O-N 3.44Å; N67-D69 WeakPolarHBondContact OD1-CB 3.46Å; N67-D69 PolarHBondContact OD1-N 3.19Å; N67-D69 VanDerWaalsContact OD1-N 3.14Å; D69-D71 VanDerWaalsContact C-N 3.28Å; D69-D71 PolarHBondContact O-N 2.93Å; D69-I72 PolarHBondContact O-N 3.49Å; D69-F73 WeakPolarHBondContact O-CB 3.46Å; D69-F73 PolarHBondContact O-N 3.15Å
70	H	97.7	Very high	96.1	Very high	13 Å²	13	53.2 Å²	53.2	6%	0.06	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-38.6	171.8	-68.8	148.5	0	0	0	112	F66 N67 F73 R74 D126 F128 I132	F66-H70 HydrophobicContact CB-CB 3.79Å; F66-H70 HydrophobicContact CD1-CB 3.98Å; F66-H70 AromaticContact CD1-ND1 3.98Å; F66-H70 HydrophobicContact CG-CB 4.22Å; N67-H70 PolarHBondContact N-ND1 3.09Å; N67-H70 WeakPolarHBondContact O-CB 3.4Å; N67-H70 PolarHBondContact O-N 3.06Å; N67-H70 VanDerWaalsContact OD1-CG 3.28Å; N67-H70 PolarHBondContact OD1-N 3.22Å; N67-H70 PolarHBondContact OD1-ND1 3.12Å; H70-F73 PolarHBondContact O-N 3.27Å; H70-R74 VanDerWaalsContact O-CB 3.25Å; H70-R74 WeakPolarHBondContact O-CB 3.46Å; H70-R74 PolarHBondContact O-N 3.24Å; H70-D126 IonicContact CE1-OD1 3.74Å; H70-D126 IonicContact CE1-OD2 2.74Å; H70-D126 PolarHBondContact CE1-OD2 3.29Å; H70-D126 IonicContact NE2-OD1 2.78Å; H70-D126 PolarHBondContact NE2-OD1 3Å; H70-D126 VanDerWaalsContact NE2-OD1 3.16Å; H70-D126 IonicContact NE2-OD2 3.31Å; H70-D126 PolarHBondContact NE2-OD2 3.4Å; H70-D126 VanDerWaalsContact NE2-OD2 3.12Å; H70-F128 AromaticContact CE1-CD2 3.97Å; H70-I132 HydrophobicContact CB-CD1 3.74Å; H70-I132 WeakPolarHBondContact O-CD1 3.44Å
71	D	96.7	Very high	96.3	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-41.4	177.1	-67.4	-23.2	0	0	0	112.1	R48 I60 G61 N67 E68 D69 R74 Q75	R48-D71 IonicContact CZ-OD1 3.27Å; R48-D71 IonicContact CZ-OD2 3.89Å; R48-D71 VanDerWaalsContact NH1-CG 3.3Å; R48-D71 IonicContact NH1-OD1 3.36Å; R48-D71 PolarHBondContact NH1-OD1 3.48Å; R48-D71 IonicContact NH1-OD2 3.6Å; R48-D71 PolarHBondContact NH1-OD2 3.12Å; R48-D71 IonicContact NH2-OD1 2.63Å; R48-D71 IonicContact NH2-OD2 2.93Å; R48-D71 PolarHBondContact NH2-OD2 3.01Å; I60-D71 HydrophobicContact CG2-CB 3.39Å; I60-D71 VanDerWaalsContact CG2-CG 3.41Å; I60-D71 VanDerWaalsContact CG2-OD1 3.3Å; I60-D71 WeakPolarHBondContact CG2-OD1 3.45Å; G61-D71 WeakPolarHBondContact CA-OD2 3.43Å; G61-D71 PolarHBondContact N-OD1 2.85Å; N67-D71 PolarHBondContact O-N 3.23Å; E68-D71 WeakPolarHBondContact O-CB 3.15Å; E68-D71 PolarHBondContact O-N 3.44Å; E68-D71 VanDerWaalsContact O-N 3.15Å; D69-D71 VanDerWaalsContact C-N 3.28Å; D69-D71 PolarHBondContact O-N 2.93Å; D71-R74 PolarHBondContact O-N 2.96Å; D71-Q75 WeakPolarHBondContact O-CG 3.45Å; D71-Q75 PolarHBondContact O-N 3.28Å
72	I	97.6	Very high	96.6	Very high	105 Å²	105	55 Å²	55	54%	0.538	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-46.3	175.1	-67.6	166.3	0	0	0	110	E68 D69 R74 Q75 S76	E68-I72 WeakPolarHBondContact O-CG1 3.48Å; E68-I72 PolarHBondContact O-N 3.06Å; D69-I72 PolarHBondContact O-N 3.49Å; I72-R74 VanDerWaalsContact C-N 3.35Å; I72-R74 PolarHBondContact O-N 3.26Å; I72-Q75 WeakPolarHBondContact O-CB 3.25Å; I72-Q75 PolarHBondContact O-N 2.9Å; I72-S76 PolarHBondContact O-N 2.96Å; I72-S76 VanDerWaalsContact O-N 3.16Å
73	F	98.3	Very high	96.9	Very high	38 Å²	38	58.9 Å²	58.9	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-47	176.5	-177.2	-111.4	0	0	0	110.9	D69 H70 Q75 S76 V77 L111 V114 I123 S129 I132 T133	D69-F73 WeakPolarHBondContact O-CB 3.46Å; D69-F73 PolarHBondContact O-N 3.15Å; H70-F73 PolarHBondContact O-N 3.27Å; F73-Q75 VanDerWaalsContact C-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.14Å; F73-S76 WeakPolarHBondContact O-CA 3.44Å; F73-S76 VanDerWaalsContact O-CB 3.27Å; F73-S76 WeakPolarHBondContact O-CB 3.45Å; F73-S76 PolarHBondContact O-N 3.47Å; F73-V77 HydrophobicContact CD1-CG2 3.93Å; F73-V77 HydrophobicContact CD2-CG2 4.37Å; F73-V77 HydrophobicContact CE1-CG2 3.51Å; F73-V77 HydrophobicContact CE2-CG2 4.02Å; F73-V77 HydrophobicContact CG-CG2 4.33Å; F73-V77 HydrophobicContact CZ-CG2 3.57Å; F73-V77 WeakPolarHBondContact O-CG2 3.46Å; F73-V77 PolarHBondContact O-N 2.8Å; F73-L111 HydrophobicContact CE2-CD2 4.14Å; F73-L111 HydrophobicContact CZ-CD2 3.97Å; F73-V114 HydrophobicContact CZ-CG2 4.34Å; F73-I123 HydrophobicContact CE2-CD1 4.21Å; F73-S129 VanDerWaalsContact CE1-O 3.31Å; F73-S129 WeakPolarHBondContact CE1-O 3.37Å; F73-I132 HydrophobicContact CD1-CB 4.14Å; F73-I132 HydrophobicContact CD1-CD1 4.13Å; F73-I132 HydrophobicContact CD1-CG2 3.78Å; F73-I132 HydrophobicContact CE1-CB 4.3Å; F73-I132 HydrophobicContact CE1-CG2 4.05Å; F73-T133 HydrophobicContact CE1-CG2 3.94Å; F73-T133 HydrophobicContact CZ-CG2 4.03Å
74	R	98.6	Very high	97.1	Very high	8 Å²	8	60.8 Å²	60.8	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-40	176.3	-176.5	177.8	-70	-91.2	6.9	113.1	I60 H70 D71 I72 S76 V77 R78 I132 E135 E136	I60-R74 HydrophobicContact CD1-CB 4.25Å; I60-R74 HydrophobicContact CD1-CG 3.8Å; I60-R74 HydrophobicContact CG1-CG 4.16Å; H70-R74 VanDerWaalsContact O-CB 3.25Å; H70-R74 WeakPolarHBondContact O-CB 3.46Å; H70-R74 PolarHBondContact O-N 3.24Å; D71-R74 PolarHBondContact O-N 2.96Å; I72-R74 VanDerWaalsContact C-N 3.35Å; I72-R74 PolarHBondContact O-N 3.26Å; R74-S76 VanDerWaalsContact C-N 3.31Å; R74-S76 PolarHBondContact O-N 2.94Å; R74-V77 PolarHBondContact O-N 3.32Å; R74-R78 VanDerWaalsContact O-CB 3.22Å; R74-R78 WeakPolarHBondContact O-CB 3.43Å; R74-R78 PolarHBondContact O-N 3Å; R74-I132 VanDerWaalsContact CA-CG2 3.47Å; R74-I132 HydrophobicContact CB-CD1 4.36Å; R74-I132 HydrophobicContact CB-CG1 4.37Å; R74-I132 HydrophobicContact CB-CG2 3.65Å; R74-I132 HydrophobicContact CG-CG2 3.95Å; R74-I132 VanDerWaalsContact NH2-CG1 3.34Å; R74-E135 IonicContact CZ-OE2 2.78Å; R74-E135 IonicContact NH1-OE2 3.97Å; R74-E135 PolarHBondContact NH1-OE2 3.37Å; R74-E135 IonicContact NH2-OE1 2.91Å; R74-E135 IonicContact NH2-OE2 3.81Å; R74-E135 PolarHBondContact NH2-OE2 2.84Å; R74-E136 VanDerWaalsContact CD-OE1 3.25Å; R74-E136 WeakPolarHBondContact CD-OE1 3.34Å; R74-E136 HydrophobicContact CG-CG 3.88Å; R74-E136 WeakPolarHBondContact CG-OE1 3.35Å; R74-E136 IonicContact CZ-OE1 3.93Å; R74-E136 IonicContact NE-OE1 2.78Å; R74-E136 IonicContact NH1-OE1 3.71Å; R74-E136 PolarHBondContact NH1-OE1 2.85Å
75	Q	98.5	Very high	97.4	Very high	103 Å²	103	52 Å²	52	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-39.1	174.4	-70.9	172.6	13.2	0	0	112.1	I60 D71 I72 F73 R79	I60-Q75 HydrophobicContact CD1-CG 3.56Å; D71-Q75 WeakPolarHBondContact O-CG 3.45Å; D71-Q75 PolarHBondContact O-N 3.28Å; I72-Q75 WeakPolarHBondContact O-CB 3.25Å; I72-Q75 PolarHBondContact O-N 2.9Å; F73-Q75 VanDerWaalsContact C-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.14Å; Q75-R79 WeakPolarHBondContact O-CB 3.39Å; Q75-R79 PolarHBondContact O-N 3.28Å
76	S	98.3	Very high	97.5	Very high	54 Å²	54	54 Å²	54	38%	0.378	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-49.4	175.8	-167.5	0	0	0	0	111.6	I72 F73 R74 R78 R79 F80	I72-S76 PolarHBondContact O-N 2.96Å; I72-S76 VanDerWaalsContact O-N 3.16Å; F73-S76 WeakPolarHBondContact O-CA 3.44Å; F73-S76 VanDerWaalsContact O-CB 3.27Å; F73-S76 WeakPolarHBondContact O-CB 3.45Å; F73-S76 PolarHBondContact O-N 3.47Å; R74-S76 VanDerWaalsContact C-N 3.31Å; R74-S76 PolarHBondContact O-N 2.94Å; S76-R78 PolarHBondContact O-N 3.35Å; S76-R79 WeakPolarHBondContact O-CB 3.42Å; S76-R79 PolarHBondContact O-N 3.43Å; S76-F80 PolarHBondContact O-N 3.07Å
77	V	98.6	Very high	97.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-46.7	177.7	179.6	0	0	0	0	111	F73 R74 R79 F80 F81 L111 I132 T133 E136	F73-V77 HydrophobicContact CD1-CG2 3.93Å; F73-V77 HydrophobicContact CD2-CG2 4.37Å; F73-V77 HydrophobicContact CE1-CG2 3.51Å; F73-V77 HydrophobicContact CE2-CG2 4.02Å; F73-V77 HydrophobicContact CG-CG2 4.33Å; F73-V77 HydrophobicContact CZ-CG2 3.57Å; F73-V77 WeakPolarHBondContact O-CG2 3.46Å; F73-V77 PolarHBondContact O-N 2.8Å; R74-V77 PolarHBondContact O-N 3.32Å; V77-R79 VanDerWaalsContact C-N 3.3Å; V77-R79 PolarHBondContact O-N 3.16Å; V77-F80 WeakPolarHBondContact O-CB 3.34Å; V77-F80 PolarHBondContact O-N 3.39Å; V77-F81 HydrophobicContact CG1-CD2 3.86Å; V77-F81 HydrophobicContact CG1-CE2 3.7Å; V77-F81 WeakPolarHBondContact O-CD2 3.49Å; V77-F81 PolarHBondContact O-N 3.07Å; V77-F81 VanDerWaalsContact O-N 3.07Å; V77-L111 HydrophobicContact CG2-CD2 3.76Å; V77-I132 HydrophobicContact CB-CG2 4.23Å; V77-I132 HydrophobicContact CG2-CG2 4Å; V77-T133 HydrophobicContact CG1-CG2 4.41Å; V77-T133 HydrophobicContact CG2-CG2 4.19Å; V77-E136 HydrophobicContact CB-CB 4.36Å; V77-E136 HydrophobicContact CB-CG 4.24Å; V77-E136 HydrophobicContact CG1-CB 3.55Å; V77-E136 HydrophobicContact CG1-CG 3.92Å
78	R	98.5	Very high	97.7	Very high	71 Å²	71	57.7 Å²	57.7	27%	0.268	28%	0.282	S	S	.	.	H	α-helix	trans	-56.3	-46.1	176.6	-174.4	170.5	-66.5	-178.9	-0.1	111.2	M58 R74 S76 F81 Q82 E136	M58-R78 PolarHBondContact O-NH1 2.85Å; M58-R78 PolarHBondContact O-NH2 2.91Å; R74-R78 VanDerWaalsContact O-CB 3.22Å; R74-R78 WeakPolarHBondContact O-CB 3.43Å; R74-R78 PolarHBondContact O-N 3Å; S76-R78 PolarHBondContact O-N 3.35Å; R78-F81 PolarHBondContact O-N 3.39Å; R78-Q82 VanDerWaalsContact O-CG 3.27Å; R78-Q82 WeakPolarHBondContact O-CG 3.49Å; R78-Q82 PolarHBondContact O-N 3.12Å; R78-E136 HydrophobicContact CB-CG 4.48Å; R78-E136 VanDerWaalsContact CB-OE2 3.3Å; R78-E136 WeakPolarHBondContact CB-OE2 3.48Å; R78-E136 WeakPolarHBondContact CG-OE2 3.34Å; R78-E136 IonicContact CZ-OE1 2.7Å; R78-E136 IonicContact CZ-OE2 2.66Å; R78-E136 IonicContact NE-OE1 3.56Å; R78-E136 IonicContact NE-OE2 3.94Å; R78-E136 PolarHBondContact NE-OE2 3.15Å; R78-E136 IonicContact NH2-OE1 3.86Å; R78-E136 PolarHBondContact NH2-OE1 3.46Å; R78-E136 IonicContact NH2-OE2 2.82Å; R78-E136 PolarHBondContact NH2-OE2 2.96Å
79	R	98.6	Very high	97.7	Very high	133 Å²	133	52.9 Å²	52.9	50%	0.502	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-47	177.4	-173.5	-170.1	-52.5	-84.6	-4.3	111.4	Q75 S76 V77 F81 Q82 E83	Q75-R79 WeakPolarHBondContact O-CB 3.39Å; Q75-R79 PolarHBondContact O-N 3.28Å; S76-R79 WeakPolarHBondContact O-CB 3.42Å; S76-R79 PolarHBondContact O-N 3.43Å; V77-R79 VanDerWaalsContact C-N 3.3Å; V77-R79 PolarHBondContact O-N 3.16Å; R79-F81 VanDerWaalsContact C-N 3.35Å; R79-F81 PolarHBondContact O-N 2.59Å; R79-Q82 PolarHBondContact O-N 3.39Å; R79-Q82 VanDerWaalsContact O-N 3.16Å; R79-E83 HydrophobicContact CG-CG 4.16Å; R79-E83 WeakPolarHBondContact CG-OE1 3.49Å; R79-E83 WeakPolarHBondContact CG-OE2 3.28Å; R79-E83 IonicContact NH1-OE1 3.54Å; R79-E83 WeakPolarHBondContact O-CB 3.39Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 2.96Å
80	F	98.7	Very high	97.6	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-55.2	-48.9	177.5	176.2	-90	0	0	0	111.7	S76 V77 Q82 E83 E84 V85 L102 K105 A106 Q109 L111 F147	S76-F80 PolarHBondContact O-N 3.07Å; V77-F80 WeakPolarHBondContact O-CB 3.34Å; V77-F80 PolarHBondContact O-N 3.39Å; F80-Q82 PolarHBondContact O-N 3.19Å; F80-E83 PolarHBondContact O-N 3.37Å; F80-E84 HydrophobicContact CD2-CB 4.19Å; F80-E84 HydrophobicContact CD2-CG 3.93Å; F80-E84 HydrophobicContact CE1-CB 4.5Å; F80-E84 HydrophobicContact CE2-CB 3.98Å; F80-E84 HydrophobicContact CE2-CG 3.94Å; F80-E84 HydrophobicContact CZ-CB 4.14Å; F80-E84 WeakPolarHBondContact O-CB 3.21Å; F80-E84 PolarHBondContact O-N 3.19Å; F80-V85 HydrophobicContact CD1-CG2 4.27Å; F80-V85 HydrophobicContact CE1-CG2 3.84Å; F80-L102 HydrophobicContact CE1-CD1 4.17Å; F80-L102 HydrophobicContact CZ-CD1 3.75Å; F80-K105 HydrophobicContact CE2-CB 4.22Å; F80-A106 HydrophobicContact CE1-CB 4.38Å; F80-A106 HydrophobicContact CE2-CB 4.42Å; F80-A106 HydrophobicContact CZ-CB 3.79Å; F80-Q109 HydrophobicContact CD2-CB 4.48Å; F80-Q109 HydrophobicContact CD2-CG 4.07Å; F80-Q109 HydrophobicContact CE2-CG 4.36Å; F80-L111 HydrophobicContact CB-CD1 3.75Å; F80-L111 HydrophobicContact CD1-CD1 3.46Å; F80-L111 VanDerWaalsContact CD1-CD1 3.46Å; F80-L111 HydrophobicContact CD2-CD1 3.8Å; F80-L111 HydrophobicContact CE1-CD1 3.98Å; F80-L111 HydrophobicContact CE2-CD1 4.25Å; F80-L111 HydrophobicContact CG-CD1 3.36Å; F80-L111 HydrophobicContact CZ-CD1 4.34Å; F80-F147 AromaticContact CE1-CE2 3.95Å; F80-F147 HydrophobicContact CE1-CE2 3.95Å; F80-F147 HydrophobicContact CZ-CE2 4.45Å
81	F	98.5	Very high	97.5	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.013	30%	0.299	C	S	.	.	I	π-helix	trans	-62.7	-41.6	178.1	-80.1	-74.8	0	0	0	112.5	V77 R78 R79 V85 V86 E136 Q137 P145	V77-F81 HydrophobicContact CG1-CD2 3.86Å; V77-F81 HydrophobicContact CG1-CE2 3.7Å; V77-F81 WeakPolarHBondContact O-CD2 3.49Å; V77-F81 PolarHBondContact O-N 3.07Å; V77-F81 VanDerWaalsContact O-N 3.07Å; R78-F81 PolarHBondContact O-N 3.39Å; R79-F81 VanDerWaalsContact C-N 3.35Å; R79-F81 PolarHBondContact O-N 2.59Å; F81-V85 HydrophobicContact CD1-CB 3.86Å; F81-V85 HydrophobicContact CD1-CG1 4.02Å; F81-V85 HydrophobicContact CD1-CG2 3.6Å; F81-V85 HydrophobicContact CE1-CG2 4.05Å; F81-V85 HydrophobicContact CG-CG2 4.39Å; F81-V85 WeakPolarHBondContact O-CA 3.47Å; F81-V85 WeakPolarHBondContact O-CB 3.22Å; F81-V85 PolarHBondContact O-N 3.05Å; F81-V85 VanDerWaalsContact O-N 3.15Å; F81-V86 WeakPolarHBondContact O-CG2 3.4Å; F81-V86 PolarHBondContact O-N 3.44Å; F81-E136 HydrophobicContact CD2-CB 4.1Å; F81-E136 HydrophobicContact CE2-CB 4.35Å; F81-Q137 HydrophobicContact CD1-CG 4.43Å; F81-Q137 HydrophobicContact CE1-CB 3.73Å; F81-Q137 HydrophobicContact CE1-CG 3.59Å; F81-Q137 HydrophobicContact CE2-CB 4.01Å; F81-Q137 HydrophobicContact CZ-CB 3.44Å; F81-Q137 VanDerWaalsContact CZ-CB 3.44Å; F81-Q137 HydrophobicContact CZ-CG 3.79Å; F81-P145 HydrophobicContact CE1-CG 4.44Å
82	Q	98.1	Very high	97.6	Very high	98 Å²	98	62.6 Å²	62.6	46%	0.458	30%	0.298	S	S	.	.	I	π-helix	trans	-67.5	-36.2	179.8	-66.7	-59.5	-41.8	0	0	113.3	R78 R79 F80 P87	R78-Q82 VanDerWaalsContact O-CG 3.27Å; R78-Q82 WeakPolarHBondContact O-CG 3.49Å; R78-Q82 PolarHBondContact O-N 3.12Å; R79-Q82 PolarHBondContact O-N 3.39Å; R79-Q82 VanDerWaalsContact O-N 3.16Å; F80-Q82 PolarHBondContact O-N 3.19Å; Q82-P87 WeakPolarHBondContact O-CD 3.33Å
83	E	98.1	Very high	97.4	Very high	91 Å²	91	59.7 Å²	59.7	43%	0.425	28%	0.282	S	S	.	.	I	π-helix	trans	-91.8	-38.5	-174.3	-67.3	176	-175	0	0	112.4	R79 F80	R79-E83 HydrophobicContact CG-CG 4.16Å; R79-E83 WeakPolarHBondContact CG-OE1 3.49Å; R79-E83 WeakPolarHBondContact CG-OE2 3.28Å; R79-E83 IonicContact NH1-OE1 3.54Å; R79-E83 WeakPolarHBondContact O-CB 3.39Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 2.96Å; F80-E83 PolarHBondContact O-N 3.37Å
84	E	98.2	Very high	97.2	Very high	54 Å²	54	66 Å²	66	25%	0.252	31%	0.31	S	S	.	.	I	π-helix	trans	-107.3	-17.9	-170.9	-59.6	-63.7	153.2	0	0	114	F80 H88 W92 L102 K105	F80-E84 HydrophobicContact CD2-CB 4.19Å; F80-E84 HydrophobicContact CD2-CG 3.93Å; F80-E84 HydrophobicContact CE1-CB 4.5Å; F80-E84 HydrophobicContact CE2-CB 3.98Å; F80-E84 HydrophobicContact CE2-CG 3.94Å; F80-E84 HydrophobicContact CZ-CB 4.14Å; F80-E84 WeakPolarHBondContact O-CB 3.21Å; F80-E84 PolarHBondContact O-N 3.19Å; E84-H88 PolarHBondContact O-CD2 2.96Å; E84-W92 WeakPolarHBondContact O-CH2 3.41Å; E84-L102 HydrophobicContact CB-CD1 4.17Å; E84-K105 VanDerWaalsContact OE2-CD 3.28Å; E84-K105 WeakPolarHBondContact OE2-CD 3.33Å; E84-K105 WeakPolarHBondContact OE2-CE 3.27Å; E84-K105 IonicContact OE2-NZ 3.05Å; E84-K105 PolarHBondContact OE2-NZ 3.01Å
85	V	97.9	Very high	97.1	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.328	C	S	.	.	I	π-helix	trans	-111.8	-57.2	-174.6	-175.8	0	0	0	0	111.9	F80 F81 P87 H88 H89 W92 L102 C142 P145	F80-V85 HydrophobicContact CD1-CG2 4.27Å; F80-V85 HydrophobicContact CE1-CG2 3.84Å; F81-V85 HydrophobicContact CD1-CB 3.86Å; F81-V85 HydrophobicContact CD1-CG1 4.02Å; F81-V85 HydrophobicContact CD1-CG2 3.6Å; F81-V85 HydrophobicContact CE1-CG2 4.05Å; F81-V85 HydrophobicContact CG-CG2 4.39Å; F81-V85 WeakPolarHBondContact O-CA 3.47Å; F81-V85 WeakPolarHBondContact O-CB 3.22Å; F81-V85 PolarHBondContact O-N 3.05Å; F81-V85 VanDerWaalsContact O-N 3.15Å; V85-P87 VanDerWaalsContact C-CD 3.46Å; V85-H88 PolarHBondContact O-N 3.44Å; V85-H88 VanDerWaalsContact O-N 3.12Å; V85-H89 PolarHBondContact O-N 3.16Å; V85-W92 HydrophobicContact CB-CZ3 4.35Å; V85-W92 HydrophobicContact CG1-CZ3 3.9Å; V85-L102 HydrophobicContact CG2-CD1 3.9Å; V85-L102 HydrophobicContact CG2-CD2 4.39Å; V85-C142 HydrophobicContact CG1-CB 3.45Å; V85-C142 VanDerWaalsContact CG1-CB 3.45Å; V85-P145 HydrophobicContact CG1-CG 3.89Å; V85-P145 HydrophobicContact CG2-CG 4.38Å
86	V	96.8	Very high	97	Very high	58 Å²	58	64 Å²	64	35%	0.352	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-44.6	-174.8	170.5	0	0	0	0	113	F81 H88	F81-V86 WeakPolarHBondContact O-CG2 3.4Å; F81-V86 PolarHBondContact O-N 3.44Å; V86-H88 PolarHBondContact O-N 2.74Å
87	P	96.9	Very high	96.9	Very high	83 Å²	83	63.8 Å²	63.8	54%	0.539	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26	-177.8	-24.9	37	0	0	0	114.4	Q82 V85	Q82-P87 WeakPolarHBondContact O-CD 3.33Å; V85-P87 VanDerWaalsContact C-CD 3.46Å
88	H	97.3	Very high	96.9	Very high	75 Å²	75	64 Å²	64	35%	0.347	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-15.1	-171.8	-59.5	-68.7	0	0	0	113.6	E84 V85 V86 K90 E91 W92	E84-H88 PolarHBondContact O-CD2 2.96Å; V85-H88 PolarHBondContact O-N 3.44Å; V85-H88 VanDerWaalsContact O-N 3.12Å; V86-H88 PolarHBondContact O-N 2.74Å; H88-K90 VanDerWaalsContact C-N 3.32Å; H88-K90 PolarHBondContact O-N 2.62Å; H88-E91 WeakPolarHBondContact O-CB 3.27Å; H88-E91 PolarHBondContact O-N 2.91Å; H88-W92 HydrophobicContact CB-CD2 4Å; H88-W92 HydrophobicContact CB-CE3 4.22Å; H88-W92 HydrophobicContact CB-CH2 3.53Å; H88-W92 HydrophobicContact CB-CZ2 3.28Å; H88-W92 HydrophobicContact CB-CZ3 3.99Å; H88-W92 AromaticContact CG-CZ2 3.93Å; H88-W92 PolarHBondContact O-N 3.35Å
89	H	95.3	Very high	96.9	Very high	18 Å²	18	62.4 Å²	62.4	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-40.7	-168.9	-175.2	-92.9	0	0	0	113.7	V85 E91 W92 E93 C142 T143 G144	V85-H89 PolarHBondContact O-N 3.16Å; H89-E91 VanDerWaalsContact C-N 3.26Å; H89-E91 PolarHBondContact O-N 2.77Å; H89-W92 HydrophobicContact CB-CE3 4.43Å; H89-W92 CarbonylContact O-C 3.47Å; H89-W92 WeakPolarHBondContact O-CB 3.45Å; H89-W92 PolarHBondContact O-N 2.72Å; H89-W92 VanDerWaalsContact O-N 3.09Å; H89-E93 IonicContact CE1-OE1 3.17Å; H89-E93 WeakPolarHBondContact O-CG 3.4Å; H89-E93 PolarHBondContact O-N 3.08Å; H89-C142 HydrophobicContact CB-CB 4.41Å; H89-T143 PolarHBondContact NE2-N 3.15Å; H89-G144 PolarHBondContact NE2-N 3.05Å
90	K	93.1	Very high	96.9	Very high	152 Å²	152	60.8 Å²	60.8	66%	0.661	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-33	177.4	-173.8	174.2	-175.9	172.2	0	113.4	H88	H88-K90 VanDerWaalsContact C-N 3.32Å; H88-K90 PolarHBondContact O-N 2.62Å
91	E	96.1	Very high	96.8	Very high	130 Å²	130	65.8 Å²	65.8	61%	0.607	33%	0.326	S	S	*	.	H	α-helix	trans	-74.6	-39.7	175.9	-62.3	-176	160.9	0	0	110.6	H88 H89 E93 K94 A95	H88-E91 WeakPolarHBondContact O-CB 3.27Å; H88-E91 PolarHBondContact O-N 2.91Å; H89-E91 VanDerWaalsContact C-N 3.26Å; H89-E91 PolarHBondContact O-N 2.77Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 3.26Å; E91-K94 WeakPolarHBondContact O-CB 3.41Å; E91-K94 PolarHBondContact O-N 3.29Å; E91-K94 VanDerWaalsContact O-N 3.15Å; E91-A95 PolarHBondContact O-N 3.27Å
92	W	97.1	Very high	96.9	Very high	24 Å²	24	65.8 Å²	65.8	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-34.5	175.2	-60.7	-24.2	0	0	0	112.9	E84 V85 H88 H89 K94 A95 G96 Q97 V98 L102 A268	E84-W92 WeakPolarHBondContact O-CH2 3.41Å; V85-W92 HydrophobicContact CB-CZ3 4.35Å; V85-W92 HydrophobicContact CG1-CZ3 3.9Å; H88-W92 HydrophobicContact CB-CD2 4Å; H88-W92 HydrophobicContact CB-CE3 4.22Å; H88-W92 HydrophobicContact CB-CH2 3.53Å; H88-W92 HydrophobicContact CB-CZ2 3.28Å; H88-W92 HydrophobicContact CB-CZ3 3.99Å; H88-W92 AromaticContact CG-CZ2 3.93Å; H88-W92 PolarHBondContact O-N 3.35Å; H89-W92 HydrophobicContact CB-CE3 4.43Å; H89-W92 CarbonylContact O-C 3.47Å; H89-W92 WeakPolarHBondContact O-CB 3.45Å; H89-W92 PolarHBondContact O-N 2.72Å; H89-W92 VanDerWaalsContact O-N 3.09Å; W92-K94 VanDerWaalsContact C-N 3.26Å; W92-K94 PolarHBondContact O-N 3.29Å; W92-A95 CarbonylContact O-C 3.47Å; W92-A95 PolarHBondContact O-N 2.95Å; W92-G96 PolarHBondContact O-N 3.49Å; W92-Q97 WeakPolarHBondContact CA-O 3.32Å; W92-Q97 VanDerWaalsContact CB-O 3.27Å; W92-Q97 WeakPolarHBondContact CB-O 3.47Å; W92-Q97 PolarHBondContact O-N 3.44Å; W92-V98 HydrophobicContact CB-CG1 4.45Å; W92-V98 HydrophobicContact CD2-CB 4.12Å; W92-V98 HydrophobicContact CD2-CG1 3.99Å; W92-V98 HydrophobicContact CE3-CB 4.18Å; W92-V98 HydrophobicContact CE3-CG1 3.67Å; W92-V98 HydrophobicContact CG-CB 4.43Å; W92-V98 HydrophobicContact CG-CG1 4.36Å; W92-V98 HydrophobicContact CZ3-CG1 4.25Å; W92-L102 HydrophobicContact CE3-CD2 4.48Å; W92-L102 HydrophobicContact CH2-CB 4.33Å; W92-L102 HydrophobicContact CH2-CD1 4.05Å; W92-L102 HydrophobicContact CH2-CD2 3.52Å; W92-L102 HydrophobicContact CH2-CG 4.15Å; W92-L102 HydrophobicContact CZ2-CB 4.45Å; W92-L102 HydrophobicContact CZ2-CD2 4.27Å; W92-L102 HydrophobicContact CZ3-CD2 3.65Å; W92-A268 HydrophobicContact CB-CB 3.73Å
93	E	94	Very high	96.9	Very high	44 Å²	44	61.1 Å²	61.1	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-35.9	172.9	-71.9	-161.1	129.9	0	0	112.3	H89 E91 K267 A268	H89-E93 IonicContact CE1-OE1 3.17Å; H89-E93 WeakPolarHBondContact O-CG 3.4Å; H89-E93 PolarHBondContact O-N 3.08Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 3.26Å; E93-K267 HydrophobicContact CB-CB 3.95Å; E93-K267 HydrophobicContact CG-CB 4.06Å; E93-A268 HydrophobicContact CG-CB 3.88Å
94	K	94.3	Very high	96.9	Very high	171 Å²	171	60.8 Å²	60.8	74%	0.743	30%	0.303	S	S	*	.	H	α-helix	trans	-73.7	-38.8	173.9	-63.7	175.6	-177.4	177.4	0	111.6	E91 W92 G96	E91-K94 WeakPolarHBondContact O-CB 3.41Å; E91-K94 PolarHBondContact O-N 3.29Å; E91-K94 VanDerWaalsContact O-N 3.15Å; W92-K94 VanDerWaalsContact C-N 3.26Å; W92-K94 PolarHBondContact O-N 3.29Å; K94-G96 PolarHBondContact O-N 3.33Å
95	A	96.1	Very high	96.9	Very high	50 Å²	50	61 Å²	61	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-71.5	-19.4	179	0	0	0	0	0	113	E91 W92 Q97 K260	E91-A95 PolarHBondContact O-N 3.27Å; W92-A95 CarbonylContact O-C 3.47Å; W92-A95 PolarHBondContact O-N 2.95Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 HydrophobicContact CB-CG 4.48Å; A95-Q97 PolarHBondContact O-N 3.48Å; A95-K260 PolarHBondContact O-NZ 3.27Å
96	G	96.2	Very high	97	Very high	20 Å²	20	61 Å²	61	21%	0.206	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	13.4	-176.3	0	0	0	0	0	114.1	W92 K94 K267 D270	W92-G96 PolarHBondContact O-N 3.49Å; K94-G96 PolarHBondContact O-N 3.33Å; G96-K267 CarbonylContact C-O 3.56Å; G96-K267 WeakPolarHBondContact CA-O 3.46Å; G96-D270 WeakPolarHBondContact O-CA 3.3Å
97	Q	97.3	Very high	97	Very high	49 Å²	49	58.9 Å²	58.9	23%	0.229	29%	0.293	C	S	.	.	S	Bend	trans	-168.3	157.5	-175.9	68.5	-175.3	61.6	0	0	110.9	W92 A95 M222 A268 D270	W92-Q97 WeakPolarHBondContact CA-O 3.32Å; W92-Q97 VanDerWaalsContact CB-O 3.27Å; W92-Q97 WeakPolarHBondContact CB-O 3.47Å; W92-Q97 PolarHBondContact O-N 3.44Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 HydrophobicContact CB-CG 4.48Å; A95-Q97 PolarHBondContact O-N 3.48Å; Q97-M222 HydrophobicContact CB-CG 4.45Å; Q97-M222 HydrophobicContact CB-SD 3.94Å; Q97-M222 HydrophobicContact CG-SD 4.49Å; Q97-A268 CarbonylContact C-O 3.59Å; Q97-A268 WeakPolarHBondContact CA-O 3.22Å; Q97-D270 HydrophobicContact CB-CB 4.04Å
98	V	98.1	Very high	97.1	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	30%	0.301	C	S	.	.			trans	-80.6	172.7	167.9	-59.1	0	0	0	0	112.2	W92 L102 G144 P145 M222 A268	W92-V98 HydrophobicContact CB-CG1 4.45Å; W92-V98 HydrophobicContact CD2-CB 4.12Å; W92-V98 HydrophobicContact CD2-CG1 3.99Å; W92-V98 HydrophobicContact CE3-CB 4.18Å; W92-V98 HydrophobicContact CE3-CG1 3.67Å; W92-V98 HydrophobicContact CG-CB 4.43Å; W92-V98 HydrophobicContact CG-CG1 4.36Å; W92-V98 HydrophobicContact CZ3-CG1 4.25Å; V98-L102 HydrophobicContact CB-CD2 3.95Å; V98-L102 HydrophobicContact CG1-CD2 4.14Å; V98-L102 HydrophobicContact CG2-CD2 4.29Å; V98-G144 VanDerWaalsContact CG1-C 3.46Å; V98-P145 HydrophobicContact CG1-CG 4.27Å; V98-M222 HydrophobicContact CG2-CE 4.48Å; V98-M222 HydrophobicContact CG2-SD 4.12Å; V98-M222 WeakPolarHBondContact O-CE 3.48Å; V98-A268 PolarHBondContact N-O 2.86Å; V98-A268 VanDerWaalsContact N-O 3.16Å
99	S	98.1	Very high	97.1	Very high	39 Å²	39	63.2 Å²	63.2	27%	0.273	31%	0.306	S	S	.	.			trans	-78.7	153.6	174.6	74.4	0	0	0	0	112.1	E101 L102 W103	S99-E101 VanDerWaalsContact C-N 3.34Å; S99-L102 PolarHBondContact O-N 3.23Å; S99-L102 WeakPolarHBondContact OG-CB 3.43Å; S99-L102 PolarHBondContact OG-N 3.22Å; S99-W103 VanDerWaalsContact O-CD1 3.29Å
100	R	97.9	Very high	97.1	Very high	99 Å²	99	62.8 Å²	62.8	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-35.5	169.2	-80.5	-164.9	175.7	-92.3	5.6	112.4	L102 W103 E104 M222 D224	R100-L102 PolarHBondContact O-N 2.7Å; R100-W103 WeakPolarHBondContact O-CB 3.35Å; R100-W103 PolarHBondContact O-N 3.24Å; R100-E104 PolarHBondContact O-N 3.11Å; R100-M222 HydrophobicContact CG-CE 3.81Å; R100-M222 PolarHBondContact NH2-O 2.87Å; R100-D224 IonicContact CZ-OD1 3.56Å; R100-D224 IonicContact CZ-OD2 2.74Å; R100-D224 IonicContact NH1-OD1 3.74Å; R100-D224 PolarHBondContact NH1-OD1 2.93Å; R100-D224 IonicContact NH1-OD2 3.53Å; R100-D224 PolarHBondContact NH1-OD2 2.89Å; R100-D224 IonicContact NH2-OD1 3.82Å; R100-D224 PolarHBondContact NH2-OD1 3.19Å; R100-D224 IonicContact NH2-OD2 2.84Å; R100-D224 PolarHBondContact NH2-OD2 2.8Å
101	E	98.4	Very high	97.4	Very high	119 Å²	119	55.8 Å²	55.8	56%	0.556	28%	0.277	S	S	*	.	H	α-helix	trans	-56.2	-38.6	176.2	-173.3	-171.8	154.2	0	0	111.8	S99 W103 E104 K105	S99-E101 VanDerWaalsContact C-N 3.34Å; E101-W103 VanDerWaalsContact C-N 3.3Å; E101-W103 PolarHBondContact O-N 3.17Å; E101-E104 PolarHBondContact O-N 3.16Å; E101-K105 HydrophobicContact CG-CD 4.34Å; E101-K105 WeakPolarHBondContact O-CG 3.22Å; E101-K105 PolarHBondContact O-N 3.2Å; E101-K105 WeakPolarHBondContact OE1-CE 3.27Å; E101-K105 IonicContact OE1-NZ 3.63Å; E101-K105 PolarHBondContact OE1-NZ 3.31Å
102	L	98.7	Very high	97.5	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-39.1	175.8	-179.6	69.1	0	0	0	112.4	F80 E84 V85 W92 V98 S99 R100 A106 P145 F147	F80-L102 HydrophobicContact CE1-CD1 4.17Å; F80-L102 HydrophobicContact CZ-CD1 3.75Å; E84-L102 HydrophobicContact CB-CD1 4.17Å; V85-L102 HydrophobicContact CG2-CD1 3.9Å; V85-L102 HydrophobicContact CG2-CD2 4.39Å; W92-L102 HydrophobicContact CE3-CD2 4.48Å; W92-L102 HydrophobicContact CH2-CB 4.33Å; W92-L102 HydrophobicContact CH2-CD1 4.05Å; W92-L102 HydrophobicContact CH2-CD2 3.52Å; W92-L102 HydrophobicContact CH2-CG 4.15Å; W92-L102 HydrophobicContact CZ2-CB 4.45Å; W92-L102 HydrophobicContact CZ2-CD2 4.27Å; W92-L102 HydrophobicContact CZ3-CD2 3.65Å; V98-L102 HydrophobicContact CB-CD2 3.95Å; V98-L102 HydrophobicContact CG1-CD2 4.14Å; V98-L102 HydrophobicContact CG2-CD2 4.29Å; S99-L102 PolarHBondContact O-N 3.23Å; S99-L102 WeakPolarHBondContact OG-CB 3.43Å; S99-L102 PolarHBondContact OG-N 3.22Å; R100-L102 PolarHBondContact O-N 2.7Å; L102-A106 WeakPolarHBondContact O-CB 3.11Å; L102-A106 PolarHBondContact O-N 3.39Å; L102-P145 HydrophobicContact CD2-CB 4.49Å; L102-P145 HydrophobicContact CD2-CG 3.85Å; L102-F147 HydrophobicContact CD2-CZ 4.18Å; L102-F147 HydrophobicContact CG-CZ 4.03Å
103	W	98.8	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-45.7	177.3	-73.2	92	0	0	0	111.2	S99 R100 E101 A106 G107 L112 G146 F147 H150 G177 I180	S99-W103 VanDerWaalsContact O-CD1 3.29Å; R100-W103 WeakPolarHBondContact O-CB 3.35Å; R100-W103 PolarHBondContact O-N 3.24Å; E101-W103 VanDerWaalsContact C-N 3.3Å; E101-W103 PolarHBondContact O-N 3.17Å; W103-A106 PolarHBondContact O-N 3.19Å; W103-G107 PolarHBondContact O-N 3.28Å; W103-L112 HydrophobicContact CE3-CD1 3.91Å; W103-L112 HydrophobicContact CE3-CD2 4.03Å; W103-L112 HydrophobicContact CZ3-CD2 4.06Å; W103-L112 WeakPolarHBondContact O-CD1 3.49Å; W103-G146 WeakPolarHBondContact CH2-O 3.48Å; W103-F147 HydrophobicContact CD2-CD1 4.12Å; W103-F147 AromaticContact CD2-CE1 3.75Å; W103-F147 HydrophobicContact CD2-CE1 3.75Å; W103-F147 AromaticContact CE3-CD1 3.67Å; W103-F147 HydrophobicContact CE3-CD1 3.67Å; W103-F147 AromaticContact CE3-CE1 3.68Å; W103-F147 HydrophobicContact CE3-CE1 3.68Å; W103-F147 HydrophobicContact CG-CE1 4.3Å; W103-F147 AromaticContact CH2-CD1 3.76Å; W103-F147 HydrophobicContact CH2-CD1 3.76Å; W103-F147 HydrophobicContact CH2-CE1 4.32Å; W103-F147 HydrophobicContact CZ2-CD1 4.18Å; W103-F147 HydrophobicContact CZ2-CE1 4.38Å; W103-F147 AromaticContact CZ3-CD1 3.48Å; W103-F147 HydrophobicContact CZ3-CD1 3.48Å; W103-F147 VanDerWaalsContact CZ3-CD1 3.48Å; W103-F147 AromaticContact CZ3-CE1 3.98Å; W103-F147 HydrophobicContact CZ3-CE1 3.98Å; W103-H150 HydrophobicContact CH2-CB 3.78Å; W103-H150 HydrophobicContact CZ3-CB 3.62Å; W103-H150 AromaticContact CZ3-CG 3.58Å; W103-H150 AromaticContact CZ3-ND1 3.9Å; W103-G177 WeakPolarHBondContact CB-O 3.35Å; W103-I180 HydrophobicContact CD2-CD1 3.84Å; W103-I180 HydrophobicContact CD2-CG1 3.78Å; W103-I180 HydrophobicContact CE3-CG1 4.11Å; W103-I180 HydrophobicContact CG-CD1 3.75Å; W103-I180 HydrophobicContact CG-CG1 4.03Å; W103-I180 HydrophobicContact CH2-CG2 3.92Å; W103-I180 HydrophobicContact CZ2-CD1 4.38Å; W103-I180 HydrophobicContact CZ2-CG1 4.42Å; W103-I180 HydrophobicContact CZ2-CG2 3.85Å; W103-I180 HydrophobicContact CZ3-CG2 4.37Å
104	E	98.6	Very high	97.7	Very high	84 Å²	84	46.6 Å²	46.6	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-44.3	177.6	-66.6	-178	-140.7	0	0	111.4	R100 E101 A106 G107 E108	R100-E104 PolarHBondContact O-N 3.11Å; E101-E104 PolarHBondContact O-N 3.16Å; E104-A106 VanDerWaalsContact C-N 3.34Å; E104-A106 PolarHBondContact O-N 3.48Å; E104-G107 PolarHBondContact O-N 2.65Å; E104-G107 VanDerWaalsContact O-N 3.12Å; E104-E108 WeakPolarHBondContact O-CG 3.47Å; E104-E108 PolarHBondContact O-N 3.13Å
105	K	98.6	Very high	97.8	Very high	59 Å²	59	40.6 Å²	40.6	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-58.9	-42.4	173.6	-74.7	177.6	170.9	178.6	0	112.7	F80 E84 E101 G107 E108 Q109	F80-K105 HydrophobicContact CE2-CB 4.22Å; E84-K105 VanDerWaalsContact OE2-CD 3.28Å; E84-K105 WeakPolarHBondContact OE2-CD 3.33Å; E84-K105 WeakPolarHBondContact OE2-CE 3.27Å; E84-K105 IonicContact OE2-NZ 3.05Å; E84-K105 PolarHBondContact OE2-NZ 3.01Å; E101-K105 HydrophobicContact CG-CD 4.34Å; E101-K105 WeakPolarHBondContact O-CG 3.22Å; E101-K105 PolarHBondContact O-N 3.2Å; E101-K105 WeakPolarHBondContact OE1-CE 3.27Å; E101-K105 IonicContact OE1-NZ 3.63Å; E101-K105 PolarHBondContact OE1-NZ 3.31Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-E108 PolarHBondContact O-N 3.33Å; K105-Q109 WeakPolarHBondContact O-CG 3.45Å; K105-Q109 PolarHBondContact O-N 2.97Å; K105-Q109 VanDerWaalsContact O-N 3.12Å
106	A	98.6	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-39.9	175.9	0	0	0	0	0	111.5	F80 L102 W103 E104 Q109 G110 L111 L112 F147	F80-A106 HydrophobicContact CE1-CB 4.38Å; F80-A106 HydrophobicContact CE2-CB 4.42Å; F80-A106 HydrophobicContact CZ-CB 3.79Å; L102-A106 WeakPolarHBondContact O-CB 3.11Å; L102-A106 PolarHBondContact O-N 3.39Å; W103-A106 PolarHBondContact O-N 3.19Å; E104-A106 VanDerWaalsContact C-N 3.34Å; E104-A106 PolarHBondContact O-N 3.48Å; A106-Q109 PolarHBondContact O-N 2.84Å; A106-G110 PolarHBondContact O-N 2.99Å; A106-L111 HydrophobicContact CB-CB 4.31Å; A106-L111 WeakPolarHBondContact O-CB 3.36Å; A106-L111 PolarHBondContact O-N 2.88Å; A106-L112 HydrophobicContact CB-CD1 4.27Å; A106-L112 HydrophobicContact CB-CD2 4.1Å; A106-L112 HydrophobicContact CB-CG 3.93Å; A106-F147 HydrophobicContact CB-CD2 4.44Å; A106-F147 HydrophobicContact CB-CE1 4.08Å; A106-F147 HydrophobicContact CB-CE2 3.63Å; A106-F147 HydrophobicContact CB-CZ 3.41Å; A106-F147 VanDerWaalsContact CB-CZ 3.41Å
107	G	98.3	Very high	97.8	Very high	13 Å²	13	40.1 Å²	40.1	13%	0.134	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-44.2	174.5	0	0	0	0	0	113	W103 E104 K105 Q109 G110 T175	W103-G107 PolarHBondContact O-N 3.28Å; E104-G107 PolarHBondContact O-N 2.65Å; E104-G107 VanDerWaalsContact O-N 3.12Å; K105-G107 VanDerWaalsContact C-N 3.32Å; G107-Q109 PolarHBondContact O-N 3.22Å; G107-G110 PolarHBondContact O-N 3.38Å; G107-T175 WeakPolarHBondContact CA-O 3.25Å
108	E	97.6	Very high	97.6	Very high	151 Å²	151	43.7 Å²	43.7	71%	0.706	22%	0.215	S	C	*	.	H	α-helix	trans	-59.7	-33.7	175.4	-72.4	178.3	176	0	0	113	E104 K105 G110	E104-E108 WeakPolarHBondContact O-CG 3.47Å; E104-E108 PolarHBondContact O-N 3.13Å; K105-E108 PolarHBondContact O-N 3.33Å; E108-G110 VanDerWaalsContact C-N 3.3Å
