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Methylmalonyl-CoA mutase, mitochondrial

Catalyzes the reversible isomerization of methylmalonyl-CoA (MMCoA) (generated from branched-chain amino acid metabolism and degradation of dietary odd chain fatty acids and cholesterol) to succinyl-CoA (3-carboxypropionyl-CoA), a key intermediate of the tricarboxylic acid cycle.

AlphaFold DB , UniProt , Accession P22033, Species HUMAN (Homo sapiens, Human), Gene MMUT, Length 750 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	34	Very low	237 Å²	237	177.2 Å²	177.2	100%	1.167	88%	0.875	S	S	*	*				0	156.3	0	-75.8	177.2	174.5	0	0	108.9
2	L	35	Very low	34.1	Very low	175 Å²	175	170.1 Å²	170.1	92%	0.916	86%	0.856	S	S	*	*			trans	59.1	107.2	173.9	-75.3	124	0	0	0	118.6
3	R	27.8	Very low	33.8	Very low	251 Å²	251	166.9 Å²	166.9	95%	0.947	86%	0.855	S	S	*	*			trans	-87.1	143.6	160.6	-66.5	171.2	167.9	175.5	-5.5	110.3
4	A	38.3	Very low	33.9	Very low	96 Å²	96	167.1 Å²	167.1	79%	0.793	85%	0.85	S	S	*	*			trans	-170.8	149.2	151.9	0	0	0	0	0	108.5
5	K	36	Very low	34.2	Very low	204 Å²	204	171.6 Å²	171.6	89%	0.887	85%	0.854	S	S	*	*			cis	-161.2	155.4	-22.2	-124.6	179.7	-179.2	-179.9	0	106.7
6	N	34	Very low	34.2	Very low	149 Å²	149	171.6 Å²	171.6	80%	0.797	86%	0.857	S	S	*	*			trans	-62	144.3	-178.6	-59.6	-16.6	0	0	0	113.4
7	Q	38	Very low	34	Very low	176 Å²	176	175.8 Å²	175.8	82%	0.822	86%	0.86	S	S	*	*			trans	-129.1	128.6	141.6	-81.5	-167	-18.8	0	0	109.5
8	L	29.6	Very low	33.9	Very low	141 Å²	141	176.5 Å²	176.5	74%	0.738	86%	0.862	S	S	*	*			trans	-76.5	138.4	168.9	-83.8	65.4	0	0	0	108.6
9	F	35.1	Very low	34	Very low	192 Å²	192	175.1 Å²	175.1	84%	0.842	86%	0.864	S	S	*	*			trans	-118.6	130.8	150.9	-98.8	-87.2	0	0	0	109.7
10	L	30.5	Very low	33.8	Very low	158 Å²	158	175.8 Å²	175.8	83%	0.827	86%	0.862	S	S	*	*			trans	-83.8	119.6	-178	-73.3	142.2	0	0	0	109.4
11	L	35.6	Very low	33.7	Very low	170 Å²	170	176.8 Å²	176.8	89%	0.89	87%	0.865	S	S	*	*			trans	-128.2	105.4	162.2	-75.6	176	0	0	0	110.7
12	S	35.2	Very low	33.5	Very low	92 Å²	92	170.6 Å²	170.6	64%	0.643	84%	0.844	S	S	*	*			trans	17.2	109.4	160.9	-164.7	0	0	0	0	120.1	H14	S12-H14 VanDerWaalsContact C-N 3.31Å; S12-H14 PolarHBondContact O-N 3.17Å
13	P	29.5	Very low	33.3	Very low	129 Å²	129	168.8 Å²	168.8	84%	0.838	85%	0.846	S	S	*	*	S	Bend	trans	-81.5	70.6	165.4	35.1	-34	0	0	0	111.6
14	H	36.2	Very low	33.5	Very low	170 Å²	170	160.3 Å²	160.3	79%	0.787	84%	0.838	S	S	*	*			trans	-125.8	3.6	175.4	-100.2	27.6	0	0	0	116.1	S12	S12-H14 VanDerWaalsContact C-N 3.31Å; S12-H14 PolarHBondContact O-N 3.17Å
15	Y	37.3	Very low	33.1	Very low	234 Å²	234	160.6 Å²	160.6	92%	0.918	83%	0.833	S	S	*	*	S	Bend	trans	-105.3	8.8	178.8	-132.9	-96.2	0	0	0	115.3
16	L	34.6	Very low	32.8	Very low	171 Å²	171	163.1 Å²	163.1	90%	0.895	84%	0.838	S	S	*	*	S	Bend	trans	-129.7	18.1	-173.8	-84.7	168.6	0	0	0	115.1
17	R	30.6	Very low	32.6	Very low	243 Å²	243	163.3 Å²	163.3	92%	0.917	84%	0.838	S	S	*	*	S	Bend	trans	-140.6	65.8	176	-77.4	-168.3	175.4	-175.6	-0.6	113.9
18	Q	33.1	Very low	32.6	Very low	189 Å²	189	161.8 Å²	161.8	88%	0.883	83%	0.834	S	S	*	*	S	Bend	trans	-148.2	16.9	156	-126.9	173.6	9.3	0	0	115.2
19	V	34.7	Very low	32.7	Very low	149 Å²	149	162.7 Å²	162.7	90%	0.903	83%	0.834	S	S	*	*	S	Bend	trans	-107.5	51.6	173.8	-164.5	0	0	0	0	110.8
20	K	31.3	Very low	32.6	Very low	189 Å²	189	162.3 Å²	162.3	82%	0.822	84%	0.835	S	S	*	*	S	Bend	trans	-144.5	138.9	160	-73.2	-167.6	175.5	-178.9	0	107
21	E	30	Very low	33.3	Very low	198 Å²	198	161.2 Å²	161.2	93%	0.925	82%	0.82	S	S	*	*			trans	75.2	62.4	176.2	-59.3	169.7	-159.3	0	0	116.9
22	S	31.9	Very low	33.7	Very low	106 Å²	106	160 Å²	160	74%	0.741	81%	0.813	S	S	*	*			trans	-138	82.8	149.4	60	0	0	0	0	111.5	G24	S22-G24 VanDerWaalsContact C-N 3.26Å; S22-G24 PolarHBondContact O-N 3.23Å
23	S	30.9	Very low	34.7	Very low	137 Å²	137	161.7 Å²	161.7	96%	0.958	82%	0.815	S	S	*	*			trans	-73.2	75.9	172.1	52.9	0	0	0	0	110.7
24	G	30.7	Very low	36.4	Very low	74 Å²	74	157.8 Å²	157.8	76%	0.763	79%	0.785	S	S	*	*			trans	-166.5	11.5	-168.9	0	0	0	0	0	120.3	S22	S22-G24 VanDerWaalsContact C-N 3.26Å; S22-G24 PolarHBondContact O-N 3.23Å
25	S	31.2	Very low	38.1	Very low	101 Å²	101	156.4 Å²	156.4	71%	0.706	78%	0.779	S	S	*	*			trans	-153.8	54.5	175.8	57.9	0	0	0	0	115.5	L27	S25-L27 PolarHBondContact O-N 3.13Å
26	R	29.5	Very low	40.3	Very low	258 Å²	258	150.7 Å²	150.7	97%	0.974	76%	0.761	S	S	*	*			trans	-73.1	68.8	165.3	-71.6	-172	-177.2	-176.7	2	111.3
27	L	30.2	Very low	43	Very low	152 Å²	152	145.9 Å²	145.9	80%	0.796	73%	0.734	S	S	*	*			trans	-151.6	35.2	176.2	-113.9	165.7	0	0	0	114.6	S25	S25-L27 PolarHBondContact O-N 3.13Å
28	I	37.2	Very low	46.1	Very low	144 Å²	144	138.6 Å²	138.6	74%	0.738	72%	0.718	S	S	*	*			trans	-95.7	101.5	139	-63.5	177	0	0	0	104.8	Q30	I28-Q30 PolarHBondContact O-N 3.09Å
29	Q	32.2	Very low	49.2	Very low	160 Å²	160	130.5 Å²	130.5	75%	0.748	68%	0.681	S	S	*	*			trans	-53.3	135.3	159.1	-79.4	175.4	-36.2	0	0	106.8	R31	Q29-R31 PolarHBondContact O-N 2.89Å
30	Q	31.5	Very low	52.2	Low	185 Å²	185	126 Å²	126	86%	0.864	65%	0.65	S	S	*	*			trans	-57.2	96.5	156.1	-74.4	173.4	-43.5	0	0	106	I28 L32	I28-Q30 PolarHBondContact O-N 3.09Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 3.12Å
31	R	46.7	Very low	55.4	Low	135 Å²	135	120.8 Å²	120.8	51%	0.509	64%	0.635	S	S	.	*			trans	-62.6	105.6	163.4	-124.7	-173.1	-173.4	-154.7	3.3	103.6	Q29 L33	Q29-R31 PolarHBondContact O-N 2.89Å; R31-L33 PolarHBondContact O-N 3.39Å
32	L	44	Very low	58.6	Low	143 Å²	143	117.9 Å²	117.9	75%	0.749	62%	0.621	S	S	*	*			trans	-51.6	126.5	168	-71.3	159	0	0	0	105.8	Q30	Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 3.12Å
33	L	55.5	Low	61.8	Low	129 Å²	129	115.6 Å²	115.6	68%	0.675	60%	0.596	S	S	*	*			trans	-45.6	142.7	172.6	-74.1	162.5	0	0	0	108.8	R31 Q35 D440	R31-L33 PolarHBondContact O-N 3.39Å; L33-Q35 PolarHBondContact O-N 3.32Å; L33-D440 HydrophobicContact CD2-CB 4.17Å
34	H	65.9	Low	65	Low	47 Å²	47	110 Å²	110	22%	0.218	56%	0.559	C	S	.	*			trans	-56.7	109.5	-175.4	-179.3	55.1	0	0	0	109.9	Q36 C433 N436 D437 D440	H34-Q36 PolarHBondContact O-N 3.1Å; H34-C433 PolarHBondContact NE2-SG 3.02Å; H34-C433 VanDerWaalsContact NE2-SG 3.42Å; H34-N436 HydrophobicContact CB-CB 3.98Å; H34-D437 IonicContact CD2-OD1 3.71Å; H34-D440 PolarHBondContact N-OD2 3.42Å
35	Q	70.8	Confident	68.2	Low	141 Å²	141	109.6 Å²	109.6	66%	0.659	55%	0.548	S	S	*	.			trans	-72.9	101.6	178.5	-74.3	-168.8	-5.3	0	0	108.4	L33 Q37	L33-Q35 PolarHBondContact O-N 3.32Å; Q35-Q37 PolarHBondContact O-N 3.31Å
36	Q	83.2	Confident	71.4	Confident	113 Å²	113	109.6 Å²	109.6	53%	0.528	54%	0.539	S	S	.	.			trans	-57	105.4	175.4	-72	-174	-8.6	0	0	109.9	H34 D437	H34-Q36 PolarHBondContact O-N 3.1Å; Q36-D437 PolarHBondContact NE2-OD1 3.04Å
37	Q	92.7	Very high	74.7	Confident	70 Å²	70	97.5 Å²	97.5	33%	0.327	50%	0.495	S	S	.	.			trans	-61.8	142.5	173.9	-70	-67.2	-45.3	0	0	109.5	Q35 K70 D77	Q35-Q37 PolarHBondContact O-N 3.31Å; Q37-K70 WeakPolarHBondContact O-CD 3.36Å; Q37-K70 PolarHBondContact O-NZ 3.37Å; Q37-D77 WeakPolarHBondContact CB-OD1 3.31Å
38	P	95.1	Very high	77.9	Confident	90 Å²	90	95.3 Å²	95.3	58%	0.584	48%	0.479	S	S	*	.			trans	-64.5	178.8	174.2	28.2	-35.1	0	0	0	111.7	K70 R76	P38-K70 PolarHBondContact O-NZ 2.94Å; P38-R76 PolarHBondContact O-NH2 3.27Å
39	L	97.7	Very high	80.8	Confident	20 Å²	20	96.7 Å²	96.7	11%	0.105	48%	0.48	C	S	.	.			trans	-57.7	150.2	174.5	-65.4	177.4	0	0	0	112.4	P41 W43 A44 P56 E57 I60 K70 P71 R76	L39-P41 WeakPolarHBondContact O-CD 3.47Å; L39-W43 HydrophobicContact CD1-CZ3 4.36Å; L39-W43 HydrophobicContact CD2-CZ3 4.23Å; L39-A44 HydrophobicContact CB-CB 4.33Å; L39-P56 HydrophobicContact CD1-CB 4.08Å; L39-E57 HydrophobicContact CD1-CB 4.5Å; L39-E57 HydrophobicContact CD1-CG 3.76Å; L39-I60 HydrophobicContact CD1-CD1 4.42Å; L39-I60 HydrophobicContact CD2-CD1 4.43Å; L39-I60 HydrophobicContact CD2-CG1 4.3Å; L39-I60 HydrophobicContact CG-CD1 4.48Å; L39-K70 HydrophobicContact CD2-CB 4.1Å; L39-K70 HydrophobicContact CD2-CD 4.2Å; L39-K70 HydrophobicContact CD2-CG 4.16Å; L39-P71 HydrophobicContact CD2-CG 3.97Å; L39-R76 PolarHBondContact O-NH2 3.15Å
40	H	97.9	Very high	83.9	Confident	54 Å²	54	96.7 Å²	96.7	25%	0.25	48%	0.48	C	S	.	.			trans	-42.1	99.1	168.2	178.6	10.4	0	0	0	112.1	E42 W43 A44 S74	H40-E42 IonicContact CE1-OE2 2.88Å; H40-E42 PolarHBondContact O-N 3.34Å; H40-W43 CarbonylContact O-C 3.6Å; H40-W43 WeakPolarHBondContact O-CA 3.39Å; H40-W43 WeakPolarHBondContact O-CB 3.5Å; H40-W43 PolarHBondContact O-N 2.78Å; H40-A44 WeakPolarHBondContact O-CB 3.33Å; H40-A44 PolarHBondContact O-N 2.66Å; H40-S74 PolarHBondContact CD2-OG 3.37Å
41	P	98	Very high	87.1	Confident	79 Å²	79	90.7 Å²	90.7	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-44.5	-166.4	-26.8	36	0	0	0	113.1	L39 A44 A45	L39-P41 WeakPolarHBondContact O-CD 3.47Å; P41-A44 PolarHBondContact O-N 3.16Å; P41-A45 PolarHBondContact O-N 2.9Å
42	E	98.3	Very high	89.5	Confident	137 Å²	137	93.8 Å²	93.8	64%	0.64	47%	0.47	S	S	*	.	H	α-helix	trans	-60.2	-45.6	170.2	-174.2	-178.6	-178.9	0	0	112.3	H40 A44 A45 L46	H40-E42 IonicContact CE1-OE2 2.88Å; H40-E42 PolarHBondContact O-N 3.34Å; E42-A44 PolarHBondContact O-N 2.95Å; E42-A45 WeakPolarHBondContact O-CB 3.44Å; E42-A45 PolarHBondContact O-N 3.24Å; E42-L46 WeakPolarHBondContact O-CG 3.35Å; E42-L46 PolarHBondContact O-N 2.66Å
43	W	98.4	Very high	91.9	Very high	58 Å²	58	89.1 Å²	89.1	22%	0.22	46%	0.456	C	S	.	.	H	α-helix	trans	-64.8	-37.5	177	173.5	85.3	0	0	0	112.7	L39 H40 A45 L46 A47 P56 L59 P71 L72	L39-W43 HydrophobicContact CD1-CZ3 4.36Å; L39-W43 HydrophobicContact CD2-CZ3 4.23Å; H40-W43 CarbonylContact O-C 3.6Å; H40-W43 WeakPolarHBondContact O-CA 3.39Å; H40-W43 WeakPolarHBondContact O-CB 3.5Å; H40-W43 PolarHBondContact O-N 2.78Å; W43-A45 VanDerWaalsContact C-N 3.35Å; W43-L46 CarbonylContact O-C 3.46Å; W43-L46 WeakPolarHBondContact O-CB 3.37Å; W43-L46 PolarHBondContact O-N 3.28Å; W43-A47 HydrophobicContact CD2-CB 4.4Å; W43-A47 HydrophobicContact CE3-CB 4.44Å; W43-A47 HydrophobicContact CH2-CB 3.97Å; W43-A47 HydrophobicContact CZ2-CB 3.97Å; W43-A47 HydrophobicContact CZ3-CB 4.22Å; W43-A47 VanDerWaalsContact O-CB 3.29Å; W43-A47 WeakPolarHBondContact O-CB 3.47Å; W43-A47 PolarHBondContact O-N 3.24Å; W43-P56 HydrophobicContact CZ3-CB 4.16Å; W43-L59 HydrophobicContact CH2-CD1 4.15Å; W43-P71 HydrophobicContact CH2-CB 3.71Å; W43-P71 HydrophobicContact CH2-CG 3.29Å; W43-P71 HydrophobicContact CZ2-CB 4.14Å; W43-P71 HydrophobicContact CZ2-CG 4.18Å; W43-P71 HydrophobicContact CZ3-CG 3.77Å; W43-L72 HydrophobicContact CB-CD2 3.85Å; W43-L72 HydrophobicContact CD2-CB 3.91Å; W43-L72 HydrophobicContact CD2-CD2 4.01Å; W43-L72 HydrophobicContact CE3-CB 4.33Å; W43-L72 HydrophobicContact CG-CB 4.32Å; W43-L72 HydrophobicContact CG-CD2 3.48Å; W43-L72 VanDerWaalsContact CG-CD2 3.48Å; W43-L72 HydrophobicContact CG-CG 4.43Å; W43-L72 HydrophobicContact CZ2-CB 4.21Å
44	A	98.2	Very high	93.9	Very high	20 Å²	20	89.8 Å²	89.8	17%	0.165	45%	0.454	C	S	.	.	H	α-helix	trans	-68.7	-37.4	177.9	0	0	0	0	0	110.1	L39 H40 P41 E42 A47 K48 P56	L39-A44 HydrophobicContact CB-CB 4.33Å; H40-A44 WeakPolarHBondContact O-CB 3.33Å; H40-A44 PolarHBondContact O-N 2.66Å; P41-A44 PolarHBondContact O-N 3.16Å; E42-A44 PolarHBondContact O-N 2.95Å; A44-A47 PolarHBondContact O-N 2.9Å; A44-K48 WeakPolarHBondContact O-CB 3.5Å; A44-K48 PolarHBondContact O-N 3.19Å; A44-P56 HydrophobicContact CB-CB 4.28Å; A44-P56 HydrophobicContact CB-CG 4.16Å; A44-P56 VanDerWaalsContact O-CG 3.26Å; A44-P56 WeakPolarHBondContact O-CG 3.28Å
45	A	98.2	Very high	95.4	Very high	65 Å²	65	90.5 Å²	90.5	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-62.3	-43	169.6	0	0	0	0	0	112	P41 E42 W43 K49	P41-A45 PolarHBondContact O-N 2.9Å; E42-A45 WeakPolarHBondContact O-CB 3.44Å; E42-A45 PolarHBondContact O-N 3.24Å; W43-A45 VanDerWaalsContact C-N 3.35Å; A45-K49 WeakPolarHBondContact O-CB 3.5Å; A45-K49 PolarHBondContact O-N 3.31Å
46	L	98.4	Very high	96.6	Very high	101 Å²	101	84 Å²	84	53%	0.529	43%	0.43	S	S	.	.	H	α-helix	trans	-64.3	-46	174.9	-69.4	170.2	0	0	0	112.4	E42 W43 K49 Q50	E42-L46 WeakPolarHBondContact O-CG 3.35Å; E42-L46 PolarHBondContact O-N 2.66Å; W43-L46 CarbonylContact O-C 3.46Å; W43-L46 WeakPolarHBondContact O-CB 3.37Å; W43-L46 PolarHBondContact O-N 3.28Å; L46-K49 WeakPolarHBondContact O-CB 3.42Å; L46-K49 PolarHBondContact O-N 3.42Å; L46-Q50 WeakPolarHBondContact O-CB 3.5Å; L46-Q50 PolarHBondContact O-N 3.28Å
47	A	98.2	Very high	97.3	Very high	5 Å²	5	84 Å²	84	4%	0.041	43%	0.43	C	S	.	.	H	α-helix	trans	-63.5	-44.6	178	0	0	0	0	0	111.3	W43 A44 K49 Q50 L51 P56	W43-A47 HydrophobicContact CD2-CB 4.4Å; W43-A47 HydrophobicContact CE3-CB 4.44Å; W43-A47 HydrophobicContact CH2-CB 3.97Å; W43-A47 HydrophobicContact CZ2-CB 3.97Å; W43-A47 HydrophobicContact CZ3-CB 4.22Å; W43-A47 VanDerWaalsContact O-CB 3.29Å; W43-A47 WeakPolarHBondContact O-CB 3.47Å; W43-A47 PolarHBondContact O-N 3.24Å; A44-A47 PolarHBondContact O-N 2.9Å; A47-K49 VanDerWaalsContact C-N 3.29Å; A47-K49 PolarHBondContact O-N 2.96Å; A47-Q50 PolarHBondContact O-N 3.03Å; A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 WeakPolarHBondContact O-CG 3.46Å; A47-L51 PolarHBondContact O-N 3.12Å; A47-P56 HydrophobicContact CB-CB 4.18Å; A47-P56 HydrophobicContact CB-CG 4.13Å
48	K	98.2	Very high	97.5	Very high	106 Å²	106	86.3 Å²	86.3	46%	0.461	44%	0.444	S	S	.	.	H	α-helix	trans	-61.1	-38.4	175.1	-173.9	164.5	-172.3	169.6	0	111.9	A44 K52 G53 P56	A44-K48 WeakPolarHBondContact O-CB 3.5Å; A44-K48 PolarHBondContact O-N 3.19Å; K48-K52 PolarHBondContact O-N 2.8Å; K48-G53 PolarHBondContact O-N 3.29Å; K48-P56 HydrophobicContact CB-CG 3.86Å
49	K	98.1	Very high	97.6	Very high	173 Å²	173	85.7 Å²	85.7	75%	0.752	44%	0.435	S	S	*	.	H	α-helix	trans	-65.7	-46.9	173.4	-175.7	-179.8	179.2	-178.6	0	111.6	A45 L46 A47 K52	A45-K49 WeakPolarHBondContact O-CB 3.5Å; A45-K49 PolarHBondContact O-N 3.31Å; L46-K49 WeakPolarHBondContact O-CB 3.42Å; L46-K49 PolarHBondContact O-N 3.42Å; A47-K49 VanDerWaalsContact C-N 3.29Å; A47-K49 PolarHBondContact O-N 2.96Å; K49-K52 PolarHBondContact O-N 2.97Å
50	Q	98	Very high	97.7	Very high	160 Å²	160	86.5 Å²	86.5	75%	0.748	44%	0.439	S	S	*	.	H	α-helix	trans	-62.5	-42.4	178.2	-178.3	177	-9.7	0	0	112.2	L46 A47 K52	L46-Q50 WeakPolarHBondContact O-CB 3.5Å; L46-Q50 PolarHBondContact O-N 3.28Å; A47-Q50 PolarHBondContact O-N 3.03Å; Q50-K52 PolarHBondContact O-N 3.47Å
51	L	97.6	Very high	97.7	Very high	58 Å²	58	89.5 Å²	89.5	30%	0.304	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	14.8	179.1	-60.9	180	0	0	0	114	A47 G53 K54 L59	A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 WeakPolarHBondContact O-CG 3.46Å; A47-L51 PolarHBondContact O-N 3.12Å; L51-G53 PolarHBondContact O-N 2.97Å; L51-K54 HydrophobicContact CB-CB 3.96Å; L51-K54 HydrophobicContact CB-CG 4.47Å; L51-K54 HydrophobicContact CD1-CB 4.46Å; L51-K54 PolarHBondContact O-N 3.33Å; L51-L59 HydrophobicContact CD1-CD1 3.82Å; L51-L59 HydrophobicContact CD1-CD2 4.09Å; L51-L59 HydrophobicContact CD1-CG 4.19Å
52	K	96.8	Very high	97.7	Very high	201 Å²	201	92 Å²	92	87%	0.874	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.4	175.5	-56.8	-178.6	-179	178.7	0	113.7	K48 K49 Q50	K48-K52 PolarHBondContact O-N 2.8Å; K49-K52 PolarHBondContact O-N 2.97Å; Q50-K52 PolarHBondContact O-N 3.47Å
53	G	95.4	Very high	97.7	Very high	44 Å²	44	86 Å²	86	45%	0.454	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	-10	172.7	0	0	0	0	0	116.5	K48 L51	K48-G53 PolarHBondContact O-N 3.29Å; L51-G53 PolarHBondContact O-N 2.97Å
54	K	96.4	Very high	97.7	Very high	144 Å²	144	86.1 Å²	86.1	63%	0.626	43%	0.434	S	S	*	.			trans	-55.9	153.1	172.1	-66.1	-172.1	173.2	-166.9	0	111.7	L51 P56	L51-K54 HydrophobicContact CB-CB 3.96Å; L51-K54 HydrophobicContact CB-CG 4.47Å; L51-K54 HydrophobicContact CD1-CB 4.46Å; L51-K54 PolarHBondContact O-N 3.33Å; K54-P56 WeakPolarHBondContact O-CD 3.42Å
55	N	97	Very high	97.7	Very high	62 Å²	62	86.7 Å²	86.7	33%	0.332	43%	0.433	S	S	.	.			trans	-76	125.2	179.3	-170.9	9.6	0	0	0	109.7	E57 D58	N55-E57 PolarHBondContact ND2-OE2 2.85Å; N55-E57 PolarHBondContact O-N 3.45Å; N55-E57 PolarHBondContact OD1-N 2.71Å; N55-D58 PolarHBondContact N-OD2 3.03Å; N55-D58 VanDerWaalsContact O-CB 3.28Å; N55-D58 WeakPolarHBondContact O-CB 3.41Å; N55-D58 VanDerWaalsContact O-CG 3.24Å; N55-D58 PolarHBondContact O-N 3.05Å
56	P	97.1	Very high	97.6	Very high	5 Å²	5	86.9 Å²	86.9	3%	0.032	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-61.8	-18.5	174.7	-23.9	35	0	0	0	114.1	L39 W43 A44 A47 K48 K54 D58 L59	L39-P56 HydrophobicContact CD1-CB 4.08Å; W43-P56 HydrophobicContact CZ3-CB 4.16Å; A44-P56 HydrophobicContact CB-CB 4.28Å; A44-P56 HydrophobicContact CB-CG 4.16Å; A44-P56 VanDerWaalsContact O-CG 3.26Å; A44-P56 WeakPolarHBondContact O-CG 3.28Å; A47-P56 HydrophobicContact CB-CB 4.18Å; A47-P56 HydrophobicContact CB-CG 4.13Å; K48-P56 HydrophobicContact CB-CG 3.86Å; K54-P56 WeakPolarHBondContact O-CD 3.42Å; P56-D58 VanDerWaalsContact C-N 3.27Å; P56-L59 WeakPolarHBondContact O-CB 3.48Å; P56-L59 PolarHBondContact O-N 3.34Å
57	E	97.3	Very high	97.6	Very high	113 Å²	113	82.5 Å²	82.5	53%	0.528	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-69.2	-24.8	173.6	-59	171.5	147.8	0	0	112.2	L39 N55 L59 I60	L39-E57 HydrophobicContact CD1-CB 4.5Å; L39-E57 HydrophobicContact CD1-CG 3.76Å; N55-E57 PolarHBondContact ND2-OE2 2.85Å; N55-E57 PolarHBondContact O-N 3.45Å; N55-E57 PolarHBondContact OD1-N 2.71Å; E57-L59 PolarHBondContact O-N 3.42Å; E57-I60 HydrophobicContact CB-CD1 4.11Å; E57-I60 HydrophobicContact CG-CD1 4.37Å; E57-I60 WeakPolarHBondContact O-CB 3.47Å; E57-I60 WeakPolarHBondContact O-CG1 3.48Å; E57-I60 PolarHBondContact O-N 2.88Å
58	D	97.4	Very high	97.6	Very high	117 Å²	117	83.9 Å²	83.9	63%	0.626	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-63.3	-10.6	172.9	-51.4	-22.6	0	0	0	112.4	N55 P56	N55-D58 PolarHBondContact N-OD2 3.03Å; N55-D58 VanDerWaalsContact O-CB 3.28Å; N55-D58 WeakPolarHBondContact O-CB 3.41Å; N55-D58 VanDerWaalsContact O-CG 3.24Å; N55-D58 PolarHBondContact O-N 3.05Å; P56-D58 VanDerWaalsContact C-N 3.27Å
59	L	98	Very high	97.6	Very high	77 Å²	77	79.5 Å²	79.5	40%	0.403	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-96.9	-1.7	175.9	-51	176.8	0	0	0	113.3	W43 L51 P56 E57 W61 P71	W43-L59 HydrophobicContact CH2-CD1 4.15Å; L51-L59 HydrophobicContact CD1-CD1 3.82Å; L51-L59 HydrophobicContact CD1-CD2 4.09Å; L51-L59 HydrophobicContact CD1-CG 4.19Å; P56-L59 WeakPolarHBondContact O-CB 3.48Å; P56-L59 PolarHBondContact O-N 3.34Å; E57-L59 PolarHBondContact O-N 3.42Å; L59-W61 PolarHBondContact O-N 3.19Å; L59-P71 HydrophobicContact CB-CB 3.97Å; L59-P71 HydrophobicContact CB-CG 3.94Å
60	I	98.3	Very high	97.6	Very high	38 Å²	38	72.5 Å²	72.5	20%	0.195	38%	0.379	C	S	.	.			trans	-69.4	124.9	174.3	-66	171.4	0	0	0	107.8	L39 E57 H62	L39-I60 HydrophobicContact CD1-CD1 4.42Å; L39-I60 HydrophobicContact CD2-CD1 4.43Å; L39-I60 HydrophobicContact CD2-CG1 4.3Å; L39-I60 HydrophobicContact CG-CD1 4.48Å; E57-I60 HydrophobicContact CB-CD1 4.11Å; E57-I60 HydrophobicContact CG-CD1 4.37Å; E57-I60 WeakPolarHBondContact O-CB 3.47Å; E57-I60 WeakPolarHBondContact O-CG1 3.48Å; E57-I60 PolarHBondContact O-N 2.88Å; I60-H62 PolarHBondContact O-N 3.37Å
61	W	98.3	Very high	97.6	Very high	117 Å²	117	67.4 Å²	67.4	44%	0.443	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	101.6	176.3	179.3	22.4	0	0	0	109.1	L59 T63 I69 N314	L59-W61 PolarHBondContact O-N 3.19Å; W61-T63 HydrophobicContact CD2-CG2 3.75Å; W61-T63 HydrophobicContact CE3-CG2 4.11Å; W61-T63 HydrophobicContact CG-CG2 4.08Å; W61-T63 HydrophobicContact CH2-CG2 4.49Å; W61-T63 HydrophobicContact CZ2-CG2 4.15Å; W61-T63 HydrophobicContact CZ3-CG2 4.47Å; W61-T63 PolarHBondContact O-N 3.12Å; W61-I69 HydrophobicContact CB-CB 4.4Å; W61-I69 HydrophobicContact CE3-CB 4.35Å; W61-I69 HydrophobicContact CE3-CD1 3.93Å; W61-I69 HydrophobicContact CZ3-CD1 4.02Å; W61-I69 PolarHBondContact N-O 3.27Å; W61-I69 PolarHBondContact O-N 3.13Å; W61-N314 WeakPolarHBondContact CH2-OD1 3.28Å
62	H	97.8	Very high	97.7	Very high	132 Å²	132	67.8 Å²	67.8	61%	0.611	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	108	165.4	-55.9	-62	0	0	0	108.3	I60 S68	I60-H62 PolarHBondContact O-N 3.37Å; H62-S68 PolarHBondContact ND1-OG 3.31Å
63	T	98.4	Very high	97.7	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.055	32%	0.324	C	S	.	.			trans	-85.6	160.7	-175.1	81.9	0	0	0	0	111.3	W61 E65 G66 I67 I69 M317	W61-T63 HydrophobicContact CD2-CG2 3.75Å; W61-T63 HydrophobicContact CE3-CG2 4.11Å; W61-T63 HydrophobicContact CG-CG2 4.08Å; W61-T63 HydrophobicContact CH2-CG2 4.49Å; W61-T63 HydrophobicContact CZ2-CG2 4.15Å; W61-T63 HydrophobicContact CZ3-CG2 4.47Å; W61-T63 PolarHBondContact O-N 3.12Å; T63-E65 WeakPolarHBondContact CB-OE2 3.34Å; T63-E65 PolarHBondContact O-N 2.85Å; T63-E65 VanDerWaalsContact O-N 3.15Å; T63-E65 WeakPolarHBondContact OG1-CB 3.48Å; T63-E65 PolarHBondContact OG1-N 3.5Å; T63-E65 PolarHBondContact OG1-OE2 3.43Å; T63-G66 PolarHBondContact O-N 2.75Å; T63-I67 PolarHBondContact N-O 3.19Å; T63-I67 PolarHBondContact OG1-O 2.88Å; T63-I69 HydrophobicContact CG2-CB 4.49Å; T63-I69 HydrophobicContact CG2-CD1 3.67Å; T63-I69 HydrophobicContact CG2-CG1 3.79Å; T63-M317 HydrophobicContact CG2-CE 4.12Å
64	P	97.8	Very high	97.9	Very high	62 Å²	62	57.9 Å²	57.9	40%	0.403	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.1	175.3	-27.5	37	0	0	0	114.2	G66	P64-G66 PolarHBondContact O-N 3.06Å
65	E	98.4	Very high	97.9	Very high	32 Å²	32	57.7 Å²	57.7	15%	0.15	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8	174.3	-64.8	75	-166.1	0	0	114.2	T63 I67 D272 A273 I274 M317	T63-E65 WeakPolarHBondContact CB-OE2 3.34Å; T63-E65 PolarHBondContact O-N 2.85Å; T63-E65 VanDerWaalsContact O-N 3.15Å; T63-E65 WeakPolarHBondContact OG1-CB 3.48Å; T63-E65 PolarHBondContact OG1-N 3.5Å; T63-E65 PolarHBondContact OG1-OE2 3.43Å; E65-I67 VanDerWaalsContact C-N 3.26Å; E65-I67 HydrophobicContact CB-CG1 4.44Å; E65-I67 PolarHBondContact O-N 3.19Å; E65-D272 HydrophobicContact CG-CB 4.08Å; E65-A273 HydrophobicContact CG-CB 4.04Å; E65-I274 HydrophobicContact CB-CD1 4.29Å; E65-I274 HydrophobicContact CB-CG1 3.64Å; E65-I274 HydrophobicContact CG-CD1 4.39Å; E65-I274 HydrophobicContact CG-CG1 3.93Å; E65-M317 HydrophobicContact CB-CE 4.14Å; E65-M317 HydrophobicContact CG-CE 3.87Å; E65-M317 HydrophobicContact CG-CG 4.1Å; E65-M317 HydrophobicContact CG-SD 4.06Å
66	G	97.5	Very high	97.9	Very high	68 Å²	68	58.3 Å²	58.3	70%	0.701	31%	0.305	S	S	*	.	S	Bend	trans	77.3	7.9	-173.4	0	0	0	0	0	114.4	T63 P64	T63-G66 PolarHBondContact O-N 2.75Å; P64-G66 PolarHBondContact O-N 3.06Å
67	I	97.8	Very high	97.9	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.046	31%	0.306	C	S	.	.			trans	-88.1	143	174.8	-65	176.1	0	0	0	109.4	T63 E65 I69 I274 M317 L434 D437 V438	T63-I67 PolarHBondContact N-O 3.19Å; T63-I67 PolarHBondContact OG1-O 2.88Å; E65-I67 VanDerWaalsContact C-N 3.26Å; E65-I67 HydrophobicContact CB-CG1 4.44Å; E65-I67 PolarHBondContact O-N 3.19Å; I67-I69 HydrophobicContact CG2-CG1 4.29Å; I67-I274 HydrophobicContact CD1-CD1 3.81Å; I67-M317 HydrophobicContact CB-CE 4.4Å; I67-M317 HydrophobicContact CD1-CE 4.35Å; I67-M317 HydrophobicContact CD1-SD 4.33Å; I67-L434 HydrophobicContact CD1-CD1 4.47Å; I67-L434 HydrophobicContact CG2-CD1 3.85Å; I67-D437 HydrophobicContact CD1-CB 3.98Å; I67-D437 HydrophobicContact CG1-CB 4.37Å; I67-D437 HydrophobicContact CG2-CB 3.96Å; I67-V438 HydrophobicContact CD1-CB 4.34Å; I67-V438 HydrophobicContact CD1-CG2 3.56Å
68	S	98.1	Very high	97.9	Very high	35 Å²	35	54.4 Å²	54.4	25%	0.245	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	97.7	177.3	-65.9	0	0	0	0	110.3	H62 K70	H62-S68 PolarHBondContact ND1-OG 3.31Å; S68-K70 PolarHBondContact O-N 3.31Å
69	I	98.2	Very high	97.8	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.8	178.7	-61	-177.9	0	0	0	109.2	W61 T63 I67 Y73 M317 L434	W61-I69 HydrophobicContact CB-CB 4.4Å; W61-I69 HydrophobicContact CE3-CB 4.35Å; W61-I69 HydrophobicContact CE3-CD1 3.93Å; W61-I69 HydrophobicContact CZ3-CD1 4.02Å; W61-I69 PolarHBondContact N-O 3.27Å; W61-I69 PolarHBondContact O-N 3.13Å; T63-I69 HydrophobicContact CG2-CB 4.49Å; T63-I69 HydrophobicContact CG2-CD1 3.67Å; T63-I69 HydrophobicContact CG2-CG1 3.79Å; I67-I69 HydrophobicContact CG2-CG1 4.29Å; I69-Y73 HydrophobicContact CG2-CE2 4.16Å; I69-M317 HydrophobicContact CD1-CE 4.15Å; I69-L434 HydrophobicContact CD1-CD1 3.89Å; I69-L434 HydrophobicContact CD1-CD2 3.95Å; I69-L434 HydrophobicContact CG1-CD1 3.96Å
70	K	98.3	Very high	97.6	Very high	26 Å²	26	58.8 Å²	58.8	11%	0.113	31%	0.309	C	S	.	.			trans	-74.2	143.4	178.8	-61.9	-175.7	-63	-174	0	111.2	Q37 P38 L39 S68 L72 Y73 D77	Q37-K70 WeakPolarHBondContact O-CD 3.36Å; Q37-K70 PolarHBondContact O-NZ 3.37Å; P38-K70 PolarHBondContact O-NZ 2.94Å; L39-K70 HydrophobicContact CD2-CB 4.1Å; L39-K70 HydrophobicContact CD2-CD 4.2Å; L39-K70 HydrophobicContact CD2-CG 4.16Å; S68-K70 PolarHBondContact O-N 3.31Å; K70-L72 PolarHBondContact O-N 3.3Å; K70-Y73 HydrophobicContact CB-CD2 4.14Å; K70-Y73 HydrophobicContact CB-CE1 4.49Å; K70-Y73 HydrophobicContact CB-CE2 3.64Å; K70-Y73 VanDerWaalsContact CE-CE1 3.44Å; K70-Y73 HydrophobicContact CG-CE2 4.47Å; K70-Y73 PolarHBondContact N-OH 3.37Å; K70-Y73 VanDerWaalsContact N-OH 3.1Å; K70-Y73 VanDerWaalsContact O-CE2 3.24Å; K70-Y73 WeakPolarHBondContact O-CE2 3.25Å; K70-D77 IonicContact NZ-OD1 3.1Å; K70-D77 PolarHBondContact NZ-OD1 2.7Å
71	P	98.3	Very high	97.4	Very high	53 Å²	53	59.2 Å²	59.2	34%	0.344	31%	0.312	S	S	.	.	S	Bend	trans	-63.7	-17.3	173.8	28.5	-39.6	0	0	0	114	L39 W43 L59	L39-P71 HydrophobicContact CD2-CG 3.97Å; W43-P71 HydrophobicContact CH2-CB 3.71Å; W43-P71 HydrophobicContact CH2-CG 3.29Å; W43-P71 HydrophobicContact CZ2-CB 4.14Å; W43-P71 HydrophobicContact CZ2-CG 4.18Å; W43-P71 HydrophobicContact CZ3-CG 3.77Å; L59-P71 HydrophobicContact CB-CB 3.97Å; L59-P71 HydrophobicContact CB-CG 3.94Å
72	L	98.4	Very high	97.3	Very high	67 Å²	67	56.4 Å²	56.4	35%	0.351	31%	0.308	S	S	.	.			trans	-146.1	138.5	170.4	-169.5	83.4	0	0	0	110.9	W43 K70	W43-L72 HydrophobicContact CB-CD2 3.85Å; W43-L72 HydrophobicContact CD2-CB 3.91Å; W43-L72 HydrophobicContact CD2-CD2 4.01Å; W43-L72 HydrophobicContact CE3-CB 4.33Å; W43-L72 HydrophobicContact CG-CB 4.32Å; W43-L72 HydrophobicContact CG-CD2 3.48Å; W43-L72 VanDerWaalsContact CG-CD2 3.48Å; W43-L72 HydrophobicContact CG-CG 4.43Å; W43-L72 HydrophobicContact CZ2-CB 4.21Å; K70-L72 PolarHBondContact O-N 3.3Å
73	Y	98.4	Very high	97.3	Very high	21 Å²	21	59 Å²	59	8%	0.082	32%	0.321	C	S	.	.			trans	-118.4	154.9	164.6	-65.7	-106.8	0	0	0	109.7	I69 K70 D77 M430 C433	I69-Y73 HydrophobicContact CG2-CE2 4.16Å; K70-Y73 HydrophobicContact CB-CD2 4.14Å; K70-Y73 HydrophobicContact CB-CE1 4.49Å; K70-Y73 HydrophobicContact CB-CE2 3.64Å; K70-Y73 VanDerWaalsContact CE-CE1 3.44Å; K70-Y73 HydrophobicContact CG-CE2 4.47Å; K70-Y73 PolarHBondContact N-OH 3.37Å; K70-Y73 VanDerWaalsContact N-OH 3.1Å; K70-Y73 VanDerWaalsContact O-CE2 3.24Å; K70-Y73 WeakPolarHBondContact O-CE2 3.25Å; Y73-D77 HydrophobicContact CD1-CB 4.29Å; Y73-M430 HydrophobicContact CD2-CB 3.49Å; Y73-M430 VanDerWaalsContact CD2-CB 3.49Å; Y73-M430 HydrophobicContact CD2-CG 3.55Å; Y73-M430 HydrophobicContact CE2-CB 4.01Å; Y73-M430 HydrophobicContact CE2-CG 3.53Å; Y73-M430 HydrophobicContact CG-CB 3.83Å; Y73-M430 HydrophobicContact CG-CG 4.3Å; Y73-C433 HydrophobicContact CD1-CB 3.75Å; Y73-C433 HydrophobicContact CE1-CB 3.42Å; Y73-C433 VanDerWaalsContact CE1-CB 3.42Å
74	S	98.3	Very high	97.3	Very high	16 Å²	16	59.5 Å²	59.5	11%	0.112	32%	0.323	C	S	.	.			trans	-144.7	173.4	-169.6	68.1	0	0	0	0	111.5	H40 R76 D77 Y429	H40-S74 PolarHBondContact CD2-OG 3.37Å; S74-R76 PolarHBondContact O-N 3.26Å; S74-R76 WeakPolarHBondContact OG-CG 3.41Å; S74-D77 WeakPolarHBondContact CA-OD2 3.48Å; S74-D77 WeakPolarHBondContact CB-OD2 3.33Å; S74-D77 PolarHBondContact N-OD2 3.36Å; S74-D77 VanDerWaalsContact O-CB 3.32Å; S74-D77 WeakPolarHBondContact O-CB 3.17Å; S74-D77 PolarHBondContact O-N 2.85Å; S74-D77 PolarHBondContact OG-OD2 3.02Å; S74-Y429 VanDerWaalsContact C-CD2 3.48Å; S74-Y429 VanDerWaalsContact C-CG 3.46Å; S74-Y429 VanDerWaalsContact CA-CD2 3.46Å
75	K	97.9	Very high	97.3	Very high	139 Å²	139	61 Å²	61	60%	0.604	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-51.6	-35.5	-178.2	-175.9	176.9	179.4	179.9	0	114.2	D77 T78 M79 Y429	K75-D77 PolarHBondContact O-N 3.37Å; K75-T78 PolarHBondContact O-N 2.73Å; K75-M79 HydrophobicContact CD-SD 4.47Å; K75-M79 HydrophobicContact CG-SD 4.09Å; K75-M79 WeakPolarHBondContact O-CG 3.47Å; K75-M79 PolarHBondContact O-N 2.67Å; K75-Y429 HydrophobicContact CB-CE1 4.19Å
76	R	96.8	Very high	97.3	Very high	76 Å²	76	60.5 Å²	60.5	29%	0.287	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-67	-22.3	-178.3	80.7	-168.4	-173.7	150.8	10.5	113.6	P38 L39 S74 T78	P38-R76 PolarHBondContact O-NH2 3.27Å; L39-R76 PolarHBondContact O-NH2 3.15Å; S74-R76 PolarHBondContact O-N 3.26Å; S74-R76 WeakPolarHBondContact OG-CG 3.41Å; R76-T78 PolarHBondContact O-N 3.46Å
77	D	97.2	Very high	97.4	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.059	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-74.3	-18.2	-177.7	-58.1	-85.9	0	0	0	111.8	Q37 K70 Y73 S74 K75 C433	Q37-D77 WeakPolarHBondContact CB-OD1 3.31Å; K70-D77 IonicContact NZ-OD1 3.1Å; K70-D77 PolarHBondContact NZ-OD1 2.7Å; Y73-D77 HydrophobicContact CD1-CB 4.29Å; S74-D77 WeakPolarHBondContact CA-OD2 3.48Å; S74-D77 WeakPolarHBondContact CB-OD2 3.33Å; S74-D77 PolarHBondContact N-OD2 3.36Å; S74-D77 VanDerWaalsContact O-CB 3.32Å; S74-D77 WeakPolarHBondContact O-CB 3.17Å; S74-D77 PolarHBondContact O-N 2.85Å; S74-D77 PolarHBondContact OG-OD2 3.02Å; K75-D77 PolarHBondContact O-N 3.37Å; D77-C433 PolarHBondContact O-SG 3.21Å; D77-C433 VanDerWaalsContact O-SG 3.39Å
78	T	96.6	Very high	97.4	Very high	24 Å²	24	61.7 Å²	61.7	15%	0.147	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-127.9	23.3	-178.1	65.1	0	0	0	0	113.9	K75 R76 D80 L81 Y429 E432	K75-T78 PolarHBondContact O-N 2.73Å; R76-T78 PolarHBondContact O-N 3.46Å; T78-D80 VanDerWaalsContact C-N 3.29Å; T78-D80 PolarHBondContact O-N 3.44Å; T78-L81 WeakPolarHBondContact O-CB 3.31Å; T78-L81 PolarHBondContact O-N 3.28Å; T78-Y429 HydrophobicContact CG2-CD1 4.43Å; T78-E432 HydrophobicContact CG2-CB 4Å
79	M	95.2	Very high	97.4	Very high	122 Å²	122	64.7 Å²	64.7	60%	0.601	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33	-178.5	-79.9	-67.8	-57.2	0	0	113.5	K75	K75-M79 HydrophobicContact CD-SD 4.47Å; K75-M79 HydrophobicContact CG-SD 4.09Å; K75-M79 WeakPolarHBondContact O-CG 3.47Å; K75-M79 PolarHBondContact O-N 2.67Å
80	D	93.4	Very high	97.4	Very high	164 Å²	164	65 Å²	65	88%	0.877	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	13.5	-178.7	-54.4	-42.7	0	0	0	112.8	T78	T78-D80 VanDerWaalsContact C-N 3.29Å; T78-D80 PolarHBondContact O-N 3.44Å
81	L	94.2	Very high	97.4	Very high	47 Å²	47	64.1 Å²	64.1	25%	0.246	33%	0.333	C	S	.	.			trans	-74.2	128.6	-179.2	-166.9	78	0	0	0	110.2	T78 E432	T78-L81 WeakPolarHBondContact O-CB 3.31Å; T78-L81 PolarHBondContact O-N 3.28Å; L81-E432 HydrophobicContact CD1-CB 4.16Å; L81-E432 HydrophobicContact CD2-CB 3.78Å; L81-E432 HydrophobicContact CD2-CG 3.54Å
82	P	96	Very high	97.5	Very high	58 Å²	58	61.6 Å²	61.6	38%	0.377	32%	0.316	S	S	.	.			trans	-69.2	151.4	176.7	29.5	-35.7	0	0	0	112	E84	P82-E84 HydrophobicContact CG-CG 4.19Å; P82-E84 PolarHBondContact O-N 3.25Å
83	E	97.9	Very high	97.5	Very high	186 Å²	186	61.2 Å²	61.2	87%	0.869	31%	0.31	S	S	*	.			trans	-72.3	94.4	169.7	-173.6	173.9	-158.2	0	0	110.1
84	E	98.5	Very high	97.5	Very high	21 Å²	21	60.2 Å²	60.2	10%	0.098	31%	0.306	C	S	.	.			trans	-92.6	148.8	174.6	-66.5	-165.2	-130.7	0	0	112.3	P82 P90 T92 R93 R327	P82-E84 HydrophobicContact CG-CG 4.19Å; P82-E84 PolarHBondContact O-N 3.25Å; E84-P90 WeakPolarHBondContact OE2-CD 3.29Å; E84-P90 WeakPolarHBondContact OE2-CG 3.45Å; E84-T92 PolarHBondContact OE1-OG1 3.12Å; E84-T92 VanDerWaalsContact OE1-OG1 3.08Å; E84-T92 WeakPolarHBondContact OE2-CB 3.38Å; E84-T92 PolarHBondContact OE2-OG1 3.15Å; E84-R93 HydrophobicContact CB-CG 4.08Å; E84-R93 WeakPolarHBondContact O-CD 3.45Å; E84-R93 PolarHBondContact O-NH1 3.27Å; E84-R327 IonicContact OE1-CZ 2.87Å; E84-R327 IonicContact OE1-NE 2.71Å; E84-R327 PolarHBondContact OE1-NE 3.21Å; E84-R327 IonicContact OE1-NH2 3.22Å; E84-R327 PolarHBondContact OE1-NH2 3.08Å
85	L	98.7	Very high	97.5	Very high	92 Å²	92	59.7 Å²	59.7	48%	0.482	30%	0.302	S	S	.	.			trans	-126.5	145.4	177.9	-63.7	176.1	0	0	0	111.1	V88	L85-V88 HydrophobicContact CB-CB 4.24Å; L85-V88 HydrophobicContact CB-CG2 3.92Å; L85-V88 PolarHBondContact O-N 3.07Å
86	P	98.6	Very high	97.5	Very high	23 Å²	23	57.7 Å²	57.7	15%	0.149	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	141.3	171	26.8	-34.9	0	0	0	110.7	V88 R93 P97 M99 A422	P86-V88 PolarHBondContact O-N 3.15Å; P86-R93 HydrophobicContact CB-CB 4.33Å; P86-P97 WeakPolarHBondContact CG-O 3.36Å; P86-P97 WeakPolarHBondContact O-CA 3.48Å; P86-M99 HydrophobicContact CB-CG 4.23Å; P86-A422 HydrophobicContact CG-CB 4.18Å
87	G	98.2	Very high	97.6	Very high	23 Å²	23	58.5 Å²	58.5	24%	0.237	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	5.7	-177.1	0	0	0	0	0	115.6	F91 G94	G87-F91 WeakPolarHBondContact O-CE1 3.44Å; G87-G94 PolarHBondContact N-O 3.06Å
88	V	98.6	Very high	97.7	Very high	78 Å²	78	61.5 Å²	61.5	47%	0.473	33%	0.325	S	S	.	.	S	Bend	trans	-116.4	138.4	173.9	-176.5	0	0	0	0	109.4	L85 P86 F91	L85-V88 HydrophobicContact CB-CB 4.24Å; L85-V88 HydrophobicContact CB-CG2 3.92Å; L85-V88 PolarHBondContact O-N 3.07Å; P86-V88 PolarHBondContact O-N 3.15Å; V88-F91 WeakPolarHBondContact O-CA 3.49Å; V88-F91 WeakPolarHBondContact O-CD1 3.43Å; V88-F91 PolarHBondContact O-N 2.98Å
89	K	98.2	Very high	97.8	Very high	98 Å²	98	61.1 Å²	61.1	43%	0.426	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	132.1	177.1	-173.2	-173.1	69.4	163	0	109.9	F91 E334 L345	K89-F91 HydrophobicContact CB-CD2 4.48Å; K89-F91 HydrophobicContact CB-CE2 3.87Å; K89-F91 HydrophobicContact CB-CZ 4.06Å; K89-F91 HydrophobicContact CG-CE2 4.18Å; K89-E334 IonicContact NZ-OE1 3.32Å; K89-E334 PolarHBondContact NZ-OE1 2.9Å; K89-E334 IonicContact NZ-OE2 3.7Å; K89-E334 PolarHBondContact NZ-OE2 3.27Å; K89-L345 HydrophobicContact CD-CD1 3.7Å; K89-L345 HydrophobicContact CG-CD1 4.25Å
90	P	98.4	Very high	97.9	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.123	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.6	22.7	13.1	39.3	-37.6	0	0	0	115.6	E84 T92 R326 R327 A330 H331	E84-P90 WeakPolarHBondContact OE2-CD 3.29Å; E84-P90 WeakPolarHBondContact OE2-CG 3.45Å; P90-T92 PolarHBondContact O-N 3.06Å; P90-T92 VanDerWaalsContact O-N 3.15Å; P90-R326 CarbonylContact O-C 3.39Å; P90-R327 HydrophobicContact CB-CG 3.99Å; P90-R327 HydrophobicContact CG-CG 3.91Å; P90-R327 WeakPolarHBondContact O-CA 3.48Å; P90-A330 HydrophobicContact CB-CB 4.29Å; P90-H331 WeakPolarHBondContact CB-NE2 3.43Å
91	F	98.7	Very high	98.2	Very high	9 Å²	9	52 Å²	52	4%	0.039	28%	0.277	C	S	.	.			trans	62.7	18.5	170.9	-45.1	-78.2	0	0	0	115.7	G87 V88 K89 R93 G94 R326 A330 L345 L346	G87-F91 WeakPolarHBondContact O-CE1 3.44Å; V88-F91 WeakPolarHBondContact O-CA 3.49Å; V88-F91 WeakPolarHBondContact O-CD1 3.43Å; V88-F91 PolarHBondContact O-N 2.98Å; K89-F91 HydrophobicContact CB-CD2 4.48Å; K89-F91 HydrophobicContact CB-CE2 3.87Å; K89-F91 HydrophobicContact CB-CZ 4.06Å; K89-F91 HydrophobicContact CG-CE2 4.18Å; F91-R93 PolarHBondContact O-N 3.22Å; F91-R93 VanDerWaalsContact O-N 3.16Å; F91-G94 PolarHBondContact O-N 3.47Å; F91-R326 HydrophobicContact CB-CB 4.43Å; F91-R326 WeakPolarHBondContact O-CB 3.34Å; F91-R326 WeakPolarHBondContact O-CD 3.21Å; F91-R326 PolarHBondContact O-NE 3.03Å; F91-A330 HydrophobicContact CD2-CB 4.01Å; F91-A330 HydrophobicContact CE2-CB 4.43Å; F91-L345 HydrophobicContact CE2-CB 3.8Å; F91-L346 HydrophobicContact CD1-CD2 3.5Å; F91-L346 HydrophobicContact CD2-CD2 4.02Å; F91-L346 HydrophobicContact CE1-CD2 3.38Å; F91-L346 HydrophobicContact CE2-CD2 3.93Å; F91-L346 HydrophobicContact CG-CD2 3.82Å; F91-L346 HydrophobicContact CZ-CD2 3.61Å
92	T	98.8	Very high	98.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-43.9	177.5	-48.1	0	0	0	0	111.1	E84 P90 G94 R323 R326 R327 T435	E84-T92 PolarHBondContact OE1-OG1 3.12Å; E84-T92 VanDerWaalsContact OE1-OG1 3.08Å; E84-T92 WeakPolarHBondContact OE2-CB 3.38Å; E84-T92 PolarHBondContact OE2-OG1 3.15Å; P90-T92 PolarHBondContact O-N 3.06Å; P90-T92 VanDerWaalsContact O-N 3.15Å; T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 3.03Å; T92-R323 HydrophobicContact CG2-CB 3.9Å; T92-R326 PolarHBondContact O-NE 2.95Å; T92-R326 PolarHBondContact O-NH2 3.18Å; T92-R327 PolarHBondContact OG1-NE 3.37Å; T92-T435 HydrophobicContact CG2-CG2 3.84Å
93	R	98.8	Very high	98.3	Very high	59 Å²	59	63.5 Å²	63.5	22%	0.223	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	3.4	-179.6	-52.6	-162.8	72.7	-172.2	-2.8	115	E84 P86 F91 D423	E84-R93 HydrophobicContact CB-CG 4.08Å; E84-R93 WeakPolarHBondContact O-CD 3.45Å; E84-R93 PolarHBondContact O-NH1 3.27Å; P86-R93 HydrophobicContact CB-CB 4.33Å; F91-R93 PolarHBondContact O-N 3.22Å; F91-R93 VanDerWaalsContact O-N 3.16Å; R93-D423 HydrophobicContact CB-CB 3.77Å; R93-D423 HydrophobicContact CG-CB 4.39Å; R93-D423 VanDerWaalsContact CG-OD2 3.3Å; R93-D423 WeakPolarHBondContact CG-OD2 3.16Å; R93-D423 IonicContact CZ-OD2 2.72Å; R93-D423 IonicContact NE-OD2 2.75Å; R93-D423 PolarHBondContact NE-OD2 3.2Å; R93-D423 PolarHBondContact NH2-O 3.03Å; R93-D423 IonicContact NH2-OD2 3.75Å; R93-D423 WeakPolarHBondContact O-CB 3.46Å
94	G	98.6	Very high	98.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.			trans	127.3	153.9	174.8	0	0	0	0	0	113.8	G87 F91 T92 Y96	G87-G94 PolarHBondContact N-O 3.06Å; F91-G94 PolarHBondContact O-N 3.47Å; T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 3.03Å; G94-Y96 VanDerWaalsContact C-N 3.34Å; G94-Y96 PolarHBondContact O-N 2.67Å
95	P	98.2	Very high	98.1	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.032	29%	0.287	C	S	.	.	S	Bend	trans	-77.2	-12.9	-174.8	30.4	-35.4	0	0	0	114.7	M99 L346	P95-M99 HydrophobicContact CG-SD 4.49Å; P95-L346 HydrophobicContact CB-CD2 3.93Å; P95-L346 WeakPolarHBondContact O-CD2 3.33Å
96	Y	98.4	Very high	97.8	Very high	97 Å²	97	54.1 Å²	54.1	38%	0.38	28%	0.276	S	S	.	.	S	Bend	trans	-130.9	139.9	-175.3	-55.3	-55	0	0	0	111.9	G94 T98 M99 L346 R348 Q383	G94-Y96 VanDerWaalsContact C-N 3.34Å; G94-Y96 PolarHBondContact O-N 2.67Å; Y96-T98 PolarHBondContact O-N 2.7Å; Y96-M99 WeakPolarHBondContact O-CG 3.18Å; Y96-M99 PolarHBondContact O-N 2.75Å; Y96-M99 VanDerWaalsContact O-N 3.13Å; Y96-L346 HydrophobicContact CE1-CD1 4.48Å; Y96-R348 WeakPolarHBondContact OH-CD 3.35Å; Y96-Q383 HydrophobicContact CE2-CG 3.83Å
97	P	98.6	Very high	97.4	Very high	93 Å²	93	54 Å²	54	60%	0.604	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.9	-173	-27.3	34.6	0	0	0	115.4	P86	P86-P97 WeakPolarHBondContact CG-O 3.36Å; P86-P97 WeakPolarHBondContact O-CA 3.48Å
98	T	98.6	Very high	96.9	Very high	73 Å²	73	54.5 Å²	54.5	45%	0.448	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.7	-178.6	55.7	0	0	0	0	113.3	Y96 Y100 T101	Y96-T98 PolarHBondContact O-N 2.7Å; T98-Y100 PolarHBondContact O-N 2.83Å; T98-Y100 VanDerWaalsContact O-N 3.1Å; T98-T101 WeakPolarHBondContact O-CG2 3.28Å; T98-T101 PolarHBondContact O-N 3.13Å; T98-T101 PolarHBondContact O-OG1 2.86Å
99	M	98.7	Very high	96.3	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.079	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	38.8	-119.1	-161.8	-67.5	-60.2	-70	0	0	110.7	P86 P95 Y96 A422	P86-M99 HydrophobicContact CB-CG 4.23Å; P95-M99 HydrophobicContact CG-SD 4.49Å; Y96-M99 WeakPolarHBondContact O-CG 3.18Å; Y96-M99 PolarHBondContact O-N 2.75Å; Y96-M99 VanDerWaalsContact O-N 3.13Å; M99-A422 HydrophobicContact CB-CB 3.93Å; M99-A422 HydrophobicContact CG-CB 4.07Å
100	Y	98.7	Very high	94.8	Very high	22 Å²	22	48.4 Å²	48.4	9%	0.086	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.1	-174.5	-48.7	-44.8	0	0	0	115.9	T98 F102 R103 W105 V378 G381 T382 P419	T98-Y100 PolarHBondContact O-N 2.83Å; T98-Y100 VanDerWaalsContact O-N 3.1Å; Y100-F102 PolarHBondContact O-N 2.68Å; Y100-R103 VanDerWaalsContact CA-O 3.29Å; Y100-R103 WeakPolarHBondContact CA-O 3.26Å; Y100-R103 CarbonylContact O-C 3.55Å; Y100-R103 PolarHBondContact O-N 3.3Å; Y100-W105 HydrophobicContact CD1-CB 4.48Å; Y100-W105 HydrophobicContact CD1-CE3 4.26Å; Y100-W105 HydrophobicContact CD2-CE3 4.31Å; Y100-W105 HydrophobicContact CE1-CB 3.82Å; Y100-W105 HydrophobicContact CE1-CE3 4.11Å; Y100-W105 HydrophobicContact CE2-CE3 4.16Å; Y100-W105 HydrophobicContact CG-CE3 4.35Å; Y100-V378 HydrophobicContact CD2-CG1 4.33Å; Y100-V378 HydrophobicContact CE2-CG1 3.84Å; Y100-V378 WeakPolarHBondContact CE2-O 3.35Å; Y100-G381 VanDerWaalsContact OH-CA 3.32Å; Y100-G381 WeakPolarHBondContact OH-CA 3.48Å; Y100-T382 VanDerWaalsContact CE1-O 3.27Å; Y100-T382 WeakPolarHBondContact CE1-O 3.24Å; Y100-T382 PolarHBondContact OH-N 2.9Å; Y100-T382 PolarHBondContact OH-O 3.4Å; Y100-P419 CarbonylContact C-O 3.56Å
101	T	98.5	Very high	93.3	Very high	74 Å²	74	48.4 Å²	48.4	45%	0.454	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.1	-167.6	64	0	0	0	0	114.1	T98 P419 K420	T98-T101 WeakPolarHBondContact O-CG2 3.28Å; T98-T101 PolarHBondContact O-N 3.13Å; T98-T101 PolarHBondContact O-OG1 2.86Å; T101-P419 WeakPolarHBondContact CA-O 3.41Å; T101-P419 PolarHBondContact N-O 3.14Å; T101-K420 WeakPolarHBondContact CG2-O 3.44Å
102	F	98	Very high	91.6	Very high	163 Å²	163	48.8 Å²	48.8	72%	0.715	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-37	173.3	-178.9	-113.6	0	0	0	113.8	Y100	Y100-F102 PolarHBondContact O-N 2.68Å
103	R	94.8	Very high	90.4	Very high	183 Å²	183	51.1 Å²	51.1	69%	0.691	25%	0.253	S	S	*	.	S	Bend	trans	-146.3	131.3	174.4	-71.8	-173.1	-179.7	-174.2	-1	109.7	Y100	Y100-R103 VanDerWaalsContact CA-O 3.29Å; Y100-R103 WeakPolarHBondContact CA-O 3.26Å; Y100-R103 CarbonylContact O-C 3.55Å; Y100-R103 PolarHBondContact O-N 3.3Å