109	Q	97.2	Very high	97.3	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.2	176.8	-63.9	-64.7	-27.5	0	0	113.5	F80 K105 A106 G107 L111	F80-Q109 HydrophobicContact CD2-CB 4.48Å; F80-Q109 HydrophobicContact CD2-CG 4.07Å; F80-Q109 HydrophobicContact CE2-CG 4.36Å; K105-Q109 WeakPolarHBondContact O-CG 3.45Å; K105-Q109 PolarHBondContact O-N 2.97Å; K105-Q109 VanDerWaalsContact O-N 3.12Å; A106-Q109 PolarHBondContact O-N 2.84Å; G107-Q109 PolarHBondContact O-N 3.22Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-L111 HydrophobicContact CB-CD1 4.18Å; Q109-L111 HydrophobicContact CB-CG 3.93Å
110	G	96.9	Very high	97	Very high	10 Å²	10	51.5 Å²	51.5	10%	0.103	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	25.7	-179.3	0	0	0	0	0	114.1	A106 G107 E108 I123	A106-G110 PolarHBondContact O-N 2.99Å; G107-G110 PolarHBondContact O-N 3.38Å; E108-G110 VanDerWaalsContact C-N 3.3Å; G110-I123 VanDerWaalsContact O-CD1 3.32Å; G110-I123 WeakPolarHBondContact O-CD1 3.48Å
111	L	98.2	Very high	96.5	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	25%	0.25	C	C	.	.			trans	-92.7	-3.6	-178.3	-56.7	-175.2	0	0	0	113.4	F73 V77 F80 A106 Q109	F73-L111 HydrophobicContact CE2-CD2 4.14Å; F73-L111 HydrophobicContact CZ-CD2 3.97Å; V77-L111 HydrophobicContact CG2-CD2 3.76Å; F80-L111 HydrophobicContact CB-CD1 3.75Å; F80-L111 HydrophobicContact CD1-CD1 3.46Å; F80-L111 VanDerWaalsContact CD1-CD1 3.46Å; F80-L111 HydrophobicContact CD2-CD1 3.8Å; F80-L111 HydrophobicContact CE1-CD1 3.98Å; F80-L111 HydrophobicContact CE2-CD1 4.25Å; F80-L111 HydrophobicContact CG-CD1 3.36Å; F80-L111 HydrophobicContact CZ-CD1 4.34Å; A106-L111 HydrophobicContact CB-CB 4.31Å; A106-L111 WeakPolarHBondContact O-CB 3.36Å; A106-L111 PolarHBondContact O-N 2.88Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-L111 HydrophobicContact CB-CD1 4.18Å; Q109-L111 HydrophobicContact CB-CG 3.93Å
112	L	98.6	Very high	96.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	-108.4	132.4	173.8	-57.5	-178.9	0	0	0	109.8	W103 A106 F147 G177	W103-L112 HydrophobicContact CE3-CD1 3.91Å; W103-L112 HydrophobicContact CE3-CD2 4.03Å; W103-L112 HydrophobicContact CZ3-CD2 4.06Å; W103-L112 WeakPolarHBondContact O-CD1 3.49Å; A106-L112 HydrophobicContact CB-CD1 4.27Å; A106-L112 HydrophobicContact CB-CD2 4.1Å; A106-L112 HydrophobicContact CB-CG 3.93Å; L112-F147 HydrophobicContact CD2-CB 3.9Å; L112-F147 HydrophobicContact CD2-CD1 3.52Å; L112-F147 HydrophobicContact CD2-CD2 4.24Å; L112-F147 HydrophobicContact CD2-CE1 4.01Å; L112-F147 HydrophobicContact CD2-CG 3.64Å; L112-G177 VanDerWaalsContact CD1-CA 3.43Å
113	G	97.9	Very high	96	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	60.6	47.1	-176.7	0	0	0	0	0	112.8	M115 I116 S151 M155	G113-M115 PolarHBondContact O-N 3.12Å; G113-I116 VanDerWaalsContact O-CB 3.23Å; G113-I116 WeakPolarHBondContact O-CB 3.33Å; G113-I116 WeakPolarHBondContact O-CG1 3.16Å; G113-I116 PolarHBondContact O-N 3.42Å; G113-S151 VanDerWaalsContact N-CB 3.31Å; G113-S151 PolarHBondContact N-OG 2.85Å; G113-M155 WeakPolarHBondContact CA-SD 3.12Å
114	V	98.1	Very high	95.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-43.7	-177	171	0	0	0	0	111.9	F73 I116 I123 G124 G125 T133	F73-V114 HydrophobicContact CZ-CG2 4.34Å; V114-I116 VanDerWaalsContact C-N 3.28Å; V114-I116 PolarHBondContact O-N 3.31Å; V114-I123 HydrophobicContact CG1-CD1 4.18Å; V114-I123 HydrophobicContact CG1-CG1 4.37Å; V114-I123 WeakPolarHBondContact O-CG1 3.18Å; V114-G124 PolarHBondContact O-N 3.39Å; V114-G125 WeakPolarHBondContact O-CA 3.23Å; V114-G125 PolarHBondContact O-N 3.17Å; V114-T133 HydrophobicContact CG2-CG2 3.85Å
115	M	96.4	Very high	95.7	Very high	46 Å²	46	45.7 Å²	45.7	23%	0.227	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.3	179.1	-63.1	-172.5	-69.4	0	0	114.5	G113 G125 A130 D152	G113-M115 PolarHBondContact O-N 3.12Å; M115-G125 WeakPolarHBondContact CA-O 3.25Å; M115-A130 HydrophobicContact CE-CB 4.11Å; M115-A130 HydrophobicContact CG-CB 3.88Å; M115-A130 HydrophobicContact SD-CB 4.05Å; M115-D152 WeakPolarHBondContact CE-OD1 3.39Å
116	I	97.3	Very high	95.6	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.051	26%	0.261	C	S	.	.	S	Bend	trans	-71	130.7	180	-61	-45.6	0	0	0	109	G113 V114 H120 G122 I123 G124 M155 V159 I171 T175	G113-I116 VanDerWaalsContact O-CB 3.23Å; G113-I116 WeakPolarHBondContact O-CB 3.33Å; G113-I116 WeakPolarHBondContact O-CG1 3.16Å; G113-I116 PolarHBondContact O-N 3.42Å; V114-I116 VanDerWaalsContact C-N 3.28Å; V114-I116 PolarHBondContact O-N 3.31Å; I116-H120 HydrophobicContact CG2-CB 3.71Å; I116-G122 CarbonylContact O-C 3.41Å; I116-G122 VanDerWaalsContact O-CA 3.28Å; I116-G122 WeakPolarHBondContact O-CA 3.32Å; I116-I123 PolarHBondContact O-N 2.9Å; I116-G124 WeakPolarHBondContact O-CA 3.36Å; I116-G124 PolarHBondContact O-N 2.99Å; I116-M155 HydrophobicContact CD1-CB 4.11Å; I116-M155 HydrophobicContact CD1-SD 4.17Å; I116-M155 HydrophobicContact CG1-SD 3.6Å; I116-V159 HydrophobicContact CD1-CG2 3.88Å; I116-I171 HydrophobicContact CG1-CG2 4.46Å; I116-I171 HydrophobicContact CG2-CG2 3.54Å; I116-T175 HydrophobicContact CB-CG2 4.29Å; I116-T175 HydrophobicContact CG1-CG2 4.38Å; I116-T175 HydrophobicContact CG2-CG2 4.22Å
117	P	94.1	Very high	95.6	Very high	50 Å²	50	46.8 Å²	46.8	33%	0.325	27%	0.266	S	S	.	.			trans	-55.4	148.1	176.3	-27.6	35.8	0	0	0	112.9	E119 H120 G121 G122	P117-E119 HydrophobicContact CB-CG 3.86Å; P117-E119 PolarHBondContact O-N 2.97Å; P117-H120 PolarHBondContact O-N 2.69Å; P117-G121 PolarHBondContact O-N 3.41Å; P117-G122 PolarHBondContact O-N 3.4Å
118	E	93.3	Very high	95.6	Very high	123 Å²	123	47.4 Å²	47.4	58%	0.575	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-57.2	-35.2	178.3	-65.1	-168	164.6	0	0	112.5	H120 G121 G122	E118-H120 PolarHBondContact O-N 3.35Å; E118-H120 VanDerWaalsContact O-N 3.14Å; E118-G121 PolarHBondContact O-N 3.29Å; E118-G122 WeakPolarHBondContact CA-O 3.49Å
119	E	92.3	Very high	95.6	Very high	162 Å²	162	40.9 Å²	40.9	76%	0.757	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-62.5	-18.5	177.3	62.4	-179.2	-171	0	0	113.9	P117	P117-E119 HydrophobicContact CB-CG 3.86Å; P117-E119 PolarHBondContact O-N 2.97Å
120	H	90.9	Very high	95.7	Very high	46 Å²	46	36.2 Å²	36.2	21%	0.213	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-104.8	4.4	174.8	-61.3	-32.2	0	0	0	112.7	I116 P117 E118 I167 I171	I116-H120 HydrophobicContact CG2-CB 3.71Å; P117-H120 PolarHBondContact O-N 2.69Å; E118-H120 PolarHBondContact O-N 3.35Å; E118-H120 VanDerWaalsContact O-N 3.14Å; H120-I167 HydrophobicContact CB-CG2 4.43Å; H120-I171 HydrophobicContact CB-CG2 3.99Å; H120-I171 WeakPolarHBondContact O-CG2 3.48Å
121	G	87.4	Confident	95.8	Very high	41 Å²	41	35.8 Å²	35.8	42%	0.423	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	11.6	176.7	0	0	0	0	0	115.2	P117 E118 T175	P117-G121 PolarHBondContact O-N 3.41Å; E118-G121 PolarHBondContact O-N 3.29Å; G121-T175 VanDerWaalsContact O-CB 3.24Å; G121-T175 WeakPolarHBondContact O-CB 3.43Å; G121-T175 PolarHBondContact O-OG1 3.44Å
122	G	92.6	Very high	95.8	Very high	11 Å²	11	35.5 Å²	35.5	11%	0.113	21%	0.209	C	C	.	.	S	Bend	trans	-88.3	-166.2	168.7	0	0	0	0	0	112.6	I116 P117 E118	I116-G122 CarbonylContact O-C 3.41Å; I116-G122 VanDerWaalsContact O-CA 3.28Å; I116-G122 WeakPolarHBondContact O-CA 3.32Å; P117-G122 PolarHBondContact O-N 3.4Å; E118-G122 WeakPolarHBondContact CA-O 3.49Å
123	I	94.3	Very high	95.8	Very high	67 Å²	67	36 Å²	36	34%	0.344	21%	0.212	S	C	.	.			trans	-108	1.4	178.3	65.6	163.6	0	0	0	113.9	F73 G110 V114 I116 G125	F73-I123 HydrophobicContact CE2-CD1 4.21Å; G110-I123 VanDerWaalsContact O-CD1 3.32Å; G110-I123 WeakPolarHBondContact O-CD1 3.48Å; V114-I123 HydrophobicContact CG1-CD1 4.18Å; V114-I123 HydrophobicContact CG1-CG1 4.37Å; V114-I123 WeakPolarHBondContact O-CG1 3.18Å; I116-I123 PolarHBondContact O-N 2.9Å; I123-G125 PolarHBondContact O-N 3.02Å
124	G	95.3	Very high	95.8	Very high	43 Å²	43	36 Å²	36	44%	0.443	21%	0.212	S	C	.	.			trans	62.7	26.1	177	0	0	0	0	0	114.7	V114 I116	V114-G124 PolarHBondContact O-N 3.39Å; I116-G124 WeakPolarHBondContact O-CA 3.36Å; I116-G124 PolarHBondContact O-N 2.99Å
125	G	96.5	Very high	95.8	Very high	21 Å²	21	36 Å²	36	22%	0.216	21%	0.211	C	C	.	.			trans	-67.6	166.3	175.5	0	0	0	0	0	112.3	V114 M115 I123	V114-G125 WeakPolarHBondContact O-CA 3.23Å; V114-G125 PolarHBondContact O-N 3.17Å; M115-G125 WeakPolarHBondContact CA-O 3.25Å; I123-G125 PolarHBondContact O-N 3.02Å
126	D	97	Very high	95.9	Very high	62 Å²	62	34 Å²	34	33%	0.332	20%	0.201	S	C	.	.			trans	-95.3	179.3	178	67	3.2	0	0	0	112.5	H70 F128 S129 A130	H70-D126 IonicContact CE1-OD1 3.74Å; H70-D126 IonicContact CE1-OD2 2.74Å; H70-D126 PolarHBondContact CE1-OD2 3.29Å; H70-D126 IonicContact NE2-OD1 2.78Å; H70-D126 PolarHBondContact NE2-OD1 3Å; H70-D126 VanDerWaalsContact NE2-OD1 3.16Å; H70-D126 IonicContact NE2-OD2 3.31Å; H70-D126 PolarHBondContact NE2-OD2 3.4Å; H70-D126 VanDerWaalsContact NE2-OD2 3.12Å; D126-F128 PolarHBondContact O-N 3.27Å; D126-F128 PolarHBondContact OD1-N 2.93Å; D126-F128 WeakPolarHBondContact OD2-CD2 3.43Å; D126-S129 WeakPolarHBondContact O-CB 3.39Å; D126-S129 PolarHBondContact O-N 2.88Å; D126-S129 VanDerWaalsContact O-N 3.15Å; D126-S129 WeakPolarHBondContact OD1-CB 3.27Å; D126-S129 PolarHBondContact OD1-N 3.12Å; D126-S129 PolarHBondContact OD1-OG 2.99Å; D126-A130 PolarHBondContact O-N 3.46Å
127	T	97.4	Very high	95.9	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-33.6	177	-56.1	0	0	0	0	112.5	A130 A131 L365 L368	T127-A130 PolarHBondContact O-N 2.82Å; T127-A131 WeakPolarHBondContact O-CB 3.44Å; T127-A131 PolarHBondContact O-N 3.36Å; T127-L365 HydrophobicContact CG2-CD2 4.36Å; T127-L368 HydrophobicContact CG2-CB 4.25Å; T127-L368 HydrophobicContact CG2-CD2 3.66Å; T127-L368 HydrophobicContact CG2-CG 3.95Å
128	F	98.5	Very high	96	Very high	26 Å²	26	31.5 Å²	31.5	11%	0.114	19%	0.185	C	C	.	.	H	α-helix	trans	-72.2	-36.8	179.4	-56.8	-56.8	0	0	0	111.6	I65 F66 H70 D126 A131 I132 L365 Q366	I65-F128 HydrophobicContact CB-CD1 4.38Å; I65-F128 HydrophobicContact CB-CE1 4.14Å; I65-F128 HydrophobicContact CD1-CD1 4.04Å; I65-F128 HydrophobicContact CD1-CE1 4.24Å; I65-F128 HydrophobicContact CG1-CD1 4.29Å; I65-F128 HydrophobicContact CG1-CE1 4.49Å; F66-F128 HydrophobicContact CD1-CB 3.92Å; F66-F128 HydrophobicContact CE1-CB 3.83Å; F66-F128 HydrophobicContact CE1-CD1 4.49Å; H70-F128 AromaticContact CE1-CD2 3.97Å; D126-F128 PolarHBondContact O-N 3.27Å; D126-F128 PolarHBondContact OD1-N 2.93Å; D126-F128 WeakPolarHBondContact OD2-CD2 3.43Å; F128-A131 PolarHBondContact O-N 3.46Å; F128-I132 WeakPolarHBondContact O-CD1 3.42Å; F128-I132 VanDerWaalsContact O-CG1 3.3Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 3.18Å; F128-L365 HydrophobicContact CD1-CB 4.48Å; F128-L365 HydrophobicContact CE1-CB 4.18Å; F128-Q366 HydrophobicContact CE1-CG 4.26Å; F128-Q366 HydrophobicContact CZ-CG 4.17Å
129	S	98.4	Very high	96.2	Very high	15 Å²	15	26.5 Å²	26.5	11%	0.105	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-42.9	171.8	-56	0	0	0	0	111.2	F73 D126 I132 T133	F73-S129 VanDerWaalsContact CE1-O 3.31Å; F73-S129 WeakPolarHBondContact CE1-O 3.37Å; D126-S129 WeakPolarHBondContact O-CB 3.39Å; D126-S129 PolarHBondContact O-N 2.88Å; D126-S129 VanDerWaalsContact O-N 3.15Å; D126-S129 WeakPolarHBondContact OD1-CB 3.27Å; D126-S129 PolarHBondContact OD1-N 3.12Å; D126-S129 PolarHBondContact OD1-OG 2.99Å; S129-I132 WeakPolarHBondContact O-CB 3.46Å; S129-I132 PolarHBondContact O-N 2.94Å; S129-T133 PolarHBondContact O-N 2.8Å
130	A	98.3	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-46.9	172.6	0	0	0	0	0	111.9	M115 D126 T127 I132 T133 W134	M115-A130 HydrophobicContact CE-CB 4.11Å; M115-A130 HydrophobicContact CG-CB 3.88Å; M115-A130 HydrophobicContact SD-CB 4.05Å; D126-A130 PolarHBondContact O-N 3.46Å; T127-A130 PolarHBondContact O-N 2.82Å; A130-I132 VanDerWaalsContact C-N 3.28Å; A130-I132 PolarHBondContact O-N 2.91Å; A130-T133 WeakPolarHBondContact O-CB 3.1Å; A130-T133 PolarHBondContact O-N 3.01Å; A130-T133 PolarHBondContact O-OG1 3Å; A130-W134 HydrophobicContact CB-CH2 4.34Å; A130-W134 HydrophobicContact CB-CZ2 3.71Å; A130-W134 PolarHBondContact O-N 3.22Å; A130-W134 PolarHBondContact O-NE1 3.35Å
131	A	98.6	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55	-42.8	176.9	0	0	0	0	0	112.3	T127 F128 T133 W134 E135 L365	T127-A131 WeakPolarHBondContact O-CB 3.44Å; T127-A131 PolarHBondContact O-N 3.36Å; F128-A131 PolarHBondContact O-N 3.46Å; A131-T133 PolarHBondContact O-N 2.97Å; A131-W134 HydrophobicContact CB-CE3 4.01Å; A131-W134 HydrophobicContact CB-CZ3 4.12Å; A131-W134 WeakPolarHBondContact O-CB 3.22Å; A131-W134 PolarHBondContact O-N 3.29Å; A131-E135 VanDerWaalsContact O-CG 3.28Å; A131-E135 WeakPolarHBondContact O-CG 3.43Å; A131-E135 PolarHBondContact O-N 2.87Å; A131-L365 HydrophobicContact CB-CD1 4.01Å; A131-L365 HydrophobicContact CB-CD2 3.89Å
132	I	98.8	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-52.7	-41.5	174.2	-74.4	160.9	0	0	0	112.2	F66 H70 F73 R74 V77 F128 S129 A130 E136	F66-I132 HydrophobicContact CD1-CD1 4.08Å; F66-I132 HydrophobicContact CD1-CG1 4.37Å; F66-I132 HydrophobicContact CE1-CD1 4.05Å; F66-I132 HydrophobicContact CE1-CG1 3.88Å; F66-I132 HydrophobicContact CZ-CG1 4.23Å; H70-I132 HydrophobicContact CB-CD1 3.74Å; H70-I132 WeakPolarHBondContact O-CD1 3.44Å; F73-I132 HydrophobicContact CD1-CB 4.14Å; F73-I132 HydrophobicContact CD1-CD1 4.13Å; F73-I132 HydrophobicContact CD1-CG2 3.78Å; F73-I132 HydrophobicContact CE1-CB 4.3Å; F73-I132 HydrophobicContact CE1-CG2 4.05Å; R74-I132 VanDerWaalsContact CA-CG2 3.47Å; R74-I132 HydrophobicContact CB-CD1 4.36Å; R74-I132 HydrophobicContact CB-CG1 4.37Å; R74-I132 HydrophobicContact CB-CG2 3.65Å; R74-I132 HydrophobicContact CG-CG2 3.95Å; R74-I132 VanDerWaalsContact NH2-CG1 3.34Å; V77-I132 HydrophobicContact CB-CG2 4.23Å; V77-I132 HydrophobicContact CG2-CG2 4Å; F128-I132 WeakPolarHBondContact O-CD1 3.42Å; F128-I132 VanDerWaalsContact O-CG1 3.3Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 3.18Å; S129-I132 WeakPolarHBondContact O-CB 3.46Å; S129-I132 PolarHBondContact O-N 2.94Å; A130-I132 VanDerWaalsContact C-N 3.28Å; A130-I132 PolarHBondContact O-N 2.91Å; I132-E136 HydrophobicContact CG2-CG 4.23Å; I132-E136 WeakPolarHBondContact O-CB 3.37Å; I132-E136 VanDerWaalsContact O-CG 3.26Å; I132-E136 WeakPolarHBondContact O-CG 3.43Å; I132-E136 PolarHBondContact O-N 2.8Å
133	T	98.4	Very high	96.1	Very high	13 Å²	13	17.2 Å²	17.2	8%	0.08	11%	0.108	C	C	.	.	H	α-helix	trans	-65.4	-38.7	177.7	70.6	0	0	0	0	112.8	F73 V77 V114 S129 A130 A131 Q137	F73-T133 HydrophobicContact CE1-CG2 3.94Å; F73-T133 HydrophobicContact CZ-CG2 4.03Å; V77-T133 HydrophobicContact CG1-CG2 4.41Å; V77-T133 HydrophobicContact CG2-CG2 4.19Å; V114-T133 HydrophobicContact CG2-CG2 3.85Å; S129-T133 PolarHBondContact O-N 2.8Å; A130-T133 WeakPolarHBondContact O-CB 3.1Å; A130-T133 PolarHBondContact O-N 3.01Å; A130-T133 PolarHBondContact O-OG1 3Å; A131-T133 PolarHBondContact O-N 2.97Å; T133-Q137 WeakPolarHBondContact O-CB 3.48Å; T133-Q137 PolarHBondContact O-N 3.25Å
134	W	98.2	Very high	96	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-67	-47.1	177.8	-48.3	-22.7	0	0	0	111	A130 A131 Q137 M138 A148 D152 L307 D310 M311 L365	A130-W134 HydrophobicContact CB-CH2 4.34Å; A130-W134 HydrophobicContact CB-CZ2 3.71Å; A130-W134 PolarHBondContact O-N 3.22Å; A130-W134 PolarHBondContact O-NE1 3.35Å; A131-W134 HydrophobicContact CB-CE3 4.01Å; A131-W134 HydrophobicContact CB-CZ3 4.12Å; A131-W134 WeakPolarHBondContact O-CB 3.22Å; A131-W134 PolarHBondContact O-N 3.29Å; W134-Q137 WeakPolarHBondContact O-CB 3.43Å; W134-Q137 PolarHBondContact O-N 3.42Å; W134-M138 WeakPolarHBondContact O-CG 3.47Å; W134-M138 PolarHBondContact O-N 2.91Å; W134-A148 HydrophobicContact CG-CB 4.46Å; W134-D152 HydrophobicContact CZ2-CB 3.79Å; W134-D152 PolarHBondContact NE1-OD2 3.22Å; W134-L307 HydrophobicContact CD2-CB 4.45Å; W134-L307 HydrophobicContact CD2-CD1 4.4Å; W134-L307 HydrophobicContact CD2-CG 3.84Å; W134-L307 HydrophobicContact CE3-CB 4.22Å; W134-L307 HydrophobicContact CE3-CG 4.11Å; W134-L307 HydrophobicContact CG-CG 4.32Å; W134-L307 HydrophobicContact CH2-CB 4.22Å; W134-L307 HydrophobicContact CH2-CG 4.42Å; W134-L307 HydrophobicContact CZ2-CB 4.41Å; W134-L307 HydrophobicContact CZ2-CD1 3.98Å; W134-L307 HydrophobicContact CZ2-CG 4.15Å; W134-L307 HydrophobicContact CZ3-CB 4.11Å; W134-L307 HydrophobicContact CZ3-CG 4.39Å; W134-D310 HydrophobicContact CE3-CB 4.19Å; W134-M311 HydrophobicContact CB-CG 3.95Å; W134-L365 HydrophobicContact CZ3-CD2 4Å
135	E	98.4	Very high	96	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.1	-48.4	-178.6	-62.9	-176.7	-168	0	0	111.8	R63 R74 A131 Q137 M138 Y139 D310 S314 R358	R63-E135 IonicContact CZ-OE1 2.61Å; R63-E135 VanDerWaalsContact CZ-OE1 3.24Å; R63-E135 IonicContact CZ-OE2 3.6Å; R63-E135 IonicContact NH1-OE1 2.8Å; R63-E135 PolarHBondContact NH1-OE1 2.86Å; R63-E135 IonicContact NH1-OE2 2.78Å; R63-E135 PolarHBondContact NH1-OE2 3.44Å; R63-E135 IonicContact NH2-OE1 3.14Å; R63-E135 PolarHBondContact NH2-OE1 2.92Å; R74-E135 IonicContact CZ-OE2 2.78Å; R74-E135 IonicContact NH1-OE2 3.97Å; R74-E135 PolarHBondContact NH1-OE2 3.37Å; R74-E135 IonicContact NH2-OE1 2.91Å; R74-E135 IonicContact NH2-OE2 3.81Å; R74-E135 PolarHBondContact NH2-OE2 2.84Å; A131-E135 VanDerWaalsContact O-CG 3.28Å; A131-E135 WeakPolarHBondContact O-CG 3.43Å; A131-E135 PolarHBondContact O-N 2.87Å; E135-Q137 VanDerWaalsContact C-N 3.27Å; E135-Q137 PolarHBondContact O-N 3.17Å; E135-M138 CarbonylContact O-C 3.57Å; E135-M138 WeakPolarHBondContact O-CA 3.33Å; E135-M138 PolarHBondContact O-N 2.88Å; E135-Y139 HydrophobicContact CB-CD2 4.48Å; E135-Y139 HydrophobicContact CB-CE2 3.91Å; E135-Y139 WeakPolarHBondContact O-CD2 3.47Å; E135-Y139 VanDerWaalsContact O-CG 3.31Å; E135-Y139 PolarHBondContact O-N 3.24Å; E135-Y139 PolarHBondContact OE2-OH 3Å; E135-D310 WeakPolarHBondContact CG-OD2 3.33Å; E135-S314 WeakPolarHBondContact CG-OG 3.49Å; E135-R358 IonicContact OE1-NH1 2.84Å
136	E	98.4	Very high	96.1	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-66.9	-30.1	-178.9	-67.9	-57.5	141.9	0	0	112.2	R74 V77 R78 F81 I132 M138 Y139 S140	R74-E136 VanDerWaalsContact CD-OE1 3.25Å; R74-E136 WeakPolarHBondContact CD-OE1 3.34Å; R74-E136 HydrophobicContact CG-CG 3.88Å; R74-E136 WeakPolarHBondContact CG-OE1 3.35Å; R74-E136 IonicContact CZ-OE1 3.93Å; R74-E136 IonicContact NE-OE1 2.78Å; R74-E136 IonicContact NH1-OE1 3.71Å; R74-E136 PolarHBondContact NH1-OE1 2.85Å; V77-E136 HydrophobicContact CB-CB 4.36Å; V77-E136 HydrophobicContact CB-CG 4.24Å; V77-E136 HydrophobicContact CG1-CB 3.55Å; V77-E136 HydrophobicContact CG1-CG 3.92Å; R78-E136 HydrophobicContact CB-CG 4.48Å; R78-E136 VanDerWaalsContact CB-OE2 3.3Å; R78-E136 WeakPolarHBondContact CB-OE2 3.48Å; R78-E136 WeakPolarHBondContact CG-OE2 3.34Å; R78-E136 IonicContact CZ-OE1 2.7Å; R78-E136 IonicContact CZ-OE2 2.66Å; R78-E136 IonicContact NE-OE1 3.56Å; R78-E136 IonicContact NE-OE2 3.94Å; R78-E136 PolarHBondContact NE-OE2 3.15Å; R78-E136 IonicContact NH2-OE1 3.86Å; R78-E136 PolarHBondContact NH2-OE1 3.46Å; R78-E136 IonicContact NH2-OE2 2.82Å; R78-E136 PolarHBondContact NH2-OE2 2.96Å; F81-E136 HydrophobicContact CD2-CB 4.1Å; F81-E136 HydrophobicContact CE2-CB 4.35Å; I132-E136 HydrophobicContact CG2-CG 4.23Å; I132-E136 WeakPolarHBondContact O-CB 3.37Å; I132-E136 VanDerWaalsContact O-CG 3.26Å; I132-E136 WeakPolarHBondContact O-CG 3.43Å; I132-E136 PolarHBondContact O-N 2.8Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.29Å; E136-Y139 PolarHBondContact O-N 3.47Å; E136-Y139 WeakPolarHBondContact OE1-CD2 3.38Å; E136-S140 WeakPolarHBondContact O-CB 3.25Å; E136-S140 PolarHBondContact O-N 3.26Å
137	Q	97.3	Very high	96.1	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.028	5%	0.048	C	C	.	.	H	α-helix	trans	-59.4	-45.4	168.7	-172.3	176.6	-9.3	0	0	110.8	F81 T133 W134 E135 S140 N141 C142 P145	F81-Q137 HydrophobicContact CD1-CG 4.43Å; F81-Q137 HydrophobicContact CE1-CB 3.73Å; F81-Q137 HydrophobicContact CE1-CG 3.59Å; F81-Q137 HydrophobicContact CE2-CB 4.01Å; F81-Q137 HydrophobicContact CZ-CB 3.44Å; F81-Q137 VanDerWaalsContact CZ-CB 3.44Å; F81-Q137 HydrophobicContact CZ-CG 3.79Å; T133-Q137 WeakPolarHBondContact O-CB 3.48Å; T133-Q137 PolarHBondContact O-N 3.25Å; W134-Q137 WeakPolarHBondContact O-CB 3.43Å; W134-Q137 PolarHBondContact O-N 3.42Å; E135-Q137 VanDerWaalsContact C-N 3.27Å; E135-Q137 PolarHBondContact O-N 3.17Å; Q137-S140 PolarHBondContact O-N 3.2Å; Q137-S140 PolarHBondContact O-OG 3.29Å; Q137-N141 PolarHBondContact O-N 3.15Å; Q137-C142 WeakPolarHBondContact CG-O 3.43Å; Q137-C142 PolarHBondContact NE2-O 2.98Å; Q137-C142 VanDerWaalsContact NE2-O 3.12Å; Q137-P145 PolarHBondContact NE2-O 3.43Å
138	M	96.4	Very high	96.1	Very high	3 Å²	3	8 Å²	8	2%	0.015	4%	0.044	C	C	.	.	H	α-helix	trans	-73	-34.1	-179.6	-62.3	-62.6	92.9	0	0	112.8	W134 E135 E136 S140 N141 T143 M311 S315	W134-M138 WeakPolarHBondContact O-CG 3.47Å; W134-M138 PolarHBondContact O-N 2.91Å; E135-M138 CarbonylContact O-C 3.57Å; E135-M138 WeakPolarHBondContact O-CA 3.33Å; E135-M138 PolarHBondContact O-N 2.88Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.29Å; M138-S140 VanDerWaalsContact C-N 3.26Å; M138-S140 PolarHBondContact O-N 3.47Å; M138-N141 WeakPolarHBondContact O-CA 3.26Å; M138-N141 PolarHBondContact O-N 3.06Å; M138-T143 HydrophobicContact CE-CG2 4.18Å; M138-M311 HydrophobicContact CE-CE 3.37Å; M138-M311 HydrophobicContact CG-CB 3.81Å; M138-M311 HydrophobicContact CG-CE 4.24Å; M138-M311 HydrophobicContact CG-CG 4.12Å; M138-M311 WeakPolarHBondContact CG-O 3.08Å; M138-M311 HydrophobicContact SD-CB 4.04Å; M138-M311 HydrophobicContact SD-CE 3.68Å; M138-M311 HydrophobicContact SD-CG 4.5Å; M138-S315 PolarHBondContact SD-OG 2.88Å; M138-S315 VanDerWaalsContact SD-OG 3.33Å
139	Y	96.6	Very high	96.1	Very high	18 Å²	18	8.1 Å²	8.1	7%	0.071	5%	0.046	C	C	.	.	H	α-helix	trans	-69.2	-23	172.8	-59.8	-28.6	0	0	0	113.2	M58 E135 E136 N141 S314 E317 F318 R358	M58-Y139 HydrophobicContact CB-CD2 4.39Å; M58-Y139 HydrophobicContact CB-CE2 4.43Å; M58-Y139 HydrophobicContact CB-CG 4.47Å; M58-Y139 HydrophobicContact CG-CD1 3.7Å; M58-Y139 HydrophobicContact CG-CD2 4.41Å; M58-Y139 HydrophobicContact CG-CE1 3.76Å; M58-Y139 HydrophobicContact CG-CE2 4.48Å; M58-Y139 HydrophobicContact CG-CG 4.06Å; M58-Y139 HydrophobicContact SD-CD1 3.51Å; M58-Y139 VanDerWaalsContact SD-CD1 3.51Å; M58-Y139 HydrophobicContact SD-CE1 4.19Å; M58-Y139 HydrophobicContact SD-CG 3.75Å; E135-Y139 HydrophobicContact CB-CD2 4.48Å; E135-Y139 HydrophobicContact CB-CE2 3.91Å; E135-Y139 WeakPolarHBondContact O-CD2 3.47Å; E135-Y139 VanDerWaalsContact O-CG 3.31Å; E135-Y139 PolarHBondContact O-N 3.24Å; E135-Y139 PolarHBondContact OE2-OH 3Å; E136-Y139 PolarHBondContact O-N 3.47Å; E136-Y139 WeakPolarHBondContact OE1-CD2 3.38Å; Y139-N141 VanDerWaalsContact C-N 3.27Å; Y139-S314 WeakPolarHBondContact CE1-O 3.23Å; Y139-E317 HydrophobicContact CE1-CB 4.07Å; Y139-E317 WeakPolarHBondContact CE1-OE2 3.07Å; Y139-E317 PolarHBondContact OH-OE2 3.38Å; Y139-F318 HydrophobicContact CD1-CB 4.44Å; Y139-F318 WeakPolarHBondContact O-CD2 3.1Å; Y139-F318 WeakPolarHBondContact O-CE2 3.22Å; Y139-R358 PolarHBondContact OH-NH2 2.85Å
140	S	95	Very high	96.1	Very high	13 Å²	13	7.4 Å²	7.4	9%	0.091	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.6	168.5	78	0	0	0	0	113.3	E136 Q137 M138 C142	E136-S140 WeakPolarHBondContact O-CB 3.25Å; E136-S140 PolarHBondContact O-N 3.26Å; Q137-S140 PolarHBondContact O-N 3.2Å; Q137-S140 PolarHBondContact O-OG 3.29Å; M138-S140 VanDerWaalsContact C-N 3.26Å; M138-S140 PolarHBondContact O-N 3.47Å; S140-C142 PolarHBondContact O-N 2.83Å; S140-C142 VanDerWaalsContact O-N 3.14Å; S140-C142 PolarHBondContact O-SG 3.4Å; S140-C142 WeakPolarHBondContact OG-CB 3.36Å; S140-C142 PolarHBondContact OG-N 3.27Å
141	N	91.9	Very high	96.1	Very high	36 Å²	36	7.7 Å²	7.7	19%	0.193	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	29.9	-174.6	-163.6	25.8	0	0	0	114.3	Q137 M138 Y139 F318 P410	Q137-N141 PolarHBondContact O-N 3.15Å; M138-N141 WeakPolarHBondContact O-CA 3.26Å; M138-N141 PolarHBondContact O-N 3.06Å; Y139-N141 VanDerWaalsContact C-N 3.27Å; N141-F318 HydrophobicContact CB-CD1 3.91Å; N141-F318 HydrophobicContact CB-CD2 4.39Å; N141-F318 HydrophobicContact CB-CE1 3.45Å; N141-F318 VanDerWaalsContact CB-CE1 3.45Å; N141-F318 HydrophobicContact CB-CE2 3.94Å; N141-F318 HydrophobicContact CB-CG 4.38Å; N141-F318 HydrophobicContact CB-CZ 3.44Å; N141-F318 VanDerWaalsContact CB-CZ 3.44Å; N141-F318 VanDerWaalsContact CG-CE1 3.42Å; N141-F318 WeakPolarHBondContact ND2-CE1 3.36Å; N141-P410 WeakPolarHBondContact ND2-CB 3.5Å; N141-P410 PolarHBondContact ND2-O 2.77Å
142	C	91	Very high	96.1	Very high	7 Å²	7	7.9 Å²	7.9	5%	0.047	4%	0.044	C	C	.	.			trans	-107.2	92.8	-179.5	-70	0	0	0	0	110	V85 H89 Q137 S140 G144	V85-C142 HydrophobicContact CG1-CB 3.45Å; V85-C142 VanDerWaalsContact CG1-CB 3.45Å; H89-C142 HydrophobicContact CB-CB 4.41Å; Q137-C142 WeakPolarHBondContact CG-O 3.43Å; Q137-C142 PolarHBondContact NE2-O 2.98Å; Q137-C142 VanDerWaalsContact NE2-O 3.12Å; S140-C142 PolarHBondContact O-N 2.83Å; S140-C142 VanDerWaalsContact O-N 3.14Å; S140-C142 PolarHBondContact O-SG 3.4Å; S140-C142 WeakPolarHBondContact OG-CB 3.36Å; S140-C142 PolarHBondContact OG-N 3.27Å; C142-G144 PolarHBondContact O-N 2.66Å
143	T	83.6	Confident	96.1	Very high	9 Å²	9	8.5 Å²	8.5	6%	0.055	5%	0.047	C	C	.	.			trans	-83.8	12.8	-174.5	53.5	0	0	0	0	114.9	H89 M138 L266	H89-T143 PolarHBondContact NE2-N 3.15Å; M138-T143 HydrophobicContact CE-CG2 4.18Å; T143-L266 HydrophobicContact CG2-CD2 3.54Å
144	G	91.4	Very high	96.1	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	4%	0.044	C	C	.	.			trans	-78.1	-55.3	-176.6	0	0	0	0	0	114.5	H89 V98 C142 G146 A268 Q269	H89-G144 PolarHBondContact NE2-N 3.05Å; V98-G144 VanDerWaalsContact CG1-C 3.46Å; C142-G144 PolarHBondContact O-N 2.66Å; G144-G146 PolarHBondContact O-N 2.98Å; G144-A268 VanDerWaalsContact CA-C 3.48Å; G144-Q269 WeakPolarHBondContact O-CA 3.29Å; G144-Q269 WeakPolarHBondContact O-CB 3.46Å
145	P	96.6	Very high	96.1	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	4%	0.043	C	C	.	.			trans	-57.3	128.6	-179	-26.7	36.1	0	0	0	112.1	F81 V85 V98 L102 Q137 F147	F81-P145 HydrophobicContact CE1-CG 4.44Å; V85-P145 HydrophobicContact CG1-CG 3.89Å; V85-P145 HydrophobicContact CG2-CG 4.38Å; V98-P145 HydrophobicContact CG1-CG 4.27Å; L102-P145 HydrophobicContact CD2-CB 4.49Å; L102-P145 HydrophobicContact CD2-CG 3.85Å; Q137-P145 PolarHBondContact NE2-O 3.43Å; P145-F147 VanDerWaalsContact C-N 3.28Å; P145-F147 HydrophobicContact CB-CD1 3.92Å; P145-F147 HydrophobicContact CB-CD2 3.89Å; P145-F147 HydrophobicContact CB-CE1 3.88Å; P145-F147 HydrophobicContact CB-CE2 3.83Å; P145-F147 HydrophobicContact CB-CG 3.94Å; P145-F147 HydrophobicContact CB-CZ 3.84Å; P145-F147 HydrophobicContact CG-CE2 4.47Å; P145-F147 HydrophobicContact CG-CZ 4.48Å; P145-F147 PolarHBondContact O-N 3.25Å
146	G	97.1	Very high	96.1	Very high	2 Å²	2	8.5 Å²	8.5	2%	0.021	5%	0.048	C	C	.	.			trans	-92.2	28.9	176.8	0	0	0	0	0	113.5	W103 G144 A148 L149 H150 N219	W103-G146 WeakPolarHBondContact CH2-O 3.48Å; G144-G146 PolarHBondContact O-N 2.98Å; G146-A148 PolarHBondContact O-N 3.46Å; G146-L149 PolarHBondContact O-N 3.09Å; G146-H150 WeakPolarHBondContact O-CB 3.45Å; G146-H150 PolarHBondContact O-N 3.15Å; G146-N219 PolarHBondContact O-ND2 3.26Å
147	F	98.3	Very high	96.1	Very high	9 Å²	9	8.4 Å²	8.4	4%	0.039	5%	0.047	C	C	.	.	H	α-helix	trans	-63.5	-40.2	-168.9	-62.2	-15.8	0	0	0	113.2	F80 L102 W103 A106 L112 P145 H150 S151	F80-F147 AromaticContact CE1-CE2 3.95Å; F80-F147 HydrophobicContact CE1-CE2 3.95Å; F80-F147 HydrophobicContact CZ-CE2 4.45Å; L102-F147 HydrophobicContact CD2-CZ 4.18Å; L102-F147 HydrophobicContact CG-CZ 4.03Å; W103-F147 HydrophobicContact CD2-CD1 4.12Å; W103-F147 AromaticContact CD2-CE1 3.75Å; W103-F147 HydrophobicContact CD2-CE1 3.75Å; W103-F147 AromaticContact CE3-CD1 3.67Å; W103-F147 HydrophobicContact CE3-CD1 3.67Å; W103-F147 AromaticContact CE3-CE1 3.68Å; W103-F147 HydrophobicContact CE3-CE1 3.68Å; W103-F147 HydrophobicContact CG-CE1 4.3Å; W103-F147 AromaticContact CH2-CD1 3.76Å; W103-F147 HydrophobicContact CH2-CD1 3.76Å; W103-F147 HydrophobicContact CH2-CE1 4.32Å; W103-F147 HydrophobicContact CZ2-CD1 4.18Å; W103-F147 HydrophobicContact CZ2-CE1 4.38Å; W103-F147 AromaticContact CZ3-CD1 3.48Å; W103-F147 HydrophobicContact CZ3-CD1 3.48Å; W103-F147 VanDerWaalsContact CZ3-CD1 3.48Å; W103-F147 AromaticContact CZ3-CE1 3.98Å; W103-F147 HydrophobicContact CZ3-CE1 3.98Å; A106-F147 HydrophobicContact CB-CD2 4.44Å; A106-F147 HydrophobicContact CB-CE1 4.08Å; A106-F147 HydrophobicContact CB-CE2 3.63Å; A106-F147 HydrophobicContact CB-CZ 3.41Å; A106-F147 VanDerWaalsContact CB-CZ 3.41Å; L112-F147 HydrophobicContact CD2-CB 3.9Å; L112-F147 HydrophobicContact CD2-CD1 3.52Å; L112-F147 HydrophobicContact CD2-CD2 4.24Å; L112-F147 HydrophobicContact CD2-CE1 4.01Å; L112-F147 HydrophobicContact CD2-CG 3.64Å; P145-F147 VanDerWaalsContact C-N 3.28Å; P145-F147 HydrophobicContact CB-CD1 3.92Å; P145-F147 HydrophobicContact CB-CD2 3.89Å; P145-F147 HydrophobicContact CB-CE1 3.88Å; P145-F147 HydrophobicContact CB-CE2 3.83Å; P145-F147 HydrophobicContact CB-CG 3.94Å; P145-F147 HydrophobicContact CB-CZ 3.84Å; P145-F147 HydrophobicContact CG-CE2 4.47Å; P145-F147 HydrophobicContact CG-CZ 4.48Å; P145-F147 PolarHBondContact O-N 3.25Å; F147-H150 WeakPolarHBondContact O-CB 3.37Å; F147-H150 PolarHBondContact O-N 3.45Å; F147-S151 VanDerWaalsContact O-CB 3.25Å; F147-S151 WeakPolarHBondContact O-CB 3.4Å; F147-S151 PolarHBondContact O-N 3.35Å; F147-S151 PolarHBondContact O-OG 2.69Å
148	A	97.6	Very high	96.1	Very high	5 Å²	5	8.1 Å²	8.1	4%	0.041	5%	0.046	C	C	.	.	H	α-helix	trans	-67.6	-41.2	-179.6	0	0	0	0	0	111.7	W134 G146 H150 D152 I153 L307 M311	W134-A148 HydrophobicContact CG-CB 4.46Å; G146-A148 PolarHBondContact O-N 3.46Å; A148-H150 VanDerWaalsContact C-N 3.32Å; A148-H150 PolarHBondContact O-N 2.82Å; A148-D152 WeakPolarHBondContact O-CA 3.25Å; A148-D152 WeakPolarHBondContact O-CB 3.42Å; A148-D152 PolarHBondContact O-N 3.13Å; A148-I153 PolarHBondContact O-N 3.5Å; A148-L307 HydrophobicContact CB-CD1 3.94Å; A148-L307 HydrophobicContact CB-CD2 4.02Å; A148-L307 HydrophobicContact CB-CG 4.27Å; A148-M311 HydrophobicContact CB-SD 4.43Å
149	L	98.2	Very high	96.2	Very high	29 Å²	29	9.5 Å²	9.5	15%	0.152	6%	0.055	C	C	.	.	I	π-helix	trans	-58.8	-47.2	171.3	-179.5	85.3	0	0	0	110.7	G146 I153 V154 I183 S218 N219	G146-L149 PolarHBondContact O-N 3.09Å; L149-I153 HydrophobicContact CD1-CB 4.37Å; L149-I153 HydrophobicContact CD1-CD1 3.91Å; L149-I153 HydrophobicContact CD1-CG2 4.34Å; L149-I153 WeakPolarHBondContact O-CB 3.3Å; L149-I153 PolarHBondContact O-N 3.05Å; L149-V154 HydrophobicContact CG-CG2 4.38Å; L149-V154 WeakPolarHBondContact O-CG2 3.24Å; L149-V154 PolarHBondContact O-N 3.27Å; L149-I183 HydrophobicContact CD1-CG2 4.3Å; L149-S218 VanDerWaalsContact CD2-O 3.31Å; L149-S218 WeakPolarHBondContact CD2-O 3.49Å; L149-N219 HydrophobicContact CD2-CB 4Å
150	H	98.7	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-62	-52.8	-178.6	176.5	86.4	0	0	0	112.5	W103 G146 F147 A148 M155 M174 H179 G181	W103-H150 HydrophobicContact CH2-CB 3.78Å; W103-H150 HydrophobicContact CZ3-CB 3.62Å; W103-H150 AromaticContact CZ3-CG 3.58Å; W103-H150 AromaticContact CZ3-ND1 3.9Å; G146-H150 WeakPolarHBondContact O-CB 3.45Å; G146-H150 PolarHBondContact O-N 3.15Å; F147-H150 WeakPolarHBondContact O-CB 3.37Å; F147-H150 PolarHBondContact O-N 3.45Å; A148-H150 VanDerWaalsContact C-N 3.32Å; A148-H150 PolarHBondContact O-N 2.82Å; H150-M155 WeakPolarHBondContact NE2-CE 3.47Å; H150-M155 WeakPolarHBondContact O-CG 3.35Å; H150-M155 PolarHBondContact O-N 3.34Å; H150-M155 VanDerWaalsContact O-N 3.12Å; H150-M174 VanDerWaalsContact CE1-CE 3.46Å; H150-M174 WeakPolarHBondContact CE1-CE 3.49Å; H150-M174 PolarHBondContact NE2-O 3.34Å; H150-M174 VanDerWaalsContact NE2-O 3.15Å; H150-H179 PolarHBondContact CE1-O 2.84Å; H150-G181 PolarHBondContact CE1-N 2.97Å; H150-G181 PolarHBondContact ND1-N 3.35Å
151	S	98.5	Very high	96.3	Very high	5 Å²	5	14.2 Å²	14.2	4%	0.035	8%	0.077	C	C	.	.	I	π-helix	trans	-84.3	-38.4	-168.2	-55	0	0	0	0	113.2	G113 F147 P156	G113-S151 VanDerWaalsContact N-CB 3.31Å; G113-S151 PolarHBondContact N-OG 2.85Å; F147-S151 VanDerWaalsContact O-CB 3.25Å; F147-S151 WeakPolarHBondContact O-CB 3.4Å; F147-S151 PolarHBondContact O-N 3.35Å; F147-S151 PolarHBondContact O-OG 2.69Å; S151-P156 WeakPolarHBondContact O-CD 3.42Å