104	P	96.8	Very high	89.5	Confident	56 Å²	56	48.8 Å²	48.8	36%	0.364	25%	0.246	S	C	.	.			trans	-71.1	178.5	179.3	32.7	-37	0	0	0	112.3	Q413	P104-Q413 HydrophobicContact CB-CG 3.8Å; P104-Q413 HydrophobicContact CG-CG 4.09Å
105	W	95.9	Very high	89	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.019	25%	0.25	C	S	.	.			trans	-59.9	156.1	169.9	69	91.9	0	0	0	111.2	Y100 I107 V378 T382 Q409 I412 Q413 P419	Y100-W105 HydrophobicContact CD1-CB 4.48Å; Y100-W105 HydrophobicContact CD1-CE3 4.26Å; Y100-W105 HydrophobicContact CD2-CE3 4.31Å; Y100-W105 HydrophobicContact CE1-CB 3.82Å; Y100-W105 HydrophobicContact CE1-CE3 4.11Å; Y100-W105 HydrophobicContact CE2-CE3 4.16Å; Y100-W105 HydrophobicContact CG-CE3 4.35Å; W105-I107 PolarHBondContact O-N 3.04Å; W105-V378 HydrophobicContact CD2-CG2 4.01Å; W105-V378 HydrophobicContact CE3-CG1 4.14Å; W105-V378 HydrophobicContact CE3-CG2 3.78Å; W105-V378 HydrophobicContact CH2-CB 4.47Å; W105-V378 HydrophobicContact CH2-CG1 4.14Å; W105-V378 HydrophobicContact CH2-CG2 3.44Å; W105-V378 VanDerWaalsContact CH2-CG2 3.44Å; W105-V378 HydrophobicContact CZ2-CG2 3.65Å; W105-V378 HydrophobicContact CZ3-CB 4.23Å; W105-V378 HydrophobicContact CZ3-CG1 3.6Å; W105-V378 HydrophobicContact CZ3-CG2 3.5Å; W105-T382 HydrophobicContact CB-CG2 4.24Å; W105-T382 HydrophobicContact CG-CG2 4.28Å; W105-Q409 HydrophobicContact CZ2-CB 4.18Å; W105-I412 HydrophobicContact CH2-CB 4.01Å; W105-I412 HydrophobicContact CH2-CG2 3.69Å; W105-I412 HydrophobicContact CZ3-CG2 4.46Å; W105-Q413 VanDerWaalsContact CE2-NE2 3.26Å; W105-Q413 HydrophobicContact CE3-CG 4.4Å; W105-Q413 HydrophobicContact CH2-CB 4.37Å; W105-Q413 HydrophobicContact CH2-CG 3.27Å; W105-Q413 HydrophobicContact CZ2-CG 3.46Å; W105-Q413 VanDerWaalsContact CZ2-CG 3.46Å; W105-Q413 HydrophobicContact CZ3-CG 3.79Å; W105-Q413 PolarHBondContact O-NE2 3.2Å; W105-P419 HydrophobicContact CZ3-CG 4.27Å
106	T	91.4	Very high	88.8	Confident	41 Å²	41	49.4 Å²	49.4	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.6	176.3	-48.4	0	0	0	0	110.6	R108 Q132 Q383 S384 L385	T106-R108 HydrophobicContact CG2-CG 3.98Å; T106-R108 PolarHBondContact O-N 3.38Å; T106-Q132 HydrophobicContact CG2-CB 3.88Å; T106-Q383 PolarHBondContact N-O 3.21Å; T106-S384 WeakPolarHBondContact O-CA 3.4Å; T106-S384 WeakPolarHBondContact O-CB 3.39Å; T106-L385 PolarHBondContact O-N 3.26Å; T106-L385 VanDerWaalsContact O-N 3.12Å
107	I	91.1	Very high	88.6	Confident	20 Å²	20	48.7 Å²	48.7	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	113.9	167.8	-57.3	-178.8	0	0	0	108.1	W105 Q109 R406 Q409 I410	W105-I107 PolarHBondContact O-N 3.04Å; I107-Q109 HydrophobicContact CG2-CG 4.41Å; I107-R406 HydrophobicContact CG2-CG 4.31Å; I107-Q409 HydrophobicContact CD1-CB 3.99Å; I107-Q409 HydrophobicContact CG1-CB 4.09Å; I107-I410 HydrophobicContact CD1-CG1 3.68Å
108	R	87.4	Confident	88.2	Confident	33 Å²	33	48.8 Å²	48.8	13%	0.125	24%	0.242	C	C	.	.			trans	-128.4	85.3	176.9	-74.1	-168.4	-178.3	-100.9	4.6	109	T106 L134 S183 L385 H386	T106-R108 HydrophobicContact CG2-CG 3.98Å; T106-R108 PolarHBondContact O-N 3.38Å; R108-L134 PolarHBondContact NH1-O 2.81Å; R108-S183 PolarHBondContact NH1-O 2.84Å; R108-S183 PolarHBondContact NH2-OG 3.17Å; R108-L385 CarbonylContact C-O 3.55Å; R108-L385 PolarHBondContact N-O 3.13Å; R108-H386 WeakPolarHBondContact O-CA 3.41Å; R108-H386 WeakPolarHBondContact O-CB 3.42Å
109	Q	85.1	Confident	87.8	Confident	7 Å²	7	45.3 Å²	45.3	3%	0.033	22%	0.221	C	C	.	.			trans	-69.8	129.7	172	-70.6	-57.5	100.8	0	0	110.2	I107 A111 S135 H386 T387 R406	I107-Q109 HydrophobicContact CG2-CG 4.41Å; Q109-A111 VanDerWaalsContact C-N 3.32Å; Q109-A111 PolarHBondContact O-N 2.75Å; Q109-A111 VanDerWaalsContact O-N 3.08Å; Q109-S135 PolarHBondContact O-OG 3.05Å; Q109-H386 PolarHBondContact OE1-CD2 3.43Å; Q109-T387 PolarHBondContact NE2-O 3.47Å; Q109-T387 VanDerWaalsContact OE1-N 3.16Å; Q109-T387 PolarHBondContact OE1-O 3.12Å; Q109-T387 PolarHBondContact OE1-OG1 3.45Å; Q109-R406 HydrophobicContact CG-CB 4.45Å
110	Y	68.2	Low	87.5	Confident	42 Å²	42	45.2 Å²	45.2	17%	0.165	22%	0.22	C	C	.	.			trans	-85.2	77.5	179.8	-144.8	-81.7	0	0	0	110.2	S135 V136 A137 T187 H386	Y110-S135 WeakPolarHBondContact CA-OG 3.45Å; Y110-V136 VanDerWaalsContact OH-C 3.26Å; Y110-V136 PolarHBondContact OH-N 3.22Å; Y110-V136 PolarHBondContact OH-O 3.12Å; Y110-A137 HydrophobicContact CD1-CB 4.26Å; Y110-A137 HydrophobicContact CE1-CB 3.79Å; Y110-T187 HydrophobicContact CE1-CG2 3.97Å; Y110-T187 HydrophobicContact CE2-CG2 3.59Å; Y110-T187 WeakPolarHBondContact OH-CB 3.26Å; Y110-T187 WeakPolarHBondContact OH-CG2 3.23Å; Y110-T187 PolarHBondContact OH-N 3.06Å; Y110-T187 PolarHBondContact OH-OG1 3.12Å; Y110-H386 WeakPolarHBondContact CB-CE1 3.47Å; Y110-H386 WeakPolarHBondContact CB-ND1 3.45Å; Y110-H386 PolarHBondContact N-CD2 3.17Å; Y110-H386 PolarHBondContact N-NE2 3.27Å
111	A	65.5	Low	87.3	Confident	19 Å²	19	50.3 Å²	50.3	16%	0.157	24%	0.243	C	C	.	.			trans	-122.3	134	-169.8	0	0	0	0	0	111.4	Q109 F122 S135	Q109-A111 VanDerWaalsContact C-N 3.32Å; Q109-A111 PolarHBondContact O-N 2.75Å; Q109-A111 VanDerWaalsContact O-N 3.08Å; A111-F122 HydrophobicContact CB-CD1 4.39Å; A111-F122 HydrophobicContact CB-CE1 3.31Å; A111-F122 HydrophobicContact CB-CZ 3.64Å; A111-S135 PolarHBondContact N-OG 2.83Å; A111-S135 VanDerWaalsContact N-OG 3.1Å; A111-S135 PolarHBondContact O-OG 3.11Å
112	G	64.3	Low	86.7	Confident	17 Å²	17	48.4 Å²	48.4	18%	0.175	23%	0.228	C	C	.	.			trans	-158	158.3	177.7	0	0	0	0	0	108.8
113	F	73.7	Confident	86.2	Confident	49 Å²	49	40.7 Å²	40.7	22%	0.215	20%	0.195	C	C	.	.			trans	-114.2	169.3	176.6	-71.3	-101.7	0	0	0	108.9	T115 E118 S119 F122 G161 V162	F113-T115 PolarHBondContact O-N 3.37Å; F113-T115 VanDerWaalsContact O-N 3.13Å; F113-E118 HydrophobicContact CB-CB 3.61Å; F113-E118 HydrophobicContact CD1-CB 4.26Å; F113-E118 HydrophobicContact CG-CB 3.89Å; F113-S119 PolarHBondContact N-OG 2.8Å; F113-S119 PolarHBondContact O-OG 2.82Å; F113-F122 HydrophobicContact CD2-CB 4.01Å; F113-F122 HydrophobicContact CD2-CD1 4.49Å; F113-F122 HydrophobicContact CD2-CG 4.15Å; F113-F122 HydrophobicContact CE2-CB 3.64Å; F113-F122 AromaticContact CE2-CD1 3.91Å; F113-F122 HydrophobicContact CE2-CD1 3.91Å; F113-F122 AromaticContact CE2-CD2 3.46Å; F113-F122 HydrophobicContact CE2-CD2 3.46Å; F113-F122 VanDerWaalsContact CE2-CD2 3.46Å; F113-F122 HydrophobicContact CE2-CE1 4.37Å; F113-F122 AromaticContact CE2-CE2 3.96Å; F113-F122 HydrophobicContact CE2-CE2 3.96Å; F113-F122 AromaticContact CE2-CG 3.4Å; F113-F122 HydrophobicContact CE2-CG 3.4Å; F113-F122 VanDerWaalsContact CE2-CG 3.4Å; F113-F122 HydrophobicContact CE2-CZ 4.37Å; F113-F122 AromaticContact CZ-CD2 3.88Å; F113-F122 HydrophobicContact CZ-CD2 3.88Å; F113-F122 HydrophobicContact CZ-CE2 4.25Å; F113-F122 HydrophobicContact CZ-CG 4.27Å; F113-G161 CarbonylContact O-C 3.43Å; F113-V162 VanDerWaalsContact O-CG1 3.24Å; F113-V162 WeakPolarHBondContact O-CG1 3.45Å
114	S	79.2	Confident	86	Confident	10 Å²	10	34.9 Å²	34.9	7%	0.07	17%	0.174	C	C	.	.	S	Bend	trans	-60.2	-20.2	177.2	-60.8	0	0	0	0	114.6	G158 I505	S114-G158 VanDerWaalsContact CA-O 3.3Å; S114-G158 WeakPolarHBondContact CA-O 3.35Å; S114-G158 WeakPolarHBondContact CB-O 3.38Å; S114-G158 PolarHBondContact OG-O 3.14Å; S114-I505 WeakPolarHBondContact OG-CD1 3.48Å; S114-I505 WeakPolarHBondContact OG-CG1 3.46Å; S114-I505 WeakPolarHBondContact OG-CG2 3.33Å
115	T	89	Confident	85.5	Confident	15 Å²	15	34.9 Å²	34.9	9%	0.092	17%	0.172	C	C	.	.	S	Bend	trans	-122.1	151.3	-179.6	72.6	0	0	0	0	112.6	F113 E117 E118 S119 V510	F113-T115 PolarHBondContact O-N 3.37Å; F113-T115 VanDerWaalsContact O-N 3.13Å; T115-E117 VanDerWaalsContact C-N 3.27Å; T115-E117 WeakPolarHBondContact CB-OE2 3.23Å; T115-E117 PolarHBondContact O-N 2.73Å; T115-E118 WeakPolarHBondContact CB-OE2 3.42Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.39Å; T115-E118 WeakPolarHBondContact OG1-CB 3.4Å; T115-E118 VanDerWaalsContact OG1-CD 3.28Å; T115-E118 WeakPolarHBondContact OG1-CG 3.41Å; T115-E118 PolarHBondContact OG1-N 3.16Å; T115-E118 VanDerWaalsContact OG1-N 3.17Å; T115-E118 PolarHBondContact OG1-OE2 2.64Å; T115-S119 VanDerWaalsContact O-CB 3.32Å; T115-S119 WeakPolarHBondContact O-CB 3.49Å; T115-S119 PolarHBondContact O-N 3.22Å; T115-S119 VanDerWaalsContact O-N 3.08Å; T115-S119 PolarHBondContact O-OG 3.08Å; T115-V510 HydrophobicContact CG2-CG1 4.43Å; T115-V510 HydrophobicContact CG2-CG2 3.98Å
116	V	93.4	Very high	84.8	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-30.1	175.9	-67.2	0	0	0	0	111.6	N120 V162 I164 D169 I172 L173	V116-N120 WeakPolarHBondContact O-CB 3.48Å; V116-N120 PolarHBondContact O-N 3.28Å; V116-V162 HydrophobicContact CG1-CB 3.88Å; V116-V162 HydrophobicContact CG1-CG1 4.14Å; V116-V162 HydrophobicContact CG1-CG2 4.34Å; V116-I164 HydrophobicContact CG1-CD1 3.77Å; V116-D169 HydrophobicContact CG1-CB 4.43Å; V116-I172 HydrophobicContact CB-CG2 4.33Å; V116-I172 HydrophobicContact CG2-CB 3.95Å; V116-I172 HydrophobicContact CG2-CG2 3.65Å; V116-L173 HydrophobicContact CB-CB 4.06Å; V116-L173 HydrophobicContact CB-CD1 4.14Å; V116-L173 HydrophobicContact CG1-CB 4.1Å; V116-L173 HydrophobicContact CG1-CD1 4.2Å
117	E	94.2	Very high	84.4	Confident	82 Å²	82	36 Å²	36	38%	0.383	18%	0.175	S	C	.	.	H	α-helix	trans	-69.2	-45.8	178.5	-62.2	79.8	-178.2	0	0	112	T115 K121 I172 K517	T115-E117 VanDerWaalsContact C-N 3.27Å; T115-E117 WeakPolarHBondContact CB-OE2 3.23Å; T115-E117 PolarHBondContact O-N 2.73Å; E117-K121 PolarHBondContact O-N 3.4Å; E117-K121 VanDerWaalsContact O-N 3.11Å; E117-I172 HydrophobicContact CG-CG2 3.96Å; E117-K517 IonicContact OE1-NZ 3.76Å; E117-K517 PolarHBondContact OE1-NZ 2.95Å; E117-K517 IonicContact OE2-NZ 2.67Å
118	E	89.3	Confident	84.2	Confident	96 Å²	96	42.5 Å²	42.5	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-68.2	-42.3	175.1	-69.7	165.8	129.5	0	0	111.5	F113 T115 N120 K121 F122	F113-E118 HydrophobicContact CB-CB 3.61Å; F113-E118 HydrophobicContact CD1-CB 4.26Å; F113-E118 HydrophobicContact CG-CB 3.89Å; T115-E118 WeakPolarHBondContact CB-OE2 3.42Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.39Å; T115-E118 WeakPolarHBondContact OG1-CB 3.4Å; T115-E118 VanDerWaalsContact OG1-CD 3.28Å; T115-E118 WeakPolarHBondContact OG1-CG 3.41Å; T115-E118 PolarHBondContact OG1-N 3.16Å; T115-E118 VanDerWaalsContact OG1-N 3.17Å; T115-E118 PolarHBondContact OG1-OE2 2.64Å; E118-N120 PolarHBondContact O-N 3.23Å; E118-K121 PolarHBondContact O-N 2.94Å; E118-F122 WeakPolarHBondContact O-CB 3.3Å; E118-F122 PolarHBondContact O-N 3.46Å
119	S	89.9	Confident	84	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-44.2	175.9	-61.9	0	0	0	0	111.6	F113 T115 F122 Y123 V162	F113-S119 PolarHBondContact N-OG 2.8Å; F113-S119 PolarHBondContact O-OG 2.82Å; T115-S119 VanDerWaalsContact O-CB 3.32Å; T115-S119 WeakPolarHBondContact O-CB 3.49Å; T115-S119 PolarHBondContact O-N 3.22Å; T115-S119 VanDerWaalsContact O-N 3.08Å; T115-S119 PolarHBondContact O-OG 3.08Å; S119-F122 PolarHBondContact O-N 3.44Å; S119-Y123 WeakPolarHBondContact O-CD1 3.28Å; S119-Y123 WeakPolarHBondContact O-CD2 3.36Å; S119-Y123 PolarHBondContact O-N 3.46Å; S119-V162 WeakPolarHBondContact OG-CG1 3.47Å
120	N	94.2	Very high	83.6	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-47.6	175.1	178.9	-92.5	0	0	0	112.3	V116 E118 F122 Y123 K124 I172 L173 D175	V116-N120 WeakPolarHBondContact O-CB 3.48Å; V116-N120 PolarHBondContact O-N 3.28Å; E118-N120 PolarHBondContact O-N 3.23Å; N120-F122 VanDerWaalsContact C-N 3.32Å; N120-F122 PolarHBondContact O-N 3Å; N120-Y123 PolarHBondContact O-N 3.42Å; N120-K124 WeakPolarHBondContact O-CG 3.32Å; N120-K124 PolarHBondContact O-N 3.2Å; N120-K124 WeakPolarHBondContact OD1-CD 3.28Å; N120-K124 WeakPolarHBondContact OD1-CE 3.2Å; N120-K124 PolarHBondContact OD1-NZ 2.85Å; N120-I172 PolarHBondContact ND2-O 2.87Å; N120-L173 WeakPolarHBondContact CB-O 3.25Å; N120-L173 PolarHBondContact ND2-O 3.19Å; N120-D175 PolarHBondContact ND2-N 2.98Å; N120-D175 PolarHBondContact ND2-O 3.43Å
121	K	92.4	Very high	83.9	Confident	129 Å²	129	44.2 Å²	44.2	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-56.6	-48.1	175	172.8	177.3	166.5	44.9	0	111	E117 E118 K124 D125	E117-K121 PolarHBondContact O-N 3.4Å; E117-K121 VanDerWaalsContact O-N 3.11Å; E118-K121 PolarHBondContact O-N 2.94Å; K121-K124 WeakPolarHBondContact O-CB 3.35Å; K121-K124 PolarHBondContact O-N 3.38Å; K121-D125 IonicContact NZ-OD2 2.69Å; K121-D125 PolarHBondContact NZ-OD2 3.1Å; K121-D125 PolarHBondContact O-N 2.87Å
122	F	85.9	Confident	84.4	Confident	34 Å²	34	49.8 Å²	49.8	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-38	-178.7	177.7	-96	0	0	0	112.7	A111 F113 E118 S119 N120 D125 N126	A111-F122 HydrophobicContact CB-CD1 4.39Å; A111-F122 HydrophobicContact CB-CE1 3.31Å; A111-F122 HydrophobicContact CB-CZ 3.64Å; F113-F122 HydrophobicContact CD2-CB 4.01Å; F113-F122 HydrophobicContact CD2-CD1 4.49Å; F113-F122 HydrophobicContact CD2-CG 4.15Å; F113-F122 HydrophobicContact CE2-CB 3.64Å; F113-F122 AromaticContact CE2-CD1 3.91Å; F113-F122 HydrophobicContact CE2-CD1 3.91Å; F113-F122 AromaticContact CE2-CD2 3.46Å; F113-F122 HydrophobicContact CE2-CD2 3.46Å; F113-F122 VanDerWaalsContact CE2-CD2 3.46Å; F113-F122 HydrophobicContact CE2-CE1 4.37Å; F113-F122 AromaticContact CE2-CE2 3.96Å; F113-F122 HydrophobicContact CE2-CE2 3.96Å; F113-F122 AromaticContact CE2-CG 3.4Å; F113-F122 HydrophobicContact CE2-CG 3.4Å; F113-F122 VanDerWaalsContact CE2-CG 3.4Å; F113-F122 HydrophobicContact CE2-CZ 4.37Å; F113-F122 AromaticContact CZ-CD2 3.88Å; F113-F122 HydrophobicContact CZ-CD2 3.88Å; F113-F122 HydrophobicContact CZ-CE2 4.25Å; F113-F122 HydrophobicContact CZ-CG 4.27Å; E118-F122 WeakPolarHBondContact O-CB 3.3Å; E118-F122 PolarHBondContact O-N 3.46Å; S119-F122 PolarHBondContact O-N 3.44Å; N120-F122 VanDerWaalsContact C-N 3.32Å; N120-F122 PolarHBondContact O-N 3Å; F122-D125 PolarHBondContact O-N 3.38Å; F122-N126 WeakPolarHBondContact CE1-ND2 3.4Å; F122-N126 WeakPolarHBondContact CZ-ND2 3.31Å; F122-N126 WeakPolarHBondContact O-CB 3.44Å; F122-N126 PolarHBondContact O-N 3.22Å
123	Y	87.8	Confident	85.3	Confident	1 Å²	1	49 Å²	49	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-46.6	170.9	-60.7	-25.3	0	0	0	111.4	S119 N120 D125 N126 I127 L134 S135 L173	S119-Y123 WeakPolarHBondContact O-CD1 3.28Å; S119-Y123 WeakPolarHBondContact O-CD2 3.36Å; S119-Y123 PolarHBondContact O-N 3.46Å; N120-Y123 PolarHBondContact O-N 3.42Å; Y123-D125 VanDerWaalsContact C-N 3.3Å; Y123-D125 PolarHBondContact O-N 3.48Å; Y123-N126 PolarHBondContact O-N 3.47Å; Y123-I127 WeakPolarHBondContact O-CB 3.3Å; Y123-I127 WeakPolarHBondContact O-CD1 3.47Å; Y123-I127 WeakPolarHBondContact O-CG1 3.39Å; Y123-I127 PolarHBondContact O-N 3.45Å; Y123-L134 HydrophobicContact CD1-CD2 3.99Å; Y123-L134 HydrophobicContact CD2-CD1 4.33Å; Y123-L134 HydrophobicContact CG-CD1 4.29Å; Y123-L134 HydrophobicContact CG-CD2 3.99Å; Y123-S135 WeakPolarHBondContact CE1-O 3.4Å; Y123-S135 PolarHBondContact OH-O 3.42Å; Y123-L173 HydrophobicContact CD2-CD1 4.49Å; Y123-L173 HydrophobicContact CE2-CD1 3.63Å; Y123-L173 HydrophobicContact CE2-CG 4.04Å
124	K	90.9	Very high	85.9	Confident	61 Å²	61	46.7 Å²	46.7	27%	0.265	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-41	175.8	-73.4	170.2	175.3	160.9	0	111.7	N120 K121 K128 D175 I177	N120-K124 WeakPolarHBondContact O-CG 3.32Å; N120-K124 PolarHBondContact O-N 3.2Å; N120-K124 WeakPolarHBondContact OD1-CD 3.28Å; N120-K124 WeakPolarHBondContact OD1-CE 3.2Å; N120-K124 PolarHBondContact OD1-NZ 2.85Å; K121-K124 WeakPolarHBondContact O-CB 3.35Å; K121-K124 PolarHBondContact O-N 3.38Å; K124-K128 WeakPolarHBondContact O-CE 3.37Å; K124-K128 VanDerWaalsContact O-CG 3.32Å; K124-K128 WeakPolarHBondContact O-CG 3.44Å; K124-K128 PolarHBondContact O-N 2.77Å; K124-D175 WeakPolarHBondContact CE-O 3.42Å; K124-D175 PolarHBondContact NZ-O 3.32Å; K124-D175 IonicContact NZ-OD2 2.78Å; K124-D175 PolarHBondContact NZ-OD2 3.48Å; K124-I177 HydrophobicContact CG-CD1 3.72Å
125	D	87.5	Confident	86.4	Confident	57 Å²	57	46.4 Å²	46.4	31%	0.305	24%	0.24	S	C	.	.	H	α-helix	trans	-75.3	-35.7	-179.7	-69.4	-23.5	0	0	0	112.4	K121 F122 Y123 K128 A129	K121-D125 IonicContact NZ-OD2 2.69Å; K121-D125 PolarHBondContact NZ-OD2 3.1Å; K121-D125 PolarHBondContact O-N 2.87Å; F122-D125 PolarHBondContact O-N 3.38Å; Y123-D125 VanDerWaalsContact C-N 3.3Å; Y123-D125 PolarHBondContact O-N 3.48Å; D125-K128 PolarHBondContact O-N 2.89Å; D125-K128 IonicContact OD1-NZ 2.8Å; D125-K128 PolarHBondContact OD1-NZ 2.93Å; D125-A129 PolarHBondContact O-N 2.85Å; D125-A129 VanDerWaalsContact O-N 3.13Å
126	N	80.5	Confident	86.5	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-71.8	-35.5	175.4	-77.3	3.5	0	0	0	113.8	F122 Y123 K128 A129 G130 Q131 R406	F122-N126 WeakPolarHBondContact CE1-ND2 3.4Å; F122-N126 WeakPolarHBondContact CZ-ND2 3.31Å; F122-N126 WeakPolarHBondContact O-CB 3.44Å; F122-N126 PolarHBondContact O-N 3.22Å; Y123-N126 PolarHBondContact O-N 3.47Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.38Å; N126-A129 CarbonylContact O-C 3.49Å; N126-A129 WeakPolarHBondContact O-CA 3.45Å; N126-A129 PolarHBondContact O-N 2.88Å; N126-G130 PolarHBondContact O-N 3.44Å; N126-Q131 HydrophobicContact CB-CB 3.92Å; N126-Q131 PolarHBondContact ND2-OE1 3.14Å; N126-Q131 WeakPolarHBondContact O-CB 3.24Å; N126-Q131 PolarHBondContact O-N 3.34Å; N126-R406 PolarHBondContact ND2-NH2 3.18Å; N126-R406 PolarHBondContact OD1-NH2 2.82Å
127	I	82.7	Confident	86.3	Confident	59 Å²	59	46.3 Å²	46.3	30%	0.303	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-42.8	173.4	-71.3	164	0	0	0	110	Y123 A129 G130 L134 I177 M182	Y123-I127 WeakPolarHBondContact O-CB 3.3Å; Y123-I127 WeakPolarHBondContact O-CD1 3.47Å; Y123-I127 WeakPolarHBondContact O-CG1 3.39Å; Y123-I127 PolarHBondContact O-N 3.45Å; I127-A129 VanDerWaalsContact C-N 3.27Å; I127-A129 PolarHBondContact O-N 2.95Å; I127-G130 PolarHBondContact O-N 2.9Å; I127-L134 HydrophobicContact CD1-CD2 4.27Å; I127-L134 HydrophobicContact CG1-CD2 4.25Å; I127-I177 HydrophobicContact CD1-CD1 4Å; I127-M182 HydrophobicContact CD1-CE 3.77Å; I127-M182 HydrophobicContact CD1-CG 4.46Å; I127-M182 HydrophobicContact CD1-SD 4.03Å; I127-M182 HydrophobicContact CG1-CE 3.71Å; I127-M182 HydrophobicContact CG1-SD 4.33Å
128	K	87.8	Confident	86.3	Confident	158 Å²	158	42.7 Å²	42.7	69%	0.687	22%	0.224	S	C	*	.	H	α-helix	trans	-62.6	-34.3	173.1	-62.1	164.3	-160.2	162.2	0	112.3	K124 D125 N126 G130	K124-K128 WeakPolarHBondContact O-CE 3.37Å; K124-K128 VanDerWaalsContact O-CG 3.32Å; K124-K128 WeakPolarHBondContact O-CG 3.44Å; K124-K128 PolarHBondContact O-N 2.77Å; D125-K128 PolarHBondContact O-N 2.89Å; D125-K128 IonicContact OD1-NZ 2.8Å; D125-K128 PolarHBondContact OD1-NZ 2.93Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.38Å; K128-G130 PolarHBondContact O-N 3.01Å
129	A	82.7	Confident	86.6	Confident	56 Å²	56	38.1 Å²	38.1	46%	0.463	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	14.1	177.4	0	0	0	0	0	114.4	D125 N126 I127	D125-A129 PolarHBondContact O-N 2.85Å; D125-A129 VanDerWaalsContact O-N 3.13Å; N126-A129 CarbonylContact O-C 3.49Å; N126-A129 WeakPolarHBondContact O-CA 3.45Å; N126-A129 PolarHBondContact O-N 2.88Å; I127-A129 VanDerWaalsContact C-N 3.27Å; I127-A129 PolarHBondContact O-N 2.95Å
130	G	75.7	Confident	86.9	Confident	53 Å²	53	38.7 Å²	38.7	55%	0.546	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	6.7	172.8	0	0	0	0	0	116.2	N126 I127 K128 Q132	N126-G130 PolarHBondContact O-N 3.44Å; I127-G130 PolarHBondContact O-N 2.9Å; K128-G130 PolarHBondContact O-N 3.01Å; G130-Q132 PolarHBondContact O-N 3.3Å
131	Q	76	Confident	87.1	Confident	8 Å²	8	38 Å²	38	4%	0.037	20%	0.202	C	C	.	.			trans	-66.7	123.3	174.6	-178.9	164.6	-19.7	0	0	110.9	N126 G133	N126-Q131 HydrophobicContact CB-CB 3.92Å; N126-Q131 PolarHBondContact ND2-OE1 3.14Å; N126-Q131 WeakPolarHBondContact O-CB 3.24Å; N126-Q131 PolarHBondContact O-N 3.34Å; Q131-G133 VanDerWaalsContact CG-O 3.31Å; Q131-G133 WeakPolarHBondContact CG-O 3.49Å; Q131-G133 PolarHBondContact NE2-O 2.79Å
132	Q	75.1	Confident	87.4	Confident	137 Å²	137	32 Å²	32	64%	0.64	18%	0.176	S	C	*	.			trans	-92.8	-14.2	-169.5	-64.9	-178.5	-13.7	0	0	114.8	T106 G130	T106-Q132 HydrophobicContact CG2-CB 3.88Å; G130-Q132 PolarHBondContact O-N 3.3Å
133	G	83	Confident	88	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.3	179	0	0	0	0	0	111.1	Q131	Q131-G133 VanDerWaalsContact CG-O 3.31Å; Q131-G133 WeakPolarHBondContact CG-O 3.49Å; Q131-G133 PolarHBondContact NE2-O 2.79Å
134	L	87.9	Confident	88.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	159.8	-178.8	-59	-179.8	0	0	0	111.3	R108 Y123 I127 I177 M182 S183 S185	R108-L134 PolarHBondContact NH1-O 2.81Å; Y123-L134 HydrophobicContact CD1-CD2 3.99Å; Y123-L134 HydrophobicContact CD2-CD1 4.33Å; Y123-L134 HydrophobicContact CG-CD1 4.29Å; Y123-L134 HydrophobicContact CG-CD2 3.99Å; I127-L134 HydrophobicContact CD1-CD2 4.27Å; I127-L134 HydrophobicContact CG1-CD2 4.25Å; L134-I177 HydrophobicContact CD1-CG2 3.67Å; L134-M182 HydrophobicContact CD1-CB 4.36Å; L134-M182 HydrophobicContact CD1-CE 4.26Å; L134-M182 HydrophobicContact CD1-CG 4.45Å; L134-M182 HydrophobicContact CD2-CE 4.16Å; L134-M182 HydrophobicContact CG-CE 3.84Å; L134-S183 PolarHBondContact N-O 2.87Å; L134-S185 WeakPolarHBondContact O-CB 3.36Å; L134-S185 PolarHBondContact O-N 2.71Å