152	D	98	Very high	96.6	Very high	5 Å²	5	13.3 Å²	13.3	3%	0.027	8%	0.076	C	C	.	.	I	π-helix	trans	-117.5	-2.5	-164.8	-50.7	-69.6	0	0	0	112.6	M115 W134 A148 Q303 L307	M115-D152 WeakPolarHBondContact CE-OD1 3.39Å; W134-D152 HydrophobicContact CZ2-CB 3.79Å; W134-D152 PolarHBondContact NE1-OD2 3.22Å; A148-D152 WeakPolarHBondContact O-CA 3.25Å; A148-D152 WeakPolarHBondContact O-CB 3.42Å; A148-D152 PolarHBondContact O-N 3.13Å; D152-Q303 PolarHBondContact O-NE2 2.94Å; D152-L307 HydrophobicContact CB-CD1 3.64Å
153	I	98.3	Very high	97	Very high	13 Å²	13	15.2 Å²	15.2	7%	0.067	9%	0.09	C	C	.	.	I	π-helix	trans	-117.7	-54.1	170.6	-56.7	175.7	0	0	0	109.8	A148 L149 Y157 I183 E304 L307	A148-I153 PolarHBondContact O-N 3.5Å; L149-I153 HydrophobicContact CD1-CB 4.37Å; L149-I153 HydrophobicContact CD1-CD1 3.91Å; L149-I153 HydrophobicContact CD1-CG2 4.34Å; L149-I153 WeakPolarHBondContact O-CB 3.3Å; L149-I153 PolarHBondContact O-N 3.05Å; I153-Y157 HydrophobicContact CG2-CE2 4.37Å; I153-Y157 WeakPolarHBondContact O-CD2 3.41Å; I153-Y157 VanDerWaalsContact O-CE2 3.3Å; I153-Y157 WeakPolarHBondContact O-CE2 3.39Å; I153-I183 HydrophobicContact CG2-CG2 4.15Å; I153-E304 HydrophobicContact CD1-CB 4.08Å; I153-E304 HydrophobicContact CD1-CG 3.64Å; I153-E304 HydrophobicContact CG1-CB 4.11Å; I153-E304 HydrophobicContact CG1-CG 4.23Å; I153-L307 HydrophobicContact CD1-CD1 4.33Å; I153-L307 HydrophobicContact CG1-CD1 4.1Å
154	V	98.7	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-77.8	-52	-173.2	179.5	0	0	0	0	113	L149 P156 Y157 M174 I183 V227	L149-V154 HydrophobicContact CG-CG2 4.38Å; L149-V154 WeakPolarHBondContact O-CG2 3.24Å; L149-V154 PolarHBondContact O-N 3.27Å; V154-P156 VanDerWaalsContact C-CD 3.5Å; V154-Y157 PolarHBondContact O-N 2.78Å; V154-M174 HydrophobicContact CG1-CE 4.07Å; V154-I183 HydrophobicContact CG2-CB 4.12Å; V154-I183 HydrophobicContact CG2-CG2 4.2Å; V154-V227 HydrophobicContact CG1-CG2 4.05Å
155	M	98.6	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.5	-39.8	-179	-71.8	176.6	166.5	0	0	113.9	G113 I116 H150 Y157 I158 V159 I171 M174 T175	G113-M155 WeakPolarHBondContact CA-SD 3.12Å; I116-M155 HydrophobicContact CD1-CB 4.11Å; I116-M155 HydrophobicContact CD1-SD 4.17Å; I116-M155 HydrophobicContact CG1-SD 3.6Å; H150-M155 WeakPolarHBondContact NE2-CE 3.47Å; H150-M155 WeakPolarHBondContact O-CG 3.35Å; H150-M155 PolarHBondContact O-N 3.34Å; H150-M155 VanDerWaalsContact O-N 3.12Å; M155-Y157 VanDerWaalsContact C-N 3.27Å; M155-Y157 PolarHBondContact O-N 3.14Å; M155-I158 PolarHBondContact O-N 3.18Å; M155-V159 PolarHBondContact O-N 3.11Å; M155-I171 HydrophobicContact CB-CD1 4.12Å; M155-I171 HydrophobicContact CG-CD1 4.05Å; M155-M174 VanDerWaalsContact CE-C 3.41Å; M155-M174 HydrophobicContact CE-CB 3.32Å; M155-M174 HydrophobicContact CE-CE 4.45Å; M155-M174 HydrophobicContact CG-CE 3.61Å; M155-M174 HydrophobicContact CG-SD 4.4Å; M155-T175 HydrophobicContact CE-CG2 3.58Å; M155-T175 VanDerWaalsContact CE-N 3.32Å; M155-T175 HydrophobicContact SD-CG2 4.36Å
156	P	97.4	Very high	98.1	Very high	14 Å²	14	28.1 Å²	28.1	9%	0.091	15%	0.147	C	C	.	.	H	α-helix	trans	-54.5	-38.6	176.2	-30.2	36.9	0	0	0	113.9	S151 V154 I158 V159 N160 E300	S151-P156 WeakPolarHBondContact O-CD 3.42Å; V154-P156 VanDerWaalsContact C-CD 3.5Å; P156-I158 VanDerWaalsContact C-N 3.29Å; P156-I158 PolarHBondContact O-N 2.76Å; P156-V159 PolarHBondContact O-N 2.64Å; P156-N160 WeakPolarHBondContact O-CB 3.39Å; P156-N160 VanDerWaalsContact O-CG 3.24Å; P156-N160 PolarHBondContact O-N 2.89Å; P156-N160 PolarHBondContact O-ND2 2.87Å; P156-E300 WeakPolarHBondContact CB-OE2 3.13Å
157	Y	98.5	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-40.1	175	-72.3	-77.6	0	0	0	112.3	I153 V154 M155 Y161 I183 L245 L297 E300	I153-Y157 HydrophobicContact CG2-CE2 4.37Å; I153-Y157 WeakPolarHBondContact O-CD2 3.41Å; I153-Y157 VanDerWaalsContact O-CE2 3.3Å; I153-Y157 WeakPolarHBondContact O-CE2 3.39Å; V154-Y157 PolarHBondContact O-N 2.78Å; M155-Y157 VanDerWaalsContact C-N 3.27Å; M155-Y157 PolarHBondContact O-N 3.14Å; Y157-Y161 HydrophobicContact CD1-CD2 4.27Å; Y157-Y161 HydrophobicContact CD1-CE2 4.21Å; Y157-Y161 WeakPolarHBondContact O-CB 3.31Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.49Å; Y157-Y161 PolarHBondContact O-N 3.29Å; Y157-I183 HydrophobicContact CD2-CD1 3.64Å; Y157-I183 HydrophobicContact CE1-CD1 4.4Å; Y157-I183 HydrophobicContact CE2-CD1 3.21Å; Y157-I183 HydrophobicContact CG-CD1 4.4Å; Y157-L245 HydrophobicContact CD1-CD1 3.88Å; Y157-L245 HydrophobicContact CE1-CD1 4.25Å; Y157-L297 HydrophobicContact CE1-CD2 3.88Å; Y157-L297 WeakPolarHBondContact OH-CD2 3.21Å; Y157-E300 HydrophobicContact CD1-CG 3.8Å; Y157-E300 HydrophobicContact CE1-CB 3.79Å; Y157-E300 HydrophobicContact CE1-CG 3.47Å; Y157-E300 VanDerWaalsContact CE1-CG 3.47Å; Y157-E300 HydrophobicContact CE2-CB 4.11Å; Y157-E300 HydrophobicContact CE2-CG 4.27Å; Y157-E300 HydrophobicContact CG-CG 4.32Å; Y157-E300 WeakPolarHBondContact OH-CB 3.14Å
158	I	98.5	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-74.4	-41.7	-179.2	-60.4	173.4	0	0	0	110.5	M155 P156 G162 I167 F170 I171 M174 L247	M155-I158 PolarHBondContact O-N 3.18Å; P156-I158 VanDerWaalsContact C-N 3.29Å; P156-I158 PolarHBondContact O-N 2.76Å; I158-G162 WeakPolarHBondContact O-CA 3.39Å; I158-G162 PolarHBondContact O-N 3.02Å; I158-I167 HydrophobicContact CG2-CG1 4.46Å; I158-I167 WeakPolarHBondContact O-CG1 3.32Å; I158-F170 HydrophobicContact CD1-CB 4.36Å; I158-I171 HydrophobicContact CB-CD1 3.9Å; I158-I171 HydrophobicContact CG2-CD1 3.75Å; I158-I171 HydrophobicContact CG2-CG1 3.97Å; I158-M174 HydrophobicContact CD1-CE 4.42Å; I158-M174 HydrophobicContact CD1-SD 3.84Å; I158-L247 HydrophobicContact CD1-CD2 4.12Å; I158-L247 HydrophobicContact CG1-CD2 3.99Å
159	V	97.1	Very high	98.1	Very high	33 Å²	33	40.1 Å²	40.1	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-71.9	-40.5	-178.6	173	0	0	0	0	112.2	I116 M155 P156 I171	I116-V159 HydrophobicContact CD1-CG2 3.88Å; M155-V159 PolarHBondContact O-N 3.11Å; P156-V159 PolarHBondContact O-N 2.64Å; V159-I171 HydrophobicContact CG2-CD1 3.69Å; V159-I171 HydrophobicContact CG2-CG1 3.84Å
160	N	96.8	Very high	98.1	Very high	90 Å²	90	39 Å²	39	48%	0.481	19%	0.19	S	C	.	.	H	α-helix	trans	-80.8	-30.2	-175.4	-65.3	-20	0	0	0	113	P156 E300	P156-N160 WeakPolarHBondContact O-CB 3.39Å; P156-N160 VanDerWaalsContact O-CG 3.24Å; P156-N160 PolarHBondContact O-N 2.89Å; P156-N160 PolarHBondContact O-ND2 2.87Å; N160-E300 PolarHBondContact ND2-OE1 3.22Å
161	Y	98.4	Very high	98.1	Very high	40 Å²	40	39 Å²	39	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-125.7	-6.8	-171.9	-46.3	-66.4	0	0	0	114	Y157 G288 Y296 N299 E300	Y157-Y161 HydrophobicContact CD1-CD2 4.27Å; Y157-Y161 HydrophobicContact CD1-CE2 4.21Å; Y157-Y161 WeakPolarHBondContact O-CB 3.31Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.49Å; Y157-Y161 PolarHBondContact O-N 3.29Å; Y161-G288 WeakPolarHBondContact O-CA 3.5Å; Y161-G288 PolarHBondContact O-N 3.32Å; Y161-Y296 AromaticContact CD1-CD1 3.36Å; Y161-Y296 HydrophobicContact CD1-CD1 3.36Å; Y161-Y296 HydrophobicContact CD1-CD2 4.39Å; Y161-Y296 AromaticContact CD1-CE1 3.44Å; Y161-Y296 HydrophobicContact CD1-CE1 3.44Å; Y161-Y296 VanDerWaalsContact CD1-CE1 3.44Å; Y161-Y296 HydrophobicContact CD1-CE2 4.46Å; Y161-Y296 AromaticContact CD1-CG 3.87Å; Y161-Y296 HydrophobicContact CD1-CG 3.87Å; Y161-Y296 HydrophobicContact CD2-CD1 4.23Å; Y161-Y296 HydrophobicContact CD2-CD2 4.38Å; Y161-Y296 AromaticContact CD2-CG 3.95Å; Y161-Y296 HydrophobicContact CD2-CG 3.95Å; Y161-Y296 AromaticContact CE1-CD1 3.25Å; Y161-Y296 HydrophobicContact CE1-CD1 3.25Å; Y161-Y296 AromaticContact CE1-CE1 3.68Å; Y161-Y296 HydrophobicContact CE1-CE1 3.68Å; Y161-Y296 AromaticContact CE1-CG 3.95Å; Y161-Y296 HydrophobicContact CE1-CG 3.95Å; Y161-Y296 HydrophobicContact CE2-CD1 4.18Å; Y161-Y296 HydrophobicContact CE2-CG 4.05Å; Y161-Y296 AromaticContact CG-CD1 3.87Å; Y161-Y296 HydrophobicContact CG-CD1 3.87Å; Y161-Y296 HydrophobicContact CG-CD2 4.14Å; Y161-Y296 HydrophobicContact CG-CE1 4.13Å; Y161-Y296 HydrophobicContact CG-CE2 4.39Å; Y161-Y296 AromaticContact CG-CG 3.88Å; Y161-Y296 HydrophobicContact CG-CG 3.88Å; Y161-Y296 AromaticContact CZ-CD1 3.71Å; Y161-N299 WeakPolarHBondContact OH-CB 3.47Å; Y161-E300 HydrophobicContact CE2-CG 3.93Å; Y161-E300 WeakPolarHBondContact CE2-OE1 3.32Å; Y161-E300 VanDerWaalsContact CZ-OE1 3.28Å; Y161-E300 PolarHBondContact OH-OE1 3.38Å
162	G	98	Very high	98.1	Very high	17 Å²	17	41.3 Å²	41.3	18%	0.175	21%	0.205	C	C	.	.			trans	-72.3	148	177.2	0	0	0	0	0	112.6	I158 Q166	I158-G162 WeakPolarHBondContact O-CA 3.39Å; I158-G162 PolarHBondContact O-N 3.02Å; G162-Q166 VanDerWaalsContact CA-OE1 3.26Å
163	S	98.3	Very high	98.1	Very high	46 Å²	46	42.8 Å²	42.8	32%	0.322	22%	0.216	S	C	.	.			trans	-61.4	159.5	161.5	57	0	0	0	0	110.7	E165 Q166 I167	S163-E165 PolarHBondContact O-N 3.3Å; S163-Q166 WeakPolarHBondContact O-CB 3.1Å; S163-Q166 PolarHBondContact O-N 3.18Å; S163-Q166 VanDerWaalsContact OG-CD 3.28Å; S163-Q166 VanDerWaalsContact OG-CG 3.23Å; S163-Q166 WeakPolarHBondContact OG-CG 3.31Å; S163-Q166 PolarHBondContact OG-N 3.49Å; S163-Q166 PolarHBondContact OG-OE1 2.75Å; S163-Q166 VanDerWaalsContact OG-OE1 3.06Å; S163-I167 WeakPolarHBondContact O-CG1 3.25Å; S163-I167 PolarHBondContact O-N 3.22Å
164	K	97.8	Very high	98.1	Very high	140 Å²	140	42.2 Å²	42.2	61%	0.609	21%	0.213	S	C	*	.	H	α-helix	trans	-53.5	-42.7	175.7	-179.1	177	171.9	179.2	0	111.3	Q166 I167 E168	K164-Q166 VanDerWaalsContact C-N 3.35Å; K164-Q166 PolarHBondContact O-N 3.27Å; K164-I167 PolarHBondContact O-N 3.45Å; K164-E168 WeakPolarHBondContact CE-OE1 3.48Å; K164-E168 HydrophobicContact CG-CG 4.37Å; K164-E168 IonicContact NZ-OE1 3.92Å; K164-E168 WeakPolarHBondContact O-CB 3.36Å; K164-E168 WeakPolarHBondContact O-CG 2.82Å; K164-E168 PolarHBondContact O-N 3.31Å
165	E	98	Very high	98.1	Very high	129 Å²	129	42.7 Å²	42.7	60%	0.603	22%	0.216	S	C	*	.	H	α-helix	trans	-64.4	-37.2	178.9	-62.9	73.5	-163.1	0	0	112.1	S163 R169	S163-E165 PolarHBondContact O-N 3.3Å; E165-R169 WeakPolarHBondContact O-CB 3.37Å; E165-R169 PolarHBondContact O-N 2.98Å; E165-R169 VanDerWaalsContact O-N 3.07Å
166	Q	98.4	Very high	98.1	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-43.9	174.9	-75.3	165.5	-29.8	0	0	111.3	G162 S163 K164 R169 F170 L247 S284 L286	G162-Q166 VanDerWaalsContact CA-OE1 3.26Å; S163-Q166 WeakPolarHBondContact O-CB 3.1Å; S163-Q166 PolarHBondContact O-N 3.18Å; S163-Q166 VanDerWaalsContact OG-CD 3.28Å; S163-Q166 VanDerWaalsContact OG-CG 3.23Å; S163-Q166 WeakPolarHBondContact OG-CG 3.31Å; S163-Q166 PolarHBondContact OG-N 3.49Å; S163-Q166 PolarHBondContact OG-OE1 2.75Å; S163-Q166 VanDerWaalsContact OG-OE1 3.06Å; K164-Q166 VanDerWaalsContact C-N 3.35Å; K164-Q166 PolarHBondContact O-N 3.27Å; Q166-R169 PolarHBondContact O-N 2.78Å; Q166-F170 HydrophobicContact CB-CD2 4.32Å; Q166-F170 HydrophobicContact CG-CE2 4.49Å; Q166-F170 WeakPolarHBondContact O-CB 3.33Å; Q166-F170 WeakPolarHBondContact O-CD2 3.32Å; Q166-F170 PolarHBondContact O-N 2.8Å; Q166-L247 HydrophobicContact CB-CD1 4.31Å; Q166-L247 HydrophobicContact CG-CD1 4Å; Q166-S284 PolarHBondContact NE2-O 3.4Å; Q166-L286 PolarHBondContact NE2-O 3.37Å
167	I	98.4	Very high	98.1	Very high	18 Å²	18	43.7 Å²	43.7	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-51.8	178.9	-65.4	169.2	0	0	0	110.2	H120 I158 S163 K164 R169 F170 I171 P172	H120-I167 HydrophobicContact CB-CG2 4.43Å; I158-I167 HydrophobicContact CG2-CG1 4.46Å; I158-I167 WeakPolarHBondContact O-CG1 3.32Å; S163-I167 WeakPolarHBondContact O-CG1 3.25Å; S163-I167 PolarHBondContact O-N 3.22Å; K164-I167 PolarHBondContact O-N 3.45Å; I167-R169 PolarHBondContact O-N 3.42Å; I167-F170 PolarHBondContact O-N 3.05Å; I167-I171 HydrophobicContact CG2-CB 4.48Å; I167-I171 HydrophobicContact CG2-CG1 4.08Å; I167-I171 WeakPolarHBondContact O-CB 3.44Å; I167-I171 PolarHBondContact O-N 3.48Å; I167-P172 WeakPolarHBondContact O-CD 3.38Å
168	E	97.6	Very high	98.1	Very high	115 Å²	115	49.8 Å²	49.8	54%	0.537	25%	0.252	S	S	.	.	H	α-helix	trans	-61.1	-32.9	179.6	-72.9	177.9	168.8	0	0	112.5	K164	K164-E168 WeakPolarHBondContact CE-OE1 3.48Å; K164-E168 HydrophobicContact CG-CG 4.37Å; K164-E168 IonicContact NZ-OE1 3.92Å; K164-E168 WeakPolarHBondContact O-CB 3.36Å; K164-E168 WeakPolarHBondContact O-CG 2.82Å; K164-E168 PolarHBondContact O-N 3.31Å
169	R	97.3	Very high	98.1	Very high	135 Å²	135	52.8 Å²	52.8	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-77.9	-46.1	-180	-176.2	176.9	-177.9	-144.8	-6.6	113.1	E165 Q166 I167 E249	E165-R169 WeakPolarHBondContact O-CB 3.37Å; E165-R169 PolarHBondContact O-N 2.98Å; E165-R169 VanDerWaalsContact O-N 3.07Å; Q166-R169 PolarHBondContact O-N 2.78Å; I167-R169 PolarHBondContact O-N 3.42Å; R169-E249 IonicContact CZ-OE1 2.97Å; R169-E249 IonicContact CZ-OE2 3.16Å; R169-E249 IonicContact NH1-OE1 3.64Å; R169-E249 PolarHBondContact NH1-OE1 3.46Å; R169-E249 IonicContact NH1-OE2 3.94Å; R169-E249 IonicContact NH2-OE1 3.37Å; R169-E249 PolarHBondContact NH2-OE1 2.89Å; R169-E249 IonicContact NH2-OE2 2.86Å; R169-E249 PolarHBondContact NH2-OE2 2.9Å
170	F	98.5	Very high	98.2	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-95.5	-48.2	-168.7	-67.5	-66.4	0	0	0	113.1	I158 Q166 I167 S173 M174 V225 L247 E249	I158-F170 HydrophobicContact CD1-CB 4.36Å; Q166-F170 HydrophobicContact CB-CD2 4.32Å; Q166-F170 HydrophobicContact CG-CE2 4.49Å; Q166-F170 WeakPolarHBondContact O-CB 3.33Å; Q166-F170 WeakPolarHBondContact O-CD2 3.32Å; Q166-F170 PolarHBondContact O-N 2.8Å; I167-F170 PolarHBondContact O-N 3.05Å; F170-S173 PolarHBondContact O-N 3.41Å; F170-M174 HydrophobicContact CB-SD 4.2Å; F170-M174 VanDerWaalsContact O-CG 3.29Å; F170-M174 WeakPolarHBondContact O-CG 3.36Å; F170-M174 PolarHBondContact O-N 3.46Å; F170-V225 HydrophobicContact CD1-CB 4.22Å; F170-V225 HydrophobicContact CD1-CG1 4.27Å; F170-V225 HydrophobicContact CD1-CG2 4.15Å; F170-V225 HydrophobicContact CE1-CB 4.19Å; F170-V225 HydrophobicContact CE1-CG2 3.98Å; F170-V225 HydrophobicContact CZ-CG2 4.38Å; F170-L247 HydrophobicContact CD2-CD1 3.8Å; F170-L247 HydrophobicContact CE2-CD1 3.56Å; F170-L247 HydrophobicContact CZ-CD1 4.42Å; F170-E249 HydrophobicContact CE1-CG 3.94Å; F170-E249 HydrophobicContact CZ-CG 4.02Å
171	I	98.5	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-46.9	-166.8	-60.4	-61.7	0	0	0	112.9	I116 H120 M155 I158 V159 I167 S173 M174 T175	I116-I171 HydrophobicContact CG1-CG2 4.46Å; I116-I171 HydrophobicContact CG2-CG2 3.54Å; H120-I171 HydrophobicContact CB-CG2 3.99Å; H120-I171 WeakPolarHBondContact O-CG2 3.48Å; M155-I171 HydrophobicContact CB-CD1 4.12Å; M155-I171 HydrophobicContact CG-CD1 4.05Å; I158-I171 HydrophobicContact CB-CD1 3.9Å; I158-I171 HydrophobicContact CG2-CD1 3.75Å; I158-I171 HydrophobicContact CG2-CG1 3.97Å; V159-I171 HydrophobicContact CG2-CD1 3.69Å; V159-I171 HydrophobicContact CG2-CG1 3.84Å; I167-I171 HydrophobicContact CG2-CB 4.48Å; I167-I171 HydrophobicContact CG2-CG1 4.08Å; I167-I171 WeakPolarHBondContact O-CB 3.44Å; I167-I171 PolarHBondContact O-N 3.48Å; I171-S173 VanDerWaalsContact C-N 3.27Å; I171-S173 PolarHBondContact O-N 3.15Å; I171-M174 HydrophobicContact CD1-SD 4.47Å; I171-M174 PolarHBondContact O-N 3.4Å; I171-T175 HydrophobicContact CG2-CG2 4.11Å; I171-T175 PolarHBondContact O-N 3.1Å; I171-T175 PolarHBondContact O-OG1 3.07Å
172	P	98.3	Very high	98.3	Very high	54 Å²	54	45 Å²	45	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-33.9	179.7	-25.3	34.5	0	0	0	113.9	I167 T175 A176	I167-P172 WeakPolarHBondContact O-CD 3.38Å; P172-T175 PolarHBondContact O-OG1 3.39Å; P172-A176 VanDerWaalsContact O-CB 3.31Å; P172-A176 WeakPolarHBondContact O-CB 3.42Å; P172-A176 PolarHBondContact O-N 3.45Å
173	S	98.4	Very high	98.4	Very high	36 Å²	36	44.9 Å²	44.9	25%	0.252	22%	0.221	S	C	.	.	H	α-helix	trans	-76.8	-29.7	177.7	-63.8	0	0	0	0	112	F170 I171 G177 K178 H179	F170-S173 PolarHBondContact O-N 3.41Å; I171-S173 VanDerWaalsContact C-N 3.27Å; I171-S173 PolarHBondContact O-N 3.15Å; S173-G177 PolarHBondContact O-N 2.85Å; S173-K178 PolarHBondContact O-N 3.24Å; S173-H179 WeakPolarHBondContact CB-ND1 3.43Å; S173-H179 PolarHBondContact O-N 3.47Å
174	M	98.8	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.6	-44.2	175.8	-69.9	178.3	69.3	0	0	111.4	H150 V154 M155 I158 F170 I171 A176 G177 H179 V225	H150-M174 VanDerWaalsContact CE1-CE 3.46Å; H150-M174 WeakPolarHBondContact CE1-CE 3.49Å; H150-M174 PolarHBondContact NE2-O 3.34Å; H150-M174 VanDerWaalsContact NE2-O 3.15Å; V154-M174 HydrophobicContact CG1-CE 4.07Å; M155-M174 VanDerWaalsContact CE-C 3.41Å; M155-M174 HydrophobicContact CE-CB 3.32Å; M155-M174 HydrophobicContact CE-CE 4.45Å; M155-M174 HydrophobicContact CG-CE 3.61Å; M155-M174 HydrophobicContact CG-SD 4.4Å; I158-M174 HydrophobicContact CD1-CE 4.42Å; I158-M174 HydrophobicContact CD1-SD 3.84Å; F170-M174 HydrophobicContact CB-SD 4.2Å; F170-M174 VanDerWaalsContact O-CG 3.29Å; F170-M174 WeakPolarHBondContact O-CG 3.36Å; F170-M174 PolarHBondContact O-N 3.46Å; I171-M174 HydrophobicContact CD1-SD 4.47Å; I171-M174 PolarHBondContact O-N 3.4Å; M174-A176 PolarHBondContact O-N 2.85Å; M174-G177 PolarHBondContact O-N 3.33Å; M174-H179 WeakPolarHBondContact CA-O 3.34Å; M174-H179 HydrophobicContact CG-CB 3.85Å; M174-V225 HydrophobicContact SD-CG1 4Å
175	T	98.6	Very high	98.4	Very high	10 Å²	10	37 Å²	37	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-31.4	174.8	59.3	0	0	0	0	112	G107 I116 G121 M155 I171 P172 G177	G107-T175 WeakPolarHBondContact CA-O 3.25Å; I116-T175 HydrophobicContact CB-CG2 4.29Å; I116-T175 HydrophobicContact CG1-CG2 4.38Å; I116-T175 HydrophobicContact CG2-CG2 4.22Å; G121-T175 VanDerWaalsContact O-CB 3.24Å; G121-T175 WeakPolarHBondContact O-CB 3.43Å; G121-T175 PolarHBondContact O-OG1 3.44Å; M155-T175 HydrophobicContact CE-CG2 3.58Å; M155-T175 VanDerWaalsContact CE-N 3.32Å; M155-T175 HydrophobicContact SD-CG2 4.36Å; I171-T175 HydrophobicContact CG2-CG2 4.11Å; I171-T175 PolarHBondContact O-N 3.1Å; I171-T175 PolarHBondContact O-OG1 3.07Å; P172-T175 PolarHBondContact O-OG1 3.39Å; T175-G177 PolarHBondContact O-N 2.99Å
176	A	98.3	Very high	98.4	Very high	34 Å²	34	32.8 Å²	32.8	28%	0.281	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.7	172.2	0	0	0	0	0	114.5	P172 M174 K178	P172-A176 VanDerWaalsContact O-CB 3.31Å; P172-A176 WeakPolarHBondContact O-CB 3.42Å; P172-A176 PolarHBondContact O-N 3.45Å; M174-A176 PolarHBondContact O-N 2.85Å; A176-K178 HydrophobicContact CB-CD 4.38Å; A176-K178 HydrophobicContact CB-CG 4.26Å; A176-K178 PolarHBondContact O-N 3.22Å
177	G	98.4	Very high	98.4	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.3	-178.1	0	0	0	0	0	115.5	W103 L112 S173 M174 T175	W103-G177 WeakPolarHBondContact CB-O 3.35Å; L112-G177 VanDerWaalsContact CD1-CA 3.43Å; S173-G177 PolarHBondContact O-N 2.85Å; M174-G177 PolarHBondContact O-N 3.33Å; T175-G177 PolarHBondContact O-N 2.99Å
178	K	98.4	Very high	98.1	Very high	128 Å²	128	36.3 Å²	36.3	56%	0.557	19%	0.189	S	C	*	.	S	Bend	trans	-80.1	-33.2	-179.7	-65.6	179.7	179.2	175.8	0	112.6	S173 A176	S173-K178 PolarHBondContact O-N 3.24Å; A176-K178 HydrophobicContact CB-CD 4.38Å; A176-K178 HydrophobicContact CB-CG 4.26Å; A176-K178 PolarHBondContact O-N 3.22Å
179	H	98.6	Very high	97.9	Very high	62 Å²	62	34.4 Å²	34.4	29%	0.287	20%	0.2	S	C	.	.	S	Bend	trans	-111	130.7	170.6	-74.2	147.2	0	0	0	110.1	H150 S173 M174 D224	H150-H179 PolarHBondContact CE1-O 2.84Å; S173-H179 WeakPolarHBondContact CB-ND1 3.43Å; S173-H179 PolarHBondContact O-N 3.47Å; M174-H179 WeakPolarHBondContact CA-O 3.34Å; M174-H179 HydrophobicContact CG-CB 3.85Å; H179-D224 WeakPolarHBondContact CA-OD2 3.42Å; H179-D224 HydrophobicContact CB-CB 4.08Å; H179-D224 VanDerWaalsContact CD2-CB 3.48Å; H179-D224 WeakPolarHBondContact CD2-CB 3.4Å
180	I	98.8	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.			trans	-102.2	118.3	175.5	-60.2	166.8	0	0	0	109	W103 N219 M222 A223 D224 V225	W103-I180 HydrophobicContact CD2-CD1 3.84Å; W103-I180 HydrophobicContact CD2-CG1 3.78Å; W103-I180 HydrophobicContact CE3-CG1 4.11Å; W103-I180 HydrophobicContact CG-CD1 3.75Å; W103-I180 HydrophobicContact CG-CG1 4.03Å; W103-I180 HydrophobicContact CH2-CG2 3.92Å; W103-I180 HydrophobicContact CZ2-CD1 4.38Å; W103-I180 HydrophobicContact CZ2-CG1 4.42Å; W103-I180 HydrophobicContact CZ2-CG2 3.85Å; W103-I180 HydrophobicContact CZ3-CG2 4.37Å; I180-N219 HydrophobicContact CG2-CB 3.96Å; I180-M222 HydrophobicContact CD1-CB 3.82Å; I180-M222 HydrophobicContact CD1-CE 3.88Å; I180-M222 HydrophobicContact CG2-CB 4.49Å; I180-A223 CarbonylContact O-C 3.55Å; I180-A223 WeakPolarHBondContact O-CA 3.36Å; I180-D224 PolarHBondContact N-OD2 3.41Å; I180-D224 PolarHBondContact O-N 3.47Å; I180-V225 PolarHBondContact O-N 2.97Å
181	G	98.7	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144	171.9	0	0	0	0	0	114.5	H150 N219 V225	H150-G181 PolarHBondContact CE1-N 2.97Å; H150-G181 PolarHBondContact ND1-N 3.35Å; G181-N219 PolarHBondContact O-ND2 2.84Å; G181-V225 WeakPolarHBondContact CA-O 3.5Å
182	A	98.8	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	164.7	163.9	0	0	0	0	0	110.8	I217 S218 N219 A223 V225 V226 V227	A182-I217 HydrophobicContact CB-CG2 3.99Å; A182-S218 WeakPolarHBondContact CB-O 3.3Å; A182-N219 HydrophobicContact CB-CB 4.2Å; A182-A223 HydrophobicContact CB-CB 3.78Å; A182-V225 PolarHBondContact N-O 3.27Å; A182-V226 HydrophobicContact CB-CG1 4.39Å; A182-V226 HydrophobicContact CB-CG2 4.38Å; A182-V226 WeakPolarHBondContact O-CA 3.38Å; A182-V227 PolarHBondContact O-N 2.82Å
183	I	98.8	Very high	96.9	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.077	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.4	171.8	-175.6	154.7	0	0	0	110.1	L149 I153 V154 Y157 M185 V227 L297	L149-I183 HydrophobicContact CD1-CG2 4.3Å; I153-I183 HydrophobicContact CG2-CG2 4.15Å; V154-I183 HydrophobicContact CG2-CB 4.12Å; V154-I183 HydrophobicContact CG2-CG2 4.2Å; Y157-I183 HydrophobicContact CD2-CD1 3.64Å; Y157-I183 HydrophobicContact CE1-CD1 4.4Å; Y157-I183 HydrophobicContact CE2-CD1 3.21Å; Y157-I183 HydrophobicContact CG-CD1 4.4Å; I183-M185 HydrophobicContact CD1-CE 3.33Å; I183-M185 HydrophobicContact CD1-CG 4.45Å; I183-M185 HydrophobicContact CG1-CE 3.72Å; I183-M185 HydrophobicContact CG1-CG 3.95Å; I183-M185 HydrophobicContact CG2-CE 4.25Å; I183-V227 CarbonylContact C-O 3.59Å; I183-V227 WeakPolarHBondContact CA-O 3.47Å; I183-V227 HydrophobicContact CB-CB 4.32Å; I183-V227 HydrophobicContact CD1-CB 4.12Å; I183-V227 HydrophobicContact CD1-CG1 3.97Å; I183-V227 HydrophobicContact CG1-CB 4.03Å; I183-V227 HydrophobicContact CG1-CG1 4.23Å; I183-L297 HydrophobicContact CD1-CD2 4.37Å
184	A	98.6	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	89.9	-172.5	0	0	0	0	0	111.3	K214 I217 V226 V227 V228 V229 L274	A184-K214 HydrophobicContact CB-CB 4.02Å; A184-K214 HydrophobicContact CB-CD 4.29Å; A184-K214 HydrophobicContact CB-CG 3.8Å; A184-K214 WeakPolarHBondContact O-CE 3.42Å; A184-I217 HydrophobicContact CB-CD1 3.94Å; A184-I217 HydrophobicContact CB-CG1 4.03Å; A184-I217 HydrophobicContact CB-CG2 4.34Å; A184-V226 HydrophobicContact CB-CG1 3.62Å; A184-V227 PolarHBondContact N-O 3.43Å; A184-V228 HydrophobicContact CB-CG2 4.37Å; A184-V229 PolarHBondContact O-N 3.33Å; A184-L274 HydrophobicContact CB-CD1 3.97Å
185	M	97.7	Very high	96.3	Very high	21 Å²	21	38.7 Å²	38.7	10%	0.103	24%	0.24	C	C	.	.			trans	-97.5	-57.6	178.8	-50.9	-168.9	-168.5	0	0	111.3	I183 L194 K214 V229 L297	I183-M185 HydrophobicContact CD1-CE 3.33Å; I183-M185 HydrophobicContact CD1-CG 4.45Å; I183-M185 HydrophobicContact CG1-CE 3.72Å; I183-M185 HydrophobicContact CG1-CG 3.95Å; I183-M185 HydrophobicContact CG2-CE 4.25Å; M185-L194 HydrophobicContact CB-CD1 3.8Å; M185-L194 HydrophobicContact SD-CD2 4.29Å; M185-K214 WeakPolarHBondContact O-CD 3.46Å; M185-K214 PolarHBondContact O-NZ 3.44Å; M185-V229 HydrophobicContact CB-CG2 4.05Å; M185-V229 HydrophobicContact CG-CG2 3.72Å; M185-L297 HydrophobicContact CE-CD2 3.62Å; M185-L297 HydrophobicContact SD-CD2 3.97Å
186	T	98	Very high	96.1	Very high	40 Å²	40	39.4 Å²	39.4	25%	0.245	25%	0.249	C	C	.	.			trans	-71.3	140.6	-168.1	-58.4	0	0	0	0	113.7	A190 K214 V215 F216	T186-A190 WeakPolarHBondContact CA-O 3.46Å; T186-K214 VanDerWaalsContact O-CA 3.27Å; T186-K214 WeakPolarHBondContact O-CA 3.46Å; T186-K214 WeakPolarHBondContact O-CB 3.31Å; T186-K214 WeakPolarHBondContact O-CD 3.28Å; T186-V215 HydrophobicContact CG2-CG1 4.26Å; T186-V215 PolarHBondContact O-N 2.88Å; T186-F216 HydrophobicContact CG2-CD2 4.05Å
187	E	98.1	Very high	96.1	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-122.1	160.4	174.3	-59.1	-175.2	-178.7	0	0	110	G189 A190 V197 R198 T199 N213 K214	E187-G189 PolarHBondContact O-N 3.1Å; E187-G189 VanDerWaalsContact O-N 3.08Å; E187-A190 HydrophobicContact CB-CB 4.16Å; E187-A190 PolarHBondContact N-O 3.46Å; E187-A190 CarbonylContact O-C 3.54Å; E187-A190 PolarHBondContact O-N 3.05Å; E187-V197 HydrophobicContact CG-CG1 4.21Å; E187-V197 WeakPolarHBondContact OE1-CB 3.44Å; E187-R198 VanDerWaalsContact CD-N 3.3Å; E187-R198 PolarHBondContact OE1-N 2.93Å; E187-R198 PolarHBondContact OE2-N 3.47Å; E187-T199 WeakPolarHBondContact OE1-CB 3.44Å; E187-T199 PolarHBondContact OE1-N 3.06Å; E187-T199 PolarHBondContact OE1-OG1 2.96Å; E187-N213 WeakPolarHBondContact CG-O 3.31Å; E187-K214 HydrophobicContact CG-CD 3.81Å; E187-K214 IonicContact OE1-NZ 3.68Å; E187-K214 PolarHBondContact OE1-NZ 3.03Å
188	P	94	Very high	96	Very high	93 Å²	93	47.4 Å²	47.4	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.4	175.9	-27.9	36	0	0	0	113.8	N213 V215	P188-N213 WeakPolarHBondContact CD-ND2 3.32Å; P188-N213 WeakPolarHBondContact CG-ND2 3.24Å; P188-V215 HydrophobicContact CG-CB 4.32Å; P188-V215 HydrophobicContact CG-CG1 3.93Å
189	G	92	Very high	96	Very high	75 Å²	75	41.4 Å²	41.4	77%	0.773	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.4	177.1	0	0	0	0	0	115.4	E187	E187-G189 PolarHBondContact O-N 3.1Å; E187-G189 VanDerWaalsContact O-N 3.08Å
190	A	93.3	Very high	96	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-147.7	95.9	-173.8	0	0	0	0	0	111.4	T186 E187 V197	T186-A190 WeakPolarHBondContact CA-O 3.46Å; E187-A190 HydrophobicContact CB-CB 4.16Å; E187-A190 PolarHBondContact N-O 3.46Å; E187-A190 CarbonylContact O-C 3.54Å; E187-A190 PolarHBondContact O-N 3.05Å; A190-V197 HydrophobicContact CB-CG1 3.93Å
191	G	93.3	Very high	96	Very high	40 Å²	40	42.5 Å²	42.5	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	-109.1	-89.1	172.3	0	0	0	0	0	111	D193	G191-D193 VanDerWaalsContact C-N 3.27Å; G191-D193 PolarHBondContact O-N 3.41Å
192	S	93.1	Very high	96	Very high	70 Å²	70	49.5 Å²	49.5	49%	0.49	28%	0.28	S	S	.	.	S	Bend	trans	-59.8	-35.8	176.4	-62	0	0	0	0	113.3	L194	S192-L194 VanDerWaalsContact C-N 3.32Å; S192-L194 PolarHBondContact O-N 3.5Å
193	D	92.8	Very high	95.9	Very high	104 Å²	104	55.8 Å²	55.8	56%	0.556	31%	0.307	S	S	*	.			trans	-85.1	74.3	169.5	-178.1	19.2	0	0	0	110.6	G191 Q195 G196	G191-D193 VanDerWaalsContact C-N 3.27Å; G191-D193 PolarHBondContact O-N 3.41Å; D193-Q195 PolarHBondContact O-N 2.95Å; D193-Q195 PolarHBondContact OD1-N 3.17Å; D193-G196 PolarHBondContact O-N 3.47Å; D193-G196 PolarHBondContact OD1-N 3.01Å
194	L	91.4	Very high	95.9	Very high	26 Å²	26	58.6 Å²	58.6	14%	0.136	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63.1	-22.8	-179	-178.2	57.6	0	0	0	113	M185 S192 G196 V197 F294 L297	M185-L194 HydrophobicContact CB-CD1 3.8Å; M185-L194 HydrophobicContact SD-CD2 4.29Å; S192-L194 VanDerWaalsContact C-N 3.32Å; S192-L194 PolarHBondContact O-N 3.5Å; L194-G196 PolarHBondContact O-N 2.99Å; L194-V197 HydrophobicContact CD1-CG1 4.08Å; L194-V197 WeakPolarHBondContact O-CG1 3.23Å; L194-F294 HydrophobicContact CD2-CE2 4.47Å; L194-F294 HydrophobicContact CG-CE2 4.44Å; L194-L297 HydrophobicContact CD2-CD1 4.12Å
195	Q	92.9	Very high	95.8	Very high	79 Å²	79	61.6 Å²	61.6	37%	0.369	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-74.1	-18.3	175.4	-68.5	-175.6	50.1	0	0	112.3	D193 V197 A239 A240 F294	D193-Q195 PolarHBondContact O-N 2.95Å; D193-Q195 PolarHBondContact OD1-N 3.17Å; Q195-V197 VanDerWaalsContact C-N 3.27Å; Q195-V197 PolarHBondContact O-N 3.21Å; Q195-A239 HydrophobicContact CB-CB 4.13Å; Q195-A240 HydrophobicContact CG-CB 4.46Å; Q195-F294 HydrophobicContact CG-CD2 4.24Å; Q195-F294 HydrophobicContact CG-CE2 3.49Å; Q195-F294 VanDerWaalsContact CG-CE2 3.49Å; Q195-F294 HydrophobicContact CG-CZ 3.67Å
196	G	94.4	Very high	95.6	Very high	25 Å²	25	64.7 Å²	64.7	26%	0.258	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-80.5	6	179.4	0	0	0	0	0	115.5	D193 L194	D193-G196 PolarHBondContact O-N 3.47Å; D193-G196 PolarHBondContact OD1-N 3.01Å; L194-G196 PolarHBondContact O-N 2.99Å
197	V	97.4	Very high	95.6	Very high	8 Å²	8	64.5 Å²	64.5	5%	0.048	38%	0.375	C	S	.	.			trans	-58.9	145.7	177.1	-68	0	0	0	0	111.8	E187 A190 L194 Q195 V229 V231 I243	E187-V197 HydrophobicContact CG-CG1 4.21Å; E187-V197 WeakPolarHBondContact OE1-CB 3.44Å; A190-V197 HydrophobicContact CB-CG1 3.93Å; L194-V197 HydrophobicContact CD1-CG1 4.08Å; L194-V197 WeakPolarHBondContact O-CG1 3.23Å; Q195-V197 VanDerWaalsContact C-N 3.27Å; Q195-V197 PolarHBondContact O-N 3.21Å; V197-V229 HydrophobicContact CG2-CG1 4.38Å; V197-V231 HydrophobicContact CG2-CG2 4.09Å; V197-V231 VanDerWaalsContact O-CG2 3.24Å; V197-V231 WeakPolarHBondContact O-CG2 3.29Å; V197-I243 HydrophobicContact CG2-CD1 4.25Å
198	R	97.6	Very high	95.7	Very high	197 Å²	197	65 Å²	65	74%	0.743	38%	0.376	S	S	*	.			trans	-122.1	-16.9	-174.5	-60.6	-174.8	-178.7	-173.5	0	113.9	E187 Y200	E187-R198 VanDerWaalsContact CD-N 3.3Å; E187-R198 PolarHBondContact OE1-N 2.93Å; E187-R198 PolarHBondContact OE2-N 3.47Å; R198-Y200 PolarHBondContact O-N 3.33Å
199	T	98.6	Very high	95.9	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	35%	0.354	C	S	.	.			trans	-51.9	125.9	169.7	-61.5	0	0	0	0	108.3	E187 L210 N211 N213 K214 V228 T230 V231 F276	E187-T199 WeakPolarHBondContact OE1-CB 3.44Å; E187-T199 PolarHBondContact OE1-N 3.06Å; E187-T199 PolarHBondContact OE1-OG1 2.96Å; T199-L210 HydrophobicContact CG2-CD1 3.55Å; T199-N211 WeakPolarHBondContact CA-O 3.46Å; T199-N213 PolarHBondContact OG1-N 2.7Å; T199-N213 PolarHBondContact OG1-O 3.4Å; T199-K214 WeakPolarHBondContact OG1-CE 3.46Å; T199-V228 HydrophobicContact CG2-CG1 4.47Å; T199-T230 HydrophobicContact CG2-CG2 4.29Å; T199-T230 CarbonylContact O-C 3.56Å; T199-T230 WeakPolarHBondContact O-CA 3.37Å; T199-V231 PolarHBondContact O-N 2.94Å; T199-F276 HydrophobicContact CG2-CD2 4.47Å
200	Y	98.6	Very high	96.2	Very high	82 Å²	82	58.2 Å²	58.2	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149	-171.4	71.2	-86.1	0	0	0	111.7	R198 K202 L210 N211 V231 R234	R198-Y200 PolarHBondContact O-N 3.33Å; Y200-K202 HydrophobicContact CD2-CB 4.28Å; Y200-K202 HydrophobicContact CE2-CB 4.26Å; Y200-L210 WeakPolarHBondContact O-CA 3.35Å; Y200-L210 WeakPolarHBondContact O-CD1 3.31Å; Y200-N211 HydrophobicContact CD1-CB 4.33Å; Y200-N211 HydrophobicContact CE1-CB 3.66Å; Y200-N211 HydrophobicContact CE2-CB 4.26Å; Y200-N211 PolarHBondContact N-O 2.89Å; Y200-N211 PolarHBondContact O-N 2.98Å; Y200-V231 CarbonylContact C-O 3.57Å; Y200-V231 WeakPolarHBondContact CA-O 3.45Å; Y200-V231 WeakPolarHBondContact CB-O 3.35Å; Y200-R234 VanDerWaalsContact CD1-NH2 3.28Å
201	A	98.6	Very high	96.5	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.7	170.1	0	0	0	0	0	108.2	W208 I209 L210 V231 T232 F246	A201-W208 HydrophobicContact CB-CB 4.4Å; A201-W208 HydrophobicContact CB-CE3 4.05Å; A201-I209 WeakPolarHBondContact CA-O 3.5Å; A201-L210 HydrophobicContact CB-CD1 4.44Å; A201-V231 PolarHBondContact N-O 3.36Å; A201-T232 HydrophobicContact CB-CG2 4.11Å; A201-F246 HydrophobicContact CB-CD2 4.23Å; A201-F246 HydrophobicContact CB-CE2 3.6Å; A201-F246 HydrophobicContact CB-CZ 3.97Å
202	K	98	Very high	96.7	Very high	148 Å²	148	58.6 Å²	58.6	64%	0.643	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.6	177.4	-176.2	-177.9	175.1	-174.2	0	109.7	Y200 W208 I209	Y200-K202 HydrophobicContact CD2-CB 4.28Å; Y200-K202 HydrophobicContact CE2-CB 4.26Å; K202-W208 CarbonylContact O-C 3.59Å; K202-W208 WeakPolarHBondContact O-CA 3.34Å; K202-I209 PolarHBondContact N-O 3Å; K202-I209 PolarHBondContact O-N 3.29Å
203	K	97.5	Very high	97	Very high	132 Å²	132	58.1 Å²	58.1	57%	0.574	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.9	176.1	-161.6	170.2	-174.5	176.4	0	111.2	G205 D207 W208	K203-G205 VanDerWaalsContact CE-O 3.23Å; K203-G205 WeakPolarHBondContact CE-O 3.48Å; K203-D207 WeakPolarHBondContact CA-O 3.47Å; K203-W208 HydrophobicContact CB-CD2 4.47Å; K203-W208 HydrophobicContact CB-CE3 4.08Å; K203-W208 HydrophobicContact CB-CH2 4.15Å; K203-W208 HydrophobicContact CB-CZ3 3.92Å; K203-W208 HydrophobicContact CD-CH2 4.46Å; K203-W208 HydrophobicContact CD-CZ2 4.38Å; K203-W208 HydrophobicContact CG-CZ2 4.45Å