135	S	87.9	Confident	88.8	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.5	175.8	56.5	0	0	0	0	109.2	Q109 Y110 A111 Y123 S185	Q109-S135 PolarHBondContact O-OG 3.05Å; Y110-S135 WeakPolarHBondContact CA-OG 3.45Å; A111-S135 PolarHBondContact N-OG 2.83Å; A111-S135 VanDerWaalsContact N-OG 3.1Å; A111-S135 PolarHBondContact O-OG 3.11Å; Y123-S135 WeakPolarHBondContact CE1-O 3.4Å; Y123-S135 PolarHBondContact OH-O 3.42Å; S135-S185 CarbonylContact C-O 3.41Å; S135-S185 VanDerWaalsContact CA-O 3.25Å; S135-S185 WeakPolarHBondContact CA-O 3.29Å
136	V	91.3	Very high	89.4	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	106	175.6	-171.4	0	0	0	0	110.2	Y110 F138 V162 L173 F174 V184 S185 M186	Y110-V136 VanDerWaalsContact OH-C 3.26Å; Y110-V136 PolarHBondContact OH-N 3.22Å; Y110-V136 PolarHBondContact OH-O 3.12Å; V136-F138 HydrophobicContact CB-CE1 4.44Å; V136-F138 HydrophobicContact CB-CE2 4.04Å; V136-F138 HydrophobicContact CB-CZ 3.86Å; V136-F138 HydrophobicContact CG1-CD1 4.09Å; V136-F138 HydrophobicContact CG1-CD2 4.4Å; V136-F138 HydrophobicContact CG1-CE1 3.59Å; V136-F138 HydrophobicContact CG1-CE2 3.94Å; V136-F138 HydrophobicContact CG1-CG 4.48Å; V136-F138 HydrophobicContact CG1-CZ 3.51Å; V136-F138 VanDerWaalsContact O-CD2 3.31Å; V136-F138 WeakPolarHBondContact O-CD2 3.45Å; V136-F138 WeakPolarHBondContact O-CE2 3.42Å; V136-V162 HydrophobicContact CG1-CG2 3.85Å; V136-L173 HydrophobicContact CG1-CD2 3.76Å; V136-L173 HydrophobicContact CG2-CD2 4.13Å; V136-F174 HydrophobicContact CG2-CE1 4.38Å; V136-F174 HydrophobicContact CG2-CZ 3.89Å; V136-V184 HydrophobicContact CG2-CG1 4.08Å; V136-S185 PolarHBondContact N-O 3.07Å; V136-M186 HydrophobicContact CB-CG 4.37Å; V136-M186 HydrophobicContact CG2-CG 4.39Å
137	A	90.2	Very high	90.2	Very high	15 Å²	15	25.7 Å²	25.7	12%	0.124	15%	0.146	C	C	.	.			trans	-78.6	132.9	164.6	0	0	0	0	0	109.2	Y110 G161 V162	Y110-A137 HydrophobicContact CD1-CB 4.26Å; Y110-A137 HydrophobicContact CE1-CB 3.79Å; A137-G161 WeakPolarHBondContact O-CA 3.3Å; A137-V162 WeakPolarHBondContact O-CG2 3.36Å; A137-V162 PolarHBondContact O-N 2.94Å
138	F	94.5	Very high	91	Very high	5 Å²	5	23 Å²	23	2%	0.022	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-110.6	153.5	178.6	-56.1	-90.2	0	0	0	109.9	V136 T142 H143 V162 I164 M186 T187 M188 V195	V136-F138 HydrophobicContact CB-CE1 4.44Å; V136-F138 HydrophobicContact CB-CE2 4.04Å; V136-F138 HydrophobicContact CB-CZ 3.86Å; V136-F138 HydrophobicContact CG1-CD1 4.09Å; V136-F138 HydrophobicContact CG1-CD2 4.4Å; V136-F138 HydrophobicContact CG1-CE1 3.59Å; V136-F138 HydrophobicContact CG1-CE2 3.94Å; V136-F138 HydrophobicContact CG1-CG 4.48Å; V136-F138 HydrophobicContact CG1-CZ 3.51Å; V136-F138 VanDerWaalsContact O-CD2 3.31Å; V136-F138 WeakPolarHBondContact O-CD2 3.45Å; V136-F138 WeakPolarHBondContact O-CE2 3.42Å; F138-T142 HydrophobicContact CB-CG2 4.14Å; F138-T142 HydrophobicContact CD1-CG2 3.96Å; F138-T142 HydrophobicContact CG-CG2 4.33Å; F138-H143 PolarHBondContact O-CD2 2.75Å; F138-V162 WeakPolarHBondContact CA-O 3.38Å; F138-V162 HydrophobicContact CD1-CG2 4.17Å; F138-I164 HydrophobicContact CD1-CG1 3.85Å; F138-I164 HydrophobicContact CE1-CG1 3.97Å; F138-M186 HydrophobicContact CE2-CB 3.93Å; F138-M186 HydrophobicContact CE2-CG 4.35Å; F138-M186 HydrophobicContact CZ-CB 4.12Å; F138-M186 HydrophobicContact CZ-CG 4.09Å; F138-M186 HydrophobicContact CZ-SD 4.27Å; F138-T187 WeakPolarHBondContact CD2-O 3.12Å; F138-M188 HydrophobicContact CB-CE 3.55Å; F138-M188 HydrophobicContact CD1-CE 4.15Å; F138-M188 HydrophobicContact CD2-CB 4.35Å; F138-M188 HydrophobicContact CD2-CE 3.44Å; F138-M188 VanDerWaalsContact CD2-CE 3.44Å; F138-M188 HydrophobicContact CE2-CB 4.1Å; F138-M188 HydrophobicContact CE2-CE 4.13Å; F138-M188 HydrophobicContact CG-CE 3.44Å; F138-M188 VanDerWaalsContact CG-CE 3.44Å; F138-V195 HydrophobicContact CE1-CG1 3.69Å; F138-V195 HydrophobicContact CE2-CG1 4.23Å; F138-V195 HydrophobicContact CZ-CG1 3.5Å
139	D	94.9	Very high	91.5	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.			trans	-69.8	167.9	172	73.1	6.3	0	0	0	112.8	A141 T142 H143 V157 G158 V162 A163	D139-A141 VanDerWaalsContact C-N 3.27Å; D139-A141 PolarHBondContact O-N 2.72Å; D139-A141 PolarHBondContact OD1-N 2.73Å; D139-T142 PolarHBondContact O-N 3.5Å; D139-T142 WeakPolarHBondContact OD1-CB 3.35Å; D139-T142 PolarHBondContact OD1-N 3.49Å; D139-T142 PolarHBondContact OD1-OG1 3.21Å; D139-H143 WeakPolarHBondContact O-CB 3.28Å; D139-H143 PolarHBondContact O-CD2 3.31Å; D139-H143 PolarHBondContact O-N 2.84Å; D139-V157 VanDerWaalsContact OD2-CA 3.32Å; D139-V157 WeakPolarHBondContact OD2-CA 3.4Å; D139-G158 PolarHBondContact OD2-N 3.13Å; D139-V162 PolarHBondContact N-O 2.83Å; D139-A163 WeakPolarHBondContact OD2-CA 3.3Å; D139-A163 VanDerWaalsContact OD2-CB 3.26Å; D139-A163 WeakPolarHBondContact OD2-CB 3.47Å
140	L	96.5	Very high	92.2	Very high	12 Å²	12	18.5 Å²	18.5	6%	0.063	11%	0.108	C	C	.	.	H	α-helix	trans	-72.3	-22.7	-176.2	-63.5	174.4	0	0	0	112.8	R144 D156 A160 T230 Q624 A675	L140-R144 PolarHBondContact O-N 3.03Å; L140-D156 HydrophobicContact CB-CB 4.3Å; L140-A160 HydrophobicContact CG-CB 4.1Å; L140-T230 HydrophobicContact CD2-CG2 4.35Å; L140-Q624 HydrophobicContact CB-CB 3.6Å; L140-Q624 HydrophobicContact CD1-CB 4.44Å; L140-A675 HydrophobicContact CD1-CB 3.58Å
141	A	97.5	Very high	93.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-55	171.9	0	0	0	0	0	110.9	D139 H143 R144 G145 Y146 V153 V157	D139-A141 VanDerWaalsContact C-N 3.27Å; D139-A141 PolarHBondContact O-N 2.72Å; D139-A141 PolarHBondContact OD1-N 2.73Å; A141-H143 VanDerWaalsContact C-N 3.32Å; A141-H143 PolarHBondContact O-N 2.75Å; A141-R144 PolarHBondContact O-N 3.4Å; A141-G145 PolarHBondContact O-N 2.99Å; A141-G145 VanDerWaalsContact O-N 3.14Å; A141-Y146 PolarHBondContact O-N 3.49Å; A141-V153 HydrophobicContact CB-CB 3.78Å; A141-V153 HydrophobicContact CB-CG1 4.07Å; A141-V153 HydrophobicContact CB-CG2 3.71Å; A141-V157 HydrophobicContact CB-CG2 4.41Å
142	T	98.4	Very high	94	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-56.8	-47.1	175	-52.6	0	0	0	0	110.1	F138 D139 R144 G145 I164 M188 A191 V195	F138-T142 HydrophobicContact CB-CG2 4.14Å; F138-T142 HydrophobicContact CD1-CG2 3.96Å; F138-T142 HydrophobicContact CG-CG2 4.33Å; D139-T142 PolarHBondContact O-N 3.5Å; D139-T142 WeakPolarHBondContact OD1-CB 3.35Å; D139-T142 PolarHBondContact OD1-N 3.49Å; D139-T142 PolarHBondContact OD1-OG1 3.21Å; T142-R144 VanDerWaalsContact C-N 3.29Å; T142-R144 PolarHBondContact O-N 2.67Å; T142-G145 PolarHBondContact O-N 3.26Å; T142-G145 VanDerWaalsContact O-N 3.07Å; T142-I164 HydrophobicContact CG2-CB 3.94Å; T142-I164 PolarHBondContact OG1-N 3.02Å; T142-M188 HydrophobicContact CG2-CE 4.03Å; T142-A191 WeakPolarHBondContact O-CB 3.4Å; T142-V195 HydrophobicContact CG2-CG2 3.86Å
143	H	98.4	Very high	95	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-53.6	-41.5	179.7	-100.6	-64.9	0	0	0	114.3	F138 D139 A141 T187 M188 A191 R228 T230	F138-H143 PolarHBondContact O-CD2 2.75Å; D139-H143 WeakPolarHBondContact O-CB 3.28Å; D139-H143 PolarHBondContact O-CD2 3.31Å; D139-H143 PolarHBondContact O-N 2.84Å; A141-H143 VanDerWaalsContact C-N 3.32Å; A141-H143 PolarHBondContact O-N 2.75Å; H143-T187 PolarHBondContact CE1-O 3.47Å; H143-T187 PolarHBondContact NE2-O 3.28Å; H143-M188 HydrophobicContact CB-CE 4.39Å; H143-A191 PolarHBondContact O-N 3.05Å; H143-A191 VanDerWaalsContact O-N 3.09Å; H143-R228 PolarHBondContact CE1-NH1 3.37Å; H143-R228 PolarHBondContact CE1-NH2 2.93Å; H143-R228 PolarHBondContact NE2-NH2 3.38Å; H143-T230 HydrophobicContact CB-CG2 4.12Å
144	R	98.6	Very high	95.5	Very high	4 Å²	4	24 Å²	24	2%	0.015	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	12.7	-179.2	-61.7	-157.3	66.1	-109.4	-4.6	113.9	L140 A141 T142 Y146 Y231 I232	L140-R144 PolarHBondContact O-N 3.03Å; A141-R144 PolarHBondContact O-N 3.4Å; T142-R144 VanDerWaalsContact C-N 3.29Å; T142-R144 PolarHBondContact O-N 2.67Å; R144-Y146 HydrophobicContact CB-CD2 4.01Å; R144-Y146 HydrophobicContact CB-CE2 3.97Å; R144-Y231 PolarHBondContact NE-O 3.43Å; R144-Y231 PolarHBondContact NH2-O 3.43Å; R144-I232 VanDerWaalsContact O-CD1 3.32Å; R144-I232 WeakPolarHBondContact O-CD1 3.43Å
145	G	98.6	Very high	95.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	41.8	170.7	0	0	0	0	0	113.4	A141 T142 G563 T566	A141-G145 PolarHBondContact O-N 2.99Å; A141-G145 VanDerWaalsContact O-N 3.14Å; T142-G145 PolarHBondContact O-N 3.26Å; T142-G145 VanDerWaalsContact O-N 3.07Å; G145-G563 WeakPolarHBondContact O-CA 3.48Å; G145-T566 WeakPolarHBondContact CA-OG1 3.46Å; G145-T566 WeakPolarHBondContact O-CB 3.44Å
146	Y	98.7	Very high	95.8	Very high	13 Å²	13	23.9 Å²	23.9	5%	0.051	12%	0.12	C	C	.	.			trans	-115.3	143.3	173.6	-63.9	-64.9	0	0	0	111.2	A141 R144 N150 V153 E575	A141-Y146 PolarHBondContact O-N 3.49Å; R144-Y146 HydrophobicContact CB-CD2 4.01Å; R144-Y146 HydrophobicContact CB-CE2 3.97Å; Y146-N150 WeakPolarHBondContact CD1-ND2 3.39Å; Y146-V153 HydrophobicContact CD2-CG1 3.48Å; Y146-V153 VanDerWaalsContact CD2-CG1 3.48Å; Y146-V153 HydrophobicContact CE2-CG1 4.3Å; Y146-V153 HydrophobicContact CG-CG1 3.8Å; Y146-E575 PolarHBondContact OH-OE1 2.96Å
147	D	98.7	Very high	96	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.048	12%	0.119	C	C	.	.			trans	-70.8	151.7	165.9	-73.9	-0.6	0	0	0	110.8	D149 N150 L518 K522 T561 G563	D147-D149 VanDerWaalsContact CB-OD1 3.31Å; D147-D149 WeakPolarHBondContact CB-OD1 3.29Å; D147-D149 PolarHBondContact O-N 2.98Å; D147-D149 VanDerWaalsContact O-N 3.09Å; D147-N150 VanDerWaalsContact O-CB 3.25Å; D147-N150 WeakPolarHBondContact O-CB 3.39Å; D147-N150 PolarHBondContact O-N 2.92Å; D147-L518 HydrophobicContact CB-CD2 3.87Å; D147-K522 IonicContact OD2-NZ 2.96Å; D147-K522 PolarHBondContact OD2-NZ 3.39Å; D147-T561 WeakPolarHBondContact OD1-CB 3.33Å; D147-T561 PolarHBondContact OD1-OG1 3.17Å; D147-T561 VanDerWaalsContact OD2-CB 3.3Å; D147-T561 WeakPolarHBondContact OD2-CB 3.47Å; D147-T561 PolarHBondContact OD2-OG1 3.13Å; D147-G563 WeakPolarHBondContact OD1-CA 3.33Å; D147-G563 PolarHBondContact OD1-N 2.86Å
148	S	98.3	Very high	96	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.5	178.8	-59.4	0	0	0	0	115.3	D165 Q514	S148-D165 VanDerWaalsContact CB-OD1 3.29Å; S148-D165 WeakPolarHBondContact CB-OD1 3.42Å; S148-D165 PolarHBondContact N-OD1 2.95Å; S148-D165 PolarHBondContact OG-OD1 3.02Å; S148-D165 PolarHBondContact OG-OD2 3.27Å; S148-Q514 VanDerWaalsContact OG-CG 3.24Å; S148-Q514 WeakPolarHBondContact OG-CG 3.48Å
149	D	98	Very high	95.7	Very high	76 Å²	76	23.8 Å²	23.8	41%	0.406	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.9	171.9	67.8	-1.6	0	0	0	113.8	D147 I515 L518 K522	D147-D149 VanDerWaalsContact CB-OD1 3.31Å; D147-D149 WeakPolarHBondContact CB-OD1 3.29Å; D147-D149 PolarHBondContact O-N 2.98Å; D147-D149 VanDerWaalsContact O-N 3.09Å; D149-I515 HydrophobicContact CB-CG1 4.01Å; D149-L518 HydrophobicContact CB-CD2 3.95Å; D149-L518 VanDerWaalsContact OD2-CD2 3.32Å; D149-L518 WeakPolarHBondContact OD2-CD2 3.4Å; D149-K522 IonicContact OD2-NZ 2.85Å
150	N	97.9	Very high	95.3	Very high	45 Å²	45	26.1 Å²	26.1	24%	0.241	14%	0.136	C	C	.	.			trans	-71.1	126.9	-178.5	-169.5	-54.7	0	0	0	111.8	Y146 D147 R152 V153	Y146-N150 WeakPolarHBondContact CD1-ND2 3.39Å; D147-N150 VanDerWaalsContact O-CB 3.25Å; D147-N150 WeakPolarHBondContact O-CB 3.39Å; D147-N150 PolarHBondContact O-N 2.92Å; N150-R152 PolarHBondContact O-N 2.82Å; N150-R152 VanDerWaalsContact O-N 3.13Å; N150-R152 WeakPolarHBondContact OD1-CB 3.45Å; N150-R152 PolarHBondContact OD1-N 2.85Å; N150-V153 HydrophobicContact CB-CG2 4.14Å; N150-V153 WeakPolarHBondContact O-CG2 3.47Å; N150-V153 PolarHBondContact O-N 3.25Å
151	P	94.6	Very high	95	Very high	113 Å²	113	25.6 Å²	25.6	73%	0.734	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-57.3	-30.4	-179.5	-27.4	35.6	0	0	0	115	V153 R154	P151-V153 PolarHBondContact O-N 2.69Å; P151-R154 WeakPolarHBondContact O-CB 3.41Å; P151-R154 PolarHBondContact O-N 2.93Å
152	R	95.9	Very high	94.8	Very high	82 Å²	82	25.6 Å²	25.6	31%	0.309	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-72.4	-14	-176.8	-167.8	175.1	-76	-84.9	-1.7	113.4	N150 Q624 F651 T653 E656	N150-R152 PolarHBondContact O-N 2.82Å; N150-R152 VanDerWaalsContact O-N 3.13Å; N150-R152 WeakPolarHBondContact OD1-CB 3.45Å; N150-R152 PolarHBondContact OD1-N 2.85Å; R152-Q624 PolarHBondContact O-NE2 3.31Å; R152-F651 PolarHBondContact NH1-O 2.89Å; R152-T653 HydrophobicContact CG-CG2 4.35Å; R152-E656 IonicContact CZ-OE1 3.39Å; R152-E656 IonicContact CZ-OE2 2.85Å; R152-E656 IonicContact NH1-OE1 3.76Å; R152-E656 PolarHBondContact NH1-OE1 3.44Å; R152-E656 IonicContact NH1-OE2 3.62Å; R152-E656 PolarHBondContact NH1-OE2 3.47Å; R152-E656 IonicContact NH2-OE1 4Å; R152-E656 PolarHBondContact NH2-OE1 3.47Å; R152-E656 IonicContact NH2-OE2 3.23Å
153	V	96	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-113.5	13.2	179.9	-49.2	0	0	0	0	113.4	A141 Y146 N150 P151 G155 D156 V157 Q624	A141-V153 HydrophobicContact CB-CB 3.78Å; A141-V153 HydrophobicContact CB-CG1 4.07Å; A141-V153 HydrophobicContact CB-CG2 3.71Å; Y146-V153 HydrophobicContact CD2-CG1 3.48Å; Y146-V153 VanDerWaalsContact CD2-CG1 3.48Å; Y146-V153 HydrophobicContact CE2-CG1 4.3Å; Y146-V153 HydrophobicContact CG-CG1 3.8Å; N150-V153 HydrophobicContact CB-CG2 4.14Å; N150-V153 WeakPolarHBondContact O-CG2 3.47Å; N150-V153 PolarHBondContact O-N 3.25Å; P151-V153 PolarHBondContact O-N 2.69Å; V153-G155 PolarHBondContact O-N 3.3Å; V153-D156 WeakPolarHBondContact CA-OD2 3.45Å; V153-D156 HydrophobicContact CB-CB 4.4Å; V153-D156 PolarHBondContact O-N 3.16Å; V153-V157 HydrophobicContact CG2-CG2 3.98Å; V153-V157 PolarHBondContact O-N 3.21Å; V153-Q624 HydrophobicContact CB-CG 4.31Å; V153-Q624 HydrophobicContact CG1-CG 3.67Å
154	R	92.7	Very high	94.7	Very high	117 Å²	117	25.6 Å²	25.6	44%	0.442	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-35.7	-174.7	176.1	-178.5	171.3	78.2	4	114.3	P151 R511 T680	P151-R154 WeakPolarHBondContact O-CB 3.41Å; P151-R154 PolarHBondContact O-N 2.93Å; R154-R511 PolarHBondContact O-NH1 2.96Å; R154-T680 HydrophobicContact CG-CG2 4.46Å
155	G	89.6	Confident	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.3	-179.3	0	0	0	0	0	114.5	V153 M159 N507	V153-G155 PolarHBondContact O-N 3.3Å; G155-M159 VanDerWaalsContact O-CG 3.28Å; G155-M159 WeakPolarHBondContact O-CG 3.37Å; G155-N507 PolarHBondContact O-ND2 2.6Å; G155-N507 VanDerWaalsContact O-ND2 3.15Å
156	D	93.5	Very high	94.7	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-20.3	-163.7	-51.8	-92.1	0	0	0	113.9	L140 V153 G158 M159 Q624	L140-D156 HydrophobicContact CB-CB 4.3Å; V153-D156 WeakPolarHBondContact CA-OD2 3.45Å; V153-D156 HydrophobicContact CB-CB 4.4Å; V153-D156 PolarHBondContact O-N 3.16Å; D156-G158 PolarHBondContact O-N 3.41Å; D156-M159 WeakPolarHBondContact O-CB 3.44Å; D156-M159 PolarHBondContact O-N 3.29Å; D156-Q624 HydrophobicContact CB-CB 4.35Å; D156-Q624 HydrophobicContact CB-CG 4.32Å; D156-Q624 WeakPolarHBondContact OD1-CB 3.45Å; D156-Q624 PolarHBondContact OD1-N 2.83Å; D156-Q624 PolarHBondContact OD2-N 2.94Å
157	V	94.5	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	122.5	-177	179.8	0	0	0	0	111.5	D139 A141 V153 M159 A163 R511	D139-V157 VanDerWaalsContact OD2-CA 3.32Å; D139-V157 WeakPolarHBondContact OD2-CA 3.4Å; A141-V157 HydrophobicContact CB-CG2 4.41Å; V153-V157 HydrophobicContact CG2-CG2 3.98Å; V153-V157 PolarHBondContact O-N 3.21Å; V157-M159 VanDerWaalsContact C-N 3.25Å; V157-M159 PolarHBondContact O-N 3.03Å; V157-A163 HydrophobicContact CG1-CB 4.09Å; V157-R511 HydrophobicContact CB-CB 4.15Å; V157-R511 HydrophobicContact CB-CG 4.28Å; V157-R511 HydrophobicContact CG1-CB 4.1Å; V157-R511 HydrophobicContact CG1-CG 4.41Å; V157-R511 HydrophobicContact CG2-CG 4.23Å
158	G	91.2	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	8.6	179.2	0	0	0	0	0	115.8	S114 D139 D156 G161	S114-G158 VanDerWaalsContact CA-O 3.3Å; S114-G158 WeakPolarHBondContact CA-O 3.35Å; S114-G158 WeakPolarHBondContact CB-O 3.38Å; S114-G158 PolarHBondContact OG-O 3.14Å; D139-G158 PolarHBondContact OD2-N 3.13Å; D156-G158 PolarHBondContact O-N 3.41Å; G158-G161 CarbonylContact C-O 3.47Å; G158-G161 WeakPolarHBondContact CA-O 3.19Å
159	M	87.6	Confident	94.7	Very high	18 Å²	18	26.7 Å²	26.7	9%	0.089	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-56	-174	-66	-56.3	-70.7	0	0	113.2	G155 D156 V157 I505 N507 A676	G155-M159 VanDerWaalsContact O-CG 3.28Å; G155-M159 WeakPolarHBondContact O-CG 3.37Å; D156-M159 WeakPolarHBondContact O-CB 3.44Å; D156-M159 PolarHBondContact O-N 3.29Å; V157-M159 VanDerWaalsContact C-N 3.25Å; V157-M159 PolarHBondContact O-N 3.03Å; M159-I505 HydrophobicContact CE-CB 4.31Å; M159-I505 HydrophobicContact CE-CD1 4.43Å; M159-I505 WeakPolarHBondContact O-CD1 3.4Å; M159-I505 HydrophobicContact SD-CB 4.06Å; M159-I505 HydrophobicContact SD-CD1 4.48Å; M159-I505 HydrophobicContact SD-CG2 3.81Å; M159-N507 HydrophobicContact CG-CB 4.29Å; M159-N507 HydrophobicContact SD-CB 3.47Å; M159-N507 WeakPolarHBondContact SD-CB 3.32Å; M159-A676 HydrophobicContact CE-CB 3.45Å; M159-A676 VanDerWaalsContact CE-CB 3.45Å
160	A	85.6	Confident	94.7	Very high	49 Å²	49	23.3 Å²	23.3	41%	0.405	12%	0.122	S	C	.	.	S	Bend	trans	-87.1	-5.2	-175.5	0	0	0	0	0	114.2	L140	L140-A160 HydrophobicContact CG-CB 4.1Å
161	G	90.2	Very high	94.7	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	167.7	-161.4	-174.5	0	0	0	0	0	111.2	F113 A137 G158	F113-G161 CarbonylContact O-C 3.43Å; A137-G161 WeakPolarHBondContact O-CA 3.3Å; G158-G161 CarbonylContact C-O 3.47Å; G158-G161 WeakPolarHBondContact CA-O 3.19Å
162	V	93	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-73.8	138.9	178.9	-60.3	0	0	0	0	111.7	F113 V116 S119 V136 A137 F138 D139 I164 L173	F113-V162 VanDerWaalsContact O-CG1 3.24Å; F113-V162 WeakPolarHBondContact O-CG1 3.45Å; V116-V162 HydrophobicContact CG1-CB 3.88Å; V116-V162 HydrophobicContact CG1-CG1 4.14Å; V116-V162 HydrophobicContact CG1-CG2 4.34Å; S119-V162 WeakPolarHBondContact OG-CG1 3.47Å; V136-V162 HydrophobicContact CG1-CG2 3.85Å; A137-V162 WeakPolarHBondContact O-CG2 3.36Å; A137-V162 PolarHBondContact O-N 2.94Å; F138-V162 WeakPolarHBondContact CA-O 3.38Å; F138-V162 HydrophobicContact CD1-CG2 4.17Å; D139-V162 PolarHBondContact N-O 2.83Å; V162-I164 HydrophobicContact CG2-CD1 3.99Å; V162-I164 HydrophobicContact CG2-CG1 4Å; V162-L173 HydrophobicContact CG1-CD1 4.27Å; V162-L173 HydrophobicContact CG2-CD2 4.39Å
163	A	96.6	Very high	95	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.033	9%	0.089	C	C	.	.			trans	-77.6	128.8	165.7	0	0	0	0	0	109.9	D139 V157 Q514	D139-A163 WeakPolarHBondContact OD2-CA 3.3Å; D139-A163 VanDerWaalsContact OD2-CB 3.26Å; D139-A163 WeakPolarHBondContact OD2-CB 3.47Å; V157-A163 HydrophobicContact CG1-CB 4.09Å; A163-Q514 HydrophobicContact CB-CG 4.04Å
164	I	98.4	Very high	95	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.			trans	-128	109.1	173.5	-57.7	-64.7	0	0	0	107.8	V116 F138 T142 V162 D169 T170 V562	V116-I164 HydrophobicContact CG1-CD1 3.77Å; F138-I164 HydrophobicContact CD1-CG1 3.85Å; F138-I164 HydrophobicContact CE1-CG1 3.97Å; T142-I164 HydrophobicContact CG2-CB 3.94Å; T142-I164 PolarHBondContact OG1-N 3.02Å; V162-I164 HydrophobicContact CG2-CD1 3.99Å; V162-I164 HydrophobicContact CG2-CG1 4Å; I164-D169 HydrophobicContact CD1-CB 3.68Å; I164-D169 HydrophobicContact CG2-CB 4.4Å; I164-T170 HydrophobicContact CD1-CG2 3.94Å; I164-T170 HydrophobicContact CG1-CG2 4.45Å; I164-T170 HydrophobicContact CG2-CG2 3.95Å; I164-V562 HydrophobicContact CG2-CG2 4.35Å; I164-V562 VanDerWaalsContact O-CG2 3.29Å; I164-V562 WeakPolarHBondContact O-CG2 3.46Å
165	D	98.8	Very high	95.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-98.1	-30	170.7	-50.3	-49.9	0	0	0	111.1	S148 D169 Q514 L518 T561 V562	S148-D165 VanDerWaalsContact CB-OD1 3.29Å; S148-D165 WeakPolarHBondContact CB-OD1 3.42Å; S148-D165 PolarHBondContact N-OD1 2.95Å; S148-D165 PolarHBondContact OG-OD1 3.02Å; S148-D165 PolarHBondContact OG-OD2 3.27Å; D165-D169 PolarHBondContact N-OD2 3.01Å; D165-D169 VanDerWaalsContact N-OD2 3.08Å; D165-Q514 VanDerWaalsContact OD2-CG 3.23Å; D165-Q514 WeakPolarHBondContact OD2-CG 3.34Å; D165-Q514 PolarHBondContact OD2-NE2 3.31Å; D165-L518 HydrophobicContact CB-CD1 3.69Å; D165-T561 CarbonylContact O-C 3.59Å; D165-T561 WeakPolarHBondContact O-CA 3.45Å; D165-T561 WeakPolarHBondContact O-CB 3.26Å; D165-V562 PolarHBondContact O-N 2.82Å
166	T	98.8	Very high	95.6	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	12%	0.122	C	C	.	.	S	Bend	trans	-144.3	170.9	-171.3	65.2	0	0	0	0	112.5	E168 D169 L518 I521 T561	T166-E168 PolarHBondContact O-N 2.75Å; T166-E168 PolarHBondContact OG1-N 2.75Å; T166-D169 PolarHBondContact N-OD2 3.39Å; T166-D169 PolarHBondContact O-N 3.15Å; T166-D169 PolarHBondContact OG1-OD2 3.5Å; T166-D169 VanDerWaalsContact OG1-OD2 3.09Å; T166-L518 HydrophobicContact CG2-CD1 4.17Å; T166-I521 HydrophobicContact CG2-CG2 4.2Å; T166-T561 HydrophobicContact CG2-CG2 3.93Å
167	V	98.8	Very high	95.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-23.7	170.3	68.8	0	0	0	0	113.4	D169 T170 K171 N198 V201 R559	V167-D169 VanDerWaalsContact C-N 3.31Å; V167-D169 PolarHBondContact O-N 3.06Å; V167-T170 WeakPolarHBondContact CA-OG1 3.44Å; V167-T170 PolarHBondContact O-N 2.77Å; V167-T170 PolarHBondContact O-OG1 2.86Å; V167-K171 HydrophobicContact CG2-CD 4.14Å; V167-K171 HydrophobicContact CG2-CG 4.39Å; V167-K171 WeakPolarHBondContact O-CB 3.39Å; V167-K171 WeakPolarHBondContact O-CD 3.32Å; V167-K171 WeakPolarHBondContact O-CG 3.42Å; V167-K171 PolarHBondContact O-N 3.15Å; V167-N198 PolarHBondContact N-OD1 3.1Å; V167-V201 HydrophobicContact CG2-CB 3.88Å; V167-V201 HydrophobicContact CG2-CG1 3.77Å; V167-R559 HydrophobicContact CG1-CG 4.13Å
168	E	98.7	Very high	95.6	Very high	49 Å²	49	21.9 Å²	21.9	23%	0.229	14%	0.136	C	C	.	.	H	α-helix	trans	-69	-31.2	178.3	-58.7	-57.5	148.9	0	0	112.1	T166 K171 I172 I521 R559	T166-E168 PolarHBondContact O-N 2.75Å; T166-E168 PolarHBondContact OG1-N 2.75Å; E168-K171 PolarHBondContact O-N 2.66Å; E168-K171 WeakPolarHBondContact OE2-CD 3.33Å; E168-K171 WeakPolarHBondContact OE2-CE 3.42Å; E168-I172 WeakPolarHBondContact O-CG1 3.19Å; E168-I172 PolarHBondContact O-N 2.93Å; E168-I172 VanDerWaalsContact O-N 3.09Å; E168-I521 HydrophobicContact CB-CD1 4.4Å; E168-I521 HydrophobicContact CG-CD1 3.75Å; E168-I521 HydrophobicContact CG-CG1 4.12Å; E168-R559 IonicContact OE1-CZ 2.86Å; E168-R559 IonicContact OE1-NE 3.31Å; E168-R559 PolarHBondContact OE1-NE 2.83Å; E168-R559 IonicContact OE1-NH2 2.63Å; E168-R559 PolarHBondContact OE1-NH2 3.27Å
169	D	98.5	Very high	95.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-70	-41.7	175.3	-53.2	-64.4	0	0	0	111	V116 I164 D165 T166 V167 I172 L173 Q514 K517	V116-D169 HydrophobicContact CG1-CB 4.43Å; I164-D169 HydrophobicContact CD1-CB 3.68Å; I164-D169 HydrophobicContact CG2-CB 4.4Å; D165-D169 PolarHBondContact N-OD2 3.01Å; D165-D169 VanDerWaalsContact N-OD2 3.08Å; T166-D169 PolarHBondContact N-OD2 3.39Å; T166-D169 PolarHBondContact O-N 3.15Å; T166-D169 PolarHBondContact OG1-OD2 3.5Å; T166-D169 VanDerWaalsContact OG1-OD2 3.09Å; V167-D169 VanDerWaalsContact C-N 3.31Å; V167-D169 PolarHBondContact O-N 3.06Å; D169-I172 PolarHBondContact O-N 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.49Å; D169-L173 PolarHBondContact O-N 3.02Å; D169-Q514 VanDerWaalsContact CG-NE2 3.32Å; D169-Q514 PolarHBondContact OD1-NE2 3.39Å; D169-Q514 PolarHBondContact OD2-NE2 3.05Å; D169-K517 IonicContact OD1-NZ 3.28Å
170	T	98.2	Very high	96.2	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-69.2	-31.8	174.2	50.8	0	0	0	0	112.7	I164 V167 L173 F174 N198 T202	I164-T170 HydrophobicContact CD1-CG2 3.94Å; I164-T170 HydrophobicContact CG1-CG2 4.45Å; I164-T170 HydrophobicContact CG2-CG2 3.95Å; V167-T170 WeakPolarHBondContact CA-OG1 3.44Å; V167-T170 PolarHBondContact O-N 2.77Å; V167-T170 PolarHBondContact O-OG1 2.86Å; T170-L173 PolarHBondContact O-N 2.84Å; T170-F174 VanDerWaalsContact O-CD2 3.29Å; T170-F174 WeakPolarHBondContact O-CD2 3.24Å; T170-F174 PolarHBondContact O-N 2.97Å; T170-N198 HydrophobicContact CG2-CB 3.93Å; T170-N198 PolarHBondContact OG1-O 3.33Å; T170-T202 WeakPolarHBondContact CB-OG1 3.36Å; T170-T202 PolarHBondContact OG1-OG1 2.8Å
171	K	98.6	Very high	96.5	Very high	66 Å²	66	29.6 Å²	29.6	29%	0.287	16%	0.161	S	C	.	.	H	α-helix	trans	-62.6	-41.5	172.1	-75.7	160.5	59.6	72	0	112	V167 E168 D175 T202 E205	V167-K171 HydrophobicContact CG2-CD 4.14Å; V167-K171 HydrophobicContact CG2-CG 4.39Å; V167-K171 WeakPolarHBondContact O-CB 3.39Å; V167-K171 WeakPolarHBondContact O-CD 3.32Å; V167-K171 WeakPolarHBondContact O-CG 3.42Å; V167-K171 PolarHBondContact O-N 3.15Å; E168-K171 PolarHBondContact O-N 2.66Å; E168-K171 WeakPolarHBondContact OE2-CD 3.33Å; E168-K171 WeakPolarHBondContact OE2-CE 3.42Å; K171-D175 PolarHBondContact O-N 3.29Å; K171-T202 HydrophobicContact CG-CG2 4.14Å; K171-E205 WeakPolarHBondContact CD-OE2 3.01Å; K171-E205 WeakPolarHBondContact CE-OE2 3.26Å; K171-E205 IonicContact NZ-OE2 3.91Å; K171-E205 PolarHBondContact NZ-OE2 3.35Å
172	I	98	Very high	96.4	Very high	60 Å²	60	30.4 Å²	30.4	31%	0.308	17%	0.165	S	C	.	.	H	α-helix	trans	-67.9	-45.3	174	-64	163.4	0	0	0	110.4	V116 E117 N120 E168 D169 F174 D175	V116-I172 HydrophobicContact CB-CG2 4.33Å; V116-I172 HydrophobicContact CG2-CB 3.95Å; V116-I172 HydrophobicContact CG2-CG2 3.65Å; E117-I172 HydrophobicContact CG-CG2 3.96Å; N120-I172 PolarHBondContact ND2-O 2.87Å; E168-I172 WeakPolarHBondContact O-CG1 3.19Å; E168-I172 PolarHBondContact O-N 2.93Å; E168-I172 VanDerWaalsContact O-N 3.09Å; D169-I172 PolarHBondContact O-N 3.28Å; I172-F174 VanDerWaalsContact C-N 3.25Å; I172-F174 PolarHBondContact O-N 2.96Å; I172-D175 WeakPolarHBondContact O-CB 3.3Å; I172-D175 PolarHBondContact O-N 2.87Å; I172-D175 VanDerWaalsContact O-N 3.15Å
173	L	97	Very high	96.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-55.4	-39.8	179.6	-174.7	65	0	0	0	112.6	V116 N120 Y123 V136 V162 D169 T170	V116-L173 HydrophobicContact CB-CB 4.06Å; V116-L173 HydrophobicContact CB-CD1 4.14Å; V116-L173 HydrophobicContact CG1-CB 4.1Å; V116-L173 HydrophobicContact CG1-CD1 4.2Å; N120-L173 WeakPolarHBondContact CB-O 3.25Å; N120-L173 PolarHBondContact ND2-O 3.19Å; Y123-L173 HydrophobicContact CD2-CD1 4.49Å; Y123-L173 HydrophobicContact CE2-CD1 3.63Å; Y123-L173 HydrophobicContact CE2-CG 4.04Å; V136-L173 HydrophobicContact CG1-CD2 3.76Å; V136-L173 HydrophobicContact CG2-CD2 4.13Å; V162-L173 HydrophobicContact CG1-CD1 4.27Å; V162-L173 HydrophobicContact CG2-CD2 4.39Å; D169-L173 WeakPolarHBondContact O-CB 3.49Å; D169-L173 PolarHBondContact O-N 3.02Å; T170-L173 PolarHBondContact O-N 2.84Å
174	F	97.3	Very high	96.1	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.013	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	14.1	179.9	-60	-61.5	0	0	0	114.5	V136 T170 I172 G176 I177 L179 V184 F199 T202 Q206	V136-F174 HydrophobicContact CG2-CE1 4.38Å; V136-F174 HydrophobicContact CG2-CZ 3.89Å; T170-F174 VanDerWaalsContact O-CD2 3.29Å; T170-F174 WeakPolarHBondContact O-CD2 3.24Å; T170-F174 PolarHBondContact O-N 2.97Å; I172-F174 VanDerWaalsContact C-N 3.25Å; I172-F174 PolarHBondContact O-N 2.96Å; F174-G176 PolarHBondContact O-N 3.21Å; F174-I177 HydrophobicContact CB-CB 4.31Å; F174-I177 HydrophobicContact CD1-CB 4.39Å; F174-I177 HydrophobicContact CD1-CG2 4.31Å; F174-I177 WeakPolarHBondContact O-CB 3.35Å; F174-I177 PolarHBondContact O-N 3.13Å; F174-L179 HydrophobicContact CB-CD1 4.31Å; F174-L179 HydrophobicContact CB-CD2 4.43Å; F174-L179 HydrophobicContact CB-CG 4.49Å; F174-L179 HydrophobicContact CD1-CD2 3.92Å; F174-L179 HydrophobicContact CD2-CD1 4.49Å; F174-L179 HydrophobicContact CE1-CD2 4.33Å; F174-L179 HydrophobicContact CG-CD1 4.37Å; F174-L179 HydrophobicContact CG-CD2 4.06Å; F174-V184 HydrophobicContact CE1-CG1 4Å; F174-V184 HydrophobicContact CE1-CG2 4.08Å; F174-V184 HydrophobicContact CZ-CG1 3.74Å; F174-V184 HydrophobicContact CZ-CG2 4.44Å; F174-F199 AromaticContact CE2-CD2 3.9Å; F174-F199 HydrophobicContact CE2-CD2 3.9Å; F174-F199 HydrophobicContact CE2-CE2 4.33Å; F174-F199 HydrophobicContact CZ-CD2 4.31Å; F174-F199 HydrophobicContact CZ-CE2 4.42Å; F174-T202 HydrophobicContact CB-CG2 4.22Å; F174-T202 HydrophobicContact CD2-CG2 4.19Å; F174-Q206 PolarHBondContact O-NE2 3.49Å
175	D	97.9	Very high	95.8	Very high	93 Å²	93	32.5 Å²	32.5	50%	0.497	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	127.9	174.4	168.4	66.4	0	0	0	110.8	N120 K124 K171 I172 I177	N120-D175 PolarHBondContact ND2-N 2.98Å; N120-D175 PolarHBondContact ND2-O 3.43Å; K124-D175 WeakPolarHBondContact CE-O 3.42Å; K124-D175 PolarHBondContact NZ-O 3.32Å; K124-D175 IonicContact NZ-OD2 2.78Å; K124-D175 PolarHBondContact NZ-OD2 3.48Å; K171-D175 PolarHBondContact O-N 3.29Å; I172-D175 WeakPolarHBondContact O-CB 3.3Å; I172-D175 PolarHBondContact O-N 2.87Å; I172-D175 VanDerWaalsContact O-N 3.15Å; D175-I177 PolarHBondContact O-N 3.3Å; D175-I177 VanDerWaalsContact O-N 3.12Å
176	G	96.2	Very high	95.6	Very high	60 Å²	60	32.7 Å²	32.7	62%	0.619	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.5	-177.4	0	0	0	0	0	115.5	F174	F174-G176 PolarHBondContact O-N 3.21Å
177	I	95	Very high	95.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.184	C	C	.	.			trans	-98.7	116.1	174	-55	-59.9	0	0	0	108.8	K124 I127 L134 F174 D175 L179 M182 Q206	K124-I177 HydrophobicContact CG-CD1 3.72Å; I127-I177 HydrophobicContact CD1-CD1 4Å; L134-I177 HydrophobicContact CD1-CG2 3.67Å; F174-I177 HydrophobicContact CB-CB 4.31Å; F174-I177 HydrophobicContact CD1-CB 4.39Å; F174-I177 HydrophobicContact CD1-CG2 4.31Å; F174-I177 WeakPolarHBondContact O-CB 3.35Å; F174-I177 PolarHBondContact O-N 3.13Å; D175-I177 PolarHBondContact O-N 3.3Å; D175-I177 VanDerWaalsContact O-N 3.12Å; I177-L179 PolarHBondContact O-N 3.43Å; I177-M182 HydrophobicContact CG2-CB 4.29Å; I177-M182 HydrophobicContact CG2-CG 3.79Å; I177-Q206 PolarHBondContact O-NE2 2.97Å; I177-Q206 VanDerWaalsContact O-NE2 3.1Å; I177-Q206 PolarHBondContact O-OE1 3.49Å
178	P	94.1	Very high	95.3	Very high	45 Å²	45	33.4 Å²	33.4	29%	0.292	18%	0.184	S	C	.	.			trans	-75.9	94.7	-176.9	29	-33.6	0	0	0	111.8	E180 K181 M182	P178-E180 VanDerWaalsContact CA-OE2 3.3Å; P178-E180 WeakPolarHBondContact CA-OE2 3.09Å; P178-E180 WeakPolarHBondContact CB-OE2 3.46Å; P178-E180 PolarHBondContact O-N 3.44Å; P178-E180 VanDerWaalsContact O-N 3.17Å; P178-K181 HydrophobicContact CB-CB 4.37Å; P178-K181 HydrophobicContact CB-CD 4.29Å; P178-K181 HydrophobicContact CG-CB 4.31Å; P178-K181 HydrophobicContact CG-CD 4.32Å; P178-K181 PolarHBondContact O-N 2.82Å; P178-M182 HydrophobicContact CG-CG 4.29Å; P178-M182 WeakPolarHBondContact O-CG 3.25Å; P178-M182 PolarHBondContact O-N 2.93Å
179	L	96.2	Very high	95.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.9	-177	-68	178.9	0	0	0	114.2	F174 I177 K181 V184 F199 T202 Q206 V208 L213	F174-L179 HydrophobicContact CB-CD1 4.31Å; F174-L179 HydrophobicContact CB-CD2 4.43Å; F174-L179 HydrophobicContact CB-CG 4.49Å; F174-L179 HydrophobicContact CD1-CD2 3.92Å; F174-L179 HydrophobicContact CD2-CD1 4.49Å; F174-L179 HydrophobicContact CE1-CD2 4.33Å; F174-L179 HydrophobicContact CG-CD1 4.37Å; F174-L179 HydrophobicContact CG-CD2 4.06Å; I177-L179 PolarHBondContact O-N 3.43Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-V184 HydrophobicContact CD2-CG2 3.71Å; L179-F199 HydrophobicContact CD1-CE2 4.24Å; L179-F199 HydrophobicContact CD2-CE2 3.95Å; L179-T202 HydrophobicContact CD1-CG2 4.25Å; L179-Q206 VanDerWaalsContact CG-OE1 3.28Å; L179-V208 HydrophobicContact CB-CG2 4.43Å; L179-L213 HydrophobicContact CB-CD2 4.06Å
180	E	94.6	Very high	95.2	Very high	75 Å²	75	31.5 Å²	31.5	35%	0.35	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.4	171.5	87.4	-63.5	171.8	0	0	113.6	P178 V208	P178-E180 VanDerWaalsContact CA-OE2 3.3Å; P178-E180 WeakPolarHBondContact CA-OE2 3.09Å; P178-E180 WeakPolarHBondContact CB-OE2 3.46Å; P178-E180 PolarHBondContact O-N 3.44Å; P178-E180 VanDerWaalsContact O-N 3.17Å; E180-V208 HydrophobicContact CB-CG1 3.79Å; E180-V208 HydrophobicContact CB-CG2 4.08Å
181	K	90.7	Very high	95.2	Very high	153 Å²	153	31.4 Å²	31.4	67%	0.665	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-33.1	178.6	-66.2	176.6	-175.7	108.8	0	113.1	P178 L179	P178-K181 HydrophobicContact CB-CB 4.37Å; P178-K181 HydrophobicContact CB-CD 4.29Å; P178-K181 HydrophobicContact CG-CB 4.31Å; P178-K181 HydrophobicContact CG-CD 4.32Å; P178-K181 PolarHBondContact O-N 2.82Å; L179-K181 VanDerWaalsContact C-N 3.28Å
182	M	89.3	Confident	95.3	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.094	16%	0.164	C	C	.	.			trans	-85.4	135.2	-176.4	-62.2	-49.9	-60.8	0	0	111.9	I127 L134 I177 P178 T214	I127-M182 HydrophobicContact CD1-CE 3.77Å; I127-M182 HydrophobicContact CD1-CG 4.46Å; I127-M182 HydrophobicContact CD1-SD 4.03Å; I127-M182 HydrophobicContact CG1-CE 3.71Å; I127-M182 HydrophobicContact CG1-SD 4.33Å; L134-M182 HydrophobicContact CD1-CB 4.36Å; L134-M182 HydrophobicContact CD1-CE 4.26Å; L134-M182 HydrophobicContact CD1-CG 4.45Å; L134-M182 HydrophobicContact CD2-CE 4.16Å; L134-M182 HydrophobicContact CG-CE 3.84Å; I177-M182 HydrophobicContact CG2-CB 4.29Å; I177-M182 HydrophobicContact CG2-CG 3.79Å; P178-M182 HydrophobicContact CG-CG 4.29Å; P178-M182 WeakPolarHBondContact O-CG 3.25Å; P178-M182 PolarHBondContact O-N 2.93Å; M182-T214 PolarHBondContact O-OG1 3.1Å
183	S	90.6	Very high	95.3	Very high	26 Å²	26	25.7 Å²	25.7	18%	0.182	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	108.2	171.3	-177.4	0	0	0	0	110.7	R108 L134 T214	R108-S183 PolarHBondContact NH1-O 2.84Å; R108-S183 PolarHBondContact NH2-OG 3.17Å; L134-S183 PolarHBondContact N-O 2.87Å; S183-T214 WeakPolarHBondContact CA-O 3.35Å; S183-T214 WeakPolarHBondContact CA-OG1 3.45Å
184	V	92.4	Very high	95.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.1	-173.4	-177.1	0	0	0	0	111.4	V136 F174 L179 M186 F199 T214 G215 T216	V136-V184 HydrophobicContact CG2-CG1 4.08Å; F174-V184 HydrophobicContact CE1-CG1 4Å; F174-V184 HydrophobicContact CE1-CG2 4.08Å; F174-V184 HydrophobicContact CZ-CG1 3.74Å; F174-V184 HydrophobicContact CZ-CG2 4.44Å; L179-V184 HydrophobicContact CD2-CG2 3.71Å; V184-M186 HydrophobicContact CG1-CG 4.07Å; V184-F199 HydrophobicContact CB-CE2 3.95Å; V184-F199 HydrophobicContact CB-CZ 4.15Å; V184-F199 HydrophobicContact CG1-CE2 4.09Å; V184-F199 HydrophobicContact CG2-CE2 3.99Å; V184-F199 HydrophobicContact CG2-CZ 4.34Å; V184-T214 PolarHBondContact N-O 2.92Å; V184-T214 VanDerWaalsContact N-O 3.11Å; V184-G215 CarbonylContact O-C 3.54Å; V184-G215 WeakPolarHBondContact O-CA 3.07Å; V184-T216 PolarHBondContact O-N 3.5Å
185	S	92.3	Very high	95.5	Very high	21 Å²	21	25.7 Å²	25.7	15%	0.147	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.7	172.3	-165.5	0	0	0	0	110.6	L134 S135 V136 T216	L134-S185 WeakPolarHBondContact O-CB 3.36Å; L134-S185 PolarHBondContact O-N 2.71Å; S135-S185 CarbonylContact C-O 3.41Å; S135-S185 VanDerWaalsContact CA-O 3.25Å; S135-S185 WeakPolarHBondContact CA-O 3.29Å; V136-S185 PolarHBondContact N-O 3.07Å; S185-T216 CarbonylContact C-O 3.34Å; S185-T216 VanDerWaalsContact CA-O 3.28Å; S185-T216 WeakPolarHBondContact CA-O 3.3Å
186	M	94.8	Very high	95.5	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.02	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.3	-177.5	-66.5	-176.7	-75.1	0	0	110	V136 F138 V184 M188 V195 L196 F199 T216 I217 Q218 F256	V136-M186 HydrophobicContact CB-CG 4.37Å; V136-M186 HydrophobicContact CG2-CG 4.39Å; F138-M186 HydrophobicContact CE2-CB 3.93Å; F138-M186 HydrophobicContact CE2-CG 4.35Å; F138-M186 HydrophobicContact CZ-CB 4.12Å; F138-M186 HydrophobicContact CZ-CG 4.09Å; F138-M186 HydrophobicContact CZ-SD 4.27Å; V184-M186 HydrophobicContact CG1-CG 4.07Å; M186-M188 VanDerWaalsContact C-N 3.3Å; M186-M188 PolarHBondContact O-N 3.37Å; M186-V195 HydrophobicContact SD-CG1 4.39Å; M186-L196 HydrophobicContact CE-CD1 4.13Å; M186-F199 HydrophobicContact CE-CB 3.96Å; M186-F199 HydrophobicContact CE-CD1 3.73Å; M186-F199 HydrophobicContact CE-CD2 4.18Å; M186-F199 HydrophobicContact CE-CE1 4.28Å; M186-F199 HydrophobicContact CE-CG 3.67Å; M186-F199 HydrophobicContact SD-CB 4.04Å; M186-F199 HydrophobicContact SD-CD2 4.2Å; M186-F199 HydrophobicContact SD-CG 4.07Å; M186-T216 PolarHBondContact N-O 2.83Å; M186-I217 HydrophobicContact CB-CG1 4.24Å; M186-I217 HydrophobicContact CE-CD1 4.18Å; M186-I217 WeakPolarHBondContact O-CA 3.23Å; M186-Q218 PolarHBondContact O-N 3.4Å; M186-F256 HydrophobicContact CE-CE2 4.33Å; M186-F256 HydrophobicContact CE-CZ 3.79Å
187	T	92.9	Very high	95.6	Very high	17 Å²	17	18.4 Å²	18.4	10%	0.104	10%	0.097	C	C	.	.			trans	-79.4	84.3	170.9	51.8	0	0	0	0	108.6	Y110 F138 H143	Y110-T187 HydrophobicContact CE1-CG2 3.97Å; Y110-T187 HydrophobicContact CE2-CG2 3.59Å; Y110-T187 WeakPolarHBondContact OH-CB 3.26Å; Y110-T187 WeakPolarHBondContact OH-CG2 3.23Å; Y110-T187 PolarHBondContact OH-N 3.06Å; Y110-T187 PolarHBondContact OH-OG1 3.12Å; F138-T187 WeakPolarHBondContact CD2-O 3.12Å; H143-T187 PolarHBondContact CE1-O 3.47Å; H143-T187 PolarHBondContact NE2-O 3.28Å
188	M	97.5	Very high	95.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.			trans	-136.3	138.9	174.8	-174	53.3	56.2	0	0	110	F138 T142 H143 M186 A191 V192 V195 I217 N219	F138-M188 HydrophobicContact CB-CE 3.55Å; F138-M188 HydrophobicContact CD1-CE 4.15Å; F138-M188 HydrophobicContact CD2-CB 4.35Å; F138-M188 HydrophobicContact CD2-CE 3.44Å; F138-M188 VanDerWaalsContact CD2-CE 3.44Å; F138-M188 HydrophobicContact CE2-CB 4.1Å; F138-M188 HydrophobicContact CE2-CE 4.13Å; F138-M188 HydrophobicContact CG-CE 3.44Å; F138-M188 VanDerWaalsContact CG-CE 3.44Å; T142-M188 HydrophobicContact CG2-CE 4.03Å; H143-M188 HydrophobicContact CB-CE 4.39Å; M186-M188 VanDerWaalsContact C-N 3.3Å; M186-M188 PolarHBondContact O-N 3.37Å; M188-A191 HydrophobicContact SD-CB 3.99Å; M188-V192 HydrophobicContact CG-CB 4.46Å; M188-V195 HydrophobicContact CB-CG1 4.2Å; M188-V195 HydrophobicContact CE-CG2 4.17Å; M188-V195 HydrophobicContact CG-CB 3.91Å; M188-V195 HydrophobicContact CG-CG1 4.06Å; M188-V195 HydrophobicContact CG-CG2 3.96Å; M188-V195 HydrophobicContact SD-CG2 4.34Å; M188-I217 HydrophobicContact CB-CD1 4.45Å; M188-I217 HydrophobicContact CB-CG1 4.45Å; M188-N219 PolarHBondContact O-N 3.02Å
189	N	98.5	Very high	96	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	8%	0.083	C	C	.	.	S	Bend	trans	-138.5	-60.3	-174.7	-49.8	-76.3	0	0	0	111.2	V192 Q218 N219 D220 K223 E224	N189-V192 WeakPolarHBondContact O-CB 3.46Å; N189-V192 VanDerWaalsContact O-CG1 3.26Å; N189-V192 WeakPolarHBondContact O-CG1 3.4Å; N189-Q218 PolarHBondContact ND2-OE1 3.05Å; N189-Q218 WeakPolarHBondContact OD1-CB 3.43Å; N189-Q218 VanDerWaalsContact OD1-CG 3.31Å; N189-Q218 WeakPolarHBondContact OD1-CG 3.48Å; N189-Q218 PolarHBondContact OD1-OE1 2.79Å; N189-N219 PolarHBondContact OD1-N 3.18Å; N189-N219 VanDerWaalsContact OD1-N 3.11Å; N189-D220 PolarHBondContact OD1-N 3.24Å; N189-D220 PolarHBondContact OD1-O 2.96Å; N189-K223 PolarHBondContact ND2-NZ 3.3Å; N189-K223 VanDerWaalsContact ND2-NZ 3.18Å; N189-K223 PolarHBondContact OD1-NZ 3.36Å; N189-K223 VanDerWaalsContact OD1-NZ 3.1Å; N189-E224 HydrophobicContact CB-CG 3.67Å; N189-E224 WeakPolarHBondContact CB-OE1 3.37Å; N189-E224 VanDerWaalsContact CG-OE1 3.22Å; N189-E224 PolarHBondContact ND2-OE1 3.13Å
190	G	97.8	Very high	96.2	Very high	7 Å²	7	16.1 Å²	16.1	7%	0.072	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-68.7	177.4	0	0	0	0	0	112.8	V192 T230	G190-V192 PolarHBondContact O-N 3.39Å; G190-T230 VanDerWaalsContact CA-O 3.27Å; G190-T230 WeakPolarHBondContact CA-O 3.45Å
191	A	98.7	Very high	96.4	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.017	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	35.6	177.2	0	0	0	0	0	113.7	T142 H143 M188 I193 P194 V195 I232 V562	T142-A191 WeakPolarHBondContact O-CB 3.4Å; H143-A191 PolarHBondContact O-N 3.05Å; H143-A191 VanDerWaalsContact O-N 3.09Å; M188-A191 HydrophobicContact SD-CB 3.99Å; A191-I193 VanDerWaalsContact C-N 3.29Å; A191-I193 PolarHBondContact O-N 3.16Å; A191-P194 HydrophobicContact CB-CG 4.1Å; A191-P194 VanDerWaalsContact O-CD 3.28Å; A191-P194 WeakPolarHBondContact O-CD 3.44Å; A191-P194 WeakPolarHBondContact O-CG 3.45Å; A191-V195 HydrophobicContact CB-CG2 4.43Å; A191-V195 WeakPolarHBondContact O-CB 3.49Å; A191-V195 WeakPolarHBondContact O-CG2 3.29Å; A191-V195 PolarHBondContact O-N 3.11Å; A191-I232 HydrophobicContact CB-CD1 4.18Å; A191-V562 HydrophobicContact CB-CG1 4.27Å
192	V	98.7	Very high	96.7	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.012	4%	0.035	C	C	.	.	H	α-helix	trans	-58	-38.7	-176.1	62.9	0	0	0	0	113.1	M188 N189 G190 L196 I217 N219 I241 I245	M188-V192 HydrophobicContact CG-CB 4.46Å; N189-V192 WeakPolarHBondContact O-CB 3.46Å; N189-V192 VanDerWaalsContact O-CG1 3.26Å; N189-V192 WeakPolarHBondContact O-CG1 3.4Å; G190-V192 PolarHBondContact O-N 3.39Å; V192-L196 WeakPolarHBondContact O-CB 3.3Å; V192-L196 PolarHBondContact O-N 2.97Å; V192-I217 HydrophobicContact CG2-CD1 3.55Å; V192-I217 HydrophobicContact CG2-CG1 4.01Å; V192-N219 HydrophobicContact CG2-CB 4Å; V192-N219 WeakPolarHBondContact CG2-OD1 3.43Å; V192-I241 HydrophobicContact CG1-CG2 3.83Å; V192-I245 HydrophobicContact CB-CD1 4.35Å; V192-I245 HydrophobicContact CG1-CD1 3.66Å; V192-I245 HydrophobicContact CG2-CD1 3.76Å