204	D	97.4	Very high	97.2	Very high	74 Å²	74	53.1 Å²	53.1	40%	0.396	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	93	175.5	180	33.8	0	0	0	109	S206 D207 I209 R280	D204-S206 PolarHBondContact O-N 3.15Å; D204-D207 PolarHBondContact N-O 3.35Å; D204-D207 PolarHBondContact O-N 3.05Å; D204-I209 HydrophobicContact CB-CD1 4.3Å; D204-I209 HydrophobicContact CB-CG1 3.78Å; D204-R280 IonicContact OD2-CZ 2.78Å; D204-R280 VanDerWaalsContact OD2-CZ 3.31Å; D204-R280 IonicContact OD2-NH1 3.55Å; D204-R280 PolarHBondContact OD2-NH1 2.96Å; D204-R280 IonicContact OD2-NH2 3.45Å; D204-R280 PolarHBondContact OD2-NH2 2.97Å
205	G	96.4	Very high	97.6	Very high	63 Å²	63	52.3 Å²	52.3	65%	0.649	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-123	-169.6	0	0	0	0	0	112.1	K203	K203-G205 VanDerWaalsContact CE-O 3.23Å; K203-G205 WeakPolarHBondContact CE-O 3.48Å
206	S	95.2	Very high	97.8	Very high	85 Å²	85	55.1 Å²	55.1	59%	0.594	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-22	171.1	54	0	0	0	0	113.1	D204 A283	D204-S206 PolarHBondContact O-N 3.15Å; S206-A283 WeakPolarHBondContact O-CB 3.36Å
207	D	97.9	Very high	98	Very high	37 Å²	37	54.2 Å²	54.2	20%	0.198	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	179.2	-170.4	-68.1	3.4	0	0	0	111.1	K203 D204 R280 L281	K203-D207 WeakPolarHBondContact CA-O 3.47Å; D204-D207 PolarHBondContact N-O 3.35Å; D204-D207 PolarHBondContact O-N 3.05Å; D207-R280 HydrophobicContact CB-CG 4.25Å; D207-R280 WeakPolarHBondContact OD2-CD 3.39Å; D207-R280 IonicContact OD2-NH1 3.56Å; D207-L281 CarbonylContact C-O 3.57Å; D207-L281 WeakPolarHBondContact CA-O 3.14Å; D207-L281 WeakPolarHBondContact CB-O 3.46Å
208	W	98.7	Very high	98.1	Very high	20 Å²	20	55 Å²	55	8%	0.076	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.1	173.5	-59.3	83.4	0	0	0	110.3	A201 K202 K203 T232 F246 R280 L281 L290	A201-W208 HydrophobicContact CB-CB 4.4Å; A201-W208 HydrophobicContact CB-CE3 4.05Å; K202-W208 CarbonylContact O-C 3.59Å; K202-W208 WeakPolarHBondContact O-CA 3.34Å; K203-W208 HydrophobicContact CB-CD2 4.47Å; K203-W208 HydrophobicContact CB-CE3 4.08Å; K203-W208 HydrophobicContact CB-CH2 4.15Å; K203-W208 HydrophobicContact CB-CZ3 3.92Å; K203-W208 HydrophobicContact CD-CH2 4.46Å; K203-W208 HydrophobicContact CD-CZ2 4.38Å; K203-W208 HydrophobicContact CG-CZ2 4.45Å; W208-T232 HydrophobicContact CE3-CG2 4.41Å; W208-T232 HydrophobicContact CH2-CG2 4.4Å; W208-T232 HydrophobicContact CZ3-CG2 3.95Å; W208-F246 HydrophobicContact CB-CE1 4.23Å; W208-F246 HydrophobicContact CB-CZ 4.39Å; W208-F246 AromaticContact CD1-CE1 3.63Å; W208-F246 HydrophobicContact CD2-CE1 4.1Å; W208-F246 AromaticContact CD2-CZ 3.71Å; W208-F246 HydrophobicContact CD2-CZ 3.71Å; W208-F246 AromaticContact CE2-CZ 3.95Å; W208-F246 HydrophobicContact CE3-CZ 4.12Å; W208-F246 AromaticContact CG-CE1 3.73Å; W208-F246 HydrophobicContact CG-CE1 3.73Å; W208-F246 AromaticContact CG-CZ 3.8Å; W208-F246 HydrophobicContact CG-CZ 3.8Å; W208-F246 AromaticContact NE1-CE1 3.93Å; W208-R280 CarbonylContact O-C 3.6Å; W208-R280 WeakPolarHBondContact O-CA 3.38Å; W208-L281 HydrophobicContact CB-CB 4.25Å; W208-L281 PolarHBondContact N-O 3.47Å; W208-L281 PolarHBondContact O-N 3.03Å; W208-L290 HydrophobicContact CH2-CD1 3.48Å; W208-L290 VanDerWaalsContact CH2-CD1 3.48Å; W208-L290 HydrophobicContact CH2-CD2 4.24Å; W208-L290 HydrophobicContact CZ2-CD1 3.72Å; W208-L290 HydrophobicContact CZ3-CD1 4.41Å
209	I	98.8	Very high	98.1	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.138	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112	170.6	-51.7	-58.8	0	0	0	107.8	A201 K202 D204 D278 V279 R280	A201-I209 WeakPolarHBondContact CA-O 3.5Å; K202-I209 PolarHBondContact N-O 3Å; K202-I209 PolarHBondContact O-N 3.29Å; D204-I209 HydrophobicContact CB-CD1 4.3Å; D204-I209 HydrophobicContact CB-CG1 3.78Å; I209-D278 HydrophobicContact CG2-CB 4.06Å; I209-D278 WeakPolarHBondContact CG2-OD1 3.45Å; I209-V279 WeakPolarHBondContact CA-O 3.16Å; I209-R280 HydrophobicContact CD1-CB 4.11Å; I209-R280 HydrophobicContact CD1-CG 4.21Å
210	L	98.9	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.1	-179.9	170.1	65.2	0	0	0	110.5	T199 Y200 A201 V228 T230 V248 F276 V279 L281	T199-L210 HydrophobicContact CG2-CD1 3.55Å; Y200-L210 WeakPolarHBondContact O-CA 3.35Å; Y200-L210 WeakPolarHBondContact O-CD1 3.31Å; A201-L210 HydrophobicContact CB-CD1 4.44Å; L210-V228 HydrophobicContact CD2-CG1 4.43Å; L210-T230 HydrophobicContact CD1-CG2 3.55Å; L210-V248 HydrophobicContact CD2-CG2 3.75Å; L210-F276 HydrophobicContact CD2-CB 4.18Å; L210-F276 HydrophobicContact CD2-CD1 3.57Å; L210-F276 HydrophobicContact CD2-CE1 4.07Å; L210-F276 HydrophobicContact CD2-CG 3.84Å; L210-F276 HydrophobicContact CG-CB 3.88Å; L210-F276 HydrophobicContact CG-CD1 4.24Å; L210-F276 HydrophobicContact CG-CG 4.04Å; L210-V279 HydrophobicContact CB-CB 4.16Å; L210-V279 PolarHBondContact N-O 3.35Å; L210-V279 PolarHBondContact O-N 3.45Å; L210-L281 HydrophobicContact CB-CD1 3.77Å; L210-L281 HydrophobicContact CB-CG 4.4Å; L210-L281 HydrophobicContact CD2-CD1 3.94Å; L210-L281 HydrophobicContact CG-CD1 4.46Å
211	N	98.9	Very high	98.1	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.134	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.4	176.2	-83.3	-77.1	0	0	0	111.4	T199 Y200 F276 D278	T199-N211 WeakPolarHBondContact CA-O 3.46Å; Y200-N211 HydrophobicContact CD1-CB 4.33Å; Y200-N211 HydrophobicContact CE1-CB 3.66Å; Y200-N211 HydrophobicContact CE2-CB 4.26Å; Y200-N211 PolarHBondContact N-O 2.89Å; Y200-N211 PolarHBondContact O-N 2.98Å; N211-F276 WeakPolarHBondContact CA-O 3.49Å; N211-D278 PolarHBondContact ND2-OD1 3.33Å; N211-D278 PolarHBondContact OD1-N 3.35Å; N211-D278 PolarHBondContact OD1-OD1 2.91Å
212	G	98.4	Very high	98	Very high	25 Å²	25	46.4 Å²	46.4	26%	0.258	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-161.6	174.6	0	0	0	0	0	112.6	F276	G212-F276 PolarHBondContact N-O 3.37Å; G212-F276 PolarHBondContact O-N 3.05Å
213	N	98.1	Very high	98	Very high	59 Å²	59	39.4 Å²	39.4	32%	0.316	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	149.2	180	67.1	-62.5	0	0	0	111.1	E187 P188 T199 L274 F275	E187-N213 WeakPolarHBondContact CG-O 3.31Å; P188-N213 WeakPolarHBondContact CD-ND2 3.32Å; P188-N213 WeakPolarHBondContact CG-ND2 3.24Å; T199-N213 PolarHBondContact OG1-N 2.7Å; T199-N213 PolarHBondContact OG1-O 3.4Å; N213-L274 CarbonylContact C-O 3.16Å; N213-L274 WeakPolarHBondContact CA-O 3.28Å; N213-F275 HydrophobicContact CB-CD1 3.68Å; N213-F275 HydrophobicContact CB-CE1 4.01Å
214	K	98.7	Very high	98.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.6	178.8	-59.6	-76.5	-179.6	-167.8	0	109.3	A184 M185 T186 E187 T199 I217 V229 E273 L274 F276	A184-K214 HydrophobicContact CB-CB 4.02Å; A184-K214 HydrophobicContact CB-CD 4.29Å; A184-K214 HydrophobicContact CB-CG 3.8Å; A184-K214 WeakPolarHBondContact O-CE 3.42Å; M185-K214 WeakPolarHBondContact O-CD 3.46Å; M185-K214 PolarHBondContact O-NZ 3.44Å; T186-K214 VanDerWaalsContact O-CA 3.27Å; T186-K214 WeakPolarHBondContact O-CA 3.46Å; T186-K214 WeakPolarHBondContact O-CB 3.31Å; T186-K214 WeakPolarHBondContact O-CD 3.28Å; E187-K214 HydrophobicContact CG-CD 3.81Å; E187-K214 IonicContact OE1-NZ 3.68Å; E187-K214 PolarHBondContact OE1-NZ 3.03Å; T199-K214 WeakPolarHBondContact OG1-CE 3.46Å; K214-I217 HydrophobicContact CB-CD1 4.05Å; K214-I217 HydrophobicContact CB-CG1 3.92Å; K214-V229 VanDerWaalsContact CE-O 3.22Å; K214-V229 WeakPolarHBondContact CE-O 3.5Å; K214-V229 PolarHBondContact NZ-O 3.35Å; K214-E273 CarbonylContact O-C 3.34Å; K214-E273 WeakPolarHBondContact O-CA 3.45Å; K214-L274 HydrophobicContact CB-CB 4.24Å; K214-L274 PolarHBondContact N-O 2.78Å; K214-L274 PolarHBondContact O-N 2.73Å; K214-F276 HydrophobicContact CB-CE2 4.48Å; K214-F276 HydrophobicContact CG-CE2 3.83Å
215	V	98.3	Very high	98.2	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.055	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.5	-177.1	67.2	0	0	0	0	110.2	T186 P188 I217 L261 E273	T186-V215 HydrophobicContact CG2-CG1 4.26Å; T186-V215 PolarHBondContact O-N 2.88Å; P188-V215 HydrophobicContact CG-CB 4.32Å; P188-V215 HydrophobicContact CG-CG1 3.93Å; V215-I217 WeakPolarHBondContact O-CD1 3.44Å; V215-L261 HydrophobicContact CG2-CD1 4Å; V215-E273 HydrophobicContact CB-CG 4.42Å; V215-E273 HydrophobicContact CG2-CG 3.87Å
216	F	98	Very high	98.3	Very high	138 Å²	138	27.7 Å²	27.7	61%	0.605	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	65.8	33.5	-175.1	-48.9	-54.3	0	0	0	113.8	T186 S218 L261 T271 A272	T186-F216 HydrophobicContact CG2-CD2 4.05Å; F216-S218 PolarHBondContact O-N 2.72Å; F216-L261 HydrophobicContact CD1-CD1 3.5Å; F216-L261 VanDerWaalsContact CD1-CD1 3.5Å; F216-L261 HydrophobicContact CE1-CD1 3.84Å; F216-T271 VanDerWaalsContact C-CG2 3.49Å; F216-T271 HydrophobicContact CB-CG2 4.39Å; F216-A272 PolarHBondContact N-O 2.81Å
217	I	98.6	Very high	98.5	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.026	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.8	-176.8	-51.9	-44.7	0	0	0	110	A182 A184 K214 V215 G220 T271 A272 L274	A182-I217 HydrophobicContact CB-CG2 3.99Å; A184-I217 HydrophobicContact CB-CD1 3.94Å; A184-I217 HydrophobicContact CB-CG1 4.03Å; A184-I217 HydrophobicContact CB-CG2 4.34Å; K214-I217 HydrophobicContact CB-CD1 4.05Å; K214-I217 HydrophobicContact CB-CG1 3.92Å; V215-I217 WeakPolarHBondContact O-CD1 3.44Å; I217-G220 WeakPolarHBondContact O-CA 3.11Å; I217-G220 PolarHBondContact O-N 3.23Å; I217-T271 WeakPolarHBondContact O-CA 3.34Å; I217-A272 PolarHBondContact N-O 2.71Å; I217-A272 PolarHBondContact O-N 2.92Å; I217-L274 HydrophobicContact CB-CD1 4.14Å; I217-L274 HydrophobicContact CB-CG 4.28Å; I217-L274 HydrophobicContact CG1-CD1 3.96Å; I217-L274 HydrophobicContact CG1-CG 4.08Å; I217-L274 HydrophobicContact CG2-CD1 3.92Å
218	S	98.3	Very high	98.5	Very high	25 Å²	25	21.9 Å²	21.9	18%	0.175	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	140.8	171.3	-63.3	0	0	0	0	110.9	L149 A182 F216 G220 D270	L149-S218 VanDerWaalsContact CD2-O 3.31Å; L149-S218 WeakPolarHBondContact CD2-O 3.49Å; A182-S218 WeakPolarHBondContact CB-O 3.3Å; F216-S218 PolarHBondContact O-N 2.72Å; S218-G220 PolarHBondContact O-N 3.2Å; S218-D270 WeakPolarHBondContact CA-O 3.49Å
219	N	98.4	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	1.5	-167.7	-62.2	-9.8	0	0	0	114.6	G146 L149 I180 G181 A182 W221 M222 A223 D270	G146-N219 PolarHBondContact O-ND2 3.26Å; L149-N219 HydrophobicContact CD2-CB 4Å; I180-N219 HydrophobicContact CG2-CB 3.96Å; G181-N219 PolarHBondContact O-ND2 2.84Å; A182-N219 HydrophobicContact CB-CB 4.2Å; N219-W221 VanDerWaalsContact C-N 3.25Å; N219-W221 PolarHBondContact O-N 3.15Å; N219-M222 CarbonylContact O-C 3.58Å; N219-M222 PolarHBondContact O-N 3.38Å; N219-M222 VanDerWaalsContact O-N 3.13Å; N219-A223 WeakPolarHBondContact O-CA 3.49Å; N219-A223 WeakPolarHBondContact O-CB 3.48Å; N219-A223 PolarHBondContact O-N 2.65Å; N219-D270 WeakPolarHBondContact CA-OD1 3.42Å; N219-D270 WeakPolarHBondContact CA-OD2 3.38Å; N219-D270 PolarHBondContact N-O 3.49Å; N219-D270 VanDerWaalsContact N-O 3.11Å
220	G	98.2	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.4	-172.1	0	0	0	0	0	114.2	I217 S218 K257 D270	I217-G220 WeakPolarHBondContact O-CA 3.11Å; I217-G220 PolarHBondContact O-N 3.23Å; S218-G220 PolarHBondContact O-N 3.2Å; G220-K257 WeakPolarHBondContact O-CD 3.35Å; G220-K257 WeakPolarHBondContact O-CE 3.46Å; G220-D270 PolarHBondContact N-OD2 3.46Å; G220-D270 VanDerWaalsContact N-OD2 3.14Å
221	W	98.1	Very high	98.5	Very high	95 Å²	95	20.7 Å²	20.7	36%	0.36	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-43.5	175.7	-178	-103	0	0	0	111.3	N219 K257 G258 K260 D270 A272	N219-W221 VanDerWaalsContact C-N 3.25Å; N219-W221 PolarHBondContact O-N 3.15Å; W221-K257 HydrophobicContact CE3-CB 4.03Å; W221-K257 HydrophobicContact CZ3-CB 4.2Å; W221-K257 VanDerWaalsContact O-CD 3.31Å; W221-K257 WeakPolarHBondContact O-CD 3.35Å; W221-K257 WeakPolarHBondContact O-CE 3.46Å; W221-K257 PolarHBondContact O-NZ 3Å; W221-G258 WeakPolarHBondContact CZ3-O 3.27Å; W221-K260 HydrophobicContact CB-CD 4.22Å; W221-K260 HydrophobicContact CB-CG 3.87Å; W221-K260 HydrophobicContact CD2-CD 4.13Å; W221-K260 HydrophobicContact CD2-CG 3.76Å; W221-K260 HydrophobicContact CE3-CG 4.18Å; W221-K260 HydrophobicContact CG-CD 3.74Å; W221-K260 HydrophobicContact CG-CG 3.61Å; W221-D270 WeakPolarHBondContact CA-OD2 3.41Å; W221-D270 HydrophobicContact CB-CB 3.84Å; W221-D270 WeakPolarHBondContact CB-OD2 3.45Å; W221-D270 PolarHBondContact N-OD2 3.4Å; W221-A272 HydrophobicContact CB-CB 4.15Å
222	M	97.8	Very high	98.5	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.034	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.1	179.6	-64.2	-170.1	73.3	0	0	113.6	Q97 V98 R100 I180 N219 D270	Q97-M222 HydrophobicContact CB-CG 4.45Å; Q97-M222 HydrophobicContact CB-SD 3.94Å; Q97-M222 HydrophobicContact CG-SD 4.49Å; V98-M222 HydrophobicContact CG2-CE 4.48Å; V98-M222 HydrophobicContact CG2-SD 4.12Å; V98-M222 WeakPolarHBondContact O-CE 3.48Å; R100-M222 HydrophobicContact CG-CE 3.81Å; R100-M222 PolarHBondContact NH2-O 2.87Å; I180-M222 HydrophobicContact CD1-CB 3.82Å; I180-M222 HydrophobicContact CD1-CE 3.88Å; I180-M222 HydrophobicContact CG2-CB 4.49Å; N219-M222 CarbonylContact O-C 3.58Å; N219-M222 PolarHBondContact O-N 3.38Å; N219-M222 VanDerWaalsContact O-N 3.13Å; M222-D270 PolarHBondContact N-OD2 2.79Å
223	A	98.4	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.			trans	-61.9	136.7	-169.6	0	0	0	0	0	113.9	I180 A182 N219 V226 K257	I180-A223 CarbonylContact O-C 3.55Å; I180-A223 WeakPolarHBondContact O-CA 3.36Å; A182-A223 HydrophobicContact CB-CB 3.78Å; N219-A223 WeakPolarHBondContact O-CA 3.49Å; N219-A223 WeakPolarHBondContact O-CB 3.48Å; N219-A223 PolarHBondContact O-N 2.65Å; A223-V226 HydrophobicContact CB-CG2 3.87Å; A223-K257 VanDerWaalsContact O-CE 3.23Å; A223-K257 WeakPolarHBondContact O-CE 3.38Å; A223-K257 PolarHBondContact O-NZ 3.04Å
224	D	98.8	Very high	98.1	Very high	21 Å²	21	28.1 Å²	28.1	11%	0.112	13%	0.127	C	C	.	.	S	Bend	trans	-101.1	-28.7	171.9	-57.4	-61.6	0	0	0	111.2	R100 H179 I180 E249 N250	R100-D224 IonicContact CZ-OD1 3.56Å; R100-D224 IonicContact CZ-OD2 2.74Å; R100-D224 IonicContact NH1-OD1 3.74Å; R100-D224 PolarHBondContact NH1-OD1 2.93Å; R100-D224 IonicContact NH1-OD2 3.53Å; R100-D224 PolarHBondContact NH1-OD2 2.89Å; R100-D224 IonicContact NH2-OD1 3.82Å; R100-D224 PolarHBondContact NH2-OD1 3.19Å; R100-D224 IonicContact NH2-OD2 2.84Å; R100-D224 PolarHBondContact NH2-OD2 2.8Å; H179-D224 WeakPolarHBondContact CA-OD2 3.42Å; H179-D224 HydrophobicContact CB-CB 4.08Å; H179-D224 VanDerWaalsContact CD2-CB 3.48Å; H179-D224 WeakPolarHBondContact CD2-CB 3.4Å; I180-D224 PolarHBondContact N-OD2 3.41Å; I180-D224 PolarHBondContact O-N 3.47Å; D224-E249 CarbonylContact O-C 3.59Å; D224-E249 WeakPolarHBondContact O-CA 3.4Å; D224-N250 PolarHBondContact O-N 2.78Å
225	V	98.8	Very high	97.9	Very high	2 Å²	2	37 Å²	37	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.9	172.3	55.4	0	0	0	0	110.3	F170 M174 I180 G181 A182 L247	F170-V225 HydrophobicContact CD1-CB 4.22Å; F170-V225 HydrophobicContact CD1-CG1 4.27Å; F170-V225 HydrophobicContact CD1-CG2 4.15Å; F170-V225 HydrophobicContact CE1-CB 4.19Å; F170-V225 HydrophobicContact CE1-CG2 3.98Å; F170-V225 HydrophobicContact CZ-CG2 4.38Å; M174-V225 HydrophobicContact SD-CG1 4Å; I180-V225 PolarHBondContact O-N 2.97Å; G181-V225 WeakPolarHBondContact CA-O 3.5Å; A182-V225 PolarHBondContact N-O 3.27Å; V225-L247 HydrophobicContact CG2-CB 4.3Å; V225-L247 HydrophobicContact CG2-CD2 4.1Å
226	V	98.9	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.4	-179.1	-170.4	0	0	0	0	110	A182 A184 A223 V228 L247 V248 F255 L274	A182-V226 HydrophobicContact CB-CG1 4.39Å; A182-V226 HydrophobicContact CB-CG2 4.38Å; A182-V226 WeakPolarHBondContact O-CA 3.38Å; A184-V226 HydrophobicContact CB-CG1 3.62Å; A223-V226 HydrophobicContact CB-CG2 3.87Å; V226-V228 HydrophobicContact CB-CG2 4.12Å; V226-V228 HydrophobicContact CG1-CG2 3.8Å; V226-V228 PolarHBondContact O-N 2.66Å; V226-L247 WeakPolarHBondContact O-CA 3.45Å; V226-V248 PolarHBondContact N-O 2.95Å; V226-V248 PolarHBondContact O-N 3.28Å; V226-F255 HydrophobicContact CG2-CE1 4.38Å; V226-F255 HydrophobicContact CG2-CZ 3.99Å; V226-L274 HydrophobicContact CG1-CD1 3.97Å; V226-L274 HydrophobicContact CG2-CD1 4.3Å
227	V	98.9	Very high	97.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	109.5	165.6	-179.7	0	0	0	0	107.7	V154 A182 I183 A184 L245 F246 L247 L287	V154-V227 HydrophobicContact CG1-CG2 4.05Å; A182-V227 PolarHBondContact O-N 2.82Å; I183-V227 CarbonylContact C-O 3.59Å; I183-V227 WeakPolarHBondContact CA-O 3.47Å; I183-V227 HydrophobicContact CB-CB 4.32Å; I183-V227 HydrophobicContact CD1-CB 4.12Å; I183-V227 HydrophobicContact CD1-CG1 3.97Å; I183-V227 HydrophobicContact CG1-CB 4.03Å; I183-V227 HydrophobicContact CG1-CG1 4.23Å; A184-V227 PolarHBondContact N-O 3.43Å; V227-L245 HydrophobicContact CG1-CB 4.22Å; V227-L245 HydrophobicContact CG1-CD1 4.15Å; V227-L245 HydrophobicContact CG1-CD2 4.47Å; V227-F246 CarbonylContact C-O 3.19Å; V227-F246 WeakPolarHBondContact CA-O 3.4Å; V227-L247 HydrophobicContact CG2-CD2 3.73Å; V227-L287 HydrophobicContact CG1-CD2 4Å; V227-L287 HydrophobicContact CG2-CD2 4.21Å
228	V	98.9	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.9	-175.8	-173.2	0	0	0	0	110.5	A184 T199 L210 V226 T230 L245 F246 V248 F276	A184-V228 HydrophobicContact CB-CG2 4.37Å; T199-V228 HydrophobicContact CG2-CG1 4.47Å; L210-V228 HydrophobicContact CD2-CG1 4.43Å; V226-V228 HydrophobicContact CB-CG2 4.12Å; V226-V228 HydrophobicContact CG1-CG2 3.8Å; V226-V228 PolarHBondContact O-N 2.66Å; V228-T230 HydrophobicContact CB-CG2 4.3Å; V228-T230 HydrophobicContact CG1-CG2 3.79Å; V228-L245 WeakPolarHBondContact O-CA 3.49Å; V228-F246 PolarHBondContact N-O 3.42Å; V228-F246 PolarHBondContact O-N 3.47Å; V228-V248 HydrophobicContact CB-CG2 4.18Å; V228-V248 HydrophobicContact CG2-CB 3.97Å; V228-V248 HydrophobicContact CG2-CG2 3.52Å; V228-F276 HydrophobicContact CG1-CE2 4.21Å; V228-F276 HydrophobicContact CG1-CZ 4.06Å; V228-F276 HydrophobicContact CG2-CE1 4.04Å; V228-F276 HydrophobicContact CG2-CZ 3.78Å
229	V	98.7	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.5	172.3	-176.7	0	0	0	0	109.5	A184 M185 V197 K214 I243 L245 L297	A184-V229 PolarHBondContact O-N 3.33Å; M185-V229 HydrophobicContact CB-CG2 4.05Å; M185-V229 HydrophobicContact CG-CG2 3.72Å; V197-V229 HydrophobicContact CG2-CG1 4.38Å; K214-V229 VanDerWaalsContact CE-O 3.22Å; K214-V229 WeakPolarHBondContact CE-O 3.5Å; K214-V229 PolarHBondContact NZ-O 3.35Å; V229-I243 HydrophobicContact CG1-CG2 3.62Å; V229-L245 HydrophobicContact CB-CD2 4.32Å; V229-L245 HydrophobicContact CG2-CD2 3.77Å; V229-L297 HydrophobicContact CG1-CD1 4.04Å; V229-L297 HydrophobicContact CG2-CD1 3.86Å; V229-L297 HydrophobicContact CG2-CD2 4.11Å
230	T	98.6	Very high	96.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.5	-172.4	66.1	0	0	0	0	111.9	T199 L210 V228 I243 S244 F246	T199-T230 HydrophobicContact CG2-CG2 4.29Å; T199-T230 CarbonylContact O-C 3.56Å; T199-T230 WeakPolarHBondContact O-CA 3.37Å; L210-T230 HydrophobicContact CD1-CG2 3.55Å; V228-T230 HydrophobicContact CB-CG2 4.3Å; V228-T230 HydrophobicContact CG1-CG2 3.79Å; T230-I243 CarbonylContact O-C 3.56Å; T230-I243 VanDerWaalsContact O-CA 3.28Å; T230-I243 WeakPolarHBondContact O-CA 3.48Å; T230-S244 PolarHBondContact N-O 3.49Å; T230-S244 PolarHBondContact O-N 3.27Å; T230-S244 PolarHBondContact OG1-O 2.9Å; T230-F246 HydrophobicContact CG2-CD2 3.96Å; T230-F246 VanDerWaalsContact OG1-CD2 3.25Å; T230-F246 WeakPolarHBondContact OG1-CD2 3.42Å; T230-F246 WeakPolarHBondContact OG1-CE2 3.31Å
231	V	98.6	Very high	96.6	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.7	167	-177.9	0	0	0	0	109	V197 T199 Y200 A201 R234 G242	V197-V231 HydrophobicContact CG2-CG2 4.09Å; V197-V231 VanDerWaalsContact O-CG2 3.24Å; V197-V231 WeakPolarHBondContact O-CG2 3.29Å; T199-V231 PolarHBondContact O-N 2.94Å; Y200-V231 CarbonylContact C-O 3.57Å; Y200-V231 WeakPolarHBondContact CA-O 3.45Å; Y200-V231 WeakPolarHBondContact CB-O 3.35Å; A201-V231 PolarHBondContact N-O 3.36Å; V231-R234 HydrophobicContact CG1-CG 3.76Å; V231-G242 CarbonylContact C-O 3.18Å; V231-G242 WeakPolarHBondContact CA-O 3.23Å
232	T	98.3	Very high	96.6	Very high	26 Å²	26	46.2 Å²	46.2	16%	0.16	23%	0.231	C	C	.	.			trans	-113.1	-19.5	177.4	41.8	0	0	0	0	113.2	A201 W208 G242 S244 F246 L290 N291	A201-T232 HydrophobicContact CB-CG2 4.11Å; W208-T232 HydrophobicContact CE3-CG2 4.41Å; W208-T232 HydrophobicContact CH2-CG2 4.4Å; W208-T232 HydrophobicContact CZ3-CG2 3.95Å; T232-G242 PolarHBondContact N-O 2.78Å; T232-G242 PolarHBondContact OG1-O 3.25Å; T232-S244 WeakPolarHBondContact OG1-CB 3.2Å; T232-S244 PolarHBondContact OG1-OG 2.9Å; T232-F246 HydrophobicContact CG2-CE2 3.69Å; T232-F246 HydrophobicContact CG2-CZ 4.14Å; T232-L290 HydrophobicContact CG2-CD1 4.07Å; T232-N291 PolarHBondContact OG1-OD1 2.7Å
233	N	97.1	Very high	96.6	Very high	59 Å²	59	46 Å²	46	32%	0.316	23%	0.23	S	C	.	.			trans	-139.4	103.2	174.3	-177.6	6.1	0	0	0	111.5	E235 A236 G242	N233-E235 VanDerWaalsContact C-N 3.29Å; N233-E235 PolarHBondContact O-N 3.38Å; N233-E235 PolarHBondContact OD1-N 3.33Å; N233-A236 HydrophobicContact CB-CB 4.3Å; N233-A236 WeakPolarHBondContact O-CB 3.47Å; N233-A236 PolarHBondContact OD1-N 3.48Å; N233-G242 PolarHBondContact N-O 3.34Å; N233-G242 VanDerWaalsContact N-O 3.1Å; N233-G242 WeakPolarHBondContact O-CA 3.36Å
234	R	92.5	Very high	96.6	Very high	181 Å²	181	46 Å²	46	68%	0.683	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-18.1	178.6	-67	-177.3	178.4	-178.9	1	113.6	Y200 V231	Y200-R234 VanDerWaalsContact CD1-NH2 3.28Å; V231-R234 HydrophobicContact CG1-CG 3.76Å
235	E	94.2	Very high	96.6	Very high	185 Å²	185	45 Å²	45	86%	0.864	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	7.2	-178.5	-61.1	177.1	-175.6	0	0	111.9	N233	N233-E235 VanDerWaalsContact C-N 3.29Å; N233-E235 PolarHBondContact O-N 3.38Å; N233-E235 PolarHBondContact OD1-N 3.33Å
236	A	94.6	Very high	96.6	Very high	22 Å²	22	44.9 Å²	44.9	18%	0.182	22%	0.224	C	C	.	.	S	Bend	trans	-60.1	150.9	177.2	0	0	0	0	0	111.6	N233 T238 H241	N233-A236 HydrophobicContact CB-CB 4.3Å; N233-A236 WeakPolarHBondContact O-CB 3.47Å; N233-A236 PolarHBondContact OD1-N 3.48Å; A236-T238 PolarHBondContact O-N 2.97Å; A236-T238 VanDerWaalsContact O-N 3.08Å; A236-H241 HydrophobicContact CB-CB 4.04Å; A236-H241 WeakPolarHBondContact CB-O 3.39Å
237	K	91.7	Very high	96.6	Very high	203 Å²	203	45 Å²	45	88%	0.883	23%	0.225	S	C	*	.	S	Bend	trans	-51.8	-36.9	-178.7	-177.8	-179.2	176.9	-177.5	0	113.2
238	T	93.8	Very high	96.6	Very high	59 Å²	59	45 Å²	45	36%	0.362	22%	0.224	S	C	.	.	S	Bend	trans	-137.9	157.5	168.4	76.6	0	0	0	0	108.9	A236 A240 H241	A236-T238 PolarHBondContact O-N 2.97Å; A236-T238 VanDerWaalsContact O-N 3.08Å; T238-A240 PolarHBondContact O-N 2.9Å; T238-H241 PolarHBondContact O-N 2.91Å; T238-H241 PolarHBondContact OG1-ND1 2.98Å
239	A	92.8	Very high	96.6	Very high	55 Å²	55	46.7 Å²	46.7	46%	0.455	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53	-40.8	178.4	0	0	0	0	0	112.5	Q195 H241 G242	Q195-A239 HydrophobicContact CB-CB 4.13Å; A239-H241 VanDerWaalsContact C-N 3.28Å; A239-H241 PolarHBondContact O-N 3.28Å; A239-G242 PolarHBondContact O-N 3.14Å
240	A	93.2	Very high	96.6	Very high	15 Å²	15	50.5 Å²	50.5	12%	0.124	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-55.5	-37.1	174.9	0	0	0	0	0	114.2	Q195 T238 G242 F294	Q195-A240 HydrophobicContact CG-CB 4.46Å; T238-A240 PolarHBondContact O-N 2.9Å; A240-G242 PolarHBondContact O-N 3.44Å; A240-F294 HydrophobicContact CB-CB 4.14Å; A240-F294 HydrophobicContact CB-CD1 3.52Å; A240-F294 HydrophobicContact CB-CD2 4.35Å; A240-F294 HydrophobicContact CB-CE1 3.96Å; A240-F294 HydrophobicContact CB-CG 3.74Å; A240-F294 VanDerWaalsContact O-CB 3.28Å; A240-F294 WeakPolarHBondContact O-CB 3.41Å
241	H	96.1	Very high	96.5	Very high	113 Å²	113	53.7 Å²	53.7	52%	0.523	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-79.9	2.6	178.4	-64.6	93.5	0	0	0	113.1	A236 T238 A239 N291	A236-H241 HydrophobicContact CB-CB 4.04Å; A236-H241 WeakPolarHBondContact CB-O 3.39Å; T238-H241 PolarHBondContact O-N 2.91Å; T238-H241 PolarHBondContact OG1-ND1 2.98Å; A239-H241 VanDerWaalsContact C-N 3.28Å; A239-H241 PolarHBondContact O-N 3.28Å; H241-N291 WeakPolarHBondContact O-CB 3.19Å
242	G	97.4	Very high	96.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.01	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-107.2	5.9	177.7	0	0	0	0	0	114.1	V231 T232 N233 A239 A240	V231-G242 CarbonylContact C-O 3.18Å; V231-G242 WeakPolarHBondContact CA-O 3.23Å; T232-G242 PolarHBondContact N-O 2.78Å; T232-G242 PolarHBondContact OG1-O 3.25Å; N233-G242 PolarHBondContact N-O 3.34Å; N233-G242 VanDerWaalsContact N-O 3.1Å; N233-G242 WeakPolarHBondContact O-CA 3.36Å; A239-G242 PolarHBondContact O-N 3.14Å; A240-G242 PolarHBondContact O-N 3.44Å
243	I	98.4	Very high	96.5	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.8	-170.1	-68.5	170.6	0	0	0	111.3	V197 V229 T230 N291 K292 G293 F294	V197-I243 HydrophobicContact CG2-CD1 4.25Å; V229-I243 HydrophobicContact CG1-CG2 3.62Å; T230-I243 CarbonylContact O-C 3.56Å; T230-I243 VanDerWaalsContact O-CA 3.28Å; T230-I243 WeakPolarHBondContact O-CA 3.48Å; I243-N291 CarbonylContact O-C 3.46Å; I243-N291 WeakPolarHBondContact O-CA 3.34Å; I243-K292 PolarHBondContact O-N 2.99Å; I243-G293 WeakPolarHBondContact O-CA 3.37Å; I243-G293 PolarHBondContact O-N 2.93Å; I243-F294 HydrophobicContact CB-CB 4.21Å; I243-F294 HydrophobicContact CD1-CB 4.33Å; I243-F294 HydrophobicContact CD1-CD2 3.8Å; I243-F294 HydrophobicContact CD1-CG 4.44Å; I243-F294 HydrophobicContact CG2-CB 4.41Å
244	S	98.8	Very high	96.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	161.2	172.4	-58	0	0	0	0	111.6	T230 T232 N291	T230-S244 PolarHBondContact N-O 3.49Å; T230-S244 PolarHBondContact O-N 3.27Å; T230-S244 PolarHBondContact OG1-O 2.9Å; T232-S244 WeakPolarHBondContact OG1-CB 3.2Å; T232-S244 PolarHBondContact OG1-OG 2.9Å; S244-N291 PolarHBondContact OG-N 3.05Å
245	L	98.9	Very high	96.9	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.6	174.9	-55.4	-176.3	0	0	0	109.8	Y157 V227 V228 V229 L287 Y296 L297	Y157-L245 HydrophobicContact CD1-CD1 3.88Å; Y157-L245 HydrophobicContact CE1-CD1 4.25Å; V227-L245 HydrophobicContact CG1-CB 4.22Å; V227-L245 HydrophobicContact CG1-CD1 4.15Å; V227-L245 HydrophobicContact CG1-CD2 4.47Å; V228-L245 WeakPolarHBondContact O-CA 3.49Å; V229-L245 HydrophobicContact CB-CD2 4.32Å; V229-L245 HydrophobicContact CG2-CD2 3.77Å; L245-L287 HydrophobicContact CB-CB 4.01Å; L245-L287 HydrophobicContact CB-CD2 4.31Å; L245-L287 HydrophobicContact CD1-CD2 4.36Å; L245-L287 PolarHBondContact O-N 3.07Å; L245-Y296 HydrophobicContact CD1-CD2 4.1Å; L245-L297 HydrophobicContact CD2-CD1 4.45Å; L245-L297 HydrophobicContact CD2-CD2 4.33Å; L245-L297 HydrophobicContact CD2-CG 4.36Å
246	F	98.9	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.6	172.2	-72.8	-93	0	0	0	110.8	A201 W208 V227 V228 T230 T232 V248 L281 A285 L286	A201-F246 HydrophobicContact CB-CD2 4.23Å; A201-F246 HydrophobicContact CB-CE2 3.6Å; A201-F246 HydrophobicContact CB-CZ 3.97Å; W208-F246 HydrophobicContact CB-CE1 4.23Å; W208-F246 HydrophobicContact CB-CZ 4.39Å; W208-F246 AromaticContact CD1-CE1 3.63Å; W208-F246 HydrophobicContact CD2-CE1 4.1Å; W208-F246 AromaticContact CD2-CZ 3.71Å; W208-F246 HydrophobicContact CD2-CZ 3.71Å; W208-F246 AromaticContact CE2-CZ 3.95Å; W208-F246 HydrophobicContact CE3-CZ 4.12Å; W208-F246 AromaticContact CG-CE1 3.73Å; W208-F246 HydrophobicContact CG-CE1 3.73Å; W208-F246 AromaticContact CG-CZ 3.8Å; W208-F246 HydrophobicContact CG-CZ 3.8Å; W208-F246 AromaticContact NE1-CE1 3.93Å; V227-F246 CarbonylContact C-O 3.19Å; V227-F246 WeakPolarHBondContact CA-O 3.4Å; V228-F246 PolarHBondContact N-O 3.42Å; V228-F246 PolarHBondContact O-N 3.47Å; T230-F246 HydrophobicContact CG2-CD2 3.96Å; T230-F246 VanDerWaalsContact OG1-CD2 3.25Å; T230-F246 WeakPolarHBondContact OG1-CD2 3.42Å; T230-F246 WeakPolarHBondContact OG1-CE2 3.31Å; T232-F246 HydrophobicContact CG2-CE2 3.69Å; T232-F246 HydrophobicContact CG2-CZ 4.14Å; F246-V248 HydrophobicContact CB-CG2 4.42Å; F246-L281 HydrophobicContact CB-CD1 3.95Å; F246-L281 HydrophobicContact CD1-CD1 3.78Å; F246-L281 HydrophobicContact CE1-CD1 4.48Å; F246-L281 HydrophobicContact CG-CD1 3.91Å; F246-A285 CarbonylContact C-O 3.59Å; F246-A285 VanDerWaalsContact CA-O 3.32Å; F246-A285 WeakPolarHBondContact CA-O 3.2Å; F246-A285 HydrophobicContact CD1-CB 4.19Å; F246-L286 HydrophobicContact CD1-CB 4.3Å; F246-L286 HydrophobicContact CD1-CD1 4.49Å; F246-L286 HydrophobicContact CE1-CB 3.94Å; F246-L286 HydrophobicContact CE1-CD1 3.96Å; F246-L286 HydrophobicContact CE2-CD1 4.07Å; F246-L286 HydrophobicContact CZ-CD1 3.73Å
247	L	98.9	Very high	97.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.8	166.5	-62.5	177.5	0	0	0	108.9	I158 Q166 F170 V225 V226 V227 A285 L287	I158-L247 HydrophobicContact CD1-CD2 4.12Å; I158-L247 HydrophobicContact CG1-CD2 3.99Å; Q166-L247 HydrophobicContact CB-CD1 4.31Å; Q166-L247 HydrophobicContact CG-CD1 4Å; F170-L247 HydrophobicContact CD2-CD1 3.8Å; F170-L247 HydrophobicContact CE2-CD1 3.56Å; F170-L247 HydrophobicContact CZ-CD1 4.42Å; V225-L247 HydrophobicContact CG2-CB 4.3Å; V225-L247 HydrophobicContact CG2-CD2 4.1Å; V226-L247 WeakPolarHBondContact O-CA 3.45Å; V227-L247 HydrophobicContact CG2-CD2 3.73Å; L247-A285 PolarHBondContact N-O 3.42Å; L247-L287 HydrophobicContact CD1-CD1 4.43Å; L247-L287 HydrophobicContact CD2-CD2 4.11Å; L247-L287 HydrophobicContact CG-CB 4.31Å
248	V	98.8	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.4	178.4	-173.5	0	0	0	0	108.8	L210 V226 V228 F246 M252 F255 F276 V279 L281	L210-V248 HydrophobicContact CD2-CG2 3.75Å; V226-V248 PolarHBondContact N-O 2.95Å; V226-V248 PolarHBondContact O-N 3.28Å; V228-V248 HydrophobicContact CB-CG2 4.18Å; V228-V248 HydrophobicContact CG2-CB 3.97Å; V228-V248 HydrophobicContact CG2-CG2 3.52Å; F246-V248 HydrophobicContact CB-CG2 4.42Å; V248-M252 HydrophobicContact CG1-SD 4.09Å; V248-F255 HydrophobicContact CG1-CB 4.26Å; V248-F255 HydrophobicContact CG1-CD1 3.79Å; V248-F255 HydrophobicContact CG1-CE1 4.26Å; V248-F255 HydrophobicContact CG1-CG 3.95Å; V248-F276 HydrophobicContact CB-CE1 4.44Å; V248-F276 HydrophobicContact CG1-CD1 4.4Å; V248-F276 HydrophobicContact CG1-CE1 4.05Å; V248-F276 HydrophobicContact CG2-CE1 4.46Å; V248-V279 HydrophobicContact CG1-CG1 4.42Å; V248-L281 HydrophobicContact CG1-CD2 4.42Å; V248-L281 HydrophobicContact CG2-CD1 4.23Å; V248-L281 HydrophobicContact CG2-CD2 4.02Å
249	E	98.6	Very high	97.4	Very high	36 Å²	36	46.9 Å²	46.9	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	143.5	-174.5	-60.8	177.1	-105	0	0	111.4	R169 F170 D224 G251 M252 F255	R169-E249 IonicContact CZ-OE1 2.97Å; R169-E249 IonicContact CZ-OE2 3.16Å; R169-E249 IonicContact NH1-OE1 3.64Å; R169-E249 PolarHBondContact NH1-OE1 3.46Å; R169-E249 IonicContact NH1-OE2 3.94Å; R169-E249 IonicContact NH2-OE1 3.37Å; R169-E249 PolarHBondContact NH2-OE1 2.89Å; R169-E249 IonicContact NH2-OE2 2.86Å; R169-E249 PolarHBondContact NH2-OE2 2.9Å; F170-E249 HydrophobicContact CE1-CG 3.94Å; F170-E249 HydrophobicContact CZ-CG 4.02Å; D224-E249 CarbonylContact O-C 3.59Å; D224-E249 WeakPolarHBondContact O-CA 3.4Å; E249-G251 PolarHBondContact O-N 3.39Å; E249-M252 HydrophobicContact CB-CE 4.01Å; E249-M252 HydrophobicContact CB-CG 4.33Å; E249-M252 HydrophobicContact CB-SD 4.33Å; E249-M252 HydrophobicContact CG-CE 4.12Å; E249-M252 WeakPolarHBondContact O-CB 3.3Å; E249-M252 WeakPolarHBondContact O-CG 3.37Å; E249-M252 PolarHBondContact O-N 3.04Å; E249-F255 WeakPolarHBondContact O-CD1 3.41Å
250	N	97.9	Very high	97.5	Very high	80 Å²	80	47.5 Å²	47.5	43%	0.428	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.5	172.7	-177.5	52	0	0	0	110.7	D224 K257	D224-N250 PolarHBondContact O-N 2.78Å; N250-K257 WeakPolarHBondContact OD1-CE 3.4Å; N250-K257 PolarHBondContact OD1-NZ 2.84Å
251	G	97.4	Very high	97.6	Very high	68 Å²	68	48.1 Å²	48.1	70%	0.701	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-7.7	-177.6	0	0	0	0	0	115.1	E249 K253	E249-G251 PolarHBondContact O-N 3.39Å; G251-K253 PolarHBondContact O-N 3.47Å