193	I	98.9	Very high	97.2	Very high	4 Å²	4	4.5 Å²	4.5	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-61.4	-61.3	-178.6	-71.9	-64.4	0	0	0	112.6	A191 V195 L196 A197 I241 I245 I548 L549 A552 I565	A191-I193 VanDerWaalsContact C-N 3.29Å; A191-I193 PolarHBondContact O-N 3.16Å; I193-V195 VanDerWaalsContact C-N 3.35Å; I193-V195 PolarHBondContact O-N 3.48Å; I193-L196 PolarHBondContact O-N 3.42Å; I193-A197 VanDerWaalsContact O-CB 3.31Å; I193-A197 WeakPolarHBondContact O-CB 3.36Å; I193-A197 PolarHBondContact O-N 3.14Å; I193-I241 HydrophobicContact CD1-CG2 3.96Å; I193-I241 HydrophobicContact CG1-CG1 4.43Å; I193-I241 HydrophobicContact CG1-CG2 3.64Å; I193-I245 HydrophobicContact CD1-CD1 3.91Å; I193-I245 HydrophobicContact CD1-CG1 3.82Å; I193-I548 HydrophobicContact CD1-CB 4.47Å; I193-I548 HydrophobicContact CD1-CG2 3.89Å; I193-I548 HydrophobicContact CG1-CG2 3.97Å; I193-I548 HydrophobicContact CG2-CG2 3.99Å; I193-L549 HydrophobicContact CD1-CB 3.97Å; I193-L549 HydrophobicContact CD1-CD1 4.3Å; I193-A552 HydrophobicContact CG2-CB 3.27Å; I193-I565 HydrophobicContact CG2-CG2 4.15Å
194	P	98.8	Very high	97.6	Very high	3 Å²	3	5.7 Å²	5.7	2%	0.019	3%	0.033	C	C	.	.	H	α-helix	trans	-67.1	-33.5	-178.4	26.3	-35.9	0	0	0	113	A191 A197 N198 V562 I565	A191-P194 HydrophobicContact CB-CG 4.1Å; A191-P194 VanDerWaalsContact O-CD 3.28Å; A191-P194 WeakPolarHBondContact O-CD 3.44Å; A191-P194 WeakPolarHBondContact O-CG 3.45Å; P194-A197 PolarHBondContact O-N 2.91Å; P194-N198 WeakPolarHBondContact O-CB 3.45Å; P194-N198 PolarHBondContact O-N 3.42Å; P194-N198 PolarHBondContact O-ND2 2.73Å; P194-N198 PolarHBondContact O-OD1 3.48Å; P194-V562 HydrophobicContact CB-CB 4.38Å; P194-V562 HydrophobicContact CB-CG1 4.49Å; P194-V562 HydrophobicContact CB-CG2 4.06Å; P194-V562 HydrophobicContact CG-CB 4.44Å; P194-V562 HydrophobicContact CG-CG1 4.02Å; P194-V562 HydrophobicContact CG-CG2 4.41Å; P194-I565 HydrophobicContact CB-CB 4.01Å; P194-I565 HydrophobicContact CB-CD1 3.96Å; P194-I565 HydrophobicContact CB-CG2 3.83Å; P194-I565 HydrophobicContact CG-CG2 4.25Å
195	V	98.8	Very high	97.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.006	5%	0.05	C	C	.	.	H	α-helix	trans	-68.3	-43.8	178.6	172.1	0	0	0	0	111.6	F138 T142 M186 M188 A191 I193 N198 F199	F138-V195 HydrophobicContact CE1-CG1 3.69Å; F138-V195 HydrophobicContact CE2-CG1 4.23Å; F138-V195 HydrophobicContact CZ-CG1 3.5Å; T142-V195 HydrophobicContact CG2-CG2 3.86Å; M186-V195 HydrophobicContact SD-CG1 4.39Å; M188-V195 HydrophobicContact CB-CG1 4.2Å; M188-V195 HydrophobicContact CE-CG2 4.17Å; M188-V195 HydrophobicContact CG-CB 3.91Å; M188-V195 HydrophobicContact CG-CG1 4.06Å; M188-V195 HydrophobicContact CG-CG2 3.96Å; M188-V195 HydrophobicContact SD-CG2 4.34Å; A191-V195 HydrophobicContact CB-CG2 4.43Å; A191-V195 WeakPolarHBondContact O-CB 3.49Å; A191-V195 WeakPolarHBondContact O-CG2 3.29Å; A191-V195 PolarHBondContact O-N 3.11Å; I193-V195 VanDerWaalsContact C-N 3.35Å; I193-V195 PolarHBondContact O-N 3.48Å; V195-N198 PolarHBondContact O-N 3.1Å; V195-F199 PolarHBondContact O-N 3.32Å
196	L	98.8	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.8	-37.5	175.6	-175	55.6	0	0	0	111.6	M186 V192 I193 F199 I200 I217 I245 M253 F256 L549	M186-L196 HydrophobicContact CE-CD1 4.13Å; V192-L196 WeakPolarHBondContact O-CB 3.3Å; V192-L196 PolarHBondContact O-N 2.97Å; I193-L196 PolarHBondContact O-N 3.42Å; L196-F199 HydrophobicContact CD1-CD1 4.28Å; L196-F199 PolarHBondContact O-N 2.86Å; L196-I200 HydrophobicContact CD1-CD1 4.34Å; L196-I200 HydrophobicContact CD1-CG1 4.48Å; L196-I200 HydrophobicContact CG-CD1 4.01Å; L196-I200 WeakPolarHBondContact O-CD1 3.4Å; L196-I200 VanDerWaalsContact O-CG1 3.26Å; L196-I200 WeakPolarHBondContact O-CG1 3.47Å; L196-I200 PolarHBondContact O-N 2.86Å; L196-I217 HydrophobicContact CB-CD1 3.84Å; L196-I217 HydrophobicContact CD1-CD1 4.16Å; L196-I217 HydrophobicContact CD2-CD1 4.37Å; L196-I217 HydrophobicContact CG-CD1 4.34Å; L196-I245 HydrophobicContact CD2-CG2 3.98Å; L196-M253 HydrophobicContact CD1-CE 4.47Å; L196-F256 HydrophobicContact CD1-CE1 3.94Å; L196-F256 HydrophobicContact CD1-CZ 3.94Å; L196-L549 HydrophobicContact CB-CD1 4.13Å; L196-L549 HydrophobicContact CD2-CD1 4.12Å; L196-L549 HydrophobicContact CD2-CD2 3.58Å; L196-L549 HydrophobicContact CG-CD1 4.08Å; L196-L549 HydrophobicContact CG-CD2 4.19Å
197	A	98.9	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-48.6	172.8	0	0	0	0	0	112.1	I193 P194 F199 I200 V201 L549 A552 V553	I193-A197 VanDerWaalsContact O-CB 3.31Å; I193-A197 WeakPolarHBondContact O-CB 3.36Å; I193-A197 PolarHBondContact O-N 3.14Å; P194-A197 PolarHBondContact O-N 2.91Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.14Å; A197-I200 PolarHBondContact O-N 2.78Å; A197-I200 VanDerWaalsContact O-N 3.16Å; A197-V201 WeakPolarHBondContact O-CG2 3.37Å; A197-V201 PolarHBondContact O-N 2.81Å; A197-L549 HydrophobicContact CB-CD1 4.49Å; A197-A552 HydrophobicContact CB-CB 3.98Å; A197-A552 WeakPolarHBondContact CB-O 3.16Å; A197-V553 HydrophobicContact CB-CG2 4.06Å
198	N	98.9	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.3	-40.4	176.1	-72.1	-11.6	0	0	0	112.2	V167 T170 P194 V195 T202 S556	V167-N198 PolarHBondContact N-OD1 3.1Å; T170-N198 HydrophobicContact CG2-CB 3.93Å; T170-N198 PolarHBondContact OG1-O 3.33Å; P194-N198 WeakPolarHBondContact O-CB 3.45Å; P194-N198 PolarHBondContact O-N 3.42Å; P194-N198 PolarHBondContact O-ND2 2.73Å; P194-N198 PolarHBondContact O-OD1 3.48Å; V195-N198 PolarHBondContact O-N 3.1Å; N198-T202 VanDerWaalsContact O-CB 3.31Å; N198-T202 WeakPolarHBondContact O-CB 3.36Å; N198-T202 PolarHBondContact O-N 3.44Å; N198-T202 PolarHBondContact O-OG1 3.42Å; N198-S556 WeakPolarHBondContact CA-OG 3.32Å; N198-S556 PolarHBondContact N-OG 3.36Å; N198-S556 WeakPolarHBondContact OD1-CB 3.45Å; N198-S556 PolarHBondContact OD1-OG 2.96Å
199	F	98.7	Very high	98.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-45.9	173.2	176.4	-106.6	0	0	0	112.6	F174 L179 V184 M186 V195 L196 A197 T202 G203 L213 M253 F256	F174-F199 AromaticContact CE2-CD2 3.9Å; F174-F199 HydrophobicContact CE2-CD2 3.9Å; F174-F199 HydrophobicContact CE2-CE2 4.33Å; F174-F199 HydrophobicContact CZ-CD2 4.31Å; F174-F199 HydrophobicContact CZ-CE2 4.42Å; L179-F199 HydrophobicContact CD1-CE2 4.24Å; L179-F199 HydrophobicContact CD2-CE2 3.95Å; V184-F199 HydrophobicContact CB-CE2 3.95Å; V184-F199 HydrophobicContact CB-CZ 4.15Å; V184-F199 HydrophobicContact CG1-CE2 4.09Å; V184-F199 HydrophobicContact CG2-CE2 3.99Å; V184-F199 HydrophobicContact CG2-CZ 4.34Å; M186-F199 HydrophobicContact CE-CB 3.96Å; M186-F199 HydrophobicContact CE-CD1 3.73Å; M186-F199 HydrophobicContact CE-CD2 4.18Å; M186-F199 HydrophobicContact CE-CE1 4.28Å; M186-F199 HydrophobicContact CE-CG 3.67Å; M186-F199 HydrophobicContact SD-CB 4.04Å; M186-F199 HydrophobicContact SD-CD2 4.2Å; M186-F199 HydrophobicContact SD-CG 4.07Å; V195-F199 PolarHBondContact O-N 3.32Å; L196-F199 HydrophobicContact CD1-CD1 4.28Å; L196-F199 PolarHBondContact O-N 2.86Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.14Å; F199-T202 PolarHBondContact O-N 3.32Å; F199-G203 PolarHBondContact O-N 2.63Å; F199-L213 HydrophobicContact CE1-CB 4.28Å; F199-L213 HydrophobicContact CE1-CD1 4.14Å; F199-L213 HydrophobicContact CE1-CD2 4.42Å; F199-L213 HydrophobicContact CZ-CD2 4.29Å; F199-M253 HydrophobicContact CE1-CE 4.47Å; F199-F256 HydrophobicContact CD1-CE2 4.41Å; F199-F256 HydrophobicContact CE1-CD2 4.44Å; F199-F256 AromaticContact CE1-CE2 3.79Å; F199-F256 HydrophobicContact CE1-CE2 3.79Å; F199-F256 HydrophobicContact CE1-CZ 4.48Å; F199-F256 HydrophobicContact CZ-CE2 4.48Å
200	I	98.8	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-49.8	178.3	-71.9	163.1	0	0	0	111	L196 A197 T202 G203 E204 K210 Y248 M253 L549 V553	L196-I200 HydrophobicContact CD1-CD1 4.34Å; L196-I200 HydrophobicContact CD1-CG1 4.48Å; L196-I200 HydrophobicContact CG-CD1 4.01Å; L196-I200 WeakPolarHBondContact O-CD1 3.4Å; L196-I200 VanDerWaalsContact O-CG1 3.26Å; L196-I200 WeakPolarHBondContact O-CG1 3.47Å; L196-I200 PolarHBondContact O-N 2.86Å; A197-I200 PolarHBondContact O-N 2.78Å; A197-I200 VanDerWaalsContact O-N 3.16Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 3.47Å; I200-G203 PolarHBondContact O-N 3.41Å; I200-G203 VanDerWaalsContact O-N 3.17Å; I200-E204 PolarHBondContact O-N 3.29Å; I200-K210 HydrophobicContact CG2-CD 3.52Å; I200-K210 HydrophobicContact CG2-CG 4.09Å; I200-Y248 HydrophobicContact CD1-CE1 3.9Å; I200-M253 HydrophobicContact CD1-SD 3.7Å; I200-M253 HydrophobicContact CG1-CE 4.12Å; I200-M253 HydrophobicContact CG1-SD 3.78Å; I200-L549 HydrophobicContact CD1-CD1 4.44Å; I200-L549 HydrophobicContact CD1-CD2 4.35Å; I200-V553 HydrophobicContact CB-CG2 4.13Å; I200-V553 HydrophobicContact CD1-CG2 3.87Å; I200-V553 HydrophobicContact CG2-CG1 4.19Å; I200-V553 HydrophobicContact CG2-CG2 3.93Å
201	V	98.8	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-35.7	-179.5	178.6	0	0	0	0	111	V167 A197 G203 E204 E205 V553 R557	V167-V201 HydrophobicContact CG2-CB 3.88Å; V167-V201 HydrophobicContact CG2-CG1 3.77Å; A197-V201 WeakPolarHBondContact O-CG2 3.37Å; A197-V201 PolarHBondContact O-N 2.81Å; V201-G203 VanDerWaalsContact C-N 3.34Å; V201-G203 PolarHBondContact O-N 2.91Å; V201-E204 PolarHBondContact O-N 2.89Å; V201-E205 HydrophobicContact CG1-CG 4.29Å; V201-E205 WeakPolarHBondContact O-CB 3.35Å; V201-E205 WeakPolarHBondContact O-CG 3.44Å; V201-E205 PolarHBondContact O-N 3.48Å; V201-V553 HydrophobicContact CG2-CG1 3.96Å; V201-V553 WeakPolarHBondContact CG2-O 3.38Å; V201-R557 HydrophobicContact CG1-CB 4.24Å; V201-R557 HydrophobicContact CG1-CG 4.3Å; V201-R557 HydrophobicContact CG2-CB 4.23Å
202	T	98.8	Very high	98.4	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-42.1	173.4	-59	0	0	0	0	111.5	T170 K171 F174 L179 N198 F199 I200 E205 Q206	T170-T202 WeakPolarHBondContact CB-OG1 3.36Å; T170-T202 PolarHBondContact OG1-OG1 2.8Å; K171-T202 HydrophobicContact CG-CG2 4.14Å; F174-T202 HydrophobicContact CB-CG2 4.22Å; F174-T202 HydrophobicContact CD2-CG2 4.19Å; L179-T202 HydrophobicContact CD1-CG2 4.25Å; N198-T202 VanDerWaalsContact O-CB 3.31Å; N198-T202 WeakPolarHBondContact O-CB 3.36Å; N198-T202 PolarHBondContact O-N 3.44Å; N198-T202 PolarHBondContact O-OG1 3.42Å; F199-T202 PolarHBondContact O-N 3.32Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 3.47Å; T202-E205 PolarHBondContact O-N 2.91Å; T202-Q206 WeakPolarHBondContact O-CG 3.49Å; T202-Q206 PolarHBondContact O-N 2.73Å
203	G	98.5	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-46.8	173.9	0	0	0	0	0	112.8	F199 I200 V201 E205 Q206 G207 V208	F199-G203 PolarHBondContact O-N 2.63Å; I200-G203 PolarHBondContact O-N 3.41Å; I200-G203 VanDerWaalsContact O-N 3.17Å; V201-G203 VanDerWaalsContact C-N 3.34Å; V201-G203 PolarHBondContact O-N 2.91Å; G203-E205 VanDerWaalsContact C-N 3.32Å; G203-E205 PolarHBondContact O-N 3.44Å; G203-Q206 WeakPolarHBondContact O-CB 3.49Å; G203-Q206 PolarHBondContact O-N 3.15Å; G203-G207 PolarHBondContact O-N 2.96Å; G203-V208 WeakPolarHBondContact O-CA 3.45Å; G203-V208 WeakPolarHBondContact O-CB 3.43Å; G203-V208 PolarHBondContact O-N 3.36Å
204	E	98.6	Very high	98.2	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-39.2	176.7	-69.8	174.8	158	0	0	112	I200 V201 Q206 G207 K210 R557	I200-E204 PolarHBondContact O-N 3.29Å; V201-E204 PolarHBondContact O-N 2.89Å; E204-Q206 VanDerWaalsContact C-N 3.33Å; E204-Q206 PolarHBondContact O-N 3.2Å; E204-G207 WeakPolarHBondContact O-CA 3.21Å; E204-G207 PolarHBondContact O-N 2.99Å; E204-K210 HydrophobicContact CG-CG 4.13Å; E204-K210 VanDerWaalsContact OE1-CD 3.24Å; E204-K210 WeakPolarHBondContact OE1-CD 3.5Å; E204-K210 VanDerWaalsContact OE1-CE 3.26Å; E204-K210 WeakPolarHBondContact OE1-CE 3.48Å; E204-K210 IonicContact OE1-NZ 2.72Å; E204-K210 PolarHBondContact OE1-NZ 2.97Å; E204-R557 IonicContact OE1-NH2 3.91Å; E204-R557 IonicContact OE2-CZ 3.18Å; E204-R557 IonicContact OE2-NH1 2.76Å; E204-R557 PolarHBondContact OE2-NH1 2.63Å; E204-R557 IonicContact OE2-NH2 2.7Å; E204-R557 PolarHBondContact OE2-NH2 3.47Å
205	E	98.5	Very high	97.8	Very high	76 Å²	76	28.9 Å²	28.9	36%	0.355	16%	0.158	S	C	.	.	H	α-helix	trans	-75.1	-16.8	177	-71.4	-174	-165	0	0	114	K171 V201 T202 G203 R559	K171-E205 WeakPolarHBondContact CD-OE2 3.01Å; K171-E205 WeakPolarHBondContact CE-OE2 3.26Å; K171-E205 IonicContact NZ-OE2 3.91Å; K171-E205 PolarHBondContact NZ-OE2 3.35Å; V201-E205 HydrophobicContact CG1-CG 4.29Å; V201-E205 WeakPolarHBondContact O-CB 3.35Å; V201-E205 WeakPolarHBondContact O-CG 3.44Å; V201-E205 PolarHBondContact O-N 3.48Å; T202-E205 PolarHBondContact O-N 2.91Å; G203-E205 VanDerWaalsContact C-N 3.32Å; G203-E205 PolarHBondContact O-N 3.44Å; E205-R559 VanDerWaalsContact CD-NH2 3.33Å; E205-R559 IonicContact OE1-CZ 2.78Å; E205-R559 VanDerWaalsContact OE1-CZ 3.25Å; E205-R559 IonicContact OE1-NH1 3.67Å; E205-R559 PolarHBondContact OE1-NH1 3.35Å; E205-R559 IonicContact OE1-NH2 3.84Å; E205-R559 PolarHBondContact OE1-NH2 2.9Å; E205-R559 IonicContact OE2-NH2 2.72Å; E205-R559 PolarHBondContact OE2-NH2 3.44Å
206	Q	98.2	Very high	97.5	Very high	72 Å²	72	29.4 Å²	29.4	34%	0.336	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.7	162.4	-71.5	-173.4	-2.4	0	0	112.9	F174 I177 L179 T202 G203 E204 V208	F174-Q206 PolarHBondContact O-NE2 3.49Å; I177-Q206 PolarHBondContact O-NE2 2.97Å; I177-Q206 VanDerWaalsContact O-NE2 3.1Å; I177-Q206 PolarHBondContact O-OE1 3.49Å; L179-Q206 VanDerWaalsContact CG-OE1 3.28Å; T202-Q206 WeakPolarHBondContact O-CG 3.49Å; T202-Q206 PolarHBondContact O-N 2.73Å; G203-Q206 WeakPolarHBondContact O-CB 3.49Å; G203-Q206 PolarHBondContact O-N 3.15Å; E204-Q206 VanDerWaalsContact C-N 3.33Å; E204-Q206 PolarHBondContact O-N 3.2Å; Q206-V208 HydrophobicContact CB-CG2 3.99Å
207	G	98.1	Very high	97.4	Very high	63 Å²	63	29.4 Å²	29.4	65%	0.649	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	19.4	-173.2	0	0	0	0	0	113.9	G203 E204 P209	G203-G207 PolarHBondContact O-N 2.96Å; E204-G207 WeakPolarHBondContact O-CA 3.21Å; E204-G207 PolarHBondContact O-N 2.99Å; G207-P209 WeakPolarHBondContact O-CD 3.46Å
208	V	98.3	Very high	97.3	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.055	16%	0.163	C	C	.	.			trans	-90.5	118.3	178.8	-177	0	0	0	0	110.1	L179 E180 G203 Q206 K212 L213	L179-V208 HydrophobicContact CB-CG2 4.43Å; E180-V208 HydrophobicContact CB-CG1 3.79Å; E180-V208 HydrophobicContact CB-CG2 4.08Å; G203-V208 WeakPolarHBondContact O-CA 3.45Å; G203-V208 WeakPolarHBondContact O-CB 3.43Å; G203-V208 PolarHBondContact O-N 3.36Å; Q206-V208 HydrophobicContact CB-CG2 3.99Å; V208-K212 HydrophobicContact CG1-CB 4.07Å; V208-L213 HydrophobicContact CB-CD2 4.42Å; V208-L213 HydrophobicContact CG1-CD2 3.85Å; V208-L213 HydrophobicContact CG1-CG 4.42Å
209	P	98	Very high	97.3	Very high	50 Å²	50	29.8 Å²	29.8	33%	0.325	16%	0.163	S	C	.	.			trans	-60.6	139.1	171.7	-23.7	34.5	0	0	0	112	G207 E211 K212	G207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-E211 VanDerWaalsContact CB-CD 3.41Å; P209-E211 WeakPolarHBondContact CB-OE1 3.49Å; P209-E211 WeakPolarHBondContact CB-OE2 3.42Å; P209-E211 PolarHBondContact O-N 3.47Å; P209-E211 VanDerWaalsContact O-N 3.15Å; P209-K212 HydrophobicContact CB-CG 4.48Å; P209-K212 HydrophobicContact CG-CD 4.43Å; P209-K212 WeakPolarHBondContact O-CB 3.37Å; P209-K212 PolarHBondContact O-N 2.95Å
210	K	97.9	Very high	97.3	Very high	44 Å²	44	29.7 Å²	29.7	19%	0.191	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.9	-34.1	-173.4	-70.4	-172	-76.4	-138.4	0	113.6	I200 E204 K212 L213 Y248 H252 M253	I200-K210 HydrophobicContact CG2-CD 3.52Å; I200-K210 HydrophobicContact CG2-CG 4.09Å; E204-K210 HydrophobicContact CG-CG 4.13Å; E204-K210 VanDerWaalsContact OE1-CD 3.24Å; E204-K210 WeakPolarHBondContact OE1-CD 3.5Å; E204-K210 VanDerWaalsContact OE1-CE 3.26Å; E204-K210 WeakPolarHBondContact OE1-CE 3.48Å; E204-K210 IonicContact OE1-NZ 2.72Å; E204-K210 PolarHBondContact OE1-NZ 2.97Å; K210-K212 PolarHBondContact O-N 2.92Å; K210-L213 WeakPolarHBondContact O-CB 3.32Å; K210-L213 PolarHBondContact O-N 3.46Å; K210-L213 VanDerWaalsContact O-N 3.09Å; K210-Y248 PolarHBondContact NZ-OH 3.45Å; K210-H252 CarbonylContact C-O 3.33Å; K210-H252 WeakPolarHBondContact CB-O 3.24Å; K210-M253 HydrophobicContact CB-CG 4.2Å
211	E	97.2	Very high	97.3	Very high	97 Å²	97	30 Å²	30	45%	0.453	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-71.6	-9	177.8	75.6	-74	176.5	0	0	114.1	P209 H252 P254	P209-E211 VanDerWaalsContact CB-CD 3.41Å; P209-E211 WeakPolarHBondContact CB-OE1 3.49Å; P209-E211 WeakPolarHBondContact CB-OE2 3.42Å; P209-E211 PolarHBondContact O-N 3.47Å; P209-E211 VanDerWaalsContact O-N 3.15Å; E211-H252 PolarHBondContact N-O 2.89Å; E211-P254 HydrophobicContact CB-CG 4.44Å
212	K	97.2	Very high	97.2	Very high	100 Å²	100	30.1 Å²	30.1	44%	0.435	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-94.8	-15.1	169.6	-62.5	-169.4	-172.2	171.1	0	113.7	V208 P209 K210 T214	V208-K212 HydrophobicContact CG1-CB 4.07Å; P209-K212 HydrophobicContact CB-CG 4.48Å; P209-K212 HydrophobicContact CG-CD 4.43Å; P209-K212 WeakPolarHBondContact O-CB 3.37Å; P209-K212 PolarHBondContact O-N 2.95Å; K210-K212 PolarHBondContact O-N 2.92Å; K212-T214 WeakPolarHBondContact O-CG2 3.4Å; K212-T214 PolarHBondContact O-N 2.85Å
213	L	97.3	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.			trans	-62.9	128	175.1	-62.7	174.9	0	0	0	109.3	L179 F199 V208 K210 M253	L179-L213 HydrophobicContact CB-CD2 4.06Å; F199-L213 HydrophobicContact CE1-CB 4.28Å; F199-L213 HydrophobicContact CE1-CD1 4.14Å; F199-L213 HydrophobicContact CE1-CD2 4.42Å; F199-L213 HydrophobicContact CZ-CD2 4.29Å; V208-L213 HydrophobicContact CB-CD2 4.42Å; V208-L213 HydrophobicContact CG1-CD2 3.85Å; V208-L213 HydrophobicContact CG1-CG 4.42Å; K210-L213 WeakPolarHBondContact O-CB 3.32Å; K210-L213 PolarHBondContact O-N 3.46Å; K210-L213 VanDerWaalsContact O-N 3.09Å; L213-M253 HydrophobicContact CB-CE 4.21Å; L213-M253 HydrophobicContact CD1-CE 4.14Å
214	T	94.4	Very high	97.2	Very high	36 Å²	36	30 Å²	30	22%	0.221	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.9	176.9	76.7	0	0	0	0	109.9	M182 S183 V184 K212 K255	M182-T214 PolarHBondContact O-OG1 3.1Å; S183-T214 WeakPolarHBondContact CA-O 3.35Å; S183-T214 WeakPolarHBondContact CA-OG1 3.45Å; V184-T214 PolarHBondContact N-O 2.92Å; V184-T214 VanDerWaalsContact N-O 3.11Å; K212-T214 WeakPolarHBondContact O-CG2 3.4Å; K212-T214 PolarHBondContact O-N 2.85Å; T214-K255 HydrophobicContact CG2-CB 4.05Å; T214-K255 HydrophobicContact CG2-CD 4.14Å
215	G	91.5	Very high	97.1	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-170	-170.8	0	0	0	0	0	113.4	V184 N257	V184-G215 CarbonylContact O-C 3.54Å; V184-G215 WeakPolarHBondContact O-CA 3.07Å; G215-N257 PolarHBondContact O-N 2.97Å
216	T	93.3	Very high	97	Very high	13 Å²	13	24.8 Å²	24.8	8%	0.08	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.2	176.6	-57.1	0	0	0	0	108.4	V184 S185 M186 N257	V184-T216 PolarHBondContact O-N 3.5Å; S185-T216 CarbonylContact C-O 3.34Å; S185-T216 VanDerWaalsContact CA-O 3.28Å; S185-T216 WeakPolarHBondContact CA-O 3.3Å; M186-T216 PolarHBondContact N-O 2.83Å; T216-N257 VanDerWaalsContact CA-O 3.31Å; T216-N257 WeakPolarHBondContact CA-O 3.33Å; T216-N257 HydrophobicContact CG2-CB 3.94Å; T216-N257 WeakPolarHBondContact OG1-CB 3.33Å; T216-N257 PolarHBondContact OG1-ND2 3.09Å
217	I	96.4	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.9	166.6	-165.5	156.4	0	0	0	108.1	M186 M188 V192 L196 N219 F256 N257 I259 S260	M186-I217 HydrophobicContact CB-CG1 4.24Å; M186-I217 HydrophobicContact CE-CD1 4.18Å; M186-I217 WeakPolarHBondContact O-CA 3.23Å; M188-I217 HydrophobicContact CB-CD1 4.45Å; M188-I217 HydrophobicContact CB-CG1 4.45Å; V192-I217 HydrophobicContact CG2-CD1 3.55Å; V192-I217 HydrophobicContact CG2-CG1 4.01Å; L196-I217 HydrophobicContact CB-CD1 3.84Å; L196-I217 HydrophobicContact CD1-CD1 4.16Å; L196-I217 HydrophobicContact CD2-CD1 4.37Å; L196-I217 HydrophobicContact CG-CD1 4.34Å; I217-N219 HydrophobicContact CG2-CB 3.9Å; I217-F256 HydrophobicContact CB-CE1 3.91Å; I217-F256 HydrophobicContact CB-CZ 4.05Å; I217-F256 HydrophobicContact CG2-CE1 3.67Å; I217-F256 HydrophobicContact CG2-CZ 4.33Å; I217-N257 PolarHBondContact N-O 3.06Å; I217-N257 VanDerWaalsContact N-O 3.1Å; I217-I259 CarbonylContact O-C 3.42Å; I217-I259 WeakPolarHBondContact O-CA 3.36Å; I217-S260 PolarHBondContact O-N 2.89Å
218	Q	96.9	Very high	96.9	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.028	10%	0.104	C	C	.	.			trans	-65.6	-51.4	-174.3	-169.1	175.5	86.2	0	0	111.2	M186 N189 D220 I259 S260 S262 H265	M186-Q218 PolarHBondContact O-N 3.4Å; N189-Q218 PolarHBondContact ND2-OE1 3.05Å; N189-Q218 WeakPolarHBondContact OD1-CB 3.43Å; N189-Q218 VanDerWaalsContact OD1-CG 3.31Å; N189-Q218 WeakPolarHBondContact OD1-CG 3.48Å; N189-Q218 PolarHBondContact OD1-OE1 2.79Å; Q218-D220 HydrophobicContact CG-CB 4.41Å; Q218-D220 PolarHBondContact O-N 3.4Å; Q218-I259 WeakPolarHBondContact O-CA 3.39Å; Q218-I259 WeakPolarHBondContact O-CG1 3.23Å; Q218-S260 PolarHBondContact O-N 2.92Å; Q218-S262 WeakPolarHBondContact CG-OG 3.19Å; Q218-H265 PolarHBondContact NE2-CE1 3.39Å; Q218-H265 PolarHBondContact NE2-NE2 3.41Å
219	N	98.3	Very high	96.9	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	10%	0.102	C	C	.	.			trans	47.1	34.4	167.7	-168.6	37.4	0	0	0	114.8	M188 N189 V192 I217 I242 I245 S258 I259	M188-N219 PolarHBondContact O-N 3.02Å; N189-N219 PolarHBondContact OD1-N 3.18Å; N189-N219 VanDerWaalsContact OD1-N 3.11Å; V192-N219 HydrophobicContact CG2-CB 4Å; V192-N219 WeakPolarHBondContact CG2-OD1 3.43Å; I217-N219 HydrophobicContact CG2-CB 3.9Å; N219-I242 WeakPolarHBondContact O-CD1 3.36Å; N219-I242 WeakPolarHBondContact OD1-CG1 3.47Å; N219-I245 WeakPolarHBondContact OD1-CD1 3.21Å; N219-S258 WeakPolarHBondContact CB-O 3.38Å; N219-S258 PolarHBondContact ND2-O 2.95Å; N219-I259 WeakPolarHBondContact O-CD1 3.34Å
220	D	98.4	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.			trans	-112.8	98.3	-178.3	178.6	-20.7	0	0	0	107.1	N189 Q218 L222 K223 E224 I259 I261 S262 Y287	N189-D220 PolarHBondContact OD1-N 3.24Å; N189-D220 PolarHBondContact OD1-O 2.96Å; Q218-D220 HydrophobicContact CG-CB 4.41Å; Q218-D220 PolarHBondContact O-N 3.4Å; D220-L222 PolarHBondContact OD1-N 3.21Å; D220-K223 HydrophobicContact CB-CG 4.13Å; D220-K223 PolarHBondContact O-NZ 2.91Å; D220-K223 WeakPolarHBondContact OD1-CG 3.27Å; D220-K223 PolarHBondContact OD1-N 2.9Å; D220-E224 WeakPolarHBondContact O-CG 3.29Å; D220-I259 HydrophobicContact CB-CG1 4.46Å; D220-I261 WeakPolarHBondContact OD2-CA 3.44Å; D220-S262 PolarHBondContact OD2-N 2.71Å; D220-Y287 PolarHBondContact OD1-OH 3.37Å; D220-Y287 VanDerWaalsContact OD1-OH 3.08Å
221	I	98.2	Very high	97	Very high	7 Å²	7	16.7 Å²	16.7	4%	0.036	8%	0.079	C	C	.	.			trans	-87.2	-22.2	-177.8	-156	80.3	0	0	0	113.3	K223 E224 F225 M239 I242 Y287	I221-K223 PolarHBondContact O-N 3.04Å; I221-E224 HydrophobicContact CD1-CB 4.26Å; I221-E224 HydrophobicContact CD1-CG 4.12Å; I221-E224 HydrophobicContact CG1-CB 4.46Å; I221-E224 WeakPolarHBondContact O-CA 3.39Å; I221-E224 VanDerWaalsContact O-CB 3.29Å; I221-E224 WeakPolarHBondContact O-CB 3.27Å; I221-E224 PolarHBondContact O-N 2.82Å; I221-F225 HydrophobicContact CB-CE2 4.3Å; I221-F225 HydrophobicContact CG1-CD2 4.27Å; I221-F225 HydrophobicContact CG1-CE2 3.54Å; I221-F225 HydrophobicContact CG1-CZ 3.91Å; I221-F225 HydrophobicContact CG2-CE2 4.04Å; I221-F225 WeakPolarHBondContact O-CD2 3.43Å; I221-F225 PolarHBondContact O-N 3.36Å; I221-M239 HydrophobicContact CG2-SD 3.81Å; I221-I242 HydrophobicContact CB-CD1 4.07Å; I221-I242 HydrophobicContact CG2-CD1 3.59Å; I221-Y287 PolarHBondContact N-OH 2.94Å
222	L	98.1	Very high	97	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-67.2	-43.5	-175.4	-70.6	172	0	0	0	110.1	D220 E224 F225 M226 M239 D283 E286 Y287 A456	D220-L222 PolarHBondContact OD1-N 3.21Å; L222-E224 VanDerWaalsContact C-N 3.25Å; L222-E224 PolarHBondContact O-N 2.84Å; L222-F225 PolarHBondContact O-N 3Å; L222-M226 HydrophobicContact CB-CE 4.32Å; L222-M226 PolarHBondContact O-N 3.47Å; L222-M226 VanDerWaalsContact O-N 3.16Å; L222-M239 HydrophobicContact CD1-CE 4.4Å; L222-M239 HydrophobicContact CD1-SD 4.44Å; L222-M239 HydrophobicContact CD2-SD 4.13Å; L222-M239 HydrophobicContact CG-SD 4.11Å; L222-D283 WeakPolarHBondContact CB-OD1 3.4Å; L222-D283 HydrophobicContact CD1-CB 4.12Å; L222-D283 VanDerWaalsContact CD1-OD1 3.3Å; L222-D283 WeakPolarHBondContact CD1-OD1 3.44Å; L222-E286 HydrophobicContact CD1-CB 3.83Å; L222-E286 HydrophobicContact CD1-CG 4.03Å; L222-Y287 WeakPolarHBondContact CB-OH 3.25Å; L222-Y287 HydrophobicContact CD1-CE1 4.14Å; L222-Y287 HydrophobicContact CD1-CE2 4.08Å; L222-Y287 HydrophobicContact CG-CE1 4.35Å; L222-Y287 WeakPolarHBondContact CG-OH 3.46Å; L222-Y287 PolarHBondContact N-OH 3.41Å; L222-A456 HydrophobicContact CD2-CB 4.21Å
223	K	98.3	Very high	97.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-69.1	-16.3	170.8	71.1	94.1	172.9	76.3	0	114.7	N189 D220 I221 M226 V227 R228 H265 M266	N189-K223 PolarHBondContact ND2-NZ 3.3Å; N189-K223 VanDerWaalsContact ND2-NZ 3.18Å; N189-K223 PolarHBondContact OD1-NZ 3.36Å; N189-K223 VanDerWaalsContact OD1-NZ 3.1Å; D220-K223 HydrophobicContact CB-CG 4.13Å; D220-K223 PolarHBondContact O-NZ 2.91Å; D220-K223 WeakPolarHBondContact OD1-CG 3.27Å; D220-K223 PolarHBondContact OD1-N 2.9Å; I221-K223 PolarHBondContact O-N 3.04Å; K223-M226 HydrophobicContact CB-CE 4.41Å; K223-V227 HydrophobicContact CB-CG2 4.43Å; K223-V227 WeakPolarHBondContact O-CG2 3.37Å; K223-V227 PolarHBondContact O-N 2.7Å; K223-R228 HydrophobicContact CD-CB 4.22Å; K223-R228 PolarHBondContact O-N 2.72Å; K223-R228 VanDerWaalsContact O-N 3.09Å; K223-H265 HydrophobicContact CD-CB 4.19Å; K223-H265 WeakPolarHBondContact CD-ND1 3.46Å; K223-H265 WeakPolarHBondContact CE-CE1 3.3Å; K223-H265 WeakPolarHBondContact CE-ND1 3.3Å; K223-M266 HydrophobicContact CB-CE 3.81Å
224	E	98.1	Very high	96.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-69.3	-44.7	169.5	-62.8	-63.6	154.6	0	0	111.1	N189 D220 I221 L222 M226 R228 N229 T230 Y231	N189-E224 HydrophobicContact CB-CG 3.67Å; N189-E224 WeakPolarHBondContact CB-OE1 3.37Å; N189-E224 VanDerWaalsContact CG-OE1 3.22Å; N189-E224 PolarHBondContact ND2-OE1 3.13Å; D220-E224 WeakPolarHBondContact O-CG 3.29Å; I221-E224 HydrophobicContact CD1-CB 4.26Å; I221-E224 HydrophobicContact CD1-CG 4.12Å; I221-E224 HydrophobicContact CG1-CB 4.46Å; I221-E224 WeakPolarHBondContact O-CA 3.39Å; I221-E224 VanDerWaalsContact O-CB 3.29Å; I221-E224 WeakPolarHBondContact O-CB 3.27Å; I221-E224 PolarHBondContact O-N 2.82Å; L222-E224 VanDerWaalsContact C-N 3.25Å; L222-E224 PolarHBondContact O-N 2.84Å; E224-M226 VanDerWaalsContact C-N 3.31Å; E224-M226 PolarHBondContact O-N 2.89Å; E224-R228 VanDerWaalsContact OE1-CD 3.26Å; E224-R228 WeakPolarHBondContact OE1-CD 3.41Å; E224-R228 IonicContact OE1-CZ 3.45Å; E224-R228 IonicContact OE1-NH1 3.24Å; E224-R228 PolarHBondContact OE1-NH1 3.16Å; E224-R228 VanDerWaalsContact OE1-NH1 3.14Å; E224-R228 VanDerWaalsContact OE2-CB 3.29Å; E224-R228 WeakPolarHBondContact OE2-CB 3.45Å; E224-R228 WeakPolarHBondContact OE2-CG 3.48Å; E224-R228 IonicContact OE2-NH1 3.76Å; E224-N229 WeakPolarHBondContact O-CA 3.48Å; E224-N229 PolarHBondContact O-N 2.88Å; E224-T230 PolarHBondContact OE1-OG1 2.95Å; E224-T230 WeakPolarHBondContact OE2-CA 3.35Å; E224-T230 WeakPolarHBondContact OE2-CB 2.99Å; E224-T230 PolarHBondContact OE2-N 3.29Å; E224-T230 PolarHBondContact OE2-OG1 3.06Å; E224-Y231 HydrophobicContact CB-CD1 4.42Å
225	F	96.4	Very high	96.8	Very high	17 Å²	17	9.3 Å²	9.3	8%	0.075	5%	0.049	C	C	.	.	I	π-helix	trans	-68.6	-29	176	-60.6	-64.8	0	0	0	112.8	I221 L222 Y231 F233 P235 V459 H576	I221-F225 HydrophobicContact CB-CE2 4.3Å; I221-F225 HydrophobicContact CG1-CD2 4.27Å; I221-F225 HydrophobicContact CG1-CE2 3.54Å; I221-F225 HydrophobicContact CG1-CZ 3.91Å; I221-F225 HydrophobicContact CG2-CE2 4.04Å; I221-F225 WeakPolarHBondContact O-CD2 3.43Å; I221-F225 PolarHBondContact O-N 3.36Å; L222-F225 PolarHBondContact O-N 3Å; F225-Y231 AromaticContact CD1-CD1 3.61Å; F225-Y231 HydrophobicContact CD1-CD1 3.61Å; F225-Y231 HydrophobicContact CD1-CD2 4.44Å; F225-Y231 HydrophobicContact CD1-CE1 4.27Å; F225-Y231 AromaticContact CD1-CG 3.72Å; F225-Y231 HydrophobicContact CD1-CG 3.72Å; F225-Y231 HydrophobicContact CE1-CD1 4.06Å; F225-Y231 HydrophobicContact CE1-CD2 4.2Å; F225-Y231 AromaticContact CE1-CG 3.66Å; F225-Y231 HydrophobicContact CE1-CG 3.66Å; F225-Y231 HydrophobicContact CG-CD1 4.38Å; F225-F233 WeakPolarHBondContact CZ-O 3.48Å; F225-P235 HydrophobicContact CD1-CG 4.43Å; F225-P235 HydrophobicContact CD2-CG 4.24Å; F225-P235 HydrophobicContact CE1-CG 4.14Å; F225-P235 HydrophobicContact CE2-CB 4Å; F225-P235 HydrophobicContact CE2-CG 3.93Å; F225-P235 HydrophobicContact CG-CG 4.49Å; F225-P235 HydrophobicContact CZ-CB 4.26Å; F225-P235 HydrophobicContact CZ-CG 3.89Å; F225-V459 HydrophobicContact CB-CG1 3.55Å; F225-V459 HydrophobicContact CG-CG1 4.43Å; F225-H576 AromaticContact CD1-CD2 3.59Å; F225-H576 AromaticContact CD1-NE2 3.83Å; F225-H576 HydrophobicContact CE1-CB 4.15Å; F225-H576 AromaticContact CE1-CD2 3.6Å; F225-H576 AromaticContact CE1-CG 3.78Å
226	M	97.3	Very high	96.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.086	C	C	.	.	I	π-helix	trans	-75.1	-52	175.9	-66.9	-171.7	-103.5	0	0	113.1	L222 K223 E224 M266 D283 M455 V459 P464 K465	L222-M226 HydrophobicContact CB-CE 4.32Å; L222-M226 PolarHBondContact O-N 3.47Å; L222-M226 VanDerWaalsContact O-N 3.16Å; K223-M226 HydrophobicContact CB-CE 4.41Å; E224-M226 VanDerWaalsContact C-N 3.31Å; E224-M226 PolarHBondContact O-N 2.89Å; M226-M266 HydrophobicContact CE-CE 3.61Å; M226-M266 HydrophobicContact SD-CE 4.37Å; M226-D283 WeakPolarHBondContact CE-OD1 3.28Å; M226-D283 WeakPolarHBondContact CE-OD2 3.44Å; M226-M455 HydrophobicContact CE-CE 3.44Å; M226-M455 VanDerWaalsContact CE-CE 3.44Å; M226-M455 HydrophobicContact SD-CE 3.45Å; M226-M455 WeakPolarHBondContact SD-CE 3.4Å; M226-V459 HydrophobicContact CE-CG2 3.88Å; M226-V459 HydrophobicContact CG-CG1 4.21Å; M226-V459 HydrophobicContact CG-CG2 3.67Å; M226-V459 HydrophobicContact SD-CG2 3.92Å; M226-P464 HydrophobicContact CG-CB 4.12Å; M226-P464 HydrophobicContact SD-CB 3.49Å; M226-P464 WeakPolarHBondContact SD-CB 3.37Å; M226-P464 HydrophobicContact SD-CG 4.23Å; M226-K465 WeakPolarHBondContact O-CD 3.42Å; M226-K465 VanDerWaalsContact O-CG 3.29Å; M226-K465 WeakPolarHBondContact O-CG 3.48Å; M226-K465 PolarHBondContact O-NZ 2.96Å; M226-K465 VanDerWaalsContact O-NZ 3.13Å
227	V	97.5	Very high	97	Very high	11 Å²	11	17.7 Å²	17.7	7%	0.067	9%	0.089	C	C	.	.	I	π-helix	trans	-143.2	-31.6	-160.6	-69.1	0	0	0	0	116.4	K223 H265 M266 A269 I468	K223-V227 HydrophobicContact CB-CG2 4.43Å; K223-V227 WeakPolarHBondContact O-CG2 3.37Å; K223-V227 PolarHBondContact O-N 2.7Å; V227-H265 HydrophobicContact CG2-CB 4.01Å; V227-M266 HydrophobicContact CG2-CG 4.12Å; V227-A269 HydrophobicContact CB-CB 3.67Å; V227-A269 HydrophobicContact CG1-CB 3.48Å; V227-A269 VanDerWaalsContact CG1-CB 3.48Å; V227-I468 HydrophobicContact CG1-CD1 3.56Å; V227-I468 HydrophobicContact CG1-CG2 3.97Å
228	R	97	Very high	97	Very high	49 Å²	49	18 Å²	18	19%	0.185	9%	0.091	C	C	.	.	I	π-helix	trans	-95.5	-17.3	-170	-173	169.3	-175.5	-72.2	-6.8	114.4	H143 K223 E224 T230 H265	H143-R228 PolarHBondContact CE1-NH1 3.37Å; H143-R228 PolarHBondContact CE1-NH2 2.93Å; H143-R228 PolarHBondContact NE2-NH2 3.38Å; K223-R228 HydrophobicContact CD-CB 4.22Å; K223-R228 PolarHBondContact O-N 2.72Å; K223-R228 VanDerWaalsContact O-N 3.09Å; E224-R228 VanDerWaalsContact OE1-CD 3.26Å; E224-R228 WeakPolarHBondContact OE1-CD 3.41Å; E224-R228 IonicContact OE1-CZ 3.45Å; E224-R228 IonicContact OE1-NH1 3.24Å; E224-R228 PolarHBondContact OE1-NH1 3.16Å; E224-R228 VanDerWaalsContact OE1-NH1 3.14Å; E224-R228 VanDerWaalsContact OE2-CB 3.29Å; E224-R228 WeakPolarHBondContact OE2-CB 3.45Å; E224-R228 WeakPolarHBondContact OE2-CG 3.48Å; E224-R228 IonicContact OE2-NH1 3.76Å; R228-T230 VanDerWaalsContact C-N 3.26Å; R228-T230 PolarHBondContact NH1-OG1 2.89Å; R228-T230 PolarHBondContact O-N 3.31Å; R228-T230 VanDerWaalsContact O-N 3.13Å; R228-H265 HydrophobicContact CB-CB 4.31Å; R228-H265 WeakPolarHBondContact CD-CD2 3.46Å
229	N	97.8	Very high	96.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.011	9%	0.094	C	C	.	.			trans	56.3	30.8	166.2	-62.6	-34	0	0	0	115.2	E224 Y231 G626 D628 L650 F651	E224-N229 WeakPolarHBondContact O-CA 3.48Å; E224-N229 PolarHBondContact O-N 2.88Å; N229-Y231 HydrophobicContact CB-CE1 4.44Å; N229-G626 PolarHBondContact ND2-O 3.4Å; N229-D628 PolarHBondContact ND2-OD2 3.42Å; N229-L650 HydrophobicContact CB-CD1 3.84Å; N229-L650 VanDerWaalsContact CG-CD1 3.48Å; N229-F651 HydrophobicContact CB-CZ 4.5Å; N229-F651 WeakPolarHBondContact O-CE1 3.33Å; N229-F651 WeakPolarHBondContact O-CZ 3.09Å
230	T	98.3	Very high	96.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.11	C	C	.	.			trans	-108.3	25.2	169.4	69	0	0	0	0	113.1	L140 H143 G190 E224 R228	L140-T230 HydrophobicContact CD2-CG2 4.35Å; H143-T230 HydrophobicContact CB-CG2 4.12Å; G190-T230 VanDerWaalsContact CA-O 3.27Å; G190-T230 WeakPolarHBondContact CA-O 3.45Å; E224-T230 PolarHBondContact OE1-OG1 2.95Å; E224-T230 WeakPolarHBondContact OE2-CA 3.35Å; E224-T230 WeakPolarHBondContact OE2-CB 2.99Å; E224-T230 PolarHBondContact OE2-N 3.29Å; E224-T230 PolarHBondContact OE2-OG1 3.06Å; R228-T230 VanDerWaalsContact C-N 3.26Å; R228-T230 PolarHBondContact NH1-OG1 2.89Å; R228-T230 PolarHBondContact O-N 3.31Å; R228-T230 VanDerWaalsContact O-N 3.13Å
231	Y	98.1	Very high	96.7	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.02	11%	0.112	C	C	.	.			trans	-67.1	157.7	170.1	55.5	-105.2	0	0	0	112.1	R144 E224 F225 N229 H576 F651	R144-Y231 PolarHBondContact NE-O 3.43Å; R144-Y231 PolarHBondContact NH2-O 3.43Å; E224-Y231 HydrophobicContact CB-CD1 4.42Å; F225-Y231 AromaticContact CD1-CD1 3.61Å; F225-Y231 HydrophobicContact CD1-CD1 3.61Å; F225-Y231 HydrophobicContact CD1-CD2 4.44Å; F225-Y231 HydrophobicContact CD1-CE1 4.27Å; F225-Y231 AromaticContact CD1-CG 3.72Å; F225-Y231 HydrophobicContact CD1-CG 3.72Å; F225-Y231 HydrophobicContact CE1-CD1 4.06Å; F225-Y231 HydrophobicContact CE1-CD2 4.2Å; F225-Y231 AromaticContact CE1-CG 3.66Å; F225-Y231 HydrophobicContact CE1-CG 3.66Å; F225-Y231 HydrophobicContact CG-CD1 4.38Å; N229-Y231 HydrophobicContact CB-CE1 4.44Å; Y231-H576 HydrophobicContact CD2-CB 3.82Å; Y231-H576 AromaticContact CD2-CD2 3.79Å; Y231-H576 HydrophobicContact CE2-CB 4.07Å; Y231-H576 AromaticContact CE2-CD2 3.57Å; Y231-H576 AromaticContact CZ-CD2 3.87Å; Y231-F651 AromaticContact CE2-CE2 3.83Å; Y231-F651 HydrophobicContact CE2-CE2 3.83Å; Y231-F651 HydrophobicContact CE2-CZ 4.32Å
232	I	98.7	Very high	96.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.111	C	C	.	.			trans	-121.9	-67.4	176.1	-54.4	177.3	0	0	0	109.1	R144 A191 T566 K570 E575 H576	R144-I232 VanDerWaalsContact O-CD1 3.32Å; R144-I232 WeakPolarHBondContact O-CD1 3.43Å; A191-I232 HydrophobicContact CB-CD1 4.18Å; I232-T566 HydrophobicContact CD1-CG2 3.77Å; I232-T566 HydrophobicContact CG2-CG2 3.85Å; I232-K570 HydrophobicContact CG2-CG 4.41Å; I232-E575 CarbonylContact O-C 3.57Å; I232-E575 WeakPolarHBondContact O-CA 3.47Å; I232-H576 PolarHBondContact O-N 2.79Å
233	F	98	Very high	96.5	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.035	12%	0.115	C	C	.	.	S	Bend	trans	-85.7	162.8	-177.6	-42.4	-71.8	0	0	0	111.7	F225 P237 S238 I241 T566 L569 K570 F573	F225-F233 WeakPolarHBondContact CZ-O 3.48Å; F233-P237 HydrophobicContact CB-CG 4.08Å; F233-S238 PolarHBondContact O-OG 2.81Å; F233-I241 HydrophobicContact CD2-CD1 3.53Å; F233-I241 HydrophobicContact CE2-CD1 3.57Å; F233-I241 HydrophobicContact CG-CD1 4.46Å; F233-T566 HydrophobicContact CE1-CG2 4.43Å; F233-T566 HydrophobicContact CZ-CG2 3.92Å; F233-L569 HydrophobicContact CE1-CB 3.72Å; F233-L569 HydrophobicContact CE2-CD1 4.37Å; F233-L569 HydrophobicContact CZ-CB 3.67Å; F233-L569 HydrophobicContact CZ-CD1 4.02Å; F233-L569 HydrophobicContact CZ-CG 4.5Å; F233-K570 HydrophobicContact CD1-CG 4.27Å; F233-K570 HydrophobicContact CE1-CB 4.46Å; F233-K570 HydrophobicContact CE1-CG 3.67Å; F233-F573 HydrophobicContact CB-CB 4.24Å; F233-F573 HydrophobicContact CD1-CB 3.79Å; F233-F573 HydrophobicContact CD1-CD2 4.08Å; F233-F573 HydrophobicContact CD1-CG 4.47Å; F233-F573 HydrophobicContact CE1-CD2 4.42Å; F233-F573 HydrophobicContact CG-CB 4.27Å; F233-F573 HydrophobicContact CG-CD2 4.25Å
234	P	94.9	Very high	96.4	Very high	37 Å²	37	23.1 Å²	23.1	24%	0.24	12%	0.116	C	C	.	.			trans	-56.8	165.3	169.7	-25.3	35.5	0	0	0	113.7	E236 P237 S238 F573	P234-E236 PolarHBondContact O-N 2.88Å; P234-P237 HydrophobicContact CB-CG 4.11Å; P234-P237 HydrophobicContact CG-CG 4.4Å; P234-P237 WeakPolarHBondContact O-CD 3.25Å; P234-P237 WeakPolarHBondContact O-CG 3.38Å; P234-S238 WeakPolarHBondContact O-CB 3.49Å; P234-S238 PolarHBondContact O-N 3.11Å; P234-S238 PolarHBondContact O-OG 3.35Å; P234-F573 WeakPolarHBondContact CD-O 3.44Å
235	P	91.5	Very high	96.3	Very high	31 Å²	31	23.1 Å²	23.1	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-56.1	-50	-176.3	-28.9	36.2	0	0	0	114.7	F225 S238 M239	F225-P235 HydrophobicContact CD1-CG 4.43Å; F225-P235 HydrophobicContact CD2-CG 4.24Å; F225-P235 HydrophobicContact CE1-CG 4.14Å; F225-P235 HydrophobicContact CE2-CB 4Å; F225-P235 HydrophobicContact CE2-CG 3.93Å; F225-P235 HydrophobicContact CG-CG 4.49Å; F225-P235 HydrophobicContact CZ-CB 4.26Å; F225-P235 HydrophobicContact CZ-CG 3.89Å; P235-S238 WeakPolarHBondContact O-CB 3.46Å; P235-S238 PolarHBondContact O-N 2.97Å; P235-M239 WeakPolarHBondContact O-CG 3.39Å; P235-M239 PolarHBondContact O-N 2.72Å
236	E	91.9	Very high	96.3	Very high	170 Å²	170	22.6 Å²	22.6	79%	0.794	11%	0.114	S	C	*	.	H	α-helix	trans	-56.6	-56.3	-177.7	-66.9	180	-179.4	0	0	114	P234 S238 M239 K240	P234-E236 PolarHBondContact O-N 2.88Å; E236-S238 PolarHBondContact O-N 2.73Å; E236-M239 PolarHBondContact O-N 2.78Å; E236-M239 VanDerWaalsContact O-N 3.16Å; E236-K240 PolarHBondContact O-N 3.12Å; E236-K240 VanDerWaalsContact O-N 3.13Å
237	P	96.2	Very high	96.1	Very high	22 Å²	22	26.5 Å²	26.5	14%	0.143	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-28.8	177.3	23.6	-33.1	0	0	0	112.8	F233 P234 K240 I241 F573	F233-P237 HydrophobicContact CB-CG 4.08Å; P234-P237 HydrophobicContact CB-CG 4.11Å; P234-P237 HydrophobicContact CG-CG 4.4Å; P234-P237 WeakPolarHBondContact O-CD 3.25Å; P234-P237 WeakPolarHBondContact O-CG 3.38Å; P237-K240 PolarHBondContact O-N 3.24Å; P237-I241 WeakPolarHBondContact O-CG1 3.43Å; P237-I241 PolarHBondContact O-N 2.9Å; P237-F573 HydrophobicContact CB-CB 3.93Å; P237-F573 HydrophobicContact CB-CD1 3.55Å; P237-F573 HydrophobicContact CB-CD2 3.7Å; P237-F573 HydrophobicContact CB-CE1 3.9Å; P237-F573 HydrophobicContact CB-CE2 4.02Å; P237-F573 HydrophobicContact CB-CG 3.45Å; P237-F573 VanDerWaalsContact CB-CG 3.45Å; P237-F573 HydrophobicContact CB-CZ 4.11Å; P237-F573 HydrophobicContact CG-CB 3.98Å; P237-F573 HydrophobicContact CG-CD1 4.32Å; P237-F573 HydrophobicContact CG-CG 4.07Å
238	S	96.7	Very high	96	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-67.1	-37.1	174.3	-56.2	0	0	0	0	112.5	F233 P234 P235 E236 I241 I242	F233-S238 PolarHBondContact O-OG 2.81Å; P234-S238 WeakPolarHBondContact O-CB 3.49Å; P234-S238 PolarHBondContact O-N 3.11Å; P234-S238 PolarHBondContact O-OG 3.35Å; P235-S238 WeakPolarHBondContact O-CB 3.46Å; P235-S238 PolarHBondContact O-N 2.97Å; E236-S238 PolarHBondContact O-N 2.73Å; S238-I241 WeakPolarHBondContact O-CB 3.12Å; S238-I241 PolarHBondContact O-N 3.07Å; S238-I242 WeakPolarHBondContact O-CG1 3.32Å; S238-I242 PolarHBondContact O-N 3.19Å; S238-I242 VanDerWaalsContact O-N 3.14Å
239	M	94.4	Very high	95.9	Very high	21 Å²	21	24.4 Å²	24.4	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-70.5	-34.2	174	-62.9	-58.1	-65.9	0	0	112	I221 L222 P235 E236 I242 A243 E286 Y287 T290	I221-M239 HydrophobicContact CG2-SD 3.81Å; L222-M239 HydrophobicContact CD1-CE 4.4Å; L222-M239 HydrophobicContact CD1-SD 4.44Å; L222-M239 HydrophobicContact CD2-SD 4.13Å; L222-M239 HydrophobicContact CG-SD 4.11Å; P235-M239 WeakPolarHBondContact O-CG 3.39Å; P235-M239 PolarHBondContact O-N 2.72Å; E236-M239 PolarHBondContact O-N 2.78Å; E236-M239 VanDerWaalsContact O-N 3.16Å; M239-I242 PolarHBondContact O-N 3.44Å; M239-I242 HydrophobicContact SD-CD1 4.22Å; M239-A243 PolarHBondContact O-N 2.67Å; M239-E286 HydrophobicContact CE-CG 4.29Å; M239-Y287 HydrophobicContact CE-CD1 3.66Å; M239-Y287 HydrophobicContact CE-CE1 3.52Å; M239-Y287 HydrophobicContact SD-CE1 3.83Å; M239-T290 HydrophobicContact CE-CG2 4.43Å; M239-T290 WeakPolarHBondContact CE-OG1 3.29Å; M239-T290 WeakPolarHBondContact O-CG2 3.3Å
240	K	95	Very high	95.6	Very high	79 Å²	79	26.1 Å²	26.1	34%	0.343	14%	0.137	S	C	.	.	H	α-helix	trans	-63.1	-40.7	169.9	168.6	57.5	175.4	159.3	0	111.9	E236 P237 I242 A243 D244	E236-K240 PolarHBondContact O-N 3.12Å; E236-K240 VanDerWaalsContact O-N 3.13Å; P237-K240 PolarHBondContact O-N 3.24Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.46Å; K240-A243 WeakPolarHBondContact O-CB 3.18Å; K240-A243 PolarHBondContact O-N 3.07Å; K240-D244 WeakPolarHBondContact CD-OD1 3.39Å; K240-D244 WeakPolarHBondContact CE-OD1 2.96Å; K240-D244 IonicContact NZ-OD1 2.89Å; K240-D244 PolarHBondContact NZ-OD1 2.75Å; K240-D244 IonicContact NZ-OD2 2.73Å; K240-D244 PolarHBondContact O-N 3.05Å
241	I	98.2	Very high	95.3	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-57.3	-42.1	172	-79	166.6	0	0	0	111.5	V192 I193 F233 P237 S238 D244 I245 I548 L569 F573	V192-I241 HydrophobicContact CG1-CG2 3.83Å; I193-I241 HydrophobicContact CD1-CG2 3.96Å; I193-I241 HydrophobicContact CG1-CG1 4.43Å; I193-I241 HydrophobicContact CG1-CG2 3.64Å; F233-I241 HydrophobicContact CD2-CD1 3.53Å; F233-I241 HydrophobicContact CE2-CD1 3.57Å; F233-I241 HydrophobicContact CG-CD1 4.46Å; P237-I241 WeakPolarHBondContact O-CG1 3.43Å; P237-I241 PolarHBondContact O-N 2.9Å; S238-I241 WeakPolarHBondContact O-CB 3.12Å; S238-I241 PolarHBondContact O-N 3.07Å; I241-D244 PolarHBondContact O-N 3.05Å; I241-I245 HydrophobicContact CG2-CD1 3.93Å; I241-I245 WeakPolarHBondContact O-CD1 3.41Å; I241-I245 VanDerWaalsContact O-CG1 3.28Å; I241-I245 WeakPolarHBondContact O-CG1 3.46Å; I241-I245 PolarHBondContact O-N 3.3Å; I241-I245 VanDerWaalsContact O-N 3.12Å; I241-I548 HydrophobicContact CG1-CD1 4.04Å; I241-L569 HydrophobicContact CD1-CD1 4.36Å; I241-F573 HydrophobicContact CD1-CE2 4.28Å