252	M	98.4	Very high	97.5	Very high	40 Å²	40	52.3 Å²	52.3	20%	0.197	26%	0.264	C	S	.	.			trans	-59.9	132.7	168.3	-74.2	-177.3	169.5	0	0	110.7	V248 E249 G254 F255 V279 L281	V248-M252 HydrophobicContact CG1-SD 4.09Å; E249-M252 HydrophobicContact CB-CE 4.01Å; E249-M252 HydrophobicContact CB-CG 4.33Å; E249-M252 HydrophobicContact CB-SD 4.33Å; E249-M252 HydrophobicContact CG-CE 4.12Å; E249-M252 WeakPolarHBondContact O-CB 3.3Å; E249-M252 WeakPolarHBondContact O-CG 3.37Å; E249-M252 PolarHBondContact O-N 3.04Å; M252-G254 PolarHBondContact O-N 3.24Å; M252-F255 HydrophobicContact CB-CB 4.38Å; M252-F255 WeakPolarHBondContact O-CB 3.27Å; M252-F255 PolarHBondContact O-N 3.07Å; M252-V279 HydrophobicContact CB-CG1 4.29Å; M252-L281 HydrophobicContact CE-CD2 4.39Å; M252-L281 HydrophobicContact SD-CD2 3.7Å
253	K	98.6	Very high	97.3	Very high	197 Å²	197	55 Å²	55	86%	0.857	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.2	179.2	-176.4	179.8	176.5	-176.1	0	110.1	G251 F255	G251-K253 PolarHBondContact O-N 3.47Å; K253-F255 VanDerWaalsContact C-N 3.32Å
254	G	98.4	Very high	97	Very high	18 Å²	18	61.2 Å²	61.2	19%	0.186	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-14	-178.3	0	0	0	0	0	114.5	M252 E277 V279	M252-G254 PolarHBondContact O-N 3.24Å; G254-E277 WeakPolarHBondContact CA-O 3.41Å; G254-E277 PolarHBondContact O-N 3.42Å; G254-V279 WeakPolarHBondContact O-CG2 3.38Å
255	F	98.8	Very high	96.6	Very high	16 Å²	16	61.5 Å²	61.5	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.8	174.4	173.9	-143	0	0	0	109.4	V226 V248 E249 M252 K253 K257 L274 F276 V279	V226-F255 HydrophobicContact CG2-CE1 4.38Å; V226-F255 HydrophobicContact CG2-CZ 3.99Å; V248-F255 HydrophobicContact CG1-CB 4.26Å; V248-F255 HydrophobicContact CG1-CD1 3.79Å; V248-F255 HydrophobicContact CG1-CE1 4.26Å; V248-F255 HydrophobicContact CG1-CG 3.95Å; E249-F255 WeakPolarHBondContact O-CD1 3.41Å; M252-F255 HydrophobicContact CB-CB 4.38Å; M252-F255 WeakPolarHBondContact O-CB 3.27Å; M252-F255 PolarHBondContact O-N 3.07Å; K253-F255 VanDerWaalsContact C-N 3.32Å; F255-K257 HydrophobicContact CZ-CG 4.44Å; F255-L274 HydrophobicContact CE2-CB 4.11Å; F255-L274 HydrophobicContact CE2-CD1 4.32Å; F255-L274 HydrophobicContact CE2-CD2 3.99Å; F255-L274 HydrophobicContact CE2-CG 4.37Å; F255-L274 HydrophobicContact CZ-CD1 4.43Å; F255-L274 HydrophobicContact CZ-CD2 4.14Å; F255-F276 HydrophobicContact CB-CD1 4.46Å; F255-F276 AromaticContact CD2-CD1 3.65Å; F255-F276 HydrophobicContact CD2-CD1 3.65Å; F255-F276 AromaticContact CD2-CE1 3.38Å; F255-F276 HydrophobicContact CD2-CE1 3.38Å; F255-F276 HydrophobicContact CD2-CZ 4.2Å; F255-F276 HydrophobicContact CE2-CD1 4.29Å; F255-F276 AromaticContact CE2-CE1 3.57Å; F255-F276 HydrophobicContact CE2-CE1 3.57Å; F255-F276 HydrophobicContact CE2-CZ 4.01Å; F255-F276 HydrophobicContact CG-CD1 4.28Å; F255-F276 HydrophobicContact CG-CE1 4.15Å; F255-F276 HydrophobicContact CZ-CE1 4.42Å; F255-V279 HydrophobicContact CB-CG2 4.01Å
256	Q	98.2	Very high	96.3	Very high	111 Å²	111	62.2 Å²	62.2	52%	0.519	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.8	-178.8	-58.7	-176.4	34.8	0	0	110.7	F275	Q256-F275 HydrophobicContact CB-CB 4.44Å; Q256-F275 PolarHBondContact N-O 3.46Å; Q256-F275 PolarHBondContact O-N 2.97Å
257	K	97.8	Very high	96.1	Very high	48 Å²	48	65.2 Å²	65.2	21%	0.209	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.2	167	-62.4	167.2	176.8	178	0	107.4	G220 W221 A223 N250 F255 L274	G220-K257 WeakPolarHBondContact O-CD 3.35Å; G220-K257 WeakPolarHBondContact O-CE 3.46Å; W221-K257 HydrophobicContact CE3-CB 4.03Å; W221-K257 HydrophobicContact CZ3-CB 4.2Å; W221-K257 VanDerWaalsContact O-CD 3.31Å; W221-K257 WeakPolarHBondContact O-CD 3.35Å; W221-K257 WeakPolarHBondContact O-CE 3.46Å; W221-K257 PolarHBondContact O-NZ 3Å; A223-K257 VanDerWaalsContact O-CE 3.23Å; A223-K257 WeakPolarHBondContact O-CE 3.38Å; A223-K257 PolarHBondContact O-NZ 3.04Å; N250-K257 WeakPolarHBondContact OD1-CE 3.4Å; N250-K257 PolarHBondContact OD1-NZ 2.84Å; F255-K257 HydrophobicContact CZ-CG 4.44Å; K257-L274 HydrophobicContact CB-CD2 4.44Å; K257-L274 HydrophobicContact CG-CD2 3.96Å
258	G	94.7	Very high	95.9	Very high	18 Å²	18	65.1 Å²	65.1	19%	0.186	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-148	175.4	0	0	0	0	0	111.9	W221 E273	W221-G258 WeakPolarHBondContact CZ3-O 3.27Å; G258-E273 WeakPolarHBondContact CA-O 3.22Å; G258-E273 PolarHBondContact N-O 2.68Å
259	R	94.1	Very high	95.8	Very high	164 Å²	164	66.3 Å²	66.3	62%	0.619	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	156.1	176.4	65.7	-176.1	172.1	160.2	2.4	112	L261 A272 E273	R259-L261 HydrophobicContact CG-CD2 4.15Å; R259-A272 WeakPolarHBondContact O-CA 3.25Å; R259-E273 WeakPolarHBondContact CG-OE2 3.42Å; R259-E273 IonicContact NE-OE1 3.24Å; R259-E273 IonicContact NE-OE2 3.57Å; R259-E273 IonicContact NH2-OE1 2.83Å; R259-E273 PolarHBondContact O-N 2.6Å
260	K	95.3	Very high	95.7	Very high	69 Å²	69	64.7 Å²	64.7	30%	0.3	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131	156.8	-72	-172.5	-72	-173.4	0	109.1	A95 W221 D270 T271	A95-K260 PolarHBondContact O-NZ 3.27Å; W221-K260 HydrophobicContact CB-CD 4.22Å; W221-K260 HydrophobicContact CB-CG 3.87Å; W221-K260 HydrophobicContact CD2-CD 4.13Å; W221-K260 HydrophobicContact CD2-CG 3.76Å; W221-K260 HydrophobicContact CE3-CG 4.18Å; W221-K260 HydrophobicContact CG-CD 3.74Å; W221-K260 HydrophobicContact CG-CG 3.61Å; K260-D270 HydrophobicContact CD-CB 4.28Å; K260-T271 WeakPolarHBondContact CA-O 3.48Å
261	L	96.3	Very high	95.7	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.147	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-83.7	138	-179	-62.2	176.3	0	0	0	110.7	V215 F216 R259 T271 E273	V215-L261 HydrophobicContact CG2-CD1 4Å; F216-L261 HydrophobicContact CD1-CD1 3.5Å; F216-L261 VanDerWaalsContact CD1-CD1 3.5Å; F216-L261 HydrophobicContact CE1-CD1 3.84Å; R259-L261 HydrophobicContact CG-CD2 4.15Å; L261-T271 HydrophobicContact CD1-CG2 4.26Å; L261-T271 PolarHBondContact N-O 3.28Å; L261-E273 HydrophobicContact CD2-CG 4.22Å
262	E	94.3	Very high	95.7	Very high	200 Å²	200	58.2 Å²	58.2	94%	0.935	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-78.2	126	175.9	-63	-176.2	150.2	0	0	110
263	K	93.2	Very high	95.7	Very high	58 Å²	58	58.3 Å²	58.3	25%	0.252	28%	0.275	S	S	.	.			trans	-121.4	145.4	-174.3	-60.9	-179.2	-65.9	-177.5	0	111.3	G265 L266 Q269 T271	K263-G265 WeakPolarHBondContact CB-O 3.2Å; K263-G265 PolarHBondContact O-N 2.77Å; K263-L266 VanDerWaalsContact CE-O 3.25Å; K263-L266 WeakPolarHBondContact CE-O 3.49Å; K263-L266 PolarHBondContact NZ-O 2.75Å; K263-Q269 WeakPolarHBondContact CE-O 3.39Å; K263-Q269 PolarHBondContact NZ-O 3.24Å; K263-T271 PolarHBondContact NZ-OG1 2.82Å
264	I	91.3	Very high	95.7	Very high	131 Å²	131	48.9 Å²	48.9	67%	0.672	23%	0.234	S	C	*	.	S	Bend	trans	-63.1	-27.8	170.4	61.2	177.1	0	0	0	112.1	R415	I264-R415 HydrophobicContact CD1-CB 3.64Å; I264-R415 HydrophobicContact CD1-CG 3.58Å
265	G	90.6	Very high	95.7	Very high	7 Å²	7	52.1 Å²	52.1	7%	0.072	24%	0.243	C	C	.	.	S	Bend	trans	-149.3	175	-173.5	0	0	0	0	0	113.3	K263 K267 N413	K263-G265 WeakPolarHBondContact CB-O 3.2Å; K263-G265 PolarHBondContact O-N 2.77Å; G265-K267 PolarHBondContact O-N 3.16Å; G265-N413 WeakPolarHBondContact CA-OD1 3.34Å
266	L	92.6	Very high	95.7	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	24%	0.241	C	C	.	.			trans	49.1	43.1	-171.5	-46	-176.7	0	0	0	112.6	T143 K263 A268 Q269 N413 V416	T143-L266 HydrophobicContact CG2-CD2 3.54Å; K263-L266 VanDerWaalsContact CE-O 3.25Å; K263-L266 WeakPolarHBondContact CE-O 3.49Å; K263-L266 PolarHBondContact NZ-O 2.75Å; L266-A268 VanDerWaalsContact C-N 3.29Å; L266-A268 PolarHBondContact O-N 3.03Å; L266-Q269 HydrophobicContact CB-CB 4.37Å; L266-Q269 PolarHBondContact O-N 2.77Å; L266-Q269 VanDerWaalsContact O-N 3.08Å; L266-N413 PolarHBondContact N-OD1 3.37Å; L266-V416 HydrophobicContact CD1-CG1 3.59Å; L266-V416 HydrophobicContact CD2-CG1 4.44Å; L266-V416 HydrophobicContact CG-CG1 3.87Å
267	K	93.9	Very high	95.8	Very high	63 Å²	63	52.5 Å²	52.5	27%	0.274	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.2	-167.4	-67.7	178.1	178.5	173	0	113.2	E93 G96 G265 Q269	E93-K267 HydrophobicContact CB-CB 3.95Å; E93-K267 HydrophobicContact CG-CB 4.06Å; G96-K267 CarbonylContact C-O 3.56Å; G96-K267 WeakPolarHBondContact CA-O 3.46Å; G265-K267 PolarHBondContact O-N 3.16Å; K267-Q269 VanDerWaalsContact C-N 3.27Å; K267-Q269 PolarHBondContact O-N 3.26Å
268	A	95	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.6	178.4	0	0	0	0	0	114.2	W92 E93 Q97 V98 G144 L266	W92-A268 HydrophobicContact CB-CB 3.73Å; E93-A268 HydrophobicContact CG-CB 3.88Å; Q97-A268 CarbonylContact C-O 3.59Å; Q97-A268 WeakPolarHBondContact CA-O 3.22Å; V98-A268 PolarHBondContact N-O 2.86Å; V98-A268 VanDerWaalsContact N-O 3.16Å; G144-A268 VanDerWaalsContact CA-C 3.48Å; L266-A268 VanDerWaalsContact C-N 3.29Å; L266-A268 PolarHBondContact O-N 3.03Å
269	Q	95.8	Very high	96	Very high	25 Å²	25	54.4 Å²	54.4	12%	0.117	25%	0.253	C	S	.	.	S	Bend	trans	-95.4	128.4	174.7	-175.9	179	83.6	0	0	108.1	G144 K263 L266 K267	G144-Q269 WeakPolarHBondContact O-CA 3.29Å; G144-Q269 WeakPolarHBondContact O-CB 3.46Å; K263-Q269 WeakPolarHBondContact CE-O 3.39Å; K263-Q269 PolarHBondContact NZ-O 3.24Å; L266-Q269 HydrophobicContact CB-CB 4.37Å; L266-Q269 PolarHBondContact O-N 2.77Å; L266-Q269 VanDerWaalsContact O-N 3.08Å; K267-Q269 VanDerWaalsContact C-N 3.27Å; K267-Q269 PolarHBondContact O-N 3.26Å
270	D	97.3	Very high	96.2	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	25%	0.247	C	C	.	.			trans	-74	146.5	177.3	68.5	-76.8	0	0	0	111.5	G96 Q97 S218 N219 G220 W221 M222 K260	G96-D270 WeakPolarHBondContact O-CA 3.3Å; Q97-D270 HydrophobicContact CB-CB 4.04Å; S218-D270 WeakPolarHBondContact CA-O 3.49Å; N219-D270 WeakPolarHBondContact CA-OD1 3.42Å; N219-D270 WeakPolarHBondContact CA-OD2 3.38Å; N219-D270 PolarHBondContact N-O 3.49Å; N219-D270 VanDerWaalsContact N-O 3.11Å; G220-D270 PolarHBondContact N-OD2 3.46Å; G220-D270 VanDerWaalsContact N-OD2 3.14Å; W221-D270 WeakPolarHBondContact CA-OD2 3.41Å; W221-D270 HydrophobicContact CB-CB 3.84Å; W221-D270 WeakPolarHBondContact CB-OD2 3.45Å; W221-D270 PolarHBondContact N-OD2 3.4Å; M222-D270 PolarHBondContact N-OD2 2.79Å; K260-D270 HydrophobicContact CD-CB 4.28Å
271	T	97.8	Very high	96.4	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	122.7	174.8	-55.8	0	0	0	0	107.6	F216 I217 K260 L261 K263	F216-T271 VanDerWaalsContact C-CG2 3.49Å; F216-T271 HydrophobicContact CB-CG2 4.39Å; I217-T271 WeakPolarHBondContact O-CA 3.34Å; K260-T271 WeakPolarHBondContact CA-O 3.48Å; L261-T271 HydrophobicContact CD1-CG2 4.26Å; L261-T271 PolarHBondContact N-O 3.28Å; K263-T271 PolarHBondContact NZ-OG1 2.82Å
272	A	98.1	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159.3	-168.6	0	0	0	0	0	113.6	F216 I217 W221 R259	F216-A272 PolarHBondContact N-O 2.81Å; I217-A272 PolarHBondContact N-O 2.71Å; I217-A272 PolarHBondContact O-N 2.92Å; W221-A272 HydrophobicContact CB-CB 4.15Å; R259-A272 WeakPolarHBondContact O-CA 3.25Å
273	E	98.3	Very high	96.6	Very high	42 Å²	42	43.6 Å²	43.6	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	143.7	157	-69.8	162.9	163.1	0	0	109.1	K214 V215 G258 R259 L261 F275	K214-E273 CarbonylContact O-C 3.34Å; K214-E273 WeakPolarHBondContact O-CA 3.45Å; V215-E273 HydrophobicContact CB-CG 4.42Å; V215-E273 HydrophobicContact CG2-CG 3.87Å; G258-E273 WeakPolarHBondContact CA-O 3.22Å; G258-E273 PolarHBondContact N-O 2.68Å; R259-E273 WeakPolarHBondContact CG-OE2 3.42Å; R259-E273 IonicContact NE-OE1 3.24Å; R259-E273 IonicContact NE-OE2 3.57Å; R259-E273 IonicContact NH2-OE1 2.83Å; R259-E273 PolarHBondContact O-N 2.6Å; L261-E273 HydrophobicContact CD2-CG 4.22Å; E273-F275 HydrophobicContact CB-CE2 3.8Å; E273-F275 HydrophobicContact CB-CZ 4.03Å
274	L	98.7	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.2	174.1	-58.5	-176.3	0	0	0	108.9	A184 N213 K214 I217 V226 F255 K257 F276	A184-L274 HydrophobicContact CB-CD1 3.97Å; N213-L274 CarbonylContact C-O 3.16Å; N213-L274 WeakPolarHBondContact CA-O 3.28Å; K214-L274 HydrophobicContact CB-CB 4.24Å; K214-L274 PolarHBondContact N-O 2.78Å; K214-L274 PolarHBondContact O-N 2.73Å; I217-L274 HydrophobicContact CB-CD1 4.14Å; I217-L274 HydrophobicContact CB-CG 4.28Å; I217-L274 HydrophobicContact CG1-CD1 3.96Å; I217-L274 HydrophobicContact CG1-CG 4.08Å; I217-L274 HydrophobicContact CG2-CD1 3.92Å; V226-L274 HydrophobicContact CG1-CD1 3.97Å; V226-L274 HydrophobicContact CG2-CD1 4.3Å; F255-L274 HydrophobicContact CE2-CB 4.11Å; F255-L274 HydrophobicContact CE2-CD1 4.32Å; F255-L274 HydrophobicContact CE2-CD2 3.99Å; F255-L274 HydrophobicContact CE2-CG 4.37Å; F255-L274 HydrophobicContact CZ-CD1 4.43Å; F255-L274 HydrophobicContact CZ-CD2 4.14Å; K257-L274 HydrophobicContact CB-CD2 4.44Å; K257-L274 HydrophobicContact CG-CD2 3.96Å; L274-F276 HydrophobicContact CB-CE2 4.06Å; L274-F276 HydrophobicContact CB-CZ 3.96Å; L274-F276 HydrophobicContact CD1-CZ 4.34Å
275	F	98.7	Very high	97.2	Very high	85 Å²	85	39 Å²	39	37%	0.373	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.6	-179.4	-60.9	-81.3	0	0	0	110.2	N213 Q256 E273	N213-F275 HydrophobicContact CB-CD1 3.68Å; N213-F275 HydrophobicContact CB-CE1 4.01Å; Q256-F275 HydrophobicContact CB-CB 4.44Å; Q256-F275 PolarHBondContact N-O 3.46Å; Q256-F275 PolarHBondContact O-N 2.97Å; E273-F275 HydrophobicContact CB-CE2 3.8Å; E273-F275 HydrophobicContact CB-CZ 4.03Å
276	F	98.8	Very high	97.6	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112.3	178.8	-48.2	-85.8	0	0	0	108	T199 L210 N211 G212 K214 V228 V248 F255 L274 V279	T199-F276 HydrophobicContact CG2-CD2 4.47Å; L210-F276 HydrophobicContact CD2-CB 4.18Å; L210-F276 HydrophobicContact CD2-CD1 3.57Å; L210-F276 HydrophobicContact CD2-CE1 4.07Å; L210-F276 HydrophobicContact CD2-CG 3.84Å; L210-F276 HydrophobicContact CG-CB 3.88Å; L210-F276 HydrophobicContact CG-CD1 4.24Å; L210-F276 HydrophobicContact CG-CG 4.04Å; N211-F276 WeakPolarHBondContact CA-O 3.49Å; G212-F276 PolarHBondContact N-O 3.37Å; G212-F276 PolarHBondContact O-N 3.05Å; K214-F276 HydrophobicContact CB-CE2 4.48Å; K214-F276 HydrophobicContact CG-CE2 3.83Å; V228-F276 HydrophobicContact CG1-CE2 4.21Å; V228-F276 HydrophobicContact CG1-CZ 4.06Å; V228-F276 HydrophobicContact CG2-CE1 4.04Å; V228-F276 HydrophobicContact CG2-CZ 3.78Å; V248-F276 HydrophobicContact CB-CE1 4.44Å; V248-F276 HydrophobicContact CG1-CD1 4.4Å; V248-F276 HydrophobicContact CG1-CE1 4.05Å; V248-F276 HydrophobicContact CG2-CE1 4.46Å; F255-F276 HydrophobicContact CB-CD1 4.46Å; F255-F276 AromaticContact CD2-CD1 3.65Å; F255-F276 HydrophobicContact CD2-CD1 3.65Å; F255-F276 AromaticContact CD2-CE1 3.38Å; F255-F276 HydrophobicContact CD2-CE1 3.38Å; F255-F276 HydrophobicContact CD2-CZ 4.2Å; F255-F276 HydrophobicContact CE2-CD1 4.29Å; F255-F276 AromaticContact CE2-CE1 3.57Å; F255-F276 HydrophobicContact CE2-CE1 3.57Å; F255-F276 HydrophobicContact CE2-CZ 4.01Å; F255-F276 HydrophobicContact CG-CD1 4.28Å; F255-F276 HydrophobicContact CG-CE1 4.15Å; F255-F276 HydrophobicContact CZ-CE1 4.42Å; L274-F276 HydrophobicContact CB-CE2 4.06Å; L274-F276 HydrophobicContact CB-CZ 3.96Å; L274-F276 HydrophobicContact CD1-CZ 4.34Å; F276-V279 HydrophobicContact CB-CG2 3.93Å; F276-V279 HydrophobicContact CD1-CG2 4.25Å
277	E	98.6	Very high	97.9	Very high	129 Å²	129	39.5 Å²	39.5	60%	0.603	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	104.9	178.6	-175	177.6	-167.9	0	0	108.8	G254 V279	G254-E277 WeakPolarHBondContact CA-O 3.41Å; G254-E277 PolarHBondContact O-N 3.42Å; E277-V279 PolarHBondContact O-N 3.27Å
278	D	98.6	Very high	98.1	Very high	106 Å²	106	37.7 Å²	37.7	57%	0.567	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	47.7	43.1	-177	-66.1	-37.3	0	0	0	114.4	I209 N211 R280	I209-D278 HydrophobicContact CG2-CB 4.06Å; I209-D278 WeakPolarHBondContact CG2-OD1 3.45Å; N211-D278 PolarHBondContact ND2-OD1 3.33Å; N211-D278 PolarHBondContact OD1-N 3.35Å; N211-D278 PolarHBondContact OD1-OD1 2.91Å; D278-R280 PolarHBondContact O-N 2.96Å; D278-R280 VanDerWaalsContact O-N 3.14Å
279	V	98.8	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	113.8	177.9	-178.8	0	0	0	0	109	I209 L210 V248 M252 G254 F255 F276 E277 L281	I209-V279 WeakPolarHBondContact CA-O 3.16Å; L210-V279 HydrophobicContact CB-CB 4.16Å; L210-V279 PolarHBondContact N-O 3.35Å; L210-V279 PolarHBondContact O-N 3.45Å; V248-V279 HydrophobicContact CG1-CG1 4.42Å; M252-V279 HydrophobicContact CB-CG1 4.29Å; G254-V279 WeakPolarHBondContact O-CG2 3.38Å; F255-V279 HydrophobicContact CB-CG2 4.01Å; F276-V279 HydrophobicContact CB-CG2 3.93Å; F276-V279 HydrophobicContact CD1-CG2 4.25Å; E277-V279 PolarHBondContact O-N 3.27Å; V279-L281 HydrophobicContact CG1-CD2 3.88Å; V279-L281 HydrophobicContact CG1-CG 4.21Å; V279-L281 PolarHBondContact O-N 2.87Å
280	R	98.8	Very high	98.3	Very high	129 Å²	129	46 Å²	46	49%	0.487	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.7	175.5	-175.7	171.9	-69.1	-83.8	-3.8	110.2	D204 D207 W208 I209 D278	D204-R280 IonicContact OD2-CZ 2.78Å; D204-R280 VanDerWaalsContact OD2-CZ 3.31Å; D204-R280 IonicContact OD2-NH1 3.55Å; D204-R280 PolarHBondContact OD2-NH1 2.96Å; D204-R280 IonicContact OD2-NH2 3.45Å; D204-R280 PolarHBondContact OD2-NH2 2.97Å; D207-R280 HydrophobicContact CB-CG 4.25Å; D207-R280 WeakPolarHBondContact OD2-CD 3.39Å; D207-R280 IonicContact OD2-NH1 3.56Å; W208-R280 CarbonylContact O-C 3.6Å; W208-R280 WeakPolarHBondContact O-CA 3.38Å; I209-R280 HydrophobicContact CD1-CB 4.11Å; I209-R280 HydrophobicContact CD1-CG 4.21Å; D278-R280 PolarHBondContact O-N 2.96Å; D278-R280 VanDerWaalsContact O-N 3.14Å
281	L	98.6	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	178.9	-61.4	173.9	0	0	0	109.7	D207 W208 L210 F246 V248 M252 V279 A285	D207-L281 CarbonylContact C-O 3.57Å; D207-L281 WeakPolarHBondContact CA-O 3.14Å; D207-L281 WeakPolarHBondContact CB-O 3.46Å; W208-L281 HydrophobicContact CB-CB 4.25Å; W208-L281 PolarHBondContact N-O 3.47Å; W208-L281 PolarHBondContact O-N 3.03Å; L210-L281 HydrophobicContact CB-CD1 3.77Å; L210-L281 HydrophobicContact CB-CG 4.4Å; L210-L281 HydrophobicContact CD2-CD1 3.94Å; L210-L281 HydrophobicContact CG-CD1 4.46Å; F246-L281 HydrophobicContact CB-CD1 3.95Å; F246-L281 HydrophobicContact CD1-CD1 3.78Å; F246-L281 HydrophobicContact CE1-CD1 4.48Å; F246-L281 HydrophobicContact CG-CD1 3.91Å; V248-L281 HydrophobicContact CG1-CD2 4.42Å; V248-L281 HydrophobicContact CG2-CD1 4.23Å; V248-L281 HydrophobicContact CG2-CD2 4.02Å; M252-L281 HydrophobicContact CE-CD2 4.39Å; M252-L281 HydrophobicContact SD-CD2 3.7Å; V279-L281 HydrophobicContact CG1-CD2 3.88Å; V279-L281 HydrophobicContact CG1-CG 4.21Å; V279-L281 PolarHBondContact O-N 2.87Å; L281-A285 HydrophobicContact CB-CB 3.94Å; L281-A285 HydrophobicContact CD2-CB 4.32Å
282	P	98	Very high	98.4	Very high	51 Å²	51	52 Å²	52	33%	0.331	27%	0.273	S	S	.	.			trans	-64.3	160.4	172.3	29.3	-35.4	0	0	0	110.7	S284 A285	P282-S284 PolarHBondContact O-N 3.12Å; P282-S284 VanDerWaalsContact O-N 3.1Å; P282-A285 HydrophobicContact CG-CB 4.2Å; P282-A285 VanDerWaalsContact O-CB 3.26Å; P282-A285 WeakPolarHBondContact O-CB 3.41Å; P282-A285 PolarHBondContact O-N 2.98Å
283	A	97.4	Very high	98.4	Very high	55 Å²	55	52 Å²	52	46%	0.455	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-51.2	-36.4	174.4	0	0	0	0	0	113	S206 A285 L286	S206-A283 WeakPolarHBondContact O-CB 3.36Å; A283-A285 PolarHBondContact O-N 3.48Å; A283-L286 WeakPolarHBondContact O-CB 3.41Å; A283-L286 PolarHBondContact O-N 3.27Å
284	S	97.8	Very high	98.3	Very high	85 Å²	85	51.6 Å²	51.6	59%	0.594	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-70.1	-6.8	179	56.1	0	0	0	0	114.6	Q166 P282 L286	Q166-S284 PolarHBondContact NE2-O 3.4Å; P282-S284 PolarHBondContact O-N 3.12Å; P282-S284 VanDerWaalsContact O-N 3.1Å; S284-L286 VanDerWaalsContact C-N 3.33Å
285	A	98.5	Very high	98.3	Very high	7 Å²	7	58.3 Å²	58.3	6%	0.058	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-78.8	-17.6	172.2	0	0	0	0	0	112.6	F246 L247 L281 P282 A283 L287	F246-A285 CarbonylContact C-O 3.59Å; F246-A285 VanDerWaalsContact CA-O 3.32Å; F246-A285 WeakPolarHBondContact CA-O 3.2Å; F246-A285 HydrophobicContact CD1-CB 4.19Å; L247-A285 PolarHBondContact N-O 3.42Å; L281-A285 HydrophobicContact CB-CB 3.94Å; L281-A285 HydrophobicContact CD2-CB 4.32Å; P282-A285 HydrophobicContact CG-CB 4.2Å; P282-A285 VanDerWaalsContact O-CB 3.26Å; P282-A285 WeakPolarHBondContact O-CB 3.41Å; P282-A285 PolarHBondContact O-N 2.98Å; A283-A285 PolarHBondContact O-N 3.48Å; A285-L287 PolarHBondContact O-N 3.44Å
286	L	98.8	Very high	98.3	Very high	33 Å²	33	54.9 Å²	54.9	17%	0.173	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128	173.7	-178.3	71.1	0	0	0	109.3	Q166 F246 A283 S284 L290	Q166-L286 PolarHBondContact NE2-O 3.37Å; F246-L286 HydrophobicContact CD1-CB 4.3Å; F246-L286 HydrophobicContact CD1-CD1 4.49Å; F246-L286 HydrophobicContact CE1-CB 3.94Å; F246-L286 HydrophobicContact CE1-CD1 3.96Å; F246-L286 HydrophobicContact CE2-CD1 4.07Å; F246-L286 HydrophobicContact CZ-CD1 3.73Å; A283-L286 WeakPolarHBondContact O-CB 3.41Å; A283-L286 PolarHBondContact O-N 3.27Å; S284-L286 VanDerWaalsContact C-N 3.33Å; L286-L290 HydrophobicContact CD1-CD1 4.38Å; L286-L290 HydrophobicContact CD2-CB 4.11Å
287	L	98.8	Very high	98.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.1	176.6	179.3	62.9	0	0	0	109.7	V227 L245 L247 A285	V227-L287 HydrophobicContact CG1-CD2 4Å; V227-L287 HydrophobicContact CG2-CD2 4.21Å; L245-L287 HydrophobicContact CB-CB 4.01Å; L245-L287 HydrophobicContact CB-CD2 4.31Å; L245-L287 HydrophobicContact CD1-CD2 4.36Å; L245-L287 PolarHBondContact O-N 3.07Å; L247-L287 HydrophobicContact CD1-CD1 4.43Å; L247-L287 HydrophobicContact CD2-CD2 4.11Å; L247-L287 HydrophobicContact CG-CB 4.31Å; A285-L287 PolarHBondContact O-N 3.44Å
288	G	98.4	Very high	98	Very high	24 Å²	24	51.8 Å²	51.8	25%	0.247	27%	0.268	C	S	.	.	S	Bend	trans	69	-149.4	-172	0	0	0	0	0	112.9	Y161	Y161-G288 WeakPolarHBondContact O-CA 3.5Å; Y161-G288 PolarHBondContact O-N 3.32Å
289	E	98.3	Very high	97.8	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	26%	0.259	S	S	*	.	S	Bend	trans	-89.3	147	-177.4	-66.2	173.7	-140.9	0	0	112.6	N291 K292 Y296	E289-N291 PolarHBondContact O-N 3.2Å; E289-K292 HydrophobicContact CB-CB 4.08Å; E289-K292 HydrophobicContact CB-CG 3.62Å; E289-K292 PolarHBondContact O-N 2.95Å; E289-Y296 WeakPolarHBondContact CB-OH 3.11Å; E289-Y296 PolarHBondContact N-OH 2.8Å
290	L	98.3	Very high	97.7	Very high	78 Å²	78	51.1 Å²	51.1	41%	0.408	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	133.2	175.2	-175	70.1	0	0	0	110.3	W208 T232 L286 K292	W208-L290 HydrophobicContact CH2-CD1 3.48Å; W208-L290 VanDerWaalsContact CH2-CD1 3.48Å; W208-L290 HydrophobicContact CH2-CD2 4.24Å; W208-L290 HydrophobicContact CZ2-CD1 3.72Å; W208-L290 HydrophobicContact CZ3-CD1 4.41Å; T232-L290 HydrophobicContact CG2-CD1 4.07Å; L286-L290 HydrophobicContact CD1-CD1 4.38Å; L286-L290 HydrophobicContact CD2-CB 4.11Å; L290-K292 PolarHBondContact O-N 3.45Å
291	N	97.9	Very high	97.6	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	13.2	179.5	-60.7	-36.8	0	0	0	115.3	T232 H241 I243 S244 E289	T232-N291 PolarHBondContact OG1-OD1 2.7Å; H241-N291 WeakPolarHBondContact O-CB 3.19Å; I243-N291 CarbonylContact O-C 3.46Å; I243-N291 WeakPolarHBondContact O-CA 3.34Å; S244-N291 PolarHBondContact OG-N 3.05Å; E289-N291 PolarHBondContact O-N 3.2Å
292	K	98.1	Very high	97.5	Very high	101 Å²	101	46.1 Å²	46.1	44%	0.439	25%	0.248	S	C	.	.			trans	-100	1.5	173.2	-64.8	-62.2	-169.7	169.9	0	113.8	I243 E289 L290 F294 Y295 Y296	I243-K292 PolarHBondContact O-N 2.99Å; E289-K292 HydrophobicContact CB-CB 4.08Å; E289-K292 HydrophobicContact CB-CG 3.62Å; E289-K292 PolarHBondContact O-N 2.95Å; L290-K292 PolarHBondContact O-N 3.45Å; K292-F294 VanDerWaalsContact C-N 3.33Å; K292-F294 PolarHBondContact O-N 2.9Å; K292-Y295 WeakPolarHBondContact O-CB 3.23Å; K292-Y295 PolarHBondContact O-N 2.91Å; K292-Y296 HydrophobicContact CB-CD2 4.48Å; K292-Y296 HydrophobicContact CB-CE1 3.96Å; K292-Y296 HydrophobicContact CB-CE2 3.73Å; K292-Y296 VanDerWaalsContact CB-CZ 3.44Å; K292-Y296 WeakPolarHBondContact CB-OH 3.43Å; K292-Y296 PolarHBondContact O-N 2.93Å
293	G	98.1	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-41.8	-173.3	0	0	0	0	0	113.7	I243 Y295 Y296 L297	I243-G293 WeakPolarHBondContact O-CA 3.37Å; I243-G293 PolarHBondContact O-N 2.93Å; G293-Y295 VanDerWaalsContact C-N 3.3Å; G293-Y295 PolarHBondContact O-N 3.12Å; G293-Y296 PolarHBondContact O-N 2.76Å; G293-L297 WeakPolarHBondContact O-CG 3.42Å; G293-L297 PolarHBondContact O-N 3.39Å
294	F	97.2	Very high	97.5	Very high	32 Å²	32	43.7 Å²	43.7	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-33.8	178.1	-164.3	-95.9	0	0	0	112.9	L194 Q195 A240 I243 K292 L297 M298	L194-F294 HydrophobicContact CD2-CE2 4.47Å; L194-F294 HydrophobicContact CG-CE2 4.44Å; Q195-F294 HydrophobicContact CG-CD2 4.24Å; Q195-F294 HydrophobicContact CG-CE2 3.49Å; Q195-F294 VanDerWaalsContact CG-CE2 3.49Å; Q195-F294 HydrophobicContact CG-CZ 3.67Å; A240-F294 HydrophobicContact CB-CB 4.14Å; A240-F294 HydrophobicContact CB-CD1 3.52Å; A240-F294 HydrophobicContact CB-CD2 4.35Å; A240-F294 HydrophobicContact CB-CE1 3.96Å; A240-F294 HydrophobicContact CB-CG 3.74Å; A240-F294 VanDerWaalsContact O-CB 3.28Å; A240-F294 WeakPolarHBondContact O-CB 3.41Å; I243-F294 HydrophobicContact CB-CB 4.21Å; I243-F294 HydrophobicContact CD1-CB 4.33Å; I243-F294 HydrophobicContact CD1-CD2 3.8Å; I243-F294 HydrophobicContact CD1-CG 4.44Å; I243-F294 HydrophobicContact CG2-CB 4.41Å; K292-F294 VanDerWaalsContact C-N 3.33Å; K292-F294 PolarHBondContact O-N 2.9Å; F294-L297 PolarHBondContact O-N 3.43Å; F294-M298 HydrophobicContact CD1-CE 4.44Å; F294-M298 HydrophobicContact CD1-CG 3.96Å; F294-M298 HydrophobicContact CE1-CE 3.89Å; F294-M298 HydrophobicContact CE1-CG 3.72Å; F294-M298 HydrophobicContact CE1-SD 3.9Å; F294-M298 HydrophobicContact CE2-CE 3.96Å; F294-M298 HydrophobicContact CZ-CE 3.62Å; F294-M298 HydrophobicContact CZ-CG 4.41Å; F294-M298 HydrophobicContact CZ-SD 4.06Å; F294-M298 WeakPolarHBondContact O-CG 3.35Å; F294-M298 PolarHBondContact O-N 2.78Å
295	Y	97.4	Very high	97.6	Very high	141 Å²	141	40.5 Å²	40.5	55%	0.553	20%	0.197	S	C	*	.	H	α-helix	trans	-65.1	-44.7	175.6	173.8	-99.1	0	0	0	111	K292 G293 L297 M298 N299	K292-Y295 WeakPolarHBondContact O-CB 3.23Å; K292-Y295 PolarHBondContact O-N 2.91Å; G293-Y295 VanDerWaalsContact C-N 3.3Å; G293-Y295 PolarHBondContact O-N 3.12Å; Y295-L297 VanDerWaalsContact C-N 3.34Å; Y295-L297 PolarHBondContact O-N 2.95Å; Y295-M298 PolarHBondContact O-N 3.46Å; Y295-M298 VanDerWaalsContact O-N 3.17Å; Y295-N299 WeakPolarHBondContact CE1-ND2 3.47Å; Y295-N299 VanDerWaalsContact CZ-ND2 3.28Å; Y295-N299 PolarHBondContact O-N 3.28Å; Y295-N299 VanDerWaalsContact O-N 3.1Å; Y295-N299 PolarHBondContact OH-ND2 3.33Å
296	Y	98.3	Very high	97.6	Very high	14 Å²	14	40.1 Å²	40.1	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-44.6	174.8	-53.2	-31.5	0	0	0	111.6	Y161 L245 E289 K292 G293 M298 N299 E300	Y161-Y296 AromaticContact CD1-CD1 3.36Å; Y161-Y296 HydrophobicContact CD1-CD1 3.36Å; Y161-Y296 HydrophobicContact CD1-CD2 4.39Å; Y161-Y296 AromaticContact CD1-CE1 3.44Å; Y161-Y296 HydrophobicContact CD1-CE1 3.44Å; Y161-Y296 VanDerWaalsContact CD1-CE1 3.44Å; Y161-Y296 HydrophobicContact CD1-CE2 4.46Å; Y161-Y296 AromaticContact CD1-CG 3.87Å; Y161-Y296 HydrophobicContact CD1-CG 3.87Å; Y161-Y296 HydrophobicContact CD2-CD1 4.23Å; Y161-Y296 HydrophobicContact CD2-CD2 4.38Å; Y161-Y296 AromaticContact CD2-CG 3.95Å; Y161-Y296 HydrophobicContact CD2-CG 3.95Å; Y161-Y296 AromaticContact CE1-CD1 3.25Å; Y161-Y296 HydrophobicContact CE1-CD1 3.25Å; Y161-Y296 AromaticContact CE1-CE1 3.68Å; Y161-Y296 HydrophobicContact CE1-CE1 3.68Å; Y161-Y296 AromaticContact CE1-CG 3.95Å; Y161-Y296 HydrophobicContact CE1-CG 3.95Å; Y161-Y296 HydrophobicContact CE2-CD1 4.18Å; Y161-Y296 HydrophobicContact CE2-CG 4.05Å; Y161-Y296 AromaticContact CG-CD1 3.87Å; Y161-Y296 HydrophobicContact CG-CD1 3.87Å; Y161-Y296 HydrophobicContact CG-CD2 4.14Å; Y161-Y296 HydrophobicContact CG-CE1 4.13Å; Y161-Y296 HydrophobicContact CG-CE2 4.39Å; Y161-Y296 AromaticContact CG-CG 3.88Å; Y161-Y296 HydrophobicContact CG-CG 3.88Å; Y161-Y296 AromaticContact CZ-CD1 3.71Å; L245-Y296 HydrophobicContact CD1-CD2 4.1Å; E289-Y296 WeakPolarHBondContact CB-OH 3.11Å; E289-Y296 PolarHBondContact N-OH 2.8Å; K292-Y296 HydrophobicContact CB-CD2 4.48Å; K292-Y296 HydrophobicContact CB-CE1 3.96Å; K292-Y296 HydrophobicContact CB-CE2 3.73Å; K292-Y296 VanDerWaalsContact CB-CZ 3.44Å; K292-Y296 WeakPolarHBondContact CB-OH 3.43Å; K292-Y296 PolarHBondContact O-N 2.93Å; G293-Y296 PolarHBondContact O-N 2.76Å; Y296-M298 VanDerWaalsContact C-N 3.33Å; Y296-M298 PolarHBondContact O-N 2.87Å; Y296-N299 PolarHBondContact O-N 3.42Å; Y296-E300 WeakPolarHBondContact O-CG 3.42Å; Y296-E300 PolarHBondContact O-N 2.97Å; Y296-E300 VanDerWaalsContact O-N 3.12Å
297	L	96.8	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-46.4	174.7	-64.9	171.3	0	0	0	111.6	Y157 I183 M185 L194 V229 L245 G293 F294 Y295 N299 E300 L301	Y157-L297 HydrophobicContact CE1-CD2 3.88Å; Y157-L297 WeakPolarHBondContact OH-CD2 3.21Å; I183-L297 HydrophobicContact CD1-CD2 4.37Å; M185-L297 HydrophobicContact CE-CD2 3.62Å; M185-L297 HydrophobicContact SD-CD2 3.97Å; L194-L297 HydrophobicContact CD2-CD1 4.12Å; V229-L297 HydrophobicContact CG1-CD1 4.04Å; V229-L297 HydrophobicContact CG2-CD1 3.86Å; V229-L297 HydrophobicContact CG2-CD2 4.11Å; L245-L297 HydrophobicContact CD2-CD1 4.45Å; L245-L297 HydrophobicContact CD2-CD2 4.33Å; L245-L297 HydrophobicContact CD2-CG 4.36Å; G293-L297 WeakPolarHBondContact O-CG 3.42Å; G293-L297 PolarHBondContact O-N 3.39Å; F294-L297 PolarHBondContact O-N 3.43Å; Y295-L297 VanDerWaalsContact C-N 3.34Å; Y295-L297 PolarHBondContact O-N 2.95Å; L297-N299 VanDerWaalsContact C-N 3.27Å; L297-N299 PolarHBondContact O-N 3.28Å; L297-E300 PolarHBondContact O-N 3Å; L297-L301 WeakPolarHBondContact O-CB 3.28Å; L297-L301 WeakPolarHBondContact O-CD1 3.38Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 2.96Å
298	M	94.8	Very high	97.5	Very high	70 Å²	70	39 Å²	39	35%	0.345	19%	0.188	S	C	.	.	H	α-helix	trans	-65.6	-28.5	-179.5	-67.2	-53.9	101.3	0	0	113.5	F294 Y295 Y296 L301 P302	F294-M298 HydrophobicContact CD1-CE 4.44Å; F294-M298 HydrophobicContact CD1-CG 3.96Å; F294-M298 HydrophobicContact CE1-CE 3.89Å; F294-M298 HydrophobicContact CE1-CG 3.72Å; F294-M298 HydrophobicContact CE1-SD 3.9Å; F294-M298 HydrophobicContact CE2-CE 3.96Å; F294-M298 HydrophobicContact CZ-CE 3.62Å; F294-M298 HydrophobicContact CZ-CG 4.41Å; F294-M298 HydrophobicContact CZ-SD 4.06Å; F294-M298 WeakPolarHBondContact O-CG 3.35Å; F294-M298 PolarHBondContact O-N 2.78Å; Y295-M298 PolarHBondContact O-N 3.46Å; Y295-M298 VanDerWaalsContact O-N 3.17Å; Y296-M298 VanDerWaalsContact C-N 3.33Å; Y296-M298 PolarHBondContact O-N 2.87Å; M298-L301 HydrophobicContact CE-CD1 3.42Å; M298-L301 VanDerWaalsContact CE-CD1 3.42Å; M298-L301 HydrophobicContact SD-CD1 4.4Å; M298-P302 WeakPolarHBondContact O-CD 3.41Å
299	N	95.8	Very high	97.6	Very high	70 Å²	70	37.8 Å²	37.8	37%	0.374	18%	0.176	S	C	.	.	H	α-helix	trans	-75.6	-37.6	176.8	-74.9	-4	0	0	0	112.9	Y161 Y295 Y296 L297 P302	Y161-N299 WeakPolarHBondContact OH-CB 3.47Å; Y295-N299 WeakPolarHBondContact CE1-ND2 3.47Å; Y295-N299 VanDerWaalsContact CZ-ND2 3.28Å; Y295-N299 PolarHBondContact O-N 3.28Å; Y295-N299 VanDerWaalsContact O-N 3.1Å; Y295-N299 PolarHBondContact OH-ND2 3.33Å; Y296-N299 PolarHBondContact O-N 3.42Å; L297-N299 VanDerWaalsContact C-N 3.27Å; L297-N299 PolarHBondContact O-N 3.28Å; N299-P302 WeakPolarHBondContact O-CD 3.39Å
300	E	96.5	Very high	97.6	Very high	21 Å²	21	32 Å²	32	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-87	-28.9	-175.8	-58.5	-55.1	145.9	0	0	113.3	P156 Y157 N160 Y161 Y296 L297 Q303 E304	P156-E300 WeakPolarHBondContact CB-OE2 3.13Å; Y157-E300 HydrophobicContact CD1-CG 3.8Å; Y157-E300 HydrophobicContact CE1-CB 3.79Å; Y157-E300 HydrophobicContact CE1-CG 3.47Å; Y157-E300 VanDerWaalsContact CE1-CG 3.47Å; Y157-E300 HydrophobicContact CE2-CB 4.11Å; Y157-E300 HydrophobicContact CE2-CG 4.27Å; Y157-E300 HydrophobicContact CG-CG 4.32Å; Y157-E300 WeakPolarHBondContact OH-CB 3.14Å; N160-E300 PolarHBondContact ND2-OE1 3.22Å; Y161-E300 HydrophobicContact CE2-CG 3.93Å; Y161-E300 WeakPolarHBondContact CE2-OE1 3.32Å; Y161-E300 VanDerWaalsContact CZ-OE1 3.28Å; Y161-E300 PolarHBondContact OH-OE1 3.38Å; Y296-E300 WeakPolarHBondContact O-CG 3.42Å; Y296-E300 PolarHBondContact O-N 2.97Å; Y296-E300 VanDerWaalsContact O-N 3.12Å; L297-E300 PolarHBondContact O-N 3Å; E300-Q303 PolarHBondContact O-N 3.04Å; E300-Q303 VanDerWaalsContact O-N 3.13Å; E300-E304 PolarHBondContact O-N 3.35Å
301	L	96	Very high	97.6	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.073	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-32.9	-176.9	-80.7	169	0	0	0	116	L297 M298 Q303 E304 R305	L297-L301 WeakPolarHBondContact O-CB 3.28Å; L297-L301 WeakPolarHBondContact O-CD1 3.38Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 2.96Å; M298-L301 HydrophobicContact CE-CD1 3.42Å; M298-L301 VanDerWaalsContact CE-CD1 3.42Å; M298-L301 HydrophobicContact SD-CD1 4.4Å; L301-Q303 VanDerWaalsContact C-N 3.31Å; L301-Q303 PolarHBondContact O-N 3.18Å; L301-E304 WeakPolarHBondContact CD2-OE2 3.44Å; L301-E304 PolarHBondContact O-N 3.02Å; L301-R305 VanDerWaalsContact O-CG 3.29Å; L301-R305 WeakPolarHBondContact O-CG 3.19Å; L301-R305 PolarHBondContact O-N 2.63Å
302	P	97.3	Very high	97.5	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.071	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-39.9	174.8	-26.6	36.5	0	0	0	113.2	M298 N299 R305 L306 L373 P375 A378	M298-P302 WeakPolarHBondContact O-CD 3.41Å; N299-P302 WeakPolarHBondContact O-CD 3.39Å; P302-R305 PolarHBondContact O-N 3.36Å; P302-L306 PolarHBondContact O-N 2.86Å; P302-L373 HydrophobicContact CB-CD2 4.48Å; P302-P375 HydrophobicContact CG-CB 4.19Å; P302-P375 HydrophobicContact CG-CG 3.94Å; P302-A378 HydrophobicContact CB-CB 3.96Å; P302-A378 WeakPolarHBondContact O-CB 3.17Å
303	Q	97.6	Very high	97.5	Very high	30 Å²	30	23 Å²	23	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-46.4	176.2	176.6	168.9	-56.2	0	0	111.1	D152 E300 L301 R305 L306 L307 L368	D152-Q303 PolarHBondContact O-NE2 2.94Å; E300-Q303 PolarHBondContact O-N 3.04Å; E300-Q303 VanDerWaalsContact O-N 3.13Å; L301-Q303 VanDerWaalsContact C-N 3.31Å; L301-Q303 PolarHBondContact O-N 3.18Å; Q303-R305 VanDerWaalsContact C-N 3.26Å; Q303-R305 PolarHBondContact O-N 2.83Å; Q303-L306 PolarHBondContact O-N 2.9Å; Q303-L306 VanDerWaalsContact O-N 3.17Å; Q303-L307 WeakPolarHBondContact O-CB 3.3Å; Q303-L307 PolarHBondContact O-N 3.23Å; Q303-L368 HydrophobicContact CB-CD1 4.26Å; Q303-L368 HydrophobicContact CB-CD2 4.41Å; Q303-L368 HydrophobicContact CG-CD2 3.95Å
304	E	97.9	Very high	97.5	Very high	24 Å²	24	23 Å²	23	11%	0.112	11%	0.106	C	C	.	.	H	α-helix	trans	-53.7	-44.4	174.9	169.8	174.6	167.7	0	0	111.6	I153 E300 L301 L307 I308 G421	I153-E304 HydrophobicContact CD1-CB 4.08Å; I153-E304 HydrophobicContact CD1-CG 3.64Å; I153-E304 HydrophobicContact CG1-CB 4.11Å; I153-E304 HydrophobicContact CG1-CG 4.23Å; E300-E304 PolarHBondContact O-N 3.35Å; L301-E304 WeakPolarHBondContact CD2-OE2 3.44Å; L301-E304 PolarHBondContact O-N 3.02Å; E304-L307 PolarHBondContact O-N 3.43Å; E304-I308 HydrophobicContact CG-CD1 4.12Å; E304-I308 WeakPolarHBondContact O-CG1 3.18Å; E304-I308 PolarHBondContact O-N 3.04Å; E304-I308 VanDerWaalsContact O-N 3.08Å; E304-G421 WeakPolarHBondContact OE1-CA 3.42Å
305	R	98.4	Very high	97.5	Very high	18 Å²	18	22 Å²	22	7%	0.068	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-42.6	179.1	-73.3	168.6	-170.5	155.3	7.1	112.5	L301 P302 Q303 I308 A309 A378 S379 K382 M427 L430	L301-R305 VanDerWaalsContact O-CG 3.29Å; L301-R305 WeakPolarHBondContact O-CG 3.19Å; L301-R305 PolarHBondContact O-N 2.63Å; P302-R305 PolarHBondContact O-N 3.36Å; Q303-R305 VanDerWaalsContact C-N 3.26Å; Q303-R305 PolarHBondContact O-N 2.83Å; R305-I308 PolarHBondContact O-N 3.22Å; R305-A309 PolarHBondContact O-N 2.97Å; R305-A378 HydrophobicContact CB-CB 4.21Å; R305-S379 PolarHBondContact NH1-OG 2.74Å; R305-K382 HydrophobicContact CB-CB 3.94Å; R305-K382 HydrophobicContact CB-CG 4.26Å; R305-K382 HydrophobicContact CG-CB 4.41Å; R305-K382 HydrophobicContact CG-CG 4.44Å; R305-K382 WeakPolarHBondContact O-CB 3.37Å; R305-M427 HydrophobicContact CG-SD 4.15Å; R305-L430 VanDerWaalsContact CZ-CD1 3.42Å
306	L	98.6	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-43	177.3	176.6	56.2	0	0	0	111.7	P302 Q303 I308 A309 D310 V361 C364 L365 L368 L373	P302-L306 PolarHBondContact O-N 2.86Å; Q303-L306 PolarHBondContact O-N 2.9Å; Q303-L306 VanDerWaalsContact O-N 3.17Å; L306-I308 VanDerWaalsContact C-N 3.3Å; L306-I308 PolarHBondContact O-N 3.4Å; L306-A309 WeakPolarHBondContact O-CA 3.43Å; L306-A309 WeakPolarHBondContact O-CB 3.42Å; L306-A309 PolarHBondContact O-N 3.14Å; L306-D310 PolarHBondContact O-N 2.89Å; L306-V361 HydrophobicContact CD1-CG1 4.3Å; L306-C364 HydrophobicContact CD1-CB 3.41Å; L306-C364 VanDerWaalsContact CD1-CB 3.41Å; L306-C364 HydrophobicContact CD2-CB 3.95Å; L306-C364 WeakPolarHBondContact CD2-O 3.48Å; L306-C364 HydrophobicContact CG-CB 4.34Å; L306-L365 HydrophobicContact CD2-CD2 4.01Å; L306-L365 HydrophobicContact CD2-CG 4.39Å; L306-L365 HydrophobicContact CG-CD2 4.26Å; L306-L368 HydrophobicContact CD2-CB 3.82Å; L306-L368 HydrophobicContact CD2-CD2 3.85Å; L306-L368 HydrophobicContact CD2-CG 4.44Å; L306-L373 HydrophobicContact CB-CD2 3.92Å; L306-L373 HydrophobicContact CD2-CD2 3.65Å; L306-L373 HydrophobicContact CG-CD2 4.4Å
307	L	98.3	Very high	97.5	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-54.4	-47.5	174.3	178.2	168.6	0	0	0	110.9	W134 A148 D152 I153 Q303 E304 A309 D310 M311	W134-L307 HydrophobicContact CD2-CB 4.45Å; W134-L307 HydrophobicContact CD2-CD1 4.4Å; W134-L307 HydrophobicContact CD2-CG 3.84Å; W134-L307 HydrophobicContact CE3-CB 4.22Å; W134-L307 HydrophobicContact CE3-CG 4.11Å; W134-L307 HydrophobicContact CG-CG 4.32Å; W134-L307 HydrophobicContact CH2-CB 4.22Å; W134-L307 HydrophobicContact CH2-CG 4.42Å; W134-L307 HydrophobicContact CZ2-CB 4.41Å; W134-L307 HydrophobicContact CZ2-CD1 3.98Å; W134-L307 HydrophobicContact CZ2-CG 4.15Å; W134-L307 HydrophobicContact CZ3-CB 4.11Å; W134-L307 HydrophobicContact CZ3-CG 4.39Å; A148-L307 HydrophobicContact CB-CD1 3.94Å; A148-L307 HydrophobicContact CB-CD2 4.02Å; A148-L307 HydrophobicContact CB-CG 4.27Å; D152-L307 HydrophobicContact CB-CD1 3.64Å; I153-L307 HydrophobicContact CD1-CD1 4.33Å; I153-L307 HydrophobicContact CG1-CD1 4.1Å; Q303-L307 WeakPolarHBondContact O-CB 3.3Å; Q303-L307 PolarHBondContact O-N 3.23Å; E304-L307 PolarHBondContact O-N 3.43Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 3.21Å; L307-D310 PolarHBondContact O-N 3.19Å; L307-M311 HydrophobicContact CD2-CG 4.21Å; L307-M311 HydrophobicContact CD2-SD 3.46Å; L307-M311 WeakPolarHBondContact CD2-SD 3.39Å; L307-M311 WeakPolarHBondContact O-CG 3.41Å; L307-M311 PolarHBondContact O-N 3.43Å
308	I	98.3	Very high	97.5	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-39.1	176.8	-66.5	166.3	0	0	0	111.4	E304 R305 L306 A312 K382 F420	E304-I308 HydrophobicContact CG-CD1 4.12Å; E304-I308 WeakPolarHBondContact O-CG1 3.18Å; E304-I308 PolarHBondContact O-N 3.04Å; E304-I308 VanDerWaalsContact O-N 3.08Å; R305-I308 PolarHBondContact O-N 3.22Å; L306-I308 VanDerWaalsContact C-N 3.3Å; L306-I308 PolarHBondContact O-N 3.4Å; I308-A312 VanDerWaalsContact O-CB 3.27Å; I308-A312 WeakPolarHBondContact O-CB 3.47Å; I308-A312 PolarHBondContact O-N 2.93Å; I308-K382 HydrophobicContact CB-CG 4.16Å; I308-K382 HydrophobicContact CG2-CG 3.97Å; I308-F420 HydrophobicContact CD1-CD2 4.46Å; I308-F420 HydrophobicContact CD1-CE1 4.22Å; I308-F420 HydrophobicContact CD1-CE2 4.21Å; I308-F420 HydrophobicContact CD1-CZ 4.09Å; I308-F420 HydrophobicContact CG1-CE1 4.26Å; I308-F420 HydrophobicContact CG1-CE2 4.27Å; I308-F420 HydrophobicContact CG1-CZ 3.88Å; I308-F420 HydrophobicContact CG2-CE1 3.82Å; I308-F420 HydrophobicContact CG2-CZ 4.14Å
309	A	98.7	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-43.7	176.8	0	0	0	0	0	111.9	R305 L306 L307 A312 I313 V361 A381 A385	R305-A309 PolarHBondContact O-N 2.97Å; L306-A309 WeakPolarHBondContact O-CA 3.43Å; L306-A309 WeakPolarHBondContact O-CB 3.42Å; L306-A309 PolarHBondContact O-N 3.14Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 3.21Å; A309-A312 PolarHBondContact O-N 2.82Å; A309-I313 WeakPolarHBondContact O-CG2 3.49Å; A309-I313 PolarHBondContact O-N 2.79Å; A309-V361 HydrophobicContact CB-CG2 4.33Å; A309-A381 HydrophobicContact CB-CB 3.83Å; A309-A385 HydrophobicContact CB-CB 4.07Å
310	D	98.7	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.3	-43.1	179	-175.7	57.2	0	0	0	112.2	W134 E135 L306 L307 A312 I313 S314 R358 V361	W134-D310 HydrophobicContact CE3-CB 4.19Å; E135-D310 WeakPolarHBondContact CG-OD2 3.33Å; L306-D310 PolarHBondContact O-N 2.89Å; L307-D310 PolarHBondContact O-N 3.19Å; D310-A312 VanDerWaalsContact C-N 3.3Å; D310-A312 PolarHBondContact O-N 3.25Å; D310-I313 VanDerWaalsContact O-CG2 3.28Å; D310-I313 WeakPolarHBondContact O-CG2 3.22Å; D310-I313 PolarHBondContact O-N 3.15Å; D310-S314 VanDerWaalsContact O-CB 3.31Å; D310-S314 WeakPolarHBondContact O-CB 3.25Å; D310-S314 PolarHBondContact O-N 3.23Å; D310-S314 PolarHBondContact O-OG 3.27Å; D310-R358 IonicContact OD1-CZ 3.89Å; D310-R358 IonicContact OD1-NH1 3.69Å; D310-R358 PolarHBondContact OD1-NH1 3.49Å; D310-R358 IonicContact OD1-NH2 3.74Å; D310-V361 HydrophobicContact CB-CG1 3.91Å
311	M	97.9	Very high	97.6	Very high	31 Å²	31	8.6 Å²	8.6	15%	0.153	4%	0.042	C	C	.	.	H	α-helix	trans	-61.6	-40	172.4	-69.2	-179.4	79.6	0	0	112	W134 M138 A148 L307 S315	W134-M311 HydrophobicContact CB-CG 3.95Å; M138-M311 HydrophobicContact CE-CE 3.37Å; M138-M311 HydrophobicContact CG-CB 3.81Å; M138-M311 HydrophobicContact CG-CE 4.24Å; M138-M311 HydrophobicContact CG-CG 4.12Å; M138-M311 WeakPolarHBondContact CG-O 3.08Å; M138-M311 HydrophobicContact SD-CB 4.04Å; M138-M311 HydrophobicContact SD-CE 3.68Å; M138-M311 HydrophobicContact SD-CG 4.5Å; A148-M311 HydrophobicContact CB-SD 4.43Å; L307-M311 HydrophobicContact CD2-CG 4.21Å; L307-M311 HydrophobicContact CD2-SD 3.46Å; L307-M311 WeakPolarHBondContact CD2-SD 3.39Å; L307-M311 WeakPolarHBondContact O-CG 3.41Å; L307-M311 PolarHBondContact O-N 3.43Å; M311-S315 WeakPolarHBondContact O-CB 3.34Å; M311-S315 PolarHBondContact O-N 3.12Å; M311-S315 PolarHBondContact O-OG 2.64Å
312	A	97.8	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-45.9	-179.8	0	0	0	0	0	112	I308 A309 D310 S315 C316 A385 Q389	I308-A312 VanDerWaalsContact O-CB 3.27Å; I308-A312 WeakPolarHBondContact O-CB 3.47Å; I308-A312 PolarHBondContact O-N 2.93Å; A309-A312 PolarHBondContact O-N 2.82Å; D310-A312 VanDerWaalsContact C-N 3.3Å; D310-A312 PolarHBondContact O-N 3.25Å; A312-S315 WeakPolarHBondContact O-CB 3.43Å; A312-S315 PolarHBondContact O-N 3.32Å; A312-C316 PolarHBondContact O-N 2.61Å; A312-C316 VanDerWaalsContact O-N 3.1Å; A312-C316 PolarHBondContact O-SG 2.73Å; A312-A385 HydrophobicContact CB-CB 4.09Å; A312-Q389 HydrophobicContact CB-CB 4.23Å
313	I	98.2	Very high	97.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.6	-37.1	178.8	-167.5	64.4	0	0	0	111.6	A309 D310 S315 C316 E317 I354 R358 V361 L388	A309-I313 WeakPolarHBondContact O-CG2 3.49Å; A309-I313 PolarHBondContact O-N 2.79Å; D310-I313 VanDerWaalsContact O-CG2 3.28Å; D310-I313 WeakPolarHBondContact O-CG2 3.22Å; D310-I313 PolarHBondContact O-N 3.15Å; I313-S315 VanDerWaalsContact C-N 3.32Å; I313-S315 PolarHBondContact O-N 3.4Å; I313-C316 HydrophobicContact CD1-CB 4.41Å; I313-C316 WeakPolarHBondContact O-CA 3.21Å; I313-C316 VanDerWaalsContact O-CB 3.23Å; I313-C316 WeakPolarHBondContact O-CB 3.34Å; I313-C316 PolarHBondContact O-N 3.41Å; I313-E317 PolarHBondContact O-N 3.03Å; I313-I354 HydrophobicContact CD1-CG2 4.09Å; I313-R358 HydrophobicContact CG1-CB 4.26Å; I313-V361 HydrophobicContact CB-CG2 4.5Å; I313-V361 HydrophobicContact CG2-CB 4.28Å; I313-V361 HydrophobicContact CG2-CG1 4.14Å; I313-V361 HydrophobicContact CG2-CG2 4.04Å; I313-L388 HydrophobicContact CD1-CD2 3.9Å
314	S	97.8	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.4	-37.5	175.3	-54.8	0	0	0	0	112.2	E135 Y139 D310 C316 E317 F318 R358	E135-S314 WeakPolarHBondContact CG-OG 3.49Å; Y139-S314 WeakPolarHBondContact CE1-O 3.23Å; D310-S314 VanDerWaalsContact O-CB 3.31Å; D310-S314 WeakPolarHBondContact O-CB 3.25Å; D310-S314 PolarHBondContact O-N 3.23Å; D310-S314 PolarHBondContact O-OG 3.27Å; S314-C316 VanDerWaalsContact C-N 3.31Å; S314-C316 PolarHBondContact O-N 3.25Å; S314-E317 PolarHBondContact O-N 3.16Å; S314-F318 PolarHBondContact O-N 2.8Å; S314-R358 PolarHBondContact OG-NH2 3.28Å
315	S	96.9	Very high	97.5	Very high	10 Å²	10	13.2 Å²	13.2	7%	0.07	6%	0.062	C	C	.	.	H	α-helix	trans	-63.1	-37.2	171.3	-61	0	0	0	0	111.9	M138 M311 A312 I313 M319 Q389	M138-S315 PolarHBondContact SD-OG 2.88Å; M138-S315 VanDerWaalsContact SD-OG 3.33Å; M311-S315 WeakPolarHBondContact O-CB 3.34Å; M311-S315 PolarHBondContact O-N 3.12Å; M311-S315 PolarHBondContact O-OG 2.64Å; A312-S315 WeakPolarHBondContact O-CB 3.43Å; A312-S315 PolarHBondContact O-N 3.32Å; I313-S315 VanDerWaalsContact C-N 3.32Å; I313-S315 PolarHBondContact O-N 3.4Å; S315-M319 WeakPolarHBondContact O-CB 3.49Å; S315-M319 WeakPolarHBondContact O-CE 3.45Å; S315-M319 VanDerWaalsContact O-CG 3.32Å; S315-M319 WeakPolarHBondContact O-CG 3.41Å; S315-M319 PolarHBondContact O-N 2.99Å; S315-Q389 PolarHBondContact OG-NE2 3.25Å
316	C	97.3	Very high	97.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-45.3	175.5	-57.9	0	0	0	0	111.6	A312 I313 S314 M319 F320 I354 Q389 V392	A312-C316 PolarHBondContact O-N 2.61Å; A312-C316 VanDerWaalsContact O-N 3.1Å; A312-C316 PolarHBondContact O-SG 2.73Å; I313-C316 HydrophobicContact CD1-CB 4.41Å; I313-C316 WeakPolarHBondContact O-CA 3.21Å; I313-C316 VanDerWaalsContact O-CB 3.23Å; I313-C316 WeakPolarHBondContact O-CB 3.34Å; I313-C316 PolarHBondContact O-N 3.41Å; S314-C316 VanDerWaalsContact C-N 3.31Å; S314-C316 PolarHBondContact O-N 3.25Å; C316-M319 PolarHBondContact O-N 3.39Å; C316-F320 VanDerWaalsContact O-CB 3.29Å; C316-F320 WeakPolarHBondContact O-CB 3.48Å; C316-F320 PolarHBondContact O-N 2.85Å; C316-I354 HydrophobicContact CB-CD1 3.88Å; C316-I354 HydrophobicContact CB-CG1 3.75Å; C316-Q389 WeakPolarHBondContact SG-CA 3.32Å; C316-V392 HydrophobicContact CB-CB 4.36Å; C316-V392 HydrophobicContact CB-CG1 4.23Å; C316-V392 HydrophobicContact CB-CG2 4.07Å
317	E	97.3	Very high	97.4	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-61.4	-46	178.7	-68.7	165.5	159.7	0	0	110.9	L57 M58 Y139 I313 S314 F320 E321 I354 R358	L57-E317 HydrophobicContact CB-CB 3.95Å; L57-E317 HydrophobicContact CB-CG 3.94Å; L57-E317 HydrophobicContact CD1-CB 4.36Å; L57-E317 HydrophobicContact CD1-CG 4.1Å; M58-E317 HydrophobicContact CG-CB 4.49Å; Y139-E317 HydrophobicContact CE1-CB 4.07Å; Y139-E317 WeakPolarHBondContact CE1-OE2 3.07Å; Y139-E317 PolarHBondContact OH-OE2 3.38Å; I313-E317 PolarHBondContact O-N 3.03Å; S314-E317 PolarHBondContact O-N 3.16Å; E317-F320 PolarHBondContact O-N 3.16Å; E317-E321 WeakPolarHBondContact O-CB 3.48Å; E317-E321 WeakPolarHBondContact O-CG 3.35Å; E317-E321 PolarHBondContact O-N 3.33Å; E317-I354 HydrophobicContact CG-CG2 3.39Å; E317-R358 IonicContact OE1-CZ 3.4Å; E317-R358 IonicContact OE1-NE 2.73Å; E317-R358 PolarHBondContact OE1-NE 2.88Å; E317-R358 IonicContact OE1-NH2 3.79Å; E317-R358 IonicContact OE2-CZ 2.6Å; E317-R358 IonicContact OE2-NE 2.71Å; E317-R358 IonicContact OE2-NH2 2.68Å; E317-R358 PolarHBondContact OE2-NH2 2.95Å
318	F	96.9	Very high	97.3	Very high	17 Å²	17	18 Å²	18	8%	0.075	9%	0.087	C	C	.	.	H	α-helix	trans	-56.1	-55	173.1	173	-93.9	0	0	0	112.2	M58 Y139 N141 S314 F320 E321 E322 P410	M58-F318 HydrophobicContact SD-CB 4.22Å; M58-F318 HydrophobicContact SD-CD2 4.32Å; Y139-F318 HydrophobicContact CD1-CB 4.44Å; Y139-F318 WeakPolarHBondContact O-CD2 3.1Å; Y139-F318 WeakPolarHBondContact O-CE2 3.22Å; N141-F318 HydrophobicContact CB-CD1 3.91Å; N141-F318 HydrophobicContact CB-CD2 4.39Å; N141-F318 HydrophobicContact CB-CE1 3.45Å; N141-F318 VanDerWaalsContact CB-CE1 3.45Å; N141-F318 HydrophobicContact CB-CE2 3.94Å; N141-F318 HydrophobicContact CB-CG 4.38Å; N141-F318 HydrophobicContact CB-CZ 3.44Å; N141-F318 VanDerWaalsContact CB-CZ 3.44Å; N141-F318 VanDerWaalsContact CG-CE1 3.42Å; N141-F318 WeakPolarHBondContact ND2-CE1 3.36Å; S314-F318 PolarHBondContact O-N 2.8Å; F318-F320 VanDerWaalsContact C-N 3.27Å; F318-F320 PolarHBondContact O-N 2.83Å; F318-E321 PolarHBondContact O-N 2.87Å; F318-E322 HydrophobicContact CD1-CG 4.35Å; F318-E322 HydrophobicContact CD2-CG 4.22Å; F318-E322 HydrophobicContact CE1-CG 3.78Å; F318-E322 HydrophobicContact CE2-CG 3.68Å; F318-E322 HydrophobicContact CZ-CG 3.43Å; F318-E322 VanDerWaalsContact CZ-CG 3.43Å; F318-E322 PolarHBondContact O-N 2.92Å; F318-P410 HydrophobicContact CZ-CG 4.4Å
319	M	96.4	Very high	97.3	Very high	8 Å²	8	25 Å²	25	4%	0.039	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-37.9	-177.4	-72.8	-175.8	-69.2	0	0	112	S315 C316 T323 Q389 V392 A393 C396	S315-M319 WeakPolarHBondContact O-CB 3.49Å; S315-M319 WeakPolarHBondContact O-CE 3.45Å; S315-M319 VanDerWaalsContact O-CG 3.32Å; S315-M319 WeakPolarHBondContact O-CG 3.41Å; S315-M319 PolarHBondContact O-N 2.99Å; C316-M319 PolarHBondContact O-N 3.39Å; M319-T323 VanDerWaalsContact O-CB 3.25Å; M319-T323 WeakPolarHBondContact O-CB 3.33Å; M319-T323 PolarHBondContact O-N 3.41Å; M319-T323 PolarHBondContact O-OG1 3.01Å; M319-Q389 HydrophobicContact CE-CG 3.86Å; M319-V392 HydrophobicContact CB-CG1 4.1Å; M319-V392 HydrophobicContact CE-CB 4.24Å; M319-V392 HydrophobicContact CE-CG1 3.97Å; M319-A393 HydrophobicContact CE-CB 3.99Å; M319-A393 VanDerWaalsContact SD-CA 3.58Å; M319-A393 HydrophobicContact SD-CB 3.58Å; M319-A393 VanDerWaalsContact SD-CB 3.58Å; M319-C396 HydrophobicContact CB-CB 4.49Å
320	F	96.9	Very high	97.2	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-49.2	175.9	176.5	-93.1	0	0	0	111.5	L57 C316 E317 F318 T323 R324 L347 L350 K351 I354	L57-F320 HydrophobicContact CD1-CB 4.4Å; L57-F320 HydrophobicContact CD1-CD1 3.55Å; L57-F320 HydrophobicContact CD1-CE1 4.12Å; L57-F320 HydrophobicContact CD1-CG 4.12Å; L57-F320 HydrophobicContact CG-CD1 4.35Å; C316-F320 VanDerWaalsContact O-CB 3.29Å; C316-F320 WeakPolarHBondContact O-CB 3.48Å; C316-F320 PolarHBondContact O-N 2.85Å; E317-F320 PolarHBondContact O-N 3.16Å; F318-F320 VanDerWaalsContact C-N 3.27Å; F318-F320 PolarHBondContact O-N 2.83Å; F320-T323 PolarHBondContact O-N 2.78Å; F320-R324 VanDerWaalsContact O-CB 3.28Å; F320-R324 WeakPolarHBondContact O-CB 2.79Å; F320-R324 PolarHBondContact O-N 3.12Å; F320-L347 HydrophobicContact CD2-CD2 4.27Å; F320-L347 HydrophobicContact CE2-CB 4.18Å; F320-L347 HydrophobicContact CE2-CD2 3.81Å; F320-L347 WeakPolarHBondContact CE2-O 3.44Å; F320-L350 HydrophobicContact CD2-CB 4.1Å; F320-L350 HydrophobicContact CE2-CB 4.38Å; F320-K351 HydrophobicContact CE1-CB 4.4Å; F320-K351 HydrophobicContact CE1-CD 4.28Å; F320-K351 HydrophobicContact CE1-CG 4.41Å; F320-K351 HydrophobicContact CE2-CB 3.8Å; F320-K351 HydrophobicContact CZ-CB 3.7Å; F320-K351 HydrophobicContact CZ-CD 4.06Å; F320-K351 HydrophobicContact CZ-CG 4.13Å; F320-I354 HydrophobicContact CB-CD1 3.71Å; F320-I354 HydrophobicContact CD2-CD1 4.29Å; F320-I354 HydrophobicContact CG-CD1 4.13Å
321	E	96.7	Very high	97.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-43.6	-177.6	-71.1	-66.9	148.5	0	0	111.9	T56 L57 M58 E317 F318 R324 N325	T56-E321 WeakPolarHBondContact CA-OE1 3.36Å; T56-E321 WeakPolarHBondContact CB-OE2 3.34Å; L57-E321 HydrophobicContact CB-CG 4.24Å; L57-E321 PolarHBondContact N-OE1 2.89Å; M58-E321 HydrophobicContact CE-CB 3.74Å; M58-E321 HydrophobicContact CE-CG 4.01Å; M58-E321 HydrophobicContact CG-CG 4.41Å; E317-E321 WeakPolarHBondContact O-CB 3.48Å; E317-E321 WeakPolarHBondContact O-CG 3.35Å; E317-E321 PolarHBondContact O-N 3.33Å; F318-E321 PolarHBondContact O-N 2.87Å; E321-R324 VanDerWaalsContact CD-NH1 3.25Å; E321-R324 PolarHBondContact O-N 3.06Å; E321-R324 IonicContact OE1-CZ 3.89Å; E321-R324 IonicContact OE1-NH1 3.57Å; E321-R324 PolarHBondContact OE1-NH1 3.46Å; E321-R324 IonicContact OE1-NH2 3.51Å; E321-R324 IonicContact OE2-CZ 2.74Å; E321-R324 IonicContact OE2-NE 2.59Å; E321-R324 IonicContact OE2-NH1 3.63Å; E321-R324 PolarHBondContact OE2-NH1 3.41Å; E321-R324 IonicContact OE2-NH2 2.78Å; E321-R324 PolarHBondContact OE2-NH2 2.93Å; E321-N325 WeakPolarHBondContact O-CB 3.41Å; E321-N325 PolarHBondContact O-N 3.31Å; E321-N325 PolarHBondContact O-ND2 3.08Å
322	E	96	Very high	97	Very high	69 Å²	69	38.7 Å²	38.7	32%	0.322	18%	0.181	S	C	.	.	H	α-helix	trans	-61.8	-45.2	173.9	-73.4	-58.6	97.8	0	0	111.9	F318 R324 N325 Y326 I411	F318-E322 HydrophobicContact CD1-CG 4.35Å; F318-E322 HydrophobicContact CD2-CG 4.22Å; F318-E322 HydrophobicContact CE1-CG 3.78Å; F318-E322 HydrophobicContact CE2-CG 3.68Å; F318-E322 HydrophobicContact CZ-CG 3.43Å; F318-E322 VanDerWaalsContact CZ-CG 3.43Å; F318-E322 PolarHBondContact O-N 2.92Å; E322-R324 PolarHBondContact O-N 2.69Å; E322-N325 PolarHBondContact O-N 3.13Å; E322-Y326 PolarHBondContact O-N 3.02Å; E322-I411 HydrophobicContact CB-CD1 3.87Å
323	T	97	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-43.1	177.4	-55.9	0	0	0	0	111.8	M319 F320 N325 Y326 V327 L347 C396 L399 H400	M319-T323 VanDerWaalsContact O-CB 3.25Å; M319-T323 WeakPolarHBondContact O-CB 3.33Å; M319-T323 PolarHBondContact O-N 3.41Å; M319-T323 PolarHBondContact O-OG1 3.01Å; F320-T323 PolarHBondContact O-N 2.78Å; T323-N325 VanDerWaalsContact C-N 3.3Å; T323-N325 PolarHBondContact O-N 3.12Å; T323-Y326 PolarHBondContact O-N 3.35Å; T323-V327 HydrophobicContact CG2-CG1 4.32Å; T323-V327 WeakPolarHBondContact O-CG1 3.38Å; T323-V327 WeakPolarHBondContact O-CG2 3.45Å; T323-V327 PolarHBondContact O-N 2.91Å; T323-L347 HydrophobicContact CG2-CD2 4.47Å; T323-C396 HydrophobicContact CG2-CB 4.43Å; T323-C396 WeakPolarHBondContact OG1-CB 3.46Å; T323-C396 PolarHBondContact OG1-SG 3.17Å; T323-L399 HydrophobicContact CG2-CB 3.68Å; T323-L399 HydrophobicContact CG2-CD1 3.73Å; T323-L399 HydrophobicContact CG2-CG 4.37Å; T323-H400 VanDerWaalsContact CA-CE1 3.44Å; T323-H400 WeakPolarHBondContact CA-CE1 3.41Å; T323-H400 PolarHBondContact OG1-CE1 3.06Å; T323-H400 VanDerWaalsContact OG1-CE1 3.22Å
324	R	97.1	Very high	96.7	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.177	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-46.3	176.8	-171.2	-170.3	72.9	-168.2	4.1	110.2	K55 F320 E321 E322 V327 L328	K55-R324 PolarHBondContact O-NH1 3.16Å; F320-R324 VanDerWaalsContact O-CB 3.28Å; F320-R324 WeakPolarHBondContact O-CB 2.79Å; F320-R324 PolarHBondContact O-N 3.12Å; E321-R324 VanDerWaalsContact CD-NH1 3.25Å; E321-R324 PolarHBondContact O-N 3.06Å; E321-R324 IonicContact OE1-CZ 3.89Å; E321-R324 IonicContact OE1-NH1 3.57Å; E321-R324 PolarHBondContact OE1-NH1 3.46Å; E321-R324 IonicContact OE1-NH2 3.51Å; E321-R324 IonicContact OE2-CZ 2.74Å; E321-R324 IonicContact OE2-NE 2.59Å; E321-R324 IonicContact OE2-NH1 3.63Å; E321-R324 PolarHBondContact OE2-NH1 3.41Å; E321-R324 IonicContact OE2-NH2 2.78Å; E321-R324 PolarHBondContact OE2-NH2 2.93Å; E322-R324 PolarHBondContact O-N 2.69Å; R324-V327 WeakPolarHBondContact O-CG2 3.27Å; R324-V327 PolarHBondContact O-N 3.37Å; R324-L328 HydrophobicContact CG-CD1 4.11Å; R324-L328 WeakPolarHBondContact O-CB 3.41Å; R324-L328 WeakPolarHBondContact O-CD1 3.39Å; R324-L328 WeakPolarHBondContact O-CG 3.41Å; R324-L328 PolarHBondContact O-N 2.97Å; R324-L328 VanDerWaalsContact O-N 3.15Å
325	N	96.3	Very high	96.6	Very high	59 Å²	59	58 Å²	58	32%	0.316	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-45.1	177.1	-67.8	-22.6	0	0	0	111.5	E321 E322 T323 L328 Q329	E321-N325 WeakPolarHBondContact O-CB 3.41Å; E321-N325 PolarHBondContact O-N 3.31Å; E321-N325 PolarHBondContact O-ND2 3.08Å; E322-N325 PolarHBondContact O-N 3.13Å; T323-N325 VanDerWaalsContact C-N 3.3Å; T323-N325 PolarHBondContact O-N 3.12Å; N325-L328 PolarHBondContact O-N 2.78Å; N325-Q329 WeakPolarHBondContact O-CG 3.45Å; N325-Q329 PolarHBondContact O-N 3.45Å
326	Y	96.8	Very high	96.7	Very high	27 Å²	27	58.8 Å²	58.8	11%	0.106	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-50.4	177.5	177.2	-97.5	0	0	0	112.5	E322 T323 L328 Q329 R330 H400 Y409	E322-Y326 PolarHBondContact O-N 3.02Å; T323-Y326 PolarHBondContact O-N 3.35Å; Y326-L328 VanDerWaalsContact C-N 3.28Å; Y326-L328 PolarHBondContact O-N 3.05Å; Y326-Q329 PolarHBondContact O-N 3.41Å; Y326-Q329 VanDerWaalsContact O-N 3.1Å; Y326-R330 HydrophobicContact CD1-CB 4.33Å; Y326-R330 HydrophobicContact CE1-CB 3.99Å; Y326-R330 HydrophobicContact CE1-CG 4.05Å; Y326-R330 HydrophobicContact CE2-CB 4.44Å; Y326-R330 VanDerWaalsContact O-CB 3.31Å; Y326-R330 WeakPolarHBondContact O-CB 3.41Å; Y326-R330 PolarHBondContact O-N 3.26Å; Y326-H400 WeakPolarHBondContact CB-NE2 3.29Å; Y326-H400 AromaticContact CD1-CD2 3.6Å; Y326-H400 AromaticContact CD1-CG 3.98Å; Y326-H400 AromaticContact CD1-NE2 3.99Å; Y326-H400 AromaticContact CD2-CD2 3.75Å; Y326-H400 HydrophobicContact CE1-CB 4.27Å; Y326-H400 AromaticContact CE1-CD2 4Å; Y326-H400 AromaticContact CG-CD2 3.46Å; Y326-H400 VanDerWaalsContact CG-CD2 3.46Å; Y326-H400 AromaticContact CG-NE2 3.6Å; Y326-H400 PolarHBondContact OH-O 3.39Å; Y326-H400 VanDerWaalsContact OH-O 3.11Å; Y326-Y409 AromaticContact CD2-CE1 3.81Å; Y326-Y409 HydrophobicContact CD2-CE1 3.81Å; Y326-Y409 HydrophobicContact CE2-CE1 4.02Å
327	V	97.4	Very high	96.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-68.5	-27.7	-175.8	-62.2	0	0	0	0	113.3	T323 R324 Q329 V337 A338 V343 L347 L399	T323-V327 HydrophobicContact CG2-CG1 4.32Å; T323-V327 WeakPolarHBondContact O-CG1 3.38Å; T323-V327 WeakPolarHBondContact O-CG2 3.45Å; T323-V327 PolarHBondContact O-N 2.91Å; R324-V327 WeakPolarHBondContact O-CG2 3.27Å; R324-V327 PolarHBondContact O-N 3.37Å; V327-Q329 VanDerWaalsContact C-N 3.28Å; V327-V337 HydrophobicContact CB-CG2 3.67Å; V327-V337 HydrophobicContact CG1-CG2 3.96Å; V327-V337 WeakPolarHBondContact O-CG2 3.33Å; V327-A338 HydrophobicContact CB-CB 4.45Å; V327-A338 HydrophobicContact CG2-CB 4.21Å; V327-A338 WeakPolarHBondContact O-CB 3.48Å; V327-A338 PolarHBondContact O-N 3.49Å; V327-A338 VanDerWaalsContact O-N 3.09Å; V327-V343 HydrophobicContact CB-CG1 4.21Å; V327-V343 HydrophobicContact CG1-CG1 4.14Å; V327-V343 HydrophobicContact CG2-CG1 4.29Å; V327-L347 HydrophobicContact CG2-CD1 3.79Å; V327-L399 HydrophobicContact CG1-CB 4.39Å
328	L	97.6	Very high	96.7	Very high	96 Å²	96	60.4 Å²	60.4	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-70.3	-25.7	174.9	-74.2	171.3	0	0	0	112.2	R324 N325 Y326 T336 A338	R324-L328 HydrophobicContact CG-CD1 4.11Å; R324-L328 WeakPolarHBondContact O-CB 3.41Å; R324-L328 WeakPolarHBondContact O-CD1 3.39Å; R324-L328 WeakPolarHBondContact O-CG 3.41Å; R324-L328 PolarHBondContact O-N 2.97Å; R324-L328 VanDerWaalsContact O-N 3.15Å; N325-L328 PolarHBondContact O-N 2.78Å; Y326-L328 VanDerWaalsContact C-N 3.28Å; Y326-L328 PolarHBondContact O-N 3.05Å; L328-T336 VanDerWaalsContact O-CG2 3.23Å; L328-T336 WeakPolarHBondContact O-CG2 3.49Å; L328-A338 HydrophobicContact CD2-CB 3.82Å; L328-A338 HydrophobicContact CG-CB 4.43Å
329	Q	97.3	Very high	96.8	Very high	151 Å²	151	65.1 Å²	65.1	71%	0.706	33%	0.328	S	S	*	.	H	α-helix	trans	-100	-35.1	-178.3	-63.8	176.6	23.7	0	0	112.8	N325 Y326 V327 K331	N325-Q329 WeakPolarHBondContact O-CG 3.45Å; N325-Q329 PolarHBondContact O-N 3.45Å; Y326-Q329 PolarHBondContact O-N 3.41Å; Y326-Q329 VanDerWaalsContact O-N 3.1Å; V327-Q329 VanDerWaalsContact C-N 3.28Å; Q329-K331 PolarHBondContact O-N 3.37Å
330	R	97.1	Very high	96.8	Very high	119 Å²	119	67.9 Å²	67.9	45%	0.449	34%	0.342	S	S	.	.			trans	-66.4	119.3	-175	176	62.4	-174.2	-177.5	0.9	111.2	Y326 T336 V337	Y326-R330 HydrophobicContact CD1-CB 4.33Å; Y326-R330 HydrophobicContact CE1-CB 3.99Å; Y326-R330 HydrophobicContact CE1-CG 4.05Å; Y326-R330 HydrophobicContact CE2-CB 4.44Å; Y326-R330 VanDerWaalsContact O-CB 3.31Å; Y326-R330 WeakPolarHBondContact O-CB 3.41Å; Y326-R330 PolarHBondContact O-N 3.26Å; R330-T336 CarbonylContact O-C 3.52Å; R330-T336 WeakPolarHBondContact O-CA 3.35Å; R330-V337 HydrophobicContact CB-CG2 3.94Å; R330-V337 HydrophobicContact CG-CG1 4.05Å; R330-V337 HydrophobicContact CG-CG2 4.14Å; R330-V337 PolarHBondContact O-N 2.98Å
331	K	97.3	Very high	96.9	Very high	165 Å²	165	73.8 Å²	73.8	72%	0.717	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.5	177.2	-63.7	-179.1	-178.6	178.1	0	112.3	Q329 K335 T336	Q329-K331 PolarHBondContact O-N 3.37Å; K331-K335 CarbonylContact C-O 3.59Å; K331-K335 VanDerWaalsContact CA-O 3.23Å; K331-K335 WeakPolarHBondContact CA-O 3.22Å; K331-T336 HydrophobicContact CG-CG2 4.34Å
332	A	94.8	Very high	96.9	Very high	33 Å²	33	78.8 Å²	78.8	27%	0.273	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	153.3	168.5	0	0	0	0	0	109.2	G334 K335 V337	A332-G334 PolarHBondContact O-N 3.17Å; A332-G334 VanDerWaalsContact O-N 3.13Å; A332-K335 PolarHBondContact N-O 2.89Å; A332-K335 CarbonylContact O-C 3.56Å; A332-K335 PolarHBondContact O-N 3.18Å; A332-K335 VanDerWaalsContact O-N 3.14Å; A332-V337 HydrophobicContact CB-CG1 3.73Å
333	F	94.9	Very high	97	Very high	188 Å²	188	76.2 Å²	76.2	83%	0.825	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.9	177.8	-49.1	-74.1	0	0	0	113.7	K335	F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 2.81Å
334	G	95.1	Very high	97.1	Very high	85 Å²	85	81 Å²	81	88%	0.876	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-2.8	177.1	0	0	0	0	0	116.4	A332	A332-G334 PolarHBondContact O-N 3.17Å; A332-G334 VanDerWaalsContact O-N 3.13Å
335	K	96.7	Very high	97.1	Very high	132 Å²	132	83.4 Å²	83.4	57%	0.574	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	-173.8	176.4	-64.4	-174.6	-178.2	179.1	0	110.5	K331 A332 F333 H339	K331-K335 CarbonylContact C-O 3.59Å; K331-K335 VanDerWaalsContact CA-O 3.23Å; K331-K335 WeakPolarHBondContact CA-O 3.22Å; A332-K335 PolarHBondContact N-O 2.89Å; A332-K335 CarbonylContact O-C 3.56Å; A332-K335 PolarHBondContact O-N 3.18Å; A332-K335 VanDerWaalsContact O-N 3.14Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 2.81Å; K335-H339 HydrophobicContact CB-CB 4.2Å; K335-H339 HydrophobicContact CD-CB 4.26Å
336	T	97.9	Very high	97.3	Very high	28 Å²	28	83 Å²	83	17%	0.172	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	150	168.9	65.8	0	0	0	0	110	L328 R330 K331 A338 H339	L328-T336 VanDerWaalsContact O-CG2 3.23Å; L328-T336 WeakPolarHBondContact O-CG2 3.49Å; R330-T336 CarbonylContact O-C 3.52Å; R330-T336 WeakPolarHBondContact O-CA 3.35Å; K331-T336 HydrophobicContact CG-CG2 4.34Å; T336-A338 PolarHBondContact O-N 2.9Å; T336-H339 WeakPolarHBondContact O-CB 3.32Å; T336-H339 PolarHBondContact O-N 2.86Å; T336-H339 PolarHBondContact O-ND1 2.91Å; T336-H339 PolarHBondContact OG1-CE1 3.32Å; T336-H339 VanDerWaalsContact OG1-CE1 3.31Å; T336-H339 PolarHBondContact OG1-ND1 3.07Å
337	V	97.6	Very high	97.3	Very high	22 Å²	22	82.9 Å²	82.9	13%	0.133	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-63.5	-22.4	-179.5	-62.7	0	0	0	0	112.2	V327 R330 A332 H339 L340	V327-V337 HydrophobicContact CB-CG2 3.67Å; V327-V337 HydrophobicContact CG1-CG2 3.96Å; V327-V337 WeakPolarHBondContact O-CG2 3.33Å; R330-V337 HydrophobicContact CB-CG2 3.94Å; R330-V337 HydrophobicContact CG-CG1 4.05Å; R330-V337 HydrophobicContact CG-CG2 4.14Å; R330-V337 PolarHBondContact O-N 2.98Å; A332-V337 HydrophobicContact CB-CG1 3.73Å; V337-H339 PolarHBondContact O-N 3.3Å; V337-H339 VanDerWaalsContact O-N 3.12Å; V337-L340 HydrophobicContact CB-CD1 4.4Å; V337-L340 WeakPolarHBondContact O-CB 3.48Å; V337-L340 WeakPolarHBondContact O-CG 3.25Å; V337-L340 PolarHBondContact O-N 3.15Å
338	A	97.5	Very high	97.3	Very high	14 Å²	14	85.5 Å²	85.5	12%	0.116	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-60.1	-14.2	169	0	0	0	0	0	114.8	V327 L328 T336 L340 Q344	V327-A338 HydrophobicContact CB-CB 4.45Å; V327-A338 HydrophobicContact CG2-CB 4.21Å; V327-A338 WeakPolarHBondContact O-CB 3.48Å; V327-A338 PolarHBondContact O-N 3.49Å; V327-A338 VanDerWaalsContact O-N 3.09Å; L328-A338 HydrophobicContact CD2-CB 3.82Å; L328-A338 HydrophobicContact CG-CB 4.43Å; T336-A338 PolarHBondContact O-N 2.9Å; A338-L340 VanDerWaalsContact C-N 3.33Å; A338-Q344 VanDerWaalsContact O-CG 3.22Å; A338-Q344 WeakPolarHBondContact O-CG 3.23Å; A338-Q344 PolarHBondContact O-NE2 3.43Å
339	H	97.4	Very high	97.4	Very high	115 Å²	115	85.1 Å²	85.1	53%	0.532	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-82.3	-9.7	173	-70.5	78.7	0	0	0	113.5	K335 T336 V337	K335-H339 HydrophobicContact CB-CB 4.2Å; K335-H339 HydrophobicContact CD-CB 4.26Å; T336-H339 WeakPolarHBondContact O-CB 3.32Å; T336-H339 PolarHBondContact O-N 2.86Å; T336-H339 PolarHBondContact O-ND1 2.91Å; T336-H339 PolarHBondContact OG1-CE1 3.32Å; T336-H339 VanDerWaalsContact OG1-CE1 3.31Å; T336-H339 PolarHBondContact OG1-ND1 3.07Å; V337-H339 PolarHBondContact O-N 3.3Å; V337-H339 VanDerWaalsContact O-N 3.12Å
340	L	97.8	Very high	97.4	Very high	67 Å²	67	78 Å²	78	35%	0.351	41%	0.406	S	S	.	.	S	Bend	trans	-78	123.9	176	-58.9	175.4	0	0	0	109	V337 A338 T342 V343 Q344	V337-L340 HydrophobicContact CB-CD1 4.4Å; V337-L340 WeakPolarHBondContact O-CB 3.48Å; V337-L340 WeakPolarHBondContact O-CG 3.25Å; V337-L340 PolarHBondContact O-N 3.15Å; A338-L340 VanDerWaalsContact C-N 3.33Å; L340-T342 PolarHBondContact O-N 3.29Å; L340-V343 HydrophobicContact CB-CB 4.35Å; L340-V343 HydrophobicContact CB-CG2 4.02Å; L340-V343 HydrophobicContact CD1-CG2 4.41Å; L340-V343 WeakPolarHBondContact O-CB 3.4Å; L340-V343 PolarHBondContact O-N 3.45Å; L340-Q344 PolarHBondContact O-N 3.37Å; L340-Q344 VanDerWaalsContact O-N 3.13Å
341	Q	97.8	Very high	97.4	Very high	129 Å²	129	75.6 Å²	75.6	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-56.4	-37.5	-178.1	-174.8	179	35.2	0	0	112.5	V343 Q344 H345	Q341-V343 VanDerWaalsContact C-N 3.3Å; Q341-V343 PolarHBondContact O-N 2.88Å; Q341-Q344 PolarHBondContact O-N 3.11Å; Q341-H345 WeakPolarHBondContact CG-CE1 3.32Å; Q341-H345 VanDerWaalsContact CG-NE2 3.27Å; Q341-H345 WeakPolarHBondContact CG-NE2 3.5Å; Q341-H345 PolarHBondContact NE2-CE1 2.87Å; Q341-H345 PolarHBondContact NE2-NE2 2.99Å; Q341-H345 PolarHBondContact O-CD2 3.28Å; Q341-H345 VanDerWaalsContact O-CG 3.32Å; Q341-H345 PolarHBondContact O-N 2.92Å
342	T	97.8	Very high	97.4	Very high	108 Å²	108	70.5 Å²	70.5	66%	0.663	38%	0.384	S	S	*	.	H	α-helix	trans	-61.7	-36.9	177.4	53	0	0	0	0	112.7	L340 K346	L340-T342 PolarHBondContact O-N 3.29Å; T342-K346 WeakPolarHBondContact O-CB 3.26Å; T342-K346 PolarHBondContact O-N 3.03Å; T342-K346 VanDerWaalsContact O-N 3.15Å
343	V	98.3	Very high	97.6	Very high	15 Å²	15	71 Å²	71	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-69.1	-44	174.6	173.4	0	0	0	0	110.3	V327 L340 Q341 K346 L347 L399	V327-V343 HydrophobicContact CB-CG1 4.21Å; V327-V343 HydrophobicContact CG1-CG1 4.14Å; V327-V343 HydrophobicContact CG2-CG1 4.29Å; L340-V343 HydrophobicContact CB-CB 4.35Å; L340-V343 HydrophobicContact CB-CG2 4.02Å; L340-V343 HydrophobicContact CD1-CG2 4.41Å; L340-V343 WeakPolarHBondContact O-CB 3.4Å; L340-V343 PolarHBondContact O-N 3.45Å; Q341-V343 VanDerWaalsContact C-N 3.3Å; Q341-V343 PolarHBondContact O-N 2.88Å; V343-K346 PolarHBondContact O-N 3.3Å; V343-L347 HydrophobicContact CG1-CD1 4.31Å; V343-L347 WeakPolarHBondContact O-CG 3.21Å; V343-L347 PolarHBondContact O-N 3.42Å; V343-L399 HydrophobicContact CB-CD2 4.42Å; V343-L399 HydrophobicContact CG1-CD2 4.15Å; V343-L399 HydrophobicContact CG2-CD2 4.05Å
344	Q	98.3	Very high	97.7	Very high	99 Å²	99	62.1 Å²	62.1	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-47.3	179	-65.2	175.8	-10	0	0	112.1	A338 L340 Q341 K346 L347 A348	A338-Q344 VanDerWaalsContact O-CG 3.22Å; A338-Q344 WeakPolarHBondContact O-CG 3.23Å; A338-Q344 PolarHBondContact O-NE2 3.43Å; L340-Q344 PolarHBondContact O-N 3.37Å; L340-Q344 VanDerWaalsContact O-N 3.13Å; Q341-Q344 PolarHBondContact O-N 3.11Å; Q344-K346 VanDerWaalsContact C-N 3.33Å; Q344-K346 PolarHBondContact O-N 3.36Å; Q344-L347 PolarHBondContact O-N 3.04Å; Q344-A348 WeakPolarHBondContact O-CB 3.03Å; Q344-A348 PolarHBondContact O-N 2.96Å
345	H	98.5	Very high	97.8	Very high	99 Å²	99	59.8 Å²	59.8	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-43.6	177	-68	-179.4	0	0	0	111.1	Q341 L347 A348 E349	Q341-H345 WeakPolarHBondContact CG-CE1 3.32Å; Q341-H345 VanDerWaalsContact CG-NE2 3.27Å; Q341-H345 WeakPolarHBondContact CG-NE2 3.5Å; Q341-H345 PolarHBondContact NE2-CE1 2.87Å; Q341-H345 PolarHBondContact NE2-NE2 2.99Å; Q341-H345 PolarHBondContact O-CD2 3.28Å; Q341-H345 VanDerWaalsContact O-CG 3.32Å; Q341-H345 PolarHBondContact O-N 2.92Å; H345-L347 PolarHBondContact O-N 3.14Å; H345-A348 WeakPolarHBondContact O-CB 3.42Å; H345-A348 PolarHBondContact O-N 2.98Å; H345-E349 WeakPolarHBondContact O-CG 3.49Å; H345-E349 PolarHBondContact O-N 2.65Å
346	K	98.6	Very high	97.8	Very high	51 Å²	51	60.3 Å²	60.3	22%	0.222	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-44.4	178	-173.7	54.6	59.8	-167.4	0	112.2	T342 V343 Q344 A348 E349 L350 Q395 L399	T342-K346 WeakPolarHBondContact O-CB 3.26Å; T342-K346 PolarHBondContact O-N 3.03Å; T342-K346 VanDerWaalsContact O-N 3.15Å; V343-K346 PolarHBondContact O-N 3.3Å; Q344-K346 VanDerWaalsContact C-N 3.33Å; Q344-K346 PolarHBondContact O-N 3.36Å; K346-A348 VanDerWaalsContact C-N 3.32Å; K346-A348 PolarHBondContact O-N 2.93Å; K346-E349 IonicContact NZ-OE2 3.48Å; K346-E349 PolarHBondContact NZ-OE2 3.18Å; K346-E349 PolarHBondContact O-N 3.04Å; K346-L350 HydrophobicContact CD-CG 4.35Å; K346-L350 HydrophobicContact CG-CD1 4.32Å; K346-L350 WeakPolarHBondContact O-CG 3.29Å; K346-L350 PolarHBondContact O-N 3.08Å; K346-Q395 HydrophobicContact CD-CB 4.28Å; K346-Q395 HydrophobicContact CD-CG 4.12Å; K346-Q395 VanDerWaalsContact CD-OE1 3.29Å; K346-L399 HydrophobicContact CG-CD1 4.13Å
347	L	98.1	Very high	97.7	Very high	23 Å²	23	59 Å²	59	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-37.3	175.8	-71.7	179.6	0	0	0	112.2	F320 T323 V327 V343 Q344 H345 K351 L399	F320-L347 HydrophobicContact CD2-CD2 4.27Å; F320-L347 HydrophobicContact CE2-CB 4.18Å; F320-L347 HydrophobicContact CE2-CD2 3.81Å; F320-L347 WeakPolarHBondContact CE2-O 3.44Å; T323-L347 HydrophobicContact CG2-CD2 4.47Å; V327-L347 HydrophobicContact CG2-CD1 3.79Å; V343-L347 HydrophobicContact CG1-CD1 4.31Å; V343-L347 WeakPolarHBondContact O-CG 3.21Å; V343-L347 PolarHBondContact O-N 3.42Å; Q344-L347 PolarHBondContact O-N 3.04Å; H345-L347 PolarHBondContact O-N 3.14Å; L347-K351 WeakPolarHBondContact O-CB 3.3Å; L347-K351 PolarHBondContact O-N 3.47Å; L347-L399 HydrophobicContact CD2-CD1 3.96Å; L347-L399 HydrophobicContact CG-CD1 4.47Å
348	A	98	Very high	97.7	Very high	57 Å²	57	58.2 Å²	58.2	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-48.2	175.9	0	0	0	0	0	111.5	Q344 H345 K346 L350 K351 S352	Q344-A348 WeakPolarHBondContact O-CB 3.03Å; Q344-A348 PolarHBondContact O-N 2.96Å; H345-A348 WeakPolarHBondContact O-CB 3.42Å; H345-A348 PolarHBondContact O-N 2.98Å; K346-A348 VanDerWaalsContact C-N 3.32Å; K346-A348 PolarHBondContact O-N 2.93Å; A348-L350 PolarHBondContact O-N 2.97Å; A348-K351 PolarHBondContact O-N 2.9Å; A348-S352 PolarHBondContact O-N 3.46Å; A348-S352 PolarHBondContact O-OG 3.41Å
349	E	98.4	Very high	97.7	Very high	88 Å²	88	62.7 Å²	62.7	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-51	176	-70.4	168.4	-169.4	0	0	111.9	H345 K346 K351 S352 E353	H345-E349 WeakPolarHBondContact O-CG 3.49Å; H345-E349 PolarHBondContact O-N 2.65Å; K346-E349 IonicContact NZ-OE2 3.48Å; K346-E349 PolarHBondContact NZ-OE2 3.18Å; K346-E349 PolarHBondContact O-N 3.04Å; E349-K351 PolarHBondContact O-N 2.89Å; E349-S352 PolarHBondContact O-N 3.36Å; E349-E353 WeakPolarHBondContact O-CG 3.09Å; E349-E353 PolarHBondContact O-N 3.35Å
350	L	98.1	Very high	97.7	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-45.7	-179.2	-66.8	177.2	0	0	0	111.7	F320 K346 A348 S352 E353 I354 V392 Q395	F320-L350 HydrophobicContact CD2-CB 4.1Å; F320-L350 HydrophobicContact CE2-CB 4.38Å; K346-L350 HydrophobicContact CD-CG 4.35Å; K346-L350 HydrophobicContact CG-CD1 4.32Å; K346-L350 WeakPolarHBondContact O-CG 3.29Å; K346-L350 PolarHBondContact O-N 3.08Å; A348-L350 PolarHBondContact O-N 2.97Å; L350-S352 VanDerWaalsContact C-N 3.33Å; L350-S352 PolarHBondContact O-N 2.89Å; L350-E353 PolarHBondContact O-N 2.87Å; L350-I354 WeakPolarHBondContact O-CB 3.41Å; L350-I354 WeakPolarHBondContact O-CD1 3.42Å; L350-I354 WeakPolarHBondContact O-CG1 3.2Å; L350-I354 PolarHBondContact O-N 2.8Å; L350-V392 HydrophobicContact CD2-CG2 4.09Å; L350-Q395 HydrophobicContact CD1-CB 3.88Å; L350-Q395 HydrophobicContact CD2-CB 4.09Å; L350-Q395 HydrophobicContact CD2-CG 4.17Å; L350-Q395 HydrophobicContact CG-CB 4.5Å
351	K	97.1	Very high	97.7	Very high	68 Å²	68	57.4 Å²	57.4	30%	0.296	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-43.8	178.7	-173.5	171.7	179.2	175.1	0	111.3	F320 L347 A348 E349 I354 C355	F320-K351 HydrophobicContact CE1-CB 4.4Å; F320-K351 HydrophobicContact CE1-CD 4.28Å; F320-K351 HydrophobicContact CE1-CG 4.41Å; F320-K351 HydrophobicContact CE2-CB 3.8Å; F320-K351 HydrophobicContact CZ-CB 3.7Å; F320-K351 HydrophobicContact CZ-CD 4.06Å; F320-K351 HydrophobicContact CZ-CG 4.13Å; L347-K351 WeakPolarHBondContact O-CB 3.3Å; L347-K351 PolarHBondContact O-N 3.47Å; A348-K351 PolarHBondContact O-N 2.9Å; E349-K351 PolarHBondContact O-N 2.89Å; K351-I354 PolarHBondContact O-N 3.06Å; K351-C355 WeakPolarHBondContact O-CB 3.15Å; K351-C355 PolarHBondContact O-N 3.18Å; K351-C355 PolarHBondContact O-SG 3.1Å
352	S	97.3	Very high	97.8	Very high	58 Å²	58	52.1 Å²	52.1	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-48.7	178.4	-70.5	0	0	0	0	111.9	A348 E349 L350 I354 C355 F356	A348-S352 PolarHBondContact O-N 3.46Å; A348-S352 PolarHBondContact O-OG 3.41Å; E349-S352 PolarHBondContact O-N 3.36Å; L350-S352 VanDerWaalsContact C-N 3.33Å; L350-S352 PolarHBondContact O-N 2.89Å; S352-I354 PolarHBondContact O-N 2.92Å; S352-C355 PolarHBondContact O-N 2.92Å; S352-F356 WeakPolarHBondContact O-CD1 3.23Å; S352-F356 WeakPolarHBondContact O-CD2 3.48Å; S352-F356 WeakPolarHBondContact O-CG 3.27Å; S352-F356 PolarHBondContact O-N 3.01Å
353	E	98.1	Very high	97.8	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-45.5	178.6	-69.9	173.9	-160.5	0	0	111.4	E349 L350 C355 F356 G357 W384 L388 K391	E349-E353 WeakPolarHBondContact O-CG 3.09Å; E349-E353 PolarHBondContact O-N 3.35Å; L350-E353 PolarHBondContact O-N 2.87Å; E353-C355 PolarHBondContact O-N 3.24Å; E353-F356 PolarHBondContact O-N 3.47Å; E353-G357 PolarHBondContact O-N 3.29Å; E353-W384 WeakPolarHBondContact O-CH2 3.35Å; E353-L388 HydrophobicContact CB-CD1 3.81Å; E353-L388 HydrophobicContact CB-CD2 4.35Å; E353-L388 VanDerWaalsContact OE2-CD1 3.27Å; E353-L388 WeakPolarHBondContact OE2-CD1 3.44Å; E353-K391 IonicContact OE1-NZ 3.57Å; E353-K391 PolarHBondContact OE1-NZ 3.43Å; E353-K391 VanDerWaalsContact OE2-CE 3.3Å; E353-K391 WeakPolarHBondContact OE2-CE 3.41Å; E353-K391 IonicContact OE2-NZ 3.58Å; E353-K391 PolarHBondContact OE2-NZ 2.91Å
354	I	97.9	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-46.4	177.7	-67.1	166.6	0	0	0	111.2	L57 I313 C316 E317 F320 L350 K351 S352 F356 G357 R358 L388 V392	L57-I354 HydrophobicContact CD1-CG2 3.97Å; I313-I354 HydrophobicContact CD1-CG2 4.09Å; C316-I354 HydrophobicContact CB-CD1 3.88Å; C316-I354 HydrophobicContact CB-CG1 3.75Å; E317-I354 HydrophobicContact CG-CG2 3.39Å; F320-I354 HydrophobicContact CB-CD1 3.71Å; F320-I354 HydrophobicContact CD2-CD1 4.29Å; F320-I354 HydrophobicContact CG-CD1 4.13Å; L350-I354 WeakPolarHBondContact O-CB 3.41Å; L350-I354 WeakPolarHBondContact O-CD1 3.42Å; L350-I354 WeakPolarHBondContact O-CG1 3.2Å; L350-I354 PolarHBondContact O-N 2.8Å; K351-I354 PolarHBondContact O-N 3.06Å; S352-I354 PolarHBondContact O-N 2.92Å; I354-F356 VanDerWaalsContact C-N 3.32Å; I354-F356 PolarHBondContact O-N 2.75Å; I354-G357 PolarHBondContact O-N 3.18Å; I354-R358 WeakPolarHBondContact O-CB 3.34Å; I354-R358 PolarHBondContact O-N 2.98Å; I354-L388 HydrophobicContact CG1-CD2 4.3Å; I354-V392 HydrophobicContact CD1-CG1 4.41Å; I354-V392 HydrophobicContact CD1-CG2 4.19Å; I354-V392 HydrophobicContact CG1-CG2 4.21Å
355	C	96.1	Very high	97.8	Very high	37 Å²	37	44.9 Å²	44.9	25%	0.25	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-40.3	177.2	-70.9	0	0	0	0	112.4	K351 S352 E353 R358 V359	K351-C355 WeakPolarHBondContact O-CB 3.15Å; K351-C355 PolarHBondContact O-N 3.18Å; K351-C355 PolarHBondContact O-SG 3.1Å; S352-C355 PolarHBondContact O-N 2.92Å; E353-C355 PolarHBondContact O-N 3.24Å; C355-R358 PolarHBondContact O-N 3.29Å; C355-V359 WeakPolarHBondContact O-CG2 3.44Å; C355-V359 PolarHBondContact O-N 2.8Å
356	F	96.6	Very high	97.8	Very high	142 Å²	142	43.8 Å²	43.8	62%	0.623	23%	0.23	S	C	*	.	H	α-helix	trans	-63.1	-44.6	176.3	-59.6	-22	0	0	0	111.6	S352 E353 I354 F360	S352-F356 WeakPolarHBondContact O-CD1 3.23Å; S352-F356 WeakPolarHBondContact O-CD2 3.48Å; S352-F356 WeakPolarHBondContact O-CG 3.27Å; S352-F356 PolarHBondContact O-N 3.01Å; E353-F356 PolarHBondContact O-N 3.47Å; I354-F356 VanDerWaalsContact C-N 3.32Å; I354-F356 PolarHBondContact O-N 2.75Å; F356-F360 PolarHBondContact O-N 2.84Å
357	G	97.5	Very high	97.8	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-47.7	176.1	0	0	0	0	0	112.9	E353 I354 V359 F360 V361	E353-G357 PolarHBondContact O-N 3.29Å; I354-G357 PolarHBondContact O-N 3.18Å; G357-V359 PolarHBondContact O-N 3.37Å; G357-F360 PolarHBondContact O-N 3.04Å; G357-F360 VanDerWaalsContact O-N 3.15Å; G357-V361 WeakPolarHBondContact O-CG2 3.43Å; G357-V361 PolarHBondContact O-N 3.37Å
358	R	97.3	Very high	97.8	Very high	5 Å²	5	43 Å²	43	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-45.1	-178.6	176.6	52.8	71.7	-171	7.8	111.9	E135 Y139 D310 I313 S314 E317 I354 C355 F360 V361 D362	E135-R358 IonicContact OE1-NH1 2.84Å; Y139-R358 PolarHBondContact OH-NH2 2.85Å; D310-R358 IonicContact OD1-CZ 3.89Å; D310-R358 IonicContact OD1-NH1 3.69Å; D310-R358 PolarHBondContact OD1-NH1 3.49Å; D310-R358 IonicContact OD1-NH2 3.74Å; I313-R358 HydrophobicContact CG1-CB 4.26Å; S314-R358 PolarHBondContact OG-NH2 3.28Å; E317-R358 IonicContact OE1-CZ 3.4Å; E317-R358 IonicContact OE1-NE 2.73Å; E317-R358 PolarHBondContact OE1-NE 2.88Å; E317-R358 IonicContact OE1-NH2 3.79Å; E317-R358 IonicContact OE2-CZ 2.6Å; E317-R358 IonicContact OE2-NE 2.71Å; E317-R358 IonicContact OE2-NH2 2.68Å; E317-R358 PolarHBondContact OE2-NH2 2.95Å; I354-R358 WeakPolarHBondContact O-CB 3.34Å; I354-R358 PolarHBondContact O-N 2.98Å; C355-R358 PolarHBondContact O-N 3.29Å; R358-F360 VanDerWaalsContact C-N 3.29Å; R358-F360 PolarHBondContact O-N 3.43Å; R358-V361 PolarHBondContact O-N 3.44Å; R358-D362 WeakPolarHBondContact CD-OD1 3.38Å; R358-D362 IonicContact NH1-OD1 3.12Å; R358-D362 WeakPolarHBondContact O-CB 3.5Å; R358-D362 VanDerWaalsContact O-CG 3.26Å; R358-D362 PolarHBondContact O-N 3.38Å
359	V	96.3	Very high	97.7	Very high	108 Å²	108	42.6 Å²	42.6	66%	0.655	22%	0.222	S	C	*	.	H	α-helix	trans	-59.5	-41.7	176.8	172.6	0	0	0	0	111.5	C355 G357 N363	C355-V359 WeakPolarHBondContact O-CG2 3.44Å; C355-V359 PolarHBondContact O-N 2.8Å; G357-V359 PolarHBondContact O-N 3.37Å; V359-N363 PolarHBondContact O-N 3.05Å; V359-N363 VanDerWaalsContact O-N 3.11Å
360	F	98.4	Very high	97.7	Very high	70 Å²	70	43.3 Å²	43.3	31%	0.307	23%	0.225	S	C	.	.	H	α-helix	trans	-68.8	-42.9	179.1	-175.2	-112.5	0	0	0	112.6	F356 G357 R358 N363 C364 T377 M380 A381	F356-F360 PolarHBondContact O-N 2.84Å; G357-F360 PolarHBondContact O-N 3.04Å; G357-F360 VanDerWaalsContact O-N 3.15Å; R358-F360 VanDerWaalsContact C-N 3.29Å; R358-F360 PolarHBondContact O-N 3.43Å; F360-N363 PolarHBondContact O-N 3.06Å; F360-C364 PolarHBondContact O-N 2.86Å; F360-C364 PolarHBondContact O-SG 2.9Å; F360-T377 HydrophobicContact CZ-CG2 4.12Å; F360-M380 HydrophobicContact CE1-CB 4.09Å; F360-M380 HydrophobicContact CZ-CB 4.04Å; F360-A381 HydrophobicContact CD1-CB 4.22Å; F360-A381 HydrophobicContact CE1-CB 3.79Å
361	V	98.6	Very high	97.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-41.7	176.1	170.9	0	0	0	0	111.1	L306 A309 D310 I313 G357 R358 N363 C364 L365	L306-V361 HydrophobicContact CD1-CG1 4.3Å; A309-V361 HydrophobicContact CB-CG2 4.33Å; D310-V361 HydrophobicContact CB-CG1 3.91Å; I313-V361 HydrophobicContact CB-CG2 4.5Å; I313-V361 HydrophobicContact CG2-CB 4.28Å; I313-V361 HydrophobicContact CG2-CG1 4.14Å; I313-V361 HydrophobicContact CG2-CG2 4.04Å; G357-V361 WeakPolarHBondContact O-CG2 3.43Å; G357-V361 PolarHBondContact O-N 3.37Å; R358-V361 PolarHBondContact O-N 3.44Å; V361-N363 VanDerWaalsContact C-N 3.33Å; V361-N363 PolarHBondContact O-N 3.35Å; V361-C364 CarbonylContact O-C 3.55Å; V361-C364 WeakPolarHBondContact O-CA 3.46Å; V361-C364 WeakPolarHBondContact O-CB 3.48Å; V361-C364 PolarHBondContact O-N 3.03Å; V361-L365 HydrophobicContact CG1-CD1 4.41Å; V361-L365 PolarHBondContact O-N 3.4Å
362	D	98.1	Very high	97.5	Very high	18 Å²	18	59.1 Å²	59.1	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-42.1	176.5	-77.5	13.8	0	0	0	111.9	R63 I65 R358 C364 L365 Q366	R63-D362 IonicContact CZ-OD1 3.32Å; R63-D362 VanDerWaalsContact CZ-OD1 3.27Å; R63-D362 IonicContact CZ-OD2 3.58Å; R63-D362 IonicContact NE-OD1 2.64Å; R63-D362 PolarHBondContact NE-OD1 2.97Å; R63-D362 IonicContact NE-OD2 3.21Å; R63-D362 PolarHBondContact NE-OD2 3.45Å; R63-D362 IonicContact NH2-OD1 2.99Å; R63-D362 PolarHBondContact NH2-OD1 3.04Å; R63-D362 IonicContact NH2-OD2 2.8Å; I65-D362 HydrophobicContact CD1-CB 4.16Å; I65-D362 HydrophobicContact CG2-CB 3.87Å; R358-D362 WeakPolarHBondContact CD-OD1 3.38Å; R358-D362 IonicContact NH1-OD1 3.12Å; R358-D362 WeakPolarHBondContact O-CB 3.5Å; R358-D362 VanDerWaalsContact O-CG 3.26Å; R358-D362 PolarHBondContact O-N 3.38Å; D362-C364 VanDerWaalsContact C-N 3.32Å; D362-C364 PolarHBondContact O-N 3.38Å; D362-L365 PolarHBondContact O-N 3.13Å; D362-Q366 PolarHBondContact O-N 3.19Å
363	N	98.4	Very high	97.5	Very high	71 Å²	71	57.3 Å²	57.3	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-39.7	172.2	176.6	80.5	0	0	0	111.9	V359 F360 V361 Q366 L367	V359-N363 PolarHBondContact O-N 3.05Å; V359-N363 VanDerWaalsContact O-N 3.11Å; F360-N363 PolarHBondContact O-N 3.06Å; V361-N363 VanDerWaalsContact C-N 3.33Å; V361-N363 PolarHBondContact O-N 3.35Å; N363-Q366 PolarHBondContact O-N 3.23Å; N363-L367 WeakPolarHBondContact O-CG 3.47Å; N363-L367 PolarHBondContact O-N 3.38Å
364	C	98.7	Very high	97.4	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-37.2	176.1	-63.7	0	0	0	0	112.4	L306 F360 V361 D362 L367 L368 L373	L306-C364 HydrophobicContact CD1-CB 3.41Å; L306-C364 VanDerWaalsContact CD1-CB 3.41Å; L306-C364 HydrophobicContact CD2-CB 3.95Å; L306-C364 WeakPolarHBondContact CD2-O 3.48Å; L306-C364 HydrophobicContact CG-CB 4.34Å; F360-C364 PolarHBondContact O-N 2.86Å; F360-C364 PolarHBondContact O-SG 2.9Å; V361-C364 CarbonylContact O-C 3.55Å; V361-C364 WeakPolarHBondContact O-CA 3.46Å; V361-C364 WeakPolarHBondContact O-CB 3.48Å; V361-C364 PolarHBondContact O-N 3.03Å; D362-C364 VanDerWaalsContact C-N 3.32Å; D362-C364 PolarHBondContact O-N 3.38Å; C364-L367 PolarHBondContact O-N 2.7Å; C364-L368 WeakPolarHBondContact O-CB 3.48Å; C364-L368 PolarHBondContact O-N 3.32Å; C364-L373 HydrophobicContact CB-CD1 3.98Å
365	L	98.6	Very high	97.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-42.6	173.3	-72.5	170.1	0	0	0	111.5	I65 T127 F128 A131 W134 L306 V361 D362 L368 S369	I65-L365 HydrophobicContact CD1-CB 4.45Å; I65-L365 HydrophobicContact CD1-CD1 3.86Å; T127-L365 HydrophobicContact CG2-CD2 4.36Å; F128-L365 HydrophobicContact CD1-CB 4.48Å; F128-L365 HydrophobicContact CE1-CB 4.18Å; A131-L365 HydrophobicContact CB-CD1 4.01Å; A131-L365 HydrophobicContact CB-CD2 3.89Å; W134-L365 HydrophobicContact CZ3-CD2 4Å; L306-L365 HydrophobicContact CD2-CD2 4.01Å; L306-L365 HydrophobicContact CD2-CG 4.39Å; L306-L365 HydrophobicContact CG-CD2 4.26Å; V361-L365 HydrophobicContact CG1-CD1 4.41Å; V361-L365 PolarHBondContact O-N 3.4Å; D362-L365 PolarHBondContact O-N 3.13Å; L365-L368 PolarHBondContact O-N 3.03Å; L365-S369 PolarHBondContact O-N 3.06Å
366	Q	98.3	Very high	97.4	Very high	75 Å²	75	61.1 Å²	61.1	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-49	172.9	-70.4	178.2	7.6	0	0	111.4	I65 F128 D362 N363 L368 S369 E370	I65-Q366 HydrophobicContact CG2-CG 4.21Å; F128-Q366 HydrophobicContact CE1-CG 4.26Å; F128-Q366 HydrophobicContact CZ-CG 4.17Å; D362-Q366 PolarHBondContact O-N 3.19Å; N363-Q366 PolarHBondContact O-N 3.23Å; Q366-L368 VanDerWaalsContact C-N 3.26Å; Q366-L368 PolarHBondContact O-N 2.84Å; Q366-S369 PolarHBondContact O-N 3.29Å; Q366-S369 VanDerWaalsContact O-N 3.1Å; Q366-S369 PolarHBondContact O-OG 3.3Å; Q366-E370 WeakPolarHBondContact O-CG 3.47Å; Q366-E370 PolarHBondContact O-N 3.33Å
367	L	98.4	Very high	97.5	Very high	34 Å²	34	55.6 Å²	55.6	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-38.1	176.5	-71.8	172.5	0	0	0	112.2	N363 C364 E370 R371 R372 L373 T377	N363-L367 WeakPolarHBondContact O-CG 3.47Å; N363-L367 PolarHBondContact O-N 3.38Å; C364-L367 PolarHBondContact O-N 2.7Å; L367-E370 PolarHBondContact O-N 3.03Å; L367-R371 PolarHBondContact O-N 2.95Å; L367-R372 HydrophobicContact CD2-CB 4.13Å; L367-R372 CarbonylContact O-C 3.59Å; L367-R372 WeakPolarHBondContact O-CA 3.5Å; L367-R372 PolarHBondContact O-N 3.24Å; L367-L373 HydrophobicContact CB-CB 4.09Å; L367-L373 HydrophobicContact CB-CD1 4.27Å; L367-L373 PolarHBondContact O-N 3.24Å; L367-L373 VanDerWaalsContact O-N 3.11Å; L367-T377 HydrophobicContact CD1-CG2 4.32Å
368	L	97.8	Very high	97.5	Very high	24 Å²	24	55.6 Å²	55.6	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-45.5	175.1	-178.9	61.9	0	0	0	111.2	T127 Q303 L306 C364 L365 Q366 E370 R371 L373	T127-L368 HydrophobicContact CG2-CB 4.25Å; T127-L368 HydrophobicContact CG2-CD2 3.66Å; T127-L368 HydrophobicContact CG2-CG 3.95Å; Q303-L368 HydrophobicContact CB-CD1 4.26Å; Q303-L368 HydrophobicContact CB-CD2 4.41Å; Q303-L368 HydrophobicContact CG-CD2 3.95Å; L306-L368 HydrophobicContact CD2-CB 3.82Å; L306-L368 HydrophobicContact CD2-CD2 3.85Å; L306-L368 HydrophobicContact CD2-CG 4.44Å; C364-L368 WeakPolarHBondContact O-CB 3.48Å; C364-L368 PolarHBondContact O-N 3.32Å; L365-L368 PolarHBondContact O-N 3.03Å; Q366-L368 VanDerWaalsContact C-N 3.26Å; Q366-L368 PolarHBondContact O-N 2.84Å; L368-E370 PolarHBondContact O-N 2.86Å; L368-R371 WeakPolarHBondContact O-CA 3.42Å; L368-R371 PolarHBondContact O-N 2.88Å; L368-L373 HydrophobicContact CB-CB 4.23Å; L368-L373 HydrophobicContact CB-CD2 4.21Å; L368-L373 HydrophobicContact CD1-CB 4.5Å; L368-L373 HydrophobicContact CD1-CD2 4.32Å
369	S	97	Very high	97.6	Very high	48 Å²	48	55.3 Å²	55.3	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-31.4	178.2	77.5	0	0	0	0	112.7	L365 Q366 R371	L365-S369 PolarHBondContact O-N 3.06Å; Q366-S369 PolarHBondContact O-N 3.29Å; Q366-S369 VanDerWaalsContact O-N 3.1Å; Q366-S369 PolarHBondContact O-OG 3.3Å; S369-R371 VanDerWaalsContact C-N 3.34Å
370	E	96.9	Very high	97.7	Very high	103 Å²	103	53.5 Å²	53.5	48%	0.481	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.4	175.5	-64.2	179.7	-174.1	0	0	113.7	Q366 L367 L368 R372	Q366-E370 WeakPolarHBondContact O-CG 3.47Å; Q366-E370 PolarHBondContact O-N 3.33Å; L367-E370 PolarHBondContact O-N 3.03Å; L368-E370 PolarHBondContact O-N 2.86Å; E370-R372 HydrophobicContact CB-CB 4.38Å; E370-R372 HydrophobicContact CB-CG 4.2Å; E370-R372 WeakPolarHBondContact O-CG 3.45Å; E370-R372 PolarHBondContact O-N 3.48Å; E370-R372 WeakPolarHBondContact OE2-CD 3.07Å; E370-R372 IonicContact OE2-CZ 2.84Å; E370-R372 IonicContact OE2-NE 2.72Å; E370-R372 IonicContact OE2-NH1 2.77Å; E370-R372 PolarHBondContact OE2-NH1 3.34Å
371	R	94.8	Very high	97.7	Very high	235 Å²	235	50.2 Å²	50.2	89%	0.887	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	34.3	-173.2	-54.9	-176.1	177.1	-136.5	-0.9	113.9	L367 L368 S369	L367-R371 PolarHBondContact O-N 2.95Å; L368-R371 WeakPolarHBondContact O-CA 3.42Å; L368-R371 PolarHBondContact O-N 2.88Å; S369-R371 VanDerWaalsContact C-N 3.34Å
372	R	96.9	Very high	97.7	Very high	167 Å²	167	50.1 Å²	50.1	63%	0.63	24%	0.24	S	C	*	.			trans	-117.2	1.1	-177.5	-71	172.1	63.8	-163.1	2.5	113.7	L367 E370 D374	L367-R372 HydrophobicContact CD2-CB 4.13Å; L367-R372 CarbonylContact O-C 3.59Å; L367-R372 WeakPolarHBondContact O-CA 3.5Å; L367-R372 PolarHBondContact O-N 3.24Å; E370-R372 HydrophobicContact CB-CB 4.38Å; E370-R372 HydrophobicContact CB-CG 4.2Å; E370-R372 WeakPolarHBondContact O-CG 3.45Å; E370-R372 PolarHBondContact O-N 3.48Å; E370-R372 WeakPolarHBondContact OE2-CD 3.07Å; E370-R372 IonicContact OE2-CZ 2.84Å; E370-R372 IonicContact OE2-NE 2.72Å; E370-R372 IonicContact OE2-NH1 2.77Å; E370-R372 PolarHBondContact OE2-NH1 3.34Å; R372-D374 PolarHBondContact O-N 3.22Å
373	L	97.7	Very high	97.7	Very high	20 Å²	20	51.1 Å²	51.1	11%	0.105	24%	0.244	C	C	.	.			trans	-68.3	113.6	174.7	-177.7	71.1	0	0	0	109.9	P302 L306 C364 L367 L368 T377 A378	P302-L373 HydrophobicContact CB-CD2 4.48Å; L306-L373 HydrophobicContact CB-CD2 3.92Å; L306-L373 HydrophobicContact CD2-CD2 3.65Å; L306-L373 HydrophobicContact CG-CD2 4.4Å; C364-L373 HydrophobicContact CB-CD1 3.98Å; L367-L373 HydrophobicContact CB-CB 4.09Å; L367-L373 HydrophobicContact CB-CD1 4.27Å; L367-L373 PolarHBondContact O-N 3.24Å; L367-L373 VanDerWaalsContact O-N 3.11Å; L368-L373 HydrophobicContact CB-CB 4.23Å; L368-L373 HydrophobicContact CB-CD2 4.21Å; L368-L373 HydrophobicContact CD1-CB 4.5Å; L368-L373 HydrophobicContact CD1-CD2 4.32Å; L373-T377 HydrophobicContact CD1-CG2 3.96Å; L373-A378 HydrophobicContact CD1-CB 4.37Å; L373-A378 HydrophobicContact CD2-CB 3.94Å; L373-A378 HydrophobicContact CG-CB 4.12Å
374	D	96	Very high	97.7	Very high	59 Å²	59	52.4 Å²	52.4	32%	0.316	24%	0.243	S	C	.	.			trans	-86.8	158.1	177.1	77.3	90.9	0	0	0	112	R372 T376 T377 A378	R372-D374 PolarHBondContact O-N 3.22Å; D374-T376 PolarHBondContact O-N 2.67Å; D374-T376 VanDerWaalsContact OD1-CA 3.29Å; D374-T376 WeakPolarHBondContact OD1-CA 3.4Å; D374-T376 WeakPolarHBondContact OD1-CB 3.43Å; D374-T376 PolarHBondContact OD1-N 3.1Å; D374-T376 PolarHBondContact OD1-OG1 3.04Å; D374-T377 PolarHBondContact O-N 3.43Å; D374-T377 PolarHBondContact OD1-N 2.8Å; D374-T377 VanDerWaalsContact OD1-N 3.07Å; D374-T377 WeakPolarHBondContact OD2-CB 3.42Å; D374-T377 PolarHBondContact OD2-OG1 2.92Å; D374-A378 PolarHBondContact O-N 2.93Å
375	P	95.6	Very high	97.7	Very high	65 Å²	65	52.4 Å²	52.4	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-29.1	-179.3	-25.1	33.8	0	0	0	115	P302 S379	P302-P375 HydrophobicContact CG-CB 4.19Å; P302-P375 HydrophobicContact CG-CG 3.94Å; P375-S379 WeakPolarHBondContact O-CB 3.44Å; P375-S379 PolarHBondContact O-N 2.76Å; P375-S379 VanDerWaalsContact O-N 3.1Å; P375-S379 PolarHBondContact O-OG 2.97Å
376	T	97.2	Very high	97.7	Very high	37 Å²	37	52.4 Å²	52.4	23%	0.227	24%	0.244	C	C	.	.	H	α-helix	trans	-71.5	-51.3	-178.8	-42.1	0	0	0	0	109.2	D374 A378 S379 M380 I431	D374-T376 PolarHBondContact O-N 2.67Å; D374-T376 VanDerWaalsContact OD1-CA 3.29Å; D374-T376 WeakPolarHBondContact OD1-CA 3.4Å; D374-T376 WeakPolarHBondContact OD1-CB 3.43Å; D374-T376 PolarHBondContact OD1-N 3.1Å; D374-T376 PolarHBondContact OD1-OG1 3.04Å; T376-A378 PolarHBondContact O-N 2.77Å; T376-S379 WeakPolarHBondContact O-CB 3.37Å; T376-S379 PolarHBondContact O-N 3.17Å; T376-S379 VanDerWaalsContact O-N 3.11Å; T376-M380 HydrophobicContact CG2-CE 4.04Å; T376-M380 WeakPolarHBondContact O-CG 3.47Å; T376-M380 PolarHBondContact O-N 2.94Å; T376-I431 HydrophobicContact CG2-CB 4.47Å; T376-I431 HydrophobicContact CG2-CG1 4.39Å
377	T	98.3	Very high	97.6	Very high	27 Å²	27	53.7 Å²	53.7	17%	0.166	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-44	178	-59.6	0	0	0	0	111.6	F360 L367 L373 D374 S379 M380 A381	F360-T377 HydrophobicContact CZ-CG2 4.12Å; L367-T377 HydrophobicContact CD1-CG2 4.32Å; L373-T377 HydrophobicContact CD1-CG2 3.96Å; D374-T377 PolarHBondContact O-N 3.43Å; D374-T377 PolarHBondContact OD1-N 2.8Å; D374-T377 VanDerWaalsContact OD1-N 3.07Å; D374-T377 WeakPolarHBondContact OD2-CB 3.42Å; D374-T377 PolarHBondContact OD2-OG1 2.92Å; T377-S379 VanDerWaalsContact C-N 3.28Å; T377-S379 PolarHBondContact O-N 2.81Å; T377-M380 WeakPolarHBondContact O-CB 3.48Å; T377-M380 PolarHBondContact O-N 2.81Å; T377-A381 PolarHBondContact O-N 3Å
378	A	98.4	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-39.1	174.4	0	0	0	0	0	112.4	P302 R305 L373 D374 T376 A381 K382	P302-A378 HydrophobicContact CB-CB 3.96Å; P302-A378 WeakPolarHBondContact O-CB 3.17Å; R305-A378 HydrophobicContact CB-CB 4.21Å; L373-A378 HydrophobicContact CD1-CB 4.37Å; L373-A378 HydrophobicContact CD2-CB 3.94Å; L373-A378 HydrophobicContact CG-CB 4.12Å; D374-A378 PolarHBondContact O-N 2.93Å; T376-A378 PolarHBondContact O-N 2.77Å; A378-A381 PolarHBondContact O-N 2.85Å; A378-K382 PolarHBondContact O-N 3.23Å
379	S	98.5	Very high	97.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-37.5	177.1	-56.8	0	0	0	0	112.1	R305 P375 T376 T377 F383	R305-S379 PolarHBondContact NH1-OG 2.74Å; P375-S379 WeakPolarHBondContact O-CB 3.44Å; P375-S379 PolarHBondContact O-N 2.76Å; P375-S379 VanDerWaalsContact O-N 3.1Å; P375-S379 PolarHBondContact O-OG 2.97Å; T376-S379 WeakPolarHBondContact O-CB 3.37Å; T376-S379 PolarHBondContact O-N 3.17Å; T376-S379 VanDerWaalsContact O-N 3.11Å; T377-S379 VanDerWaalsContact C-N 3.28Å; T377-S379 PolarHBondContact O-N 2.81Å; S379-F383 WeakPolarHBondContact O-CB 3.46Å; S379-F383 PolarHBondContact O-N 3Å
380	M	98.7	Very high	97.5	Very high	69 Å²	69	50.3 Å²	50.3	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-46.5	172.9	-66.7	176.1	178.7	0	0	111.1	F360 T376 T377 W384 I431	F360-M380 HydrophobicContact CE1-CB 4.09Å; F360-M380 HydrophobicContact CZ-CB 4.04Å; T376-M380 HydrophobicContact CG2-CE 4.04Å; T376-M380 WeakPolarHBondContact O-CG 3.47Å; T376-M380 PolarHBondContact O-N 2.94Å; T377-M380 WeakPolarHBondContact O-CB 3.48Å; T377-M380 PolarHBondContact O-N 2.81Å; M380-W384 VanDerWaalsContact O-CB 3.27Å; M380-W384 WeakPolarHBondContact O-CB 3.46Å; M380-W384 PolarHBondContact O-N 2.81Å; M380-I431 HydrophobicContact CB-CD1 4.28Å; M380-I431 HydrophobicContact CE-CG1 4.5Å; M380-I431 HydrophobicContact CE-CG2 3.75Å; M380-I431 HydrophobicContact CG-CD1 3.63Å; M380-I431 HydrophobicContact CG-CG1 3.74Å; M380-I431 HydrophobicContact CG-CG2 4.47Å
381	A	98.8	Very high	97.5	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-51.5	-179.9	0	0	0	0	0	110.9	A309 F360 T377 A378 W384 A385	A309-A381 HydrophobicContact CB-CB 3.83Å; F360-A381 HydrophobicContact CD1-CB 4.22Å; F360-A381 HydrophobicContact CE1-CB 3.79Å; T377-A381 PolarHBondContact O-N 3Å; A378-A381 PolarHBondContact O-N 2.85Å; A381-W384 PolarHBondContact O-N 2.79Å; A381-A385 WeakPolarHBondContact O-CB 3.37Å; A381-A385 PolarHBondContact O-N 3.46Å
382	K	98.6	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-48.9	-178.7	-169.4	-90	168.7	-174.7	0	112.2	R305 I308 A378 S386 Q417 F420 G422 N424 M427	R305-K382 HydrophobicContact CB-CB 3.94Å; R305-K382 HydrophobicContact CB-CG 4.26Å; R305-K382 HydrophobicContact CG-CB 4.41Å; R305-K382 HydrophobicContact CG-CG 4.44Å; R305-K382 WeakPolarHBondContact O-CB 3.37Å; I308-K382 HydrophobicContact CB-CG 4.16Å; I308-K382 HydrophobicContact CG2-CG 3.97Å; A378-K382 PolarHBondContact O-N 3.23Å; K382-S386 VanDerWaalsContact O-CB 3.23Å; K382-S386 WeakPolarHBondContact O-CB 3.34Å; K382-S386 PolarHBondContact O-N 3.21Å; K382-S386 VanDerWaalsContact O-N 3.16Å; K382-S386 PolarHBondContact O-OG 2.95Å; K382-Q417 VanDerWaalsContact CE-O 3.25Å; K382-Q417 WeakPolarHBondContact CE-O 3.48Å; K382-Q417 PolarHBondContact NZ-O 2.67Å; K382-F420 WeakPolarHBondContact CE-O 3.28Å; K382-F420 PolarHBondContact NZ-O 2.68Å; K382-F420 VanDerWaalsContact NZ-O 3.12Å; K382-G422 PolarHBondContact NZ-O 3.39Å; K382-N424 PolarHBondContact NZ-OD1 3.17Å; K382-M427 HydrophobicContact CB-SD 4.23Å; K382-M427 HydrophobicContact CD-CG 3.72Å; K382-M427 HydrophobicContact CD-SD 3.89Å; K382-M427 HydrophobicContact CG-SD 4.43Å
383	F	98.3	Very high	97.5	Very high	39 Å²	39	30.7 Å²	30.7	17%	0.171	15%	0.153	C	C	.	.	H	α-helix	trans	-55.9	-56.6	179	158.2	-124	0	0	0	111	S379 S386 E387 N424 M427 K428 I431	S379-F383 WeakPolarHBondContact O-CB 3.46Å; S379-F383 PolarHBondContact O-N 3Å; F383-S386 PolarHBondContact O-OG 2.94Å; F383-S386 VanDerWaalsContact O-OG 3.06Å; F383-E387 HydrophobicContact CE2-CB 4.49Å; F383-E387 VanDerWaalsContact CE2-OE2 3.25Å; F383-E387 WeakPolarHBondContact CE2-OE2 3.33Å; F383-E387 WeakPolarHBondContact O-CB 3.25Å; F383-E387 PolarHBondContact O-N 3.19Å; F383-E387 VanDerWaalsContact O-N 3.13Å; F383-N424 HydrophobicContact CD2-CB 3.73Å; F383-N424 HydrophobicContact CE2-CB 4.34Å; F383-N424 PolarHBondContact O-ND2 3.29Å; F383-M427 HydrophobicContact CB-CB 3.69Å; F383-M427 HydrophobicContact CB-CG 4.14Å; F383-K428 HydrophobicContact CE2-CD 4.41Å; F383-I431 HydrophobicContact CD1-CD1 4.48Å
384	W	98.5	Very high	97.4	Very high	97 Å²	97	33.8 Å²	33.8	37%	0.367	17%	0.173	S	C	.	.	H	α-helix	trans	-69.9	-45.5	-170	-173.7	95.6	0	0	0	111.5	E353 M380 A381 S386 E387 L388	E353-W384 WeakPolarHBondContact O-CH2 3.35Å; M380-W384 VanDerWaalsContact O-CB 3.27Å; M380-W384 WeakPolarHBondContact O-CB 3.46Å; M380-W384 PolarHBondContact O-N 2.81Å; A381-W384 PolarHBondContact O-N 2.79Å; W384-S386 PolarHBondContact O-N 3.37Å; W384-E387 PolarHBondContact O-N 3.06Å; W384-L388 HydrophobicContact CE3-CB 4.43Å; W384-L388 HydrophobicContact CE3-CD2 4.5Å; W384-L388 HydrophobicContact CH2-CB 4.42Å; W384-L388 HydrophobicContact CH2-CD2 3.46Å; W384-L388 VanDerWaalsContact CH2-CD2 3.46Å; W384-L388 HydrophobicContact CH2-CG 4.4Å; W384-L388 HydrophobicContact CZ2-CD2 4.43Å; W384-L388 HydrophobicContact CZ3-CB 4.14Å; W384-L388 HydrophobicContact CZ3-CD2 3.47Å; W384-L388 VanDerWaalsContact CZ3-CD2 3.47Å; W384-L388 HydrophobicContact CZ3-CG 4.39Å; W384-L388 WeakPolarHBondContact O-CB 3.45Å; W384-L388 PolarHBondContact O-N 3.38Å
385	A	98.5	Very high	97.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-39.6	-178.1	0	0	0	0	0	112	A309 A312 A381 L388 Q389	A309-A385 HydrophobicContact CB-CB 4.07Å; A312-A385 HydrophobicContact CB-CB 4.09Å; A381-A385 WeakPolarHBondContact O-CB 3.37Å; A381-A385 PolarHBondContact O-N 3.46Å; A385-L388 PolarHBondContact O-N 2.82Å; A385-Q389 PolarHBondContact O-N 2.93Å
386	S	97.9	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70	-32.1	177.6	64.5	0	0	0	0	113.4	K382 F383 W384 N390 N424	K382-S386 VanDerWaalsContact O-CB 3.23Å; K382-S386 WeakPolarHBondContact O-CB 3.34Å; K382-S386 PolarHBondContact O-N 3.21Å; K382-S386 VanDerWaalsContact O-N 3.16Å; K382-S386 PolarHBondContact O-OG 2.95Å; F383-S386 PolarHBondContact O-OG 2.94Å; F383-S386 VanDerWaalsContact O-OG 3.06Å; W384-S386 PolarHBondContact O-N 3.37Å; S386-N390 PolarHBondContact O-N 3.44Å; S386-N424 PolarHBondContact OG-ND2 3.2Å; S386-N424 VanDerWaalsContact OG-ND2 3.12Å; S386-N424 PolarHBondContact OG-OD1 3.47Å
387	E	97.5	Very high	97.4	Very high	101 Å²	101	31 Å²	31	47%	0.472	15%	0.151	S	C	.	.	H	α-helix	trans	-70.3	-44.3	172.8	-169.9	167.4	113.6	0	0	111	F383 W384 Q389 N390 K391	F383-E387 HydrophobicContact CE2-CB 4.49Å; F383-E387 VanDerWaalsContact CE2-OE2 3.25Å; F383-E387 WeakPolarHBondContact CE2-OE2 3.33Å; F383-E387 WeakPolarHBondContact O-CB 3.25Å; F383-E387 PolarHBondContact O-N 3.19Å; F383-E387 VanDerWaalsContact O-N 3.13Å; W384-E387 PolarHBondContact O-N 3.06Å; E387-Q389 VanDerWaalsContact C-N 3.31Å; E387-Q389 PolarHBondContact O-N 3.39Å; E387-N390 PolarHBondContact O-N 3.02Å; E387-K391 PolarHBondContact O-N 2.96Å; E387-K391 VanDerWaalsContact O-N 3.16Å
388	L	98.1	Very high	97.3	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-57.5	-44.4	174.5	178	63.4	0	0	0	111.3	I313 E353 I354 W384 A385 N390 K391 V392	I313-L388 HydrophobicContact CD1-CD2 3.9Å; E353-L388 HydrophobicContact CB-CD1 3.81Å; E353-L388 HydrophobicContact CB-CD2 4.35Å; E353-L388 VanDerWaalsContact OE2-CD1 3.27Å; E353-L388 WeakPolarHBondContact OE2-CD1 3.44Å; I354-L388 HydrophobicContact CG1-CD2 4.3Å; W384-L388 HydrophobicContact CE3-CB 4.43Å; W384-L388 HydrophobicContact CE3-CD2 4.5Å; W384-L388 HydrophobicContact CH2-CB 4.42Å; W384-L388 HydrophobicContact CH2-CD2 3.46Å; W384-L388 VanDerWaalsContact CH2-CD2 3.46Å; W384-L388 HydrophobicContact CH2-CG 4.4Å; W384-L388 HydrophobicContact CZ2-CD2 4.43Å; W384-L388 HydrophobicContact CZ3-CB 4.14Å; W384-L388 HydrophobicContact CZ3-CD2 3.47Å; W384-L388 VanDerWaalsContact CZ3-CD2 3.47Å; W384-L388 HydrophobicContact CZ3-CG 4.39Å; W384-L388 WeakPolarHBondContact O-CB 3.45Å; W384-L388 PolarHBondContact O-N 3.38Å; A385-L388 PolarHBondContact O-N 2.82Å; L388-N390 VanDerWaalsContact C-N 3.27Å; L388-N390 PolarHBondContact O-N 3.48Å; L388-K391 CarbonylContact O-C 3.45Å; L388-K391 WeakPolarHBondContact O-CA 3.33Å; L388-K391 WeakPolarHBondContact O-CB 3.4Å; L388-K391 PolarHBondContact O-N 3.24Å; L388-V392 HydrophobicContact CD1-CG2 3.79Å; L388-V392 HydrophobicContact CG-CG2 3.92Å; L388-V392 WeakPolarHBondContact O-CG2 3.23Å; L388-V392 PolarHBondContact O-N 2.99Å
389	Q	97.3	Very high	97.3	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-55.6	-42.3	179.4	-169.1	-167.4	-3.3	0	0	112.6	A312 S315 C316 M319 A385 E387 V392 A393 Q417	A312-Q389 HydrophobicContact CB-CB 4.23Å; S315-Q389 PolarHBondContact OG-NE2 3.25Å; C316-Q389 WeakPolarHBondContact SG-CA 3.32Å; M319-Q389 HydrophobicContact CE-CG 3.86Å; A385-Q389 PolarHBondContact O-N 2.93Å; E387-Q389 VanDerWaalsContact C-N 3.31Å; E387-Q389 PolarHBondContact O-N 3.39Å; Q389-V392 PolarHBondContact O-N 2.98Å; Q389-A393 VanDerWaalsContact O-CB 3.31Å; Q389-A393 WeakPolarHBondContact O-CB 3.12Å; Q389-A393 PolarHBondContact O-N 3.23Å; Q389-Q417 VanDerWaalsContact OE1-CB 3.24Å; Q389-Q417 VanDerWaalsContact OE1-CD 3.3Å
390	N	95.6	Very high	97.2	Very high	24 Å²	24	38 Å²	38	13%	0.128	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-38.5	175.9	-87.6	-32.3	0	0	0	113.1	S386 E387 L388 T394 S414 P418	S386-N390 PolarHBondContact O-N 3.44Å; E387-N390 PolarHBondContact O-N 3.02Å; L388-N390 VanDerWaalsContact C-N 3.27Å; L388-N390 PolarHBondContact O-N 3.48Å; N390-T394 WeakPolarHBondContact O-CB 3.38Å; N390-T394 PolarHBondContact O-N 2.87Å; N390-T394 PolarHBondContact O-OG1 3.41Å; N390-S414 PolarHBondContact OD1-O 2.84Å; N390-S414 PolarHBondContact OD1-OG 3.4Å; N390-P418 WeakPolarHBondContact ND2-CD 3.42Å; N390-P418 WeakPolarHBondContact ND2-CG 3.37Å
391	K	96.6	Very high	97	Very high	86 Å²	86	36.3 Å²	36.3	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-49.8	174.1	179.6	-178.8	174.3	-174.3	0	110.8	E353 E387 L388 T394 Q395	E353-K391 IonicContact OE1-NZ 3.57Å; E353-K391 PolarHBondContact OE1-NZ 3.43Å; E353-K391 VanDerWaalsContact OE2-CE 3.3Å; E353-K391 WeakPolarHBondContact OE2-CE 3.41Å; E353-K391 IonicContact OE2-NZ 3.58Å; E353-K391 PolarHBondContact OE2-NZ 2.91Å; E387-K391 PolarHBondContact O-N 2.96Å; E387-K391 VanDerWaalsContact O-N 3.16Å; L388-K391 CarbonylContact O-C 3.45Å; L388-K391 WeakPolarHBondContact O-CA 3.33Å; L388-K391 WeakPolarHBondContact O-CB 3.4Å; L388-K391 PolarHBondContact O-N 3.24Å; K391-T394 PolarHBondContact O-N 2.9Å; K391-Q395 WeakPolarHBondContact O-CG 3.42Å; K391-Q395 PolarHBondContact O-N 3.44Å
392	V	97	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-50.6	178.8	174.7	0	0	0	0	110	C316 M319 L350 I354 L388 Q389 T394 Q395 C396	C316-V392 HydrophobicContact CB-CB 4.36Å; C316-V392 HydrophobicContact CB-CG1 4.23Å; C316-V392 HydrophobicContact CB-CG2 4.07Å; M319-V392 HydrophobicContact CB-CG1 4.1Å; M319-V392 HydrophobicContact CE-CB 4.24Å; M319-V392 HydrophobicContact CE-CG1 3.97Å; L350-V392 HydrophobicContact CD2-CG2 4.09Å; I354-V392 HydrophobicContact CD1-CG1 4.41Å; I354-V392 HydrophobicContact CD1-CG2 4.19Å; I354-V392 HydrophobicContact CG1-CG2 4.21Å; L388-V392 HydrophobicContact CD1-CG2 3.79Å; L388-V392 HydrophobicContact CG-CG2 3.92Å; L388-V392 WeakPolarHBondContact O-CG2 3.23Å; L388-V392 PolarHBondContact O-N 2.99Å; Q389-V392 PolarHBondContact O-N 2.98Å; V392-T394 VanDerWaalsContact C-N 3.3Å; V392-T394 PolarHBondContact O-N 3.02Å; V392-Q395 PolarHBondContact O-N 3.27Å; V392-C396 VanDerWaalsContact O-CB 3.23Å; V392-C396 WeakPolarHBondContact O-CB 3.43Å; V392-C396 PolarHBondContact O-N 3.37Å; V392-C396 PolarHBondContact O-SG 3.37Å
393	A	95.3	Very high	96.4	Very high	6 Å²	6	44.8 Å²	44.8	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-55.4	-45	177.6	0	0	0	0	0	112.4	M319 Q389 L397 S414	M319-A393 HydrophobicContact CE-CB 3.99Å; M319-A393 VanDerWaalsContact SD-CA 3.58Å; M319-A393 HydrophobicContact SD-CB 3.58Å; M319-A393 VanDerWaalsContact SD-CB 3.58Å; Q389-A393 VanDerWaalsContact O-CB 3.31Å; Q389-A393 WeakPolarHBondContact O-CB 3.12Å; Q389-A393 PolarHBondContact O-N 3.23Å; A393-L397 VanDerWaalsContact O-CB 3.25Å; A393-L397 WeakPolarHBondContact O-CB 3.17Å; A393-L397 PolarHBondContact O-N 3.35Å; A393-S414 WeakPolarHBondContact CB-OG 3.5Å
394	T	95.4	Very high	96.1	Very high	86 Å²	86	43 Å²	43	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-62.4	-45.7	178.8	-58.5	0	0	0	0	111.8	N390 K391 V392 Q398	N390-T394 WeakPolarHBondContact O-CB 3.38Å; N390-T394 PolarHBondContact O-N 2.87Å; N390-T394 PolarHBondContact O-OG1 3.41Å; K391-T394 PolarHBondContact O-N 2.9Å; V392-T394 VanDerWaalsContact C-N 3.3Å; V392-T394 PolarHBondContact O-N 3.02Å; T394-Q398 PolarHBondContact O-N 3.33Å; T394-Q398 VanDerWaalsContact O-N 3.11Å
395	Q	97.1	Very high	95.8	Very high	53 Å²	53	47.5 Å²	47.5	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-71.4	-40.6	-179.3	-63.4	-60.1	-52.7	0	0	111.8	K346 L350 K391 V392 Q398 L399	K346-Q395 HydrophobicContact CD-CB 4.28Å; K346-Q395 HydrophobicContact CD-CG 4.12Å; K346-Q395 VanDerWaalsContact CD-OE1 3.29Å; L350-Q395 HydrophobicContact CD1-CB 3.88Å; L350-Q395 HydrophobicContact CD2-CB 4.09Å; L350-Q395 HydrophobicContact CD2-CG 4.17Å; L350-Q395 HydrophobicContact CG-CB 4.5Å; K391-Q395 WeakPolarHBondContact O-CG 3.42Å; K391-Q395 PolarHBondContact O-N 3.44Å; V392-Q395 PolarHBondContact O-N 3.27Å; Q395-Q398 WeakPolarHBondContact O-CB 3.44Å; Q395-Q398 PolarHBondContact O-N 2.65Å; Q395-L399 WeakPolarHBondContact O-CG 3.37Å; Q395-L399 PolarHBondContact O-N 3.1Å
396	C	96.3	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-42.8	175.5	-73.8	0	0	0	0	111.4	M319 T323 V392 Q398 L399 H400 I411	M319-C396 HydrophobicContact CB-CB 4.49Å; T323-C396 HydrophobicContact CG2-CB 4.43Å; T323-C396 WeakPolarHBondContact OG1-CB 3.46Å; T323-C396 PolarHBondContact OG1-SG 3.17Å; V392-C396 VanDerWaalsContact O-CB 3.23Å; V392-C396 WeakPolarHBondContact O-CB 3.43Å; V392-C396 PolarHBondContact O-N 3.37Å; V392-C396 PolarHBondContact O-SG 3.37Å; C396-Q398 VanDerWaalsContact C-N 3.35Å; C396-Q398 PolarHBondContact O-N 3.45Å; C396-L399 PolarHBondContact O-N 3.34Å; C396-H400 PolarHBondContact O-N 2.96Å; C396-H400 VanDerWaalsContact O-N 3.12Å; C396-H400 PolarHBondContact O-ND1 3.05Å; C396-I411 HydrophobicContact CB-CG2 3.46Å; C396-I411 VanDerWaalsContact CB-CG2 3.46Å
397	L	95.4	Very high	94.8	Very high	49 Å²	49	58.9 Å²	58.9	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-56.8	-49.9	172.6	-176.8	160	0	0	0	110.5	A393 L399 H400 G401 G404 I411 A412	A393-L397 VanDerWaalsContact O-CB 3.25Å; A393-L397 WeakPolarHBondContact O-CB 3.17Å; A393-L397 PolarHBondContact O-N 3.35Å; L397-L399 VanDerWaalsContact C-N 3.3Å; L397-L399 PolarHBondContact O-N 3.11Å; L397-H400 PolarHBondContact O-N 3.17Å; L397-H400 VanDerWaalsContact O-N 3.09Å; L397-G401 PolarHBondContact O-N 3.12Å; L397-G404 WeakPolarHBondContact CG-O 3.5Å; L397-I411 HydrophobicContact CB-CG2 4.45Å; L397-A412 HydrophobicContact CD1-CB 3.9Å
398	Q	96.4	Very high	94.2	Very high	135 Å²	135	60.2 Å²	60.2	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-59.3	-39.8	179.6	-175.4	61	47.6	0	0	112.4	T394 Q395 C396 H400 G401	T394-Q398 PolarHBondContact O-N 3.33Å; T394-Q398 VanDerWaalsContact O-N 3.11Å; Q395-Q398 WeakPolarHBondContact O-CB 3.44Å; Q395-Q398 PolarHBondContact O-N 2.65Å; C396-Q398 VanDerWaalsContact C-N 3.35Å; C396-Q398 PolarHBondContact O-N 3.45Å; Q398-H400 VanDerWaalsContact C-N 3.28Å; Q398-H400 PolarHBondContact O-N 3.47Å; Q398-G401 PolarHBondContact O-N 3.17Å; Q398-G401 VanDerWaalsContact O-N 3.09Å
399	L	96.9	Very high	93.5	Very high	32 Å²	32	63.7 Å²	63.7	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-68.6	-25.7	178.1	-71.5	174	0	0	0	113.1	T323 V327 V343 K346 L347 Q395 C396 L397 G401	T323-L399 HydrophobicContact CG2-CB 3.68Å; T323-L399 HydrophobicContact CG2-CD1 3.73Å; T323-L399 HydrophobicContact CG2-CG 4.37Å; V327-L399 HydrophobicContact CG1-CB 4.39Å; V343-L399 HydrophobicContact CB-CD2 4.42Å; V343-L399 HydrophobicContact CG1-CD2 4.15Å; V343-L399 HydrophobicContact CG2-CD2 4.05Å; K346-L399 HydrophobicContact CG-CD1 4.13Å; L347-L399 HydrophobicContact CD2-CD1 3.96Å; L347-L399 HydrophobicContact CG-CD1 4.47Å; Q395-L399 WeakPolarHBondContact O-CG 3.37Å; Q395-L399 PolarHBondContact O-N 3.1Å; C396-L399 PolarHBondContact O-N 3.34Å; L397-L399 VanDerWaalsContact C-N 3.3Å; L397-L399 PolarHBondContact O-N 3.11Å; L399-G401 VanDerWaalsContact C-N 3.32Å
400	H	96.6	Very high	92.5	Very high	7 Å²	7	66.4 Å²	66.4	3%	0.032	33%	0.331	C	S	.	.	H	α-helix	trans	-77.7	-18.4	171.2	-75.1	81.1	0	0	0	113.1	T323 Y326 C396 L397 Q398 G404 Y409 I411	T323-H400 VanDerWaalsContact CA-CE1 3.44Å; T323-H400 WeakPolarHBondContact CA-CE1 3.41Å; T323-H400 PolarHBondContact OG1-CE1 3.06Å; T323-H400 VanDerWaalsContact OG1-CE1 3.22Å; Y326-H400 WeakPolarHBondContact CB-NE2 3.29Å; Y326-H400 AromaticContact CD1-CD2 3.6Å; Y326-H400 AromaticContact CD1-CG 3.98Å; Y326-H400 AromaticContact CD1-NE2 3.99Å; Y326-H400 AromaticContact CD2-CD2 3.75Å; Y326-H400 HydrophobicContact CE1-CB 4.27Å; Y326-H400 AromaticContact CE1-CD2 4Å; Y326-H400 AromaticContact CG-CD2 3.46Å; Y326-H400 VanDerWaalsContact CG-CD2 3.46Å; Y326-H400 AromaticContact CG-NE2 3.6Å; Y326-H400 PolarHBondContact OH-O 3.39Å; Y326-H400 VanDerWaalsContact OH-O 3.11Å; C396-H400 PolarHBondContact O-N 2.96Å; C396-H400 VanDerWaalsContact O-N 3.12Å; C396-H400 PolarHBondContact O-ND1 3.05Å; L397-H400 PolarHBondContact O-N 3.17Å; L397-H400 VanDerWaalsContact O-N 3.09Å; Q398-H400 VanDerWaalsContact C-N 3.28Å; Q398-H400 PolarHBondContact O-N 3.47Å; H400-G404 VanDerWaalsContact CB-CA 3.44Å; H400-Y409 AromaticContact CD2-CD1 3.81Å; H400-I411 VanDerWaalsContact CE1-CD1 3.45Å; H400-I411 WeakPolarHBondContact CE1-CD1 3.2Å; H400-I411 VanDerWaalsContact CE1-CG1 3.46Å; H400-I411 WeakPolarHBondContact CE1-CG1 3.39Å
401	G	94.6	Very high	91.6	Very high	34 Å²	34	65.4 Å²	65.4	35%	0.351	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	66	-139.6	-176.7	0	0	0	0	0	111.4	L397 Q398 L399 W403 G404	L397-G401 PolarHBondContact O-N 3.12Å; Q398-G401 PolarHBondContact O-N 3.17Å; Q398-G401 VanDerWaalsContact O-N 3.09Å; L399-G401 VanDerWaalsContact C-N 3.32Å; G401-W403 PolarHBondContact O-N 3.21Å; G401-W403 VanDerWaalsContact O-N 3.17Å; G401-G404 PolarHBondContact O-N 3.1Å
402	G	93.8	Very high	90.1	Very high	63 Å²	63	63.5 Å²	63.5	65%	0.649	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-55.3	-35.2	179.9	0	0	0	0	0	113.5	G404 Y405 M406	G402-G404 VanDerWaalsContact C-N 3.29Å; G402-G404 PolarHBondContact O-N 3.07Å; G402-Y405 WeakPolarHBondContact O-CB 3.44Å; G402-Y405 PolarHBondContact O-N 2.83Å; G402-Y405 VanDerWaalsContact O-N 3.16Å; G402-M406 WeakPolarHBondContact O-CG 3.34Å
403	W	92.6	Very high	88.6	Confident	115 Å²	115	65 Å²	65	44%	0.436	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-65.7	-29.5	176.6	-77	119.3	0	0	0	113.6	G401 Y405 M406 Y409	G401-W403 PolarHBondContact O-N 3.21Å; G401-W403 VanDerWaalsContact O-N 3.17Å; W403-Y405 PolarHBondContact O-N 3.36Å; W403-M406 HydrophobicContact CE3-CB 4.24Å; W403-M406 HydrophobicContact CE3-CG 4.26Å; W403-M406 PolarHBondContact O-N 2.56Å; W403-M406 VanDerWaalsContact O-N 3.09Å; W403-Y409 HydrophobicContact CB-CD2 3.68Å; W403-Y409 HydrophobicContact CB-CE2 3.71Å; W403-Y409 HydrophobicContact CB-CG 4.39Å; W403-Y409 HydrophobicContact CD2-CD2 4.17Å; W403-Y409 AromaticContact CD2-CE2 3.64Å; W403-Y409 HydrophobicContact CD2-CE2 3.64Å; W403-Y409 AromaticContact CE3-CD2 3.85Å; W403-Y409 HydrophobicContact CE3-CD2 3.85Å; W403-Y409 AromaticContact CE3-CE2 3.56Å; W403-Y409 HydrophobicContact CE3-CE2 3.56Å; W403-Y409 HydrophobicContact CG-CD2 4.16Å; W403-Y409 AromaticContact CG-CE2 3.73Å; W403-Y409 HydrophobicContact CG-CE2 3.73Å; W403-Y409 HydrophobicContact CZ3-CE2 4.38Å
404	G	91.9	Very high	87.2	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.021	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-67.2	-20.9	176	0	0	0	0	0	113.2	L397 H400 G401 G402 M406	L397-G404 WeakPolarHBondContact CG-O 3.5Å; H400-G404 VanDerWaalsContact CB-CA 3.44Å; G401-G404 PolarHBondContact O-N 3.1Å; G402-G404 VanDerWaalsContact C-N 3.29Å; G402-G404 PolarHBondContact O-N 3.07Å; G404-M406 VanDerWaalsContact C-N 3.35Å
405	Y	90.9	Very high	86.7	Confident	191 Å²	191	68.1 Å²	68.1	75%	0.749	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-83.4	-13.6	175.4	-167.2	-106.3	0	0	0	112.9	G402 W403	G402-Y405 WeakPolarHBondContact O-CB 3.44Å; G402-Y405 PolarHBondContact O-N 2.83Å; G402-Y405 VanDerWaalsContact O-N 3.16Å; W403-Y405 PolarHBondContact O-N 3.36Å
406	M	91.1	Very high	86.4	Confident	86 Å²	86	67.5 Å²	67.5	42%	0.424	34%	0.336	S	S	.	.	S	Bend	trans	-98.2	144.8	-174.5	-57.2	-54.4	-58.7	0	0	111.1	G402 W403 G404 E408 Y409	G402-M406 WeakPolarHBondContact O-CG 3.34Å; W403-M406 HydrophobicContact CE3-CB 4.24Å; W403-M406 HydrophobicContact CE3-CG 4.26Å; W403-M406 PolarHBondContact O-N 2.56Å; W403-M406 VanDerWaalsContact O-N 3.09Å; G404-M406 VanDerWaalsContact C-N 3.35Å; M406-E408 VanDerWaalsContact CB-OE2 3.29Å; M406-E408 WeakPolarHBondContact CB-OE2 3.24Å; M406-E408 PolarHBondContact O-N 3.07Å; M406-Y409 PolarHBondContact O-N 3.2Å
407	W	85	Confident	86.3	Confident	155 Å²	155	68 Å²	68	59%	0.587	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.2	-176.6	-76.9	104.7	0	0	0	114.2	Y409	W407-Y409 PolarHBondContact O-N 3.11Å
408	E	85.3	Confident	86.3	Confident	129 Å²	129	66.4 Å²	66.4	60%	0.603	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	173.8	-69.5	78.3	-178.3	0	0	112.9	M406	M406-E408 VanDerWaalsContact CB-OE2 3.29Å; M406-E408 WeakPolarHBondContact CB-OE2 3.24Å; M406-E408 PolarHBondContact O-N 3.07Å
409	Y	82.3	Confident	86.4	Confident	81 Å²	81	64.4 Å²	64.4	32%	0.318	32%	0.323	S	S	.	.	S	Bend	trans	-113.1	118.4	175.5	-74.5	-91.5	0	0	0	110.2	Y326 H400 W403 M406 W407 I411	Y326-Y409 AromaticContact CD2-CE1 3.81Å; Y326-Y409 HydrophobicContact CD2-CE1 3.81Å; Y326-Y409 HydrophobicContact CE2-CE1 4.02Å; H400-Y409 AromaticContact CD2-CD1 3.81Å; W403-Y409 HydrophobicContact CB-CD2 3.68Å; W403-Y409 HydrophobicContact CB-CE2 3.71Å; W403-Y409 HydrophobicContact CB-CG 4.39Å; W403-Y409 HydrophobicContact CD2-CD2 4.17Å; W403-Y409 AromaticContact CD2-CE2 3.64Å; W403-Y409 HydrophobicContact CD2-CE2 3.64Å; W403-Y409 AromaticContact CE3-CD2 3.85Å; W403-Y409 HydrophobicContact CE3-CD2 3.85Å; W403-Y409 AromaticContact CE3-CE2 3.56Å; W403-Y409 HydrophobicContact CE3-CE2 3.56Å; W403-Y409 HydrophobicContact CG-CD2 4.16Å; W403-Y409 AromaticContact CG-CE2 3.73Å; W403-Y409 HydrophobicContact CG-CE2 3.73Å; W403-Y409 HydrophobicContact CZ3-CE2 4.38Å; M406-Y409 PolarHBondContact O-N 3.2Å; W407-Y409 PolarHBondContact O-N 3.11Å; Y409-I411 PolarHBondContact O-N 3.35Å
410	P	75.7	Confident	86.2	Confident	61 Å²	61	66.2 Å²	66.2	40%	0.396	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	56.1	-164.1	42.2	-42.2	0	0	0	110.8	N141 F318	N141-P410 WeakPolarHBondContact ND2-CB 3.5Å; N141-P410 PolarHBondContact ND2-O 2.77Å; F318-P410 HydrophobicContact CZ-CG 4.4Å
411	I	78.6	Confident	86.1	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-21.7	-173	-59.6	-65.7	0	0	0	112.5	E322 C396 L397 H400 Y409	E322-I411 HydrophobicContact CB-CD1 3.87Å; C396-I411 HydrophobicContact CB-CG2 3.46Å; C396-I411 VanDerWaalsContact CB-CG2 3.46Å; L397-I411 HydrophobicContact CB-CG2 4.45Å; H400-I411 VanDerWaalsContact CE1-CD1 3.45Å; H400-I411 WeakPolarHBondContact CE1-CD1 3.2Å; H400-I411 VanDerWaalsContact CE1-CG1 3.46Å; H400-I411 WeakPolarHBondContact CE1-CG1 3.39Å; Y409-I411 PolarHBondContact O-N 3.35Å
412	A	64.4	Low	86.1	Confident	46 Å²	46	66.1 Å²	66.1	38%	0.38	33%	0.331	S	S	.	.			trans	-115.8	84.7	-166.8	0	0	0	0	0	112.4	L397	L397-A412 HydrophobicContact CD1-CB 3.9Å
413	N	65.3	Low	86.3	Confident	31 Å²	31	64.5 Å²	64.5	17%	0.166	31%	0.308	C	S	.	.			trans	-154.8	44.7	172.9	-157.4	-3.5	0	0	0	115	G265 L266	G265-N413 WeakPolarHBondContact CA-OD1 3.34Å; L266-N413 PolarHBondContact N-OD1 3.37Å
414	S	66.1	Low	86.6	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.063	29%	0.288	C	S	.	.			trans	-112.4	7	-171	65.1	0	0	0	0	115.9	N390 A393 V416 Q417	N390-S414 PolarHBondContact OD1-O 2.84Å; N390-S414 PolarHBondContact OD1-OG 3.4Å; A393-S414 WeakPolarHBondContact CB-OG 3.5Å; S414-V416 VanDerWaalsContact C-N 3.32Å; S414-V416 PolarHBondContact O-N 3.48Å; S414-Q417 PolarHBondContact O-OE1 2.78Å
415	R	85	Confident	86.8	Confident	149 Å²	149	64.4 Å²	64.4	56%	0.562	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.7	-163.1	-173.5	56.9	-176.3	137.9	0.2	114.3	I264	I264-R415 HydrophobicContact CD1-CB 3.64Å; I264-R415 HydrophobicContact CD1-CG 3.58Å
416	V	91.3	Very high	87.1	Confident	41 Å²	41	57.7 Å²	57.7	25%	0.248	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-21	-171	70.2	0	0	0	0	113.5	L266 S414 I419 F420	L266-V416 HydrophobicContact CD1-CG1 3.59Å; L266-V416 HydrophobicContact CD2-CG1 4.44Å; L266-V416 HydrophobicContact CG-CG1 3.87Å; S414-V416 VanDerWaalsContact C-N 3.32Å; S414-V416 PolarHBondContact O-N 3.48Å; V416-I419 WeakPolarHBondContact O-CA 3.43Å; V416-I419 VanDerWaalsContact O-CB 3.3Å; V416-I419 WeakPolarHBondContact O-CB 3.28Å; V416-I419 PolarHBondContact O-N 2.88Å; V416-F420 HydrophobicContact CG2-CD1 4.41Å; V416-F420 WeakPolarHBondContact O-CD1 3.23Å; V416-F420 PolarHBondContact O-N 3.24Å
417	Q	93.1	Very high	87.5	Confident	11 Å²	11	53.6 Å²	53.6	5%	0.051	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.5	-169.5	-77.1	78.4	-2.7	0	0	114.9	K382 Q389 S414 I419 F420	K382-Q417 VanDerWaalsContact CE-O 3.25Å; K382-Q417 WeakPolarHBondContact CE-O 3.48Å; K382-Q417 PolarHBondContact NZ-O 2.67Å; Q389-Q417 VanDerWaalsContact OE1-CB 3.24Å; Q389-Q417 VanDerWaalsContact OE1-CD 3.3Å; S414-Q417 PolarHBondContact O-OE1 2.78Å; Q417-I419 PolarHBondContact O-N 3.5Å; Q417-I419 VanDerWaalsContact O-N 3.16Å; Q417-F420 HydrophobicContact CB-CE1 4.31Å; Q417-F420 HydrophobicContact CG-CE1 3.97Å
418	P	96.3	Very high	88.1	Confident	15 Å²	15	50.5 Å²	50.5	10%	0.097	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-5.1	171.4	-29	39.9	0	0	0	116.3	N390 T423 N424	N390-P418 WeakPolarHBondContact ND2-CD 3.42Å; N390-P418 WeakPolarHBondContact ND2-CG 3.37Å; P418-T423 CarbonylContact O-C 3.54Å; P418-T423 VanDerWaalsContact O-CA 3.23Å; P418-T423 WeakPolarHBondContact O-CA 3.28Å; P418-N424 WeakPolarHBondContact CA-OD1 3.22Å; P418-N424 HydrophobicContact CB-CB 4.4Å; P418-N424 PolarHBondContact O-N 2.83Å; P418-N424 PolarHBondContact O-OD1 2.88Å
419	I	96.9	Very high	88.6	Confident	92 Å²	92	49.3 Å²	49.3	47%	0.472	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-58	-168.1	-55.6	174.3	0	0	0	111.3	V416 Q417 G422 T423	V416-I419 WeakPolarHBondContact O-CA 3.43Å; V416-I419 VanDerWaalsContact O-CB 3.3Å; V416-I419 WeakPolarHBondContact O-CB 3.28Å; V416-I419 PolarHBondContact O-N 2.88Å; Q417-I419 PolarHBondContact O-N 3.5Å; Q417-I419 VanDerWaalsContact O-N 3.16Å; I419-G422 CarbonylContact O-C 3.41Å; I419-T423 PolarHBondContact O-N 2.82Å
420	F	94.3	Very high	89.2	Confident	70 Å²	70	47.4 Å²	47.4	31%	0.307	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	162.8	-178.4	82.5	-43.2	0	0	0	112.8	I308 K382 V416 Q417 G422	I308-F420 HydrophobicContact CD1-CD2 4.46Å; I308-F420 HydrophobicContact CD1-CE1 4.22Å; I308-F420 HydrophobicContact CD1-CE2 4.21Å; I308-F420 HydrophobicContact CD1-CZ 4.09Å; I308-F420 HydrophobicContact CG1-CE1 4.26Å; I308-F420 HydrophobicContact CG1-CE2 4.27Å; I308-F420 HydrophobicContact CG1-CZ 3.88Å; I308-F420 HydrophobicContact CG2-CE1 3.82Å; I308-F420 HydrophobicContact CG2-CZ 4.14Å; K382-F420 WeakPolarHBondContact CE-O 3.28Å; K382-F420 PolarHBondContact NZ-O 2.68Å; K382-F420 VanDerWaalsContact NZ-O 3.12Å; V416-F420 HydrophobicContact CG2-CD1 4.41Å; V416-F420 WeakPolarHBondContact O-CD1 3.23Å; V416-F420 PolarHBondContact O-N 3.24Å; Q417-F420 HydrophobicContact CB-CE1 4.31Å; Q417-F420 HydrophobicContact CG-CE1 3.97Å; F420-G422 PolarHBondContact O-N 3.49Å
421	G	93.3	Very high	90.2	Very high	13 Å²	13	45.6 Å²	45.6	13%	0.134	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	17.2	-168.5	0	0	0	0	0	114.1	E304	E304-G421 WeakPolarHBondContact OE1-CA 3.42Å
422	G	95.3	Very high	91.1	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	25%	0.251	S	S	.	.	S	Bend	trans	93.8	132.6	-168.9	0	0	0	0	0	111.7	K382 I419 F420	K382-G422 PolarHBondContact NZ-O 3.39Å; I419-G422 CarbonylContact O-C 3.41Å; F420-G422 PolarHBondContact O-N 3.49Å
423	T	97.8	Very high	92.5	Very high	29 Å²	29	53.1 Å²	53.1	18%	0.178	26%	0.263	C	S	.	.			trans	-64.4	158.9	-177.7	68.9	0	0	0	0	111.6	P418 I419 E425 I426 M427	P418-T423 CarbonylContact O-C 3.54Å; P418-T423 VanDerWaalsContact O-CA 3.23Å; P418-T423 WeakPolarHBondContact O-CA 3.28Å; I419-T423 PolarHBondContact O-N 2.82Å; T423-E425 PolarHBondContact O-N 3.38Å; T423-E425 PolarHBondContact OG1-OE2 3.35Å; T423-I426 WeakPolarHBondContact O-CA 3.41Å; T423-I426 WeakPolarHBondContact O-CB 3.44Å; T423-I426 PolarHBondContact O-N 3.09Å; T423-I426 PolarHBondContact OG1-N 3.19Å; T423-M427 PolarHBondContact O-N 2.94Å
424	N	97.9	Very high	93.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-28.9	176.2	-79.7	11.5	0	0	0	112.7	K382 F383 S386 P418 M427 K428	K382-N424 PolarHBondContact NZ-OD1 3.17Å; F383-N424 HydrophobicContact CD2-CB 3.73Å; F383-N424 HydrophobicContact CE2-CB 4.34Å; F383-N424 PolarHBondContact O-ND2 3.29Å; S386-N424 PolarHBondContact OG-ND2 3.2Å; S386-N424 VanDerWaalsContact OG-ND2 3.12Å; S386-N424 PolarHBondContact OG-OD1 3.47Å; P418-N424 WeakPolarHBondContact CA-OD1 3.22Å; P418-N424 HydrophobicContact CB-CB 4.4Å; P418-N424 PolarHBondContact O-N 2.83Å; P418-N424 PolarHBondContact O-OD1 2.88Å; N424-M427 PolarHBondContact O-N 3.36Å; N424-K428 WeakPolarHBondContact O-CG 3.27Å; N424-K428 PolarHBondContact O-N 3.48Å
425	E	98.1	Very high	95	Very high	113 Å²	113	59 Å²	59	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-43.3	171.6	-67	61.9	-126.8	0	0	111.1	T423 M427 K428 E429	T423-E425 PolarHBondContact O-N 3.38Å; T423-E425 PolarHBondContact OG1-OE2 3.35Å; E425-M427 VanDerWaalsContact C-N 3.33Å; E425-M427 PolarHBondContact O-N 3.19Å; E425-K428 WeakPolarHBondContact O-CB 3.35Å; E425-K428 PolarHBondContact O-N 3.01Å; E425-E429 WeakPolarHBondContact O-CG 3.36Å; E425-E429 PolarHBondContact O-N 3.25Å
426	I	97.3	Very high	95.4	Very high	49 Å²	49	59 Å²	59	25%	0.251	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-37.2	174.6	-64.7	-58.7	0	0	0	111.6	T423 K428 E429 L430	T423-I426 WeakPolarHBondContact O-CA 3.41Å; T423-I426 WeakPolarHBondContact O-CB 3.44Å; T423-I426 PolarHBondContact O-N 3.09Å; T423-I426 PolarHBondContact OG1-N 3.19Å; I426-K428 VanDerWaalsContact C-N 3.31Å; I426-K428 PolarHBondContact O-N 3.1Å; I426-E429 WeakPolarHBondContact O-CB 3.44Å; I426-E429 PolarHBondContact O-N 3.13Å; I426-L430 HydrophobicContact CG2-CD1 4.37Å; I426-L430 HydrophobicContact CG2-CG 4.48Å; I426-L430 WeakPolarHBondContact O-CG 3.16Å; I426-L430 PolarHBondContact O-N 2.9Å
427	M	98.1	Very high	95	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-43.7	173.4	-62.4	-55.2	98.1	0	0	111.2	R305 K382 F383 T423 N424 E425 E429 L430 I431	R305-M427 HydrophobicContact CG-SD 4.15Å; K382-M427 HydrophobicContact CB-SD 4.23Å; K382-M427 HydrophobicContact CD-CG 3.72Å; K382-M427 HydrophobicContact CD-SD 3.89Å; K382-M427 HydrophobicContact CG-SD 4.43Å; F383-M427 HydrophobicContact CB-CB 3.69Å; F383-M427 HydrophobicContact CB-CG 4.14Å; T423-M427 PolarHBondContact O-N 2.94Å; N424-M427 PolarHBondContact O-N 3.36Å; E425-M427 VanDerWaalsContact C-N 3.33Å; E425-M427 PolarHBondContact O-N 3.19Å; M427-E429 PolarHBondContact O-N 3.14Å; M427-L430 HydrophobicContact CE-CD1 4.1Å; M427-L430 PolarHBondContact O-N 3.29Å; M427-I431 WeakPolarHBondContact O-CD1 3.21Å; M427-I431 VanDerWaalsContact O-CG1 3.23Å; M427-I431 WeakPolarHBondContact O-CG1 3.02Å; M427-I431 PolarHBondContact O-N 2.99Å
428	K	97.9	Very high	93.2	Very high	90 Å²	90	69.4 Å²	69.4	39%	0.391	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-40.7	175.5	-70.2	167.7	-172.8	170	0	111.9	F383 N424 E425 I426 L430 I431 A432	F383-K428 HydrophobicContact CE2-CD 4.41Å; N424-K428 WeakPolarHBondContact O-CG 3.27Å; N424-K428 PolarHBondContact O-N 3.48Å; E425-K428 WeakPolarHBondContact O-CB 3.35Å; E425-K428 PolarHBondContact O-N 3.01Å; I426-K428 VanDerWaalsContact C-N 3.31Å; I426-K428 PolarHBondContact O-N 3.1Å; K428-L430 PolarHBondContact O-N 2.96Å; K428-I431 PolarHBondContact O-N 3.1Å; K428-A432 VanDerWaalsContact O-CB 3.28Å; K428-A432 WeakPolarHBondContact O-CB 3.33Å; K428-A432 PolarHBondContact O-N 2.77Å
429	E	96.7	Very high	91	Very high	105 Å²	105	81.6 Å²	81.6	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-43.7	173.7	-74	-63.6	145.8	0	0	112.2	E425 I426 M427 A432 R433	E425-E429 WeakPolarHBondContact O-CG 3.36Å; E425-E429 PolarHBondContact O-N 3.25Å; I426-E429 WeakPolarHBondContact O-CB 3.44Å; I426-E429 PolarHBondContact O-N 3.13Å; M427-E429 PolarHBondContact O-N 3.14Å; E429-A432 PolarHBondContact O-N 3.39Å; E429-R433 VanDerWaalsContact O-CG 3.27Å; E429-R433 WeakPolarHBondContact O-CG 3.49Å; E429-R433 PolarHBondContact O-N 3.31Å
430	L	94.3	Very high	90.7	Very high	41 Å²	41	81.1 Å²	81.1	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-65.7	-41.3	177.7	-65.8	175.5	0	0	0	112	R305 I426 M427 K428 R433 G434	R305-L430 VanDerWaalsContact CZ-CD1 3.42Å; I426-L430 HydrophobicContact CG2-CD1 4.37Å; I426-L430 HydrophobicContact CG2-CG 4.48Å; I426-L430 WeakPolarHBondContact O-CG 3.16Å; I426-L430 PolarHBondContact O-N 2.9Å; M427-L430 HydrophobicContact CE-CD1 4.1Å; M427-L430 PolarHBondContact O-N 3.29Å; K428-L430 PolarHBondContact O-N 2.96Å; L430-R433 PolarHBondContact O-N 3.45Å; L430-G434 PolarHBondContact O-N 3.26Å; L430-G434 VanDerWaalsContact O-N 3.13Å
431	I	97.1	Very high	90.5	Very high	23 Å²	23	81.6 Å²	81.6	12%	0.118	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-48.2	174.5	-65.3	160.5	0	0	0	110.4	T376 M380 F383 M427 K428 R433 G434 I435	T376-I431 HydrophobicContact CG2-CB 4.47Å; T376-I431 HydrophobicContact CG2-CG1 4.39Å; M380-I431 HydrophobicContact CB-CD1 4.28Å; M380-I431 HydrophobicContact CE-CG1 4.5Å; M380-I431 HydrophobicContact CE-CG2 3.75Å; M380-I431 HydrophobicContact CG-CD1 3.63Å; M380-I431 HydrophobicContact CG-CG1 3.74Å; M380-I431 HydrophobicContact CG-CG2 4.47Å; F383-I431 HydrophobicContact CD1-CD1 4.48Å; M427-I431 WeakPolarHBondContact O-CD1 3.21Å; M427-I431 VanDerWaalsContact O-CG1 3.23Å; M427-I431 WeakPolarHBondContact O-CG1 3.02Å; M427-I431 PolarHBondContact O-N 2.99Å; K428-I431 PolarHBondContact O-N 3.1Å; I431-R433 VanDerWaalsContact C-N 3.32Å; I431-R433 PolarHBondContact O-N 3.45Å; I431-G434 PolarHBondContact O-N 2.94Å; I431-G434 VanDerWaalsContact O-N 3.1Å; I431-I435 HydrophobicContact CG2-CD1 3.82Å; I431-I435 WeakPolarHBondContact O-CG1 3.47Å; I431-I435 PolarHBondContact O-N 3.21Å; I431-I435 VanDerWaalsContact O-N 3.09Å
432	A	97.2	Very high	90.4	Very high	41 Å²	41	85.4 Å²	85.4	34%	0.339	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-42.4	179.4	0	0	0	0	0	111.6	K428 E429 G434 I435 M436	K428-A432 VanDerWaalsContact O-CB 3.28Å; K428-A432 WeakPolarHBondContact O-CB 3.33Å; K428-A432 PolarHBondContact O-N 2.77Å; E429-A432 PolarHBondContact O-N 3.39Å; A432-G434 VanDerWaalsContact C-N 3.33Å; A432-G434 PolarHBondContact O-N 3.39Å; A432-I435 PolarHBondContact O-N 3.18Å; A432-M436 WeakPolarHBondContact O-CB 3.25Å; A432-M436 VanDerWaalsContact O-CG 3.25Å; A432-M436 WeakPolarHBondContact O-CG 3.27Å; A432-M436 PolarHBondContact O-N 2.99Å
433	R	93.5	Very high	90.1	Very high	164 Å²	164	88.9 Å²	88.9	62%	0.619	45%	0.445	S	S	*	.	H	α-helix	trans	-59.6	-42.4	174.1	-72.3	171.7	-167.8	-173.5	3.2	112.2	E429 L430 I431 I435 M436 S437	E429-R433 VanDerWaalsContact O-CG 3.27Å; E429-R433 WeakPolarHBondContact O-CG 3.49Å; E429-R433 PolarHBondContact O-N 3.31Å; L430-R433 PolarHBondContact O-N 3.45Å; I431-R433 VanDerWaalsContact C-N 3.32Å; I431-R433 PolarHBondContact O-N 3.45Å; R433-I435 VanDerWaalsContact C-N 3.27Å; R433-I435 PolarHBondContact O-N 3.43Å; R433-M436 PolarHBondContact O-N 3.08Å; R433-S437 VanDerWaalsContact O-CB 3.27Å; R433-S437 WeakPolarHBondContact O-CB 3.33Å; R433-S437 PolarHBondContact O-N 2.84Å
434	G	90.7	Very high	89.6	Confident	43 Å²	43	92.7 Å²	92.7	44%	0.443	46%	0.462	S	S	.	.	H	α-helix	trans	-61.8	-33.9	176.5	0	0	0	0	0	113.4	L430 I431 A432	L430-G434 PolarHBondContact O-N 3.26Å; L430-G434 VanDerWaalsContact O-N 3.13Å; I431-G434 PolarHBondContact O-N 2.94Å; I431-G434 VanDerWaalsContact O-N 3.1Å; A432-G434 VanDerWaalsContact C-N 3.33Å; A432-G434 PolarHBondContact O-N 3.39Å
435	I	93.8	Very high	89.1	Confident	122 Å²	122	98.7 Å²	98.7	63%	0.626	49%	0.492	S	S	*	.	H	α-helix	trans	-80	-42.3	178.1	-62.3	164.3	0	0	0	111.7	I431 A432 R433	I431-I435 HydrophobicContact CG2-CD1 3.82Å; I431-I435 WeakPolarHBondContact O-CG1 3.47Å; I431-I435 PolarHBondContact O-N 3.21Å; I431-I435 VanDerWaalsContact O-N 3.09Å; A432-I435 PolarHBondContact O-N 3.18Å; R433-I435 VanDerWaalsContact C-N 3.27Å; R433-I435 PolarHBondContact O-N 3.43Å
436	M	91.6	Very high	88.4	Confident	147 Å²	147	97.6 Å²	97.6	72%	0.724	49%	0.489	S	S	*	.	H	α-helix	trans	-85.6	-14.1	-172	-64.5	-57.4	-63.2	0	0	113.8	A432 R433 Q438	A432-M436 WeakPolarHBondContact O-CB 3.25Å; A432-M436 VanDerWaalsContact O-CG 3.25Å; A432-M436 WeakPolarHBondContact O-CG 3.27Å; A432-M436 PolarHBondContact O-N 2.99Å; R433-M436 PolarHBondContact O-N 3.08Å; M436-Q438 PolarHBondContact O-N 3.04Å
437	S	83.6	Confident	87.8	Confident	81 Å²	81	101.4 Å²	101.4	57%	0.566	51%	0.508	S	S	*	.			trans	-65.4	106.3	176.2	-174.6	0	0	0	0	110	R433 K439	R433-S437 VanDerWaalsContact O-CB 3.27Å; R433-S437 WeakPolarHBondContact O-CB 3.33Å; R433-S437 PolarHBondContact O-N 2.84Å; S437-K439 PolarHBondContact O-N 3.35Å
438	Q	55.4	Low	86.9	Confident	190 Å²	190	109.8 Å²	109.8	89%	0.888	55%	0.55	S	S	*	.			trans	-72.2	116.4	163.3	-63.3	-175.4	-0.5	0	0	107.1	M436	M436-Q438 PolarHBondContact O-N 3.04Å
439	K	50.9	Low	85.9	Confident	271 Å²	271	111.6 Å²	111.6	100%	1.178	56%	0.564	S	S	*	*			trans	-69.7	0	173.8	-81.7	-170.8	177.6	-179.2	0	111.4	S437	S437-K439 PolarHBondContact O-N 3.35Å

Retrieved 439 of 439 residues in 1314.6 ms (Link to these results)

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