242	I	96.7	Very high	95.2	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-41	177	-67.9	173.4	0	0	0	111.6	N219 I221 S238 M239 K240 D244 I245 F246 Y287 T290	N219-I242 WeakPolarHBondContact O-CD1 3.36Å; N219-I242 WeakPolarHBondContact OD1-CG1 3.47Å; I221-I242 HydrophobicContact CB-CD1 4.07Å; I221-I242 HydrophobicContact CG2-CD1 3.59Å; S238-I242 WeakPolarHBondContact O-CG1 3.32Å; S238-I242 PolarHBondContact O-N 3.19Å; S238-I242 VanDerWaalsContact O-N 3.14Å; M239-I242 PolarHBondContact O-N 3.44Å; M239-I242 HydrophobicContact SD-CD1 4.22Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.46Å; I242-D244 PolarHBondContact O-N 3.05Å; I242-I245 PolarHBondContact O-N 2.94Å; I242-F246 HydrophobicContact CG2-CD1 4.29Å; I242-F246 HydrophobicContact CG2-CD2 4.2Å; I242-F246 HydrophobicContact CG2-CE1 3.74Å; I242-F246 HydrophobicContact CG2-CE2 3.65Å; I242-F246 HydrophobicContact CG2-CZ 3.4Å; I242-F246 WeakPolarHBondContact O-CG 3.15Å; I242-F246 PolarHBondContact O-N 3.44Å; I242-Y287 HydrophobicContact CD1-CD1 4.31Å; I242-Y287 HydrophobicContact CD1-CE1 3.51Å; I242-Y287 HydrophobicContact CG2-CD1 4.08Å; I242-Y287 HydrophobicContact CG2-CE1 4.32Å; I242-T290 HydrophobicContact CG2-CG2 4.43Å
243	A	94.7	Very high	95.1	Very high	11 Å²	11	36 Å²	36	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-46.8	174.7	0	0	0	0	0	112.2	M239 K240 I245 F246 E247 T290 A294	M239-A243 PolarHBondContact O-N 2.67Å; K240-A243 WeakPolarHBondContact O-CB 3.18Å; K240-A243 PolarHBondContact O-N 3.07Å; A243-I245 VanDerWaalsContact C-N 3.34Å; A243-I245 PolarHBondContact O-N 2.85Å; A243-F246 PolarHBondContact O-N 3.42Å; A243-E247 PolarHBondContact O-N 2.77Å; A243-T290 HydrophobicContact CB-CG2 3.79Å; A243-A294 HydrophobicContact CB-CB 4Å
244	D	96.9	Very high	94.8	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-37.9	178.9	-76.1	22	0	0	0	112.2	K240 I241 I242 Y248 N547 I548	K240-D244 WeakPolarHBondContact CD-OD1 3.39Å; K240-D244 WeakPolarHBondContact CE-OD1 2.96Å; K240-D244 IonicContact NZ-OD1 2.89Å; K240-D244 PolarHBondContact NZ-OD1 2.75Å; K240-D244 IonicContact NZ-OD2 2.73Å; K240-D244 PolarHBondContact O-N 3.05Å; I241-D244 PolarHBondContact O-N 3.05Å; I242-D244 PolarHBondContact O-N 3.05Å; D244-Y248 WeakPolarHBondContact O-CB 3.36Å; D244-Y248 PolarHBondContact O-N 3.09Å; D244-N547 WeakPolarHBondContact CA-ND2 3.47Å; D244-N547 PolarHBondContact O-ND2 2.65Å; D244-I548 WeakPolarHBondContact OD2-CB 3.44Å; D244-I548 WeakPolarHBondContact OD2-CG1 3.46Å; D244-I548 PolarHBondContact OD2-N 2.98Å
245	I	97.1	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-43.1	174.2	-67.4	162.9	0	0	0	110.2	V192 I193 L196 N219 I241 I242 A243 T249 L549	V192-I245 HydrophobicContact CB-CD1 4.35Å; V192-I245 HydrophobicContact CG1-CD1 3.66Å; V192-I245 HydrophobicContact CG2-CD1 3.76Å; I193-I245 HydrophobicContact CD1-CD1 3.91Å; I193-I245 HydrophobicContact CD1-CG1 3.82Å; L196-I245 HydrophobicContact CD2-CG2 3.98Å; N219-I245 WeakPolarHBondContact OD1-CD1 3.21Å; I241-I245 HydrophobicContact CG2-CD1 3.93Å; I241-I245 WeakPolarHBondContact O-CD1 3.41Å; I241-I245 VanDerWaalsContact O-CG1 3.28Å; I241-I245 WeakPolarHBondContact O-CG1 3.46Å; I241-I245 PolarHBondContact O-N 3.3Å; I241-I245 VanDerWaalsContact O-N 3.12Å; I242-I245 PolarHBondContact O-N 2.94Å; A243-I245 VanDerWaalsContact C-N 3.34Å; A243-I245 PolarHBondContact O-N 2.85Å; I245-T249 HydrophobicContact CG2-CG2 4.17Å; I245-T249 VanDerWaalsContact O-CB 3.31Å; I245-T249 WeakPolarHBondContact O-CB 3.25Å; I245-T249 VanDerWaalsContact O-CG2 3.28Å; I245-T249 WeakPolarHBondContact O-CG2 3.34Å; I245-T249 PolarHBondContact O-N 3.47Å; I245-T249 PolarHBondContact O-OG1 2.72Å; I245-L549 HydrophobicContact CG1-CB 4.49Å; I245-L549 HydrophobicContact CG1-CD2 4.22Å
246	F	94.4	Very high	94.8	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-48.2	177.6	-68.8	-8.1	0	0	0	111.7	I242 A243 T249 A250 I259 L296	I242-F246 HydrophobicContact CG2-CD1 4.29Å; I242-F246 HydrophobicContact CG2-CD2 4.2Å; I242-F246 HydrophobicContact CG2-CE1 3.74Å; I242-F246 HydrophobicContact CG2-CE2 3.65Å; I242-F246 HydrophobicContact CG2-CZ 3.4Å; I242-F246 WeakPolarHBondContact O-CG 3.15Å; I242-F246 PolarHBondContact O-N 3.44Å; A243-F246 PolarHBondContact O-N 3.42Å; F246-T249 PolarHBondContact O-N 3.17Å; F246-T249 PolarHBondContact O-OG1 3.07Å; F246-A250 VanDerWaalsContact O-CB 3.26Å; F246-A250 WeakPolarHBondContact O-CB 3.4Å; F246-A250 PolarHBondContact O-N 2.99Å; F246-I259 HydrophobicContact CE1-CB 3.93Å; F246-I259 HydrophobicContact CE1-CG2 3.92Å; F246-I259 HydrophobicContact CZ-CB 4.14Å; F246-I259 HydrophobicContact CZ-CD1 4.04Å; F246-I259 HydrophobicContact CZ-CG2 3.89Å; F246-L296 HydrophobicContact CB-CD1 3.91Å
247	E	93.6	Very high	94.9	Very high	83 Å²	83	34.3 Å²	34.3	39%	0.388	17%	0.172	S	C	.	.	H	α-helix	trans	-56.7	-52.7	176.3	-172.8	-159.2	-166.2	0	0	111.5	A243 T249 K251 N547	A243-E247 PolarHBondContact O-N 2.77Å; E247-T249 PolarHBondContact O-N 2.78Å; E247-K251 WeakPolarHBondContact O-CB 3.36Å; E247-K251 PolarHBondContact O-N 2.96Å; E247-N547 PolarHBondContact OE2-ND2 2.91Å
248	Y	95.9	Very high	94.8	Very high	14 Å²	14	33.6 Å²	33.6	6%	0.055	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-46.5	-177.2	-174.4	-80.5	0	0	0	111.9	I200 K210 D244 K251 H252 M253 L549 A550	I200-Y248 HydrophobicContact CD1-CE1 3.9Å; K210-Y248 PolarHBondContact NZ-OH 3.45Å; D244-Y248 WeakPolarHBondContact O-CB 3.36Å; D244-Y248 PolarHBondContact O-N 3.09Å; Y248-K251 PolarHBondContact O-N 3.48Å; Y248-H252 HydrophobicContact CD1-CB 4.27Å; Y248-H252 AromaticContact CD2-CD2 3.98Å; Y248-H252 HydrophobicContact CE1-CB 3.95Å; Y248-H252 AromaticContact CE2-CD2 3.91Å; Y248-H252 WeakPolarHBondContact O-CB 3.41Å; Y248-H252 PolarHBondContact O-CD2 3.31Å; Y248-H252 PolarHBondContact O-N 3.22Å; Y248-M253 HydrophobicContact CE1-SD 4.27Å; Y248-L549 HydrophobicContact CD1-CD2 3.61Å; Y248-L549 HydrophobicContact CD1-CG 4.22Å; Y248-L549 HydrophobicContact CD2-CB 4.49Å; Y248-L549 HydrophobicContact CD2-CG 4.42Å; Y248-L549 HydrophobicContact CE1-CD2 4.28Å; Y248-L549 HydrophobicContact CG-CB 4.38Å; Y248-L549 HydrophobicContact CG-CD2 3.78Å; Y248-L549 HydrophobicContact CG-CG 4.13Å; Y248-A550 HydrophobicContact CD2-CB 3.93Å; Y248-A550 HydrophobicContact CE2-CB 3.81Å
249	T	95	Very high	94.8	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-73.8	-34.7	-175.1	53.8	0	0	0	0	112.6	I245 F246 E247 K251 M253 S258	I245-T249 HydrophobicContact CG2-CG2 4.17Å; I245-T249 VanDerWaalsContact O-CB 3.31Å; I245-T249 WeakPolarHBondContact O-CB 3.25Å; I245-T249 VanDerWaalsContact O-CG2 3.28Å; I245-T249 WeakPolarHBondContact O-CG2 3.34Å; I245-T249 PolarHBondContact O-N 3.47Å; I245-T249 PolarHBondContact O-OG1 2.72Å; F246-T249 PolarHBondContact O-N 3.17Å; F246-T249 PolarHBondContact O-OG1 3.07Å; E247-T249 PolarHBondContact O-N 2.78Å; T249-K251 VanDerWaalsContact C-N 3.26Å; T249-K251 PolarHBondContact O-N 2.81Å; T249-M253 HydrophobicContact CG2-CB 4.44Å; T249-M253 HydrophobicContact CG2-SD 4.15Å; T249-M253 CarbonylContact O-C 3.05Å; T249-M253 VanDerWaalsContact O-CA 3.29Å; T249-M253 WeakPolarHBondContact O-CA 3.44Å; T249-M253 PolarHBondContact O-N 2.99Å; T249-S258 WeakPolarHBondContact CB-OG 3.5Å; T249-S258 WeakPolarHBondContact OG1-CB 3.42Å; T249-S258 PolarHBondContact OG1-OG 3.39Å
250	A	90.5	Very high	94.9	Very high	37 Å²	37	33 Å²	33	31%	0.306	17%	0.165	S	C	.	.	H	α-helix	trans	-58.7	-40.7	171.2	0	0	0	0	0	111.5	F246 L296	F246-A250 VanDerWaalsContact O-CB 3.26Å; F246-A250 WeakPolarHBondContact O-CB 3.4Å; F246-A250 PolarHBondContact O-N 2.99Å; A250-L296 HydrophobicContact CB-CD1 4.11Å; A250-L296 HydrophobicContact CB-CD2 4.05Å
251	K	92.3	Very high	95.1	Very high	151 Å²	151	29.2 Å²	29.2	66%	0.657	15%	0.149	S	C	*	.	H	α-helix	trans	-78.3	-40.4	-178.9	-174.1	177.1	176.5	-178.2	0	114.4	E247 Y248 T249	E247-K251 WeakPolarHBondContact O-CB 3.36Å; E247-K251 PolarHBondContact O-N 2.96Å; Y248-K251 PolarHBondContact O-N 3.48Å; T249-K251 VanDerWaalsContact C-N 3.26Å; T249-K251 PolarHBondContact O-N 2.81Å
252	H	96.3	Very high	95.1	Very high	64 Å²	64	28.9 Å²	28.9	30%	0.296	15%	0.147	S	C	.	.	H	α-helix	trans	-115	-17.1	-168.6	-64.9	-63.9	0	0	0	115.1	K210 E211 Y248	K210-H252 CarbonylContact C-O 3.33Å; K210-H252 WeakPolarHBondContact CB-O 3.24Å; E211-H252 PolarHBondContact N-O 2.89Å; Y248-H252 HydrophobicContact CD1-CB 4.27Å; Y248-H252 AromaticContact CD2-CD2 3.98Å; Y248-H252 HydrophobicContact CE1-CB 3.95Å; Y248-H252 AromaticContact CE2-CD2 3.91Å; Y248-H252 WeakPolarHBondContact O-CB 3.41Å; Y248-H252 PolarHBondContact O-CD2 3.31Å; Y248-H252 PolarHBondContact O-N 3.22Å
253	M	96.5	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.			trans	-137.7	53.3	-173.6	-60.6	172	67	0	0	112	L196 F199 I200 K210 L213 Y248 T249 K255 F256	L196-M253 HydrophobicContact CD1-CE 4.47Å; F199-M253 HydrophobicContact CE1-CE 4.47Å; I200-M253 HydrophobicContact CD1-SD 3.7Å; I200-M253 HydrophobicContact CG1-CE 4.12Å; I200-M253 HydrophobicContact CG1-SD 3.78Å; K210-M253 HydrophobicContact CB-CG 4.2Å; L213-M253 HydrophobicContact CB-CE 4.21Å; L213-M253 HydrophobicContact CD1-CE 4.14Å; Y248-M253 HydrophobicContact CE1-SD 4.27Å; T249-M253 HydrophobicContact CG2-CB 4.44Å; T249-M253 HydrophobicContact CG2-SD 4.15Å; T249-M253 CarbonylContact O-C 3.05Å; T249-M253 VanDerWaalsContact O-CA 3.29Å; T249-M253 WeakPolarHBondContact O-CA 3.44Å; T249-M253 PolarHBondContact O-N 2.99Å; M253-K255 PolarHBondContact O-N 2.87Å; M253-F256 HydrophobicContact CB-CB 3.88Å; M253-F256 HydrophobicContact CE-CB 4.01Å; M253-F256 HydrophobicContact CE-CD1 4.04Å; M253-F256 HydrophobicContact CE-CD2 3.78Å; M253-F256 HydrophobicContact CE-CE1 4.43Å; M253-F256 HydrophobicContact CE-CE2 4.22Å; M253-F256 HydrophobicContact CE-CG 3.69Å; M253-F256 WeakPolarHBondContact O-CB 3.29Å; M253-F256 PolarHBondContact O-N 3.44Å
254	P	91.8	Very high	95.3	Very high	60 Å²	60	29.5 Å²	29.5	39%	0.39	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	2.3	-169.3	29	-38.6	0	0	0	115.9	E211 R304	E211-P254 HydrophobicContact CB-CG 4.44Å; P254-R304 VanDerWaalsContact O-CZ 3.23Å; P254-R304 PolarHBondContact O-NE 3.38Å; P254-R304 PolarHBondContact O-NH2 3.32Å
255	K	92.1	Very high	95.4	Very high	115 Å²	115	30.2 Å²	30.2	50%	0.5	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-6.1	173.1	-64.6	-178.8	-176.8	168.9	0	113.6	T214 M253	T214-K255 HydrophobicContact CG2-CB 4.05Å; T214-K255 HydrophobicContact CG2-CD 4.14Å; M253-K255 PolarHBondContact O-N 2.87Å
256	F	94.4	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.5	-179.5	-163.8	-100.2	0	0	0	109.9	M186 L196 F199 I217 M253 R304	M186-F256 HydrophobicContact CE-CE2 4.33Å; M186-F256 HydrophobicContact CE-CZ 3.79Å; L196-F256 HydrophobicContact CD1-CE1 3.94Å; L196-F256 HydrophobicContact CD1-CZ 3.94Å; F199-F256 HydrophobicContact CD1-CE2 4.41Å; F199-F256 HydrophobicContact CE1-CD2 4.44Å; F199-F256 AromaticContact CE1-CE2 3.79Å; F199-F256 HydrophobicContact CE1-CE2 3.79Å; F199-F256 HydrophobicContact CE1-CZ 4.48Å; F199-F256 HydrophobicContact CZ-CE2 4.48Å; I217-F256 HydrophobicContact CB-CE1 3.91Å; I217-F256 HydrophobicContact CB-CZ 4.05Å; I217-F256 HydrophobicContact CG2-CE1 3.67Å; I217-F256 HydrophobicContact CG2-CZ 4.33Å; M253-F256 HydrophobicContact CB-CB 3.88Å; M253-F256 HydrophobicContact CE-CB 4.01Å; M253-F256 HydrophobicContact CE-CD1 4.04Å; M253-F256 HydrophobicContact CE-CD2 3.78Å; M253-F256 HydrophobicContact CE-CE1 4.43Å; M253-F256 HydrophobicContact CE-CE2 4.22Å; M253-F256 HydrophobicContact CE-CG 3.69Å; M253-F256 WeakPolarHBondContact O-CB 3.29Å; M253-F256 PolarHBondContact O-N 3.44Å; F256-R304 WeakPolarHBondContact O-CD 3.36Å
257	N	93.3	Very high	95.6	Very high	37 Å²	37	30.4 Å²	30.4	20%	0.198	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.3	175.8	-54.7	-35.2	0	0	0	108.4	G215 T216 I217 I259 R304	G215-N257 PolarHBondContact O-N 2.97Å; T216-N257 VanDerWaalsContact CA-O 3.31Å; T216-N257 WeakPolarHBondContact CA-O 3.33Å; T216-N257 HydrophobicContact CG2-CB 3.94Å; T216-N257 WeakPolarHBondContact OG1-CB 3.33Å; T216-N257 PolarHBondContact OG1-ND2 3.09Å; I217-N257 PolarHBondContact N-O 3.06Å; I217-N257 VanDerWaalsContact N-O 3.1Å; N257-I259 PolarHBondContact O-N 2.88Å; N257-R304 WeakPolarHBondContact CA-O 3.48Å; N257-R304 VanDerWaalsContact CB-O 3.25Å; N257-R304 WeakPolarHBondContact CB-O 3.3Å
258	S	94.2	Very high	95.9	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.049	14%	0.141	C	C	.	.			trans	-82.3	0.5	-166.4	-43	0	0	0	0	114.5	N219 T249	N219-S258 WeakPolarHBondContact CB-O 3.38Å; N219-S258 PolarHBondContact ND2-O 2.95Å; T249-S258 WeakPolarHBondContact CB-OG 3.5Å; T249-S258 WeakPolarHBondContact OG1-CB 3.42Å; T249-S258 PolarHBondContact OG1-OG 3.39Å
259	I	97.3	Very high	96	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	148.7	173.1	-169.8	164.8	0	0	0	110.7	I217 Q218 N219 D220 F246 N257 I261 Y287 L305 S306	I217-I259 CarbonylContact O-C 3.42Å; I217-I259 WeakPolarHBondContact O-CA 3.36Å; Q218-I259 WeakPolarHBondContact O-CA 3.39Å; Q218-I259 WeakPolarHBondContact O-CG1 3.23Å; N219-I259 WeakPolarHBondContact O-CD1 3.34Å; D220-I259 HydrophobicContact CB-CG1 4.46Å; F246-I259 HydrophobicContact CE1-CB 3.93Å; F246-I259 HydrophobicContact CE1-CG2 3.92Å; F246-I259 HydrophobicContact CZ-CB 4.14Å; F246-I259 HydrophobicContact CZ-CD1 4.04Å; F246-I259 HydrophobicContact CZ-CG2 3.89Å; N257-I259 PolarHBondContact O-N 2.88Å; I259-I261 HydrophobicContact CD1-CG1 4.24Å; I259-I261 HydrophobicContact CG1-CG1 4.14Å; I259-I261 HydrophobicContact CG2-CG1 4.35Å; I259-Y287 HydrophobicContact CD1-CD1 3.68Å; I259-Y287 HydrophobicContact CD1-CD2 3.37Å; I259-Y287 HydrophobicContact CD1-CE1 3.89Å; I259-Y287 HydrophobicContact CD1-CE2 3.54Å; I259-Y287 HydrophobicContact CD1-CG 3.45Å; I259-Y287 VanDerWaalsContact CD1-CG 3.45Å; I259-L305 HydrophobicContact CG2-CD2 3.29Å; I259-S306 PolarHBondContact O-N 3.14Å; I259-S306 PolarHBondContact O-OG 3.28Å
260	S	96.8	Very high	96.1	Very high	11 Å²	11	28.1 Å²	28.1	8%	0.077	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	99	168.1	-160.5	0	0	0	0	108.7	I217 Q218 S262 S306	I217-S260 PolarHBondContact O-N 2.89Å; Q218-S260 PolarHBondContact O-N 2.92Å; S260-S262 PolarHBondContact O-N 3.02Å; S260-S262 PolarHBondContact O-OG 2.96Å; S260-S306 CarbonylContact C-O 3.57Å; S260-S306 WeakPolarHBondContact CA-O 3.41Å; S260-S306 WeakPolarHBondContact CA-OG 3.39Å; S260-S306 WeakPolarHBondContact CB-OG 3.26Å; S260-S306 PolarHBondContact OG-OG 3.18Å
261	I	98.4	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.1	-173	-50.6	159.7	0	0	0	108.2	D220 I259 T280 D283 Y287 L305 S306 F307 F308	D220-I261 WeakPolarHBondContact OD2-CA 3.44Å; I259-I261 HydrophobicContact CD1-CG1 4.24Å; I259-I261 HydrophobicContact CG1-CG1 4.14Å; I259-I261 HydrophobicContact CG2-CG1 4.35Å; I261-T280 HydrophobicContact CB-CG2 4.47Å; I261-T280 HydrophobicContact CG2-CG2 3.82Å; I261-T280 WeakPolarHBondContact CG2-O 3.18Å; I261-T280 WeakPolarHBondContact O-CG2 3.35Å; I261-D283 HydrophobicContact CG2-CB 4.08Å; I261-Y287 HydrophobicContact CG1-CD2 4.16Å; I261-Y287 HydrophobicContact CG2-CD2 4.39Å; I261-L305 HydrophobicContact CD1-CB 4.43Å; I261-L305 HydrophobicContact CD1-CD1 4.47Å; I261-L305 HydrophobicContact CD1-CD2 4.29Å; I261-S306 PolarHBondContact N-O 3.03Å; I261-F307 HydrophobicContact CB-CD1 3.87Å; I261-F307 HydrophobicContact CB-CE1 3.89Å; I261-F307 HydrophobicContact CB-CG 4.43Å; I261-F307 HydrophobicContact CB-CZ 4.48Å; I261-F307 HydrophobicContact CD1-CD1 4.43Å; I261-F307 HydrophobicContact CD1-CE1 3.8Å; I261-F307 HydrophobicContact CD1-CE2 3.95Å; I261-F307 HydrophobicContact CD1-CZ 3.54Å; I261-F307 HydrophobicContact CG1-CE1 4.46Å; I261-F307 HydrophobicContact CG2-CD1 4.25Å; I261-F307 HydrophobicContact CG2-CE1 4Å; I261-F307 CarbonylContact O-C 3.47Å; I261-F307 WeakPolarHBondContact O-CA 3.31Å; I261-F308 PolarHBondContact O-N 2.94Å
262	S	98.3	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	97.3	-147.9	-73.2	0	0	0	0	115.4	Q218 D220 S260 F308	Q218-S262 WeakPolarHBondContact CG-OG 3.19Å; D220-S262 PolarHBondContact OD2-N 2.71Å; S260-S262 PolarHBondContact O-N 3.02Å; S260-S262 PolarHBondContact O-OG 2.96Å; S262-F308 CarbonylContact C-O 3.6Å; S262-F308 WeakPolarHBondContact CA-O 3.27Å
263	G	98.5	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.			trans	-74.5	-27.8	170.2	0	0	0	0	0	115.3	H265 M266 Q267 E276 T280 F308	G263-H265 VanDerWaalsContact C-N 3.32Å; G263-H265 PolarHBondContact O-N 2.94Å; G263-H265 VanDerWaalsContact O-N 3.13Å; G263-M266 WeakPolarHBondContact O-CA 3.23Å; G263-M266 VanDerWaalsContact O-CB 3.28Å; G263-M266 WeakPolarHBondContact O-CB 3.47Å; G263-M266 PolarHBondContact O-N 3.27Å; G263-Q267 PolarHBondContact O-N 3.03Å; G263-Q267 VanDerWaalsContact O-N 3.17Å; G263-E276 WeakPolarHBondContact O-CG 3.16Å; G263-T280 WeakPolarHBondContact CA-OG1 3.36Å; G263-T280 PolarHBondContact N-OG1 3.12Å; G263-F308 PolarHBondContact N-O 3.38Å
264	Y	98.3	Very high	97	Very high	25 Å²	25	17.8 Å²	17.8	10%	0.098	9%	0.094	C	C	.	.	H	α-helix	trans	-41.7	-56	-177.9	174.4	-98.3	0	0	0	113.2	M266 Q267 E268 F308 Q352	Y264-M266 VanDerWaalsContact C-N 3.25Å; Y264-M266 PolarHBondContact O-N 2.92Å; Y264-Q267 WeakPolarHBondContact O-CB 3.36Å; Y264-Q267 PolarHBondContact O-N 3.41Å; Y264-Q267 VanDerWaalsContact O-N 3.11Å; Y264-E268 HydrophobicContact CD1-CG 4.07Å; Y264-E268 HydrophobicContact CD2-CG 4.36Å; Y264-E268 HydrophobicContact CE1-CG 3.59Å; Y264-E268 HydrophobicContact CE2-CG 3.9Å; Y264-E268 HydrophobicContact CG-CG 4.41Å; Y264-E268 VanDerWaalsContact CZ-CG 3.48Å; Y264-E268 WeakPolarHBondContact O-CG 3.21Å; Y264-E268 PolarHBondContact O-N 3.42Å; Y264-E268 PolarHBondContact OH-OE2 3.2Å; Y264-F308 AromaticContact CD1-CE1 3.8Å; Y264-F308 HydrophobicContact CD1-CE1 3.8Å; Y264-F308 AromaticContact CD1-CZ 3.76Å; Y264-F308 HydrophobicContact CD1-CZ 3.76Å; Y264-F308 HydrophobicContact CD2-CE2 4.2Å; Y264-F308 AromaticContact CD2-CZ 3.89Å; Y264-F308 HydrophobicContact CD2-CZ 3.89Å; Y264-F308 HydrophobicContact CE1-CZ 4.5Å; Y264-F308 AromaticContact CG-CE1 3.72Å; Y264-F308 HydrophobicContact CG-CE1 3.72Å; Y264-F308 HydrophobicContact CG-CE2 4.04Å; Y264-F308 AromaticContact CG-CZ 3.44Å; Y264-F308 HydrophobicContact CG-CZ 3.44Å; Y264-F308 VanDerWaalsContact CG-CZ 3.44Å; Y264-F308 PolarHBondContact N-O 3.15Å; Y264-Q352 HydrophobicContact CD2-CB 3.73Å; Y264-Q352 HydrophobicContact CD2-CG 4.13Å; Y264-Q352 HydrophobicContact CE2-CB 3.64Å; Y264-Q352 HydrophobicContact CE2-CG 3.5Å; Y264-Q352 PolarHBondContact OH-NE2 2.73Å
265	H	97.7	Very high	97.4	Very high	20 Å²	20	15.6 Å²	15.6	9%	0.093	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-25.4	-176.2	-36	86.7	0	0	0	113.2	Q218 K223 V227 R228 G263 A269 F308	Q218-H265 PolarHBondContact NE2-CE1 3.39Å; Q218-H265 PolarHBondContact NE2-NE2 3.41Å; K223-H265 HydrophobicContact CD-CB 4.19Å; K223-H265 WeakPolarHBondContact CD-ND1 3.46Å; K223-H265 WeakPolarHBondContact CE-CE1 3.3Å; K223-H265 WeakPolarHBondContact CE-ND1 3.3Å; V227-H265 HydrophobicContact CG2-CB 4.01Å; R228-H265 HydrophobicContact CB-CB 4.31Å; R228-H265 WeakPolarHBondContact CD-CD2 3.46Å; G263-H265 VanDerWaalsContact C-N 3.32Å; G263-H265 PolarHBondContact O-N 2.94Å; G263-H265 VanDerWaalsContact O-N 3.13Å; H265-A269 VanDerWaalsContact O-CB 3.3Å; H265-A269 WeakPolarHBondContact O-CB 3.33Å; H265-A269 PolarHBondContact O-N 2.67Å; H265-F308 AromaticContact CE1-CD1 3.75Å; H265-F308 AromaticContact CE1-CE1 3.66Å; H265-F308 AromaticContact NE2-CE1 3.82Å
266	M	98.7	Very high	97.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.3	-45.4	173.7	-52.1	-177.2	-168.3	0	0	109.8	K223 M226 V227 G263 Y264 A269 G270 A271 Y279 D283 I468	K223-M266 HydrophobicContact CB-CE 3.81Å; M226-M266 HydrophobicContact CE-CE 3.61Å; M226-M266 HydrophobicContact SD-CE 4.37Å; V227-M266 HydrophobicContact CG2-CG 4.12Å; G263-M266 WeakPolarHBondContact O-CA 3.23Å; G263-M266 VanDerWaalsContact O-CB 3.28Å; G263-M266 WeakPolarHBondContact O-CB 3.47Å; G263-M266 PolarHBondContact O-N 3.27Å; Y264-M266 VanDerWaalsContact C-N 3.25Å; Y264-M266 PolarHBondContact O-N 2.92Å; M266-A269 PolarHBondContact O-N 3.13Å; M266-G270 PolarHBondContact O-N 2.71Å; M266-G270 VanDerWaalsContact O-N 3.09Å; M266-A271 VanDerWaalsContact C-CB 3.44Å; M266-A271 HydrophobicContact CB-CB 3.91Å; M266-A271 WeakPolarHBondContact O-CB 3.39Å; M266-A271 PolarHBondContact O-N 3.03Å; M266-Y279 HydrophobicContact SD-CD2 4.48Å; M266-D283 VanDerWaalsContact CE-OD2 3.23Å; M266-D283 WeakPolarHBondContact CE-OD2 3.3Å; M266-I468 HydrophobicContact CB-CD1 4.11Å; M266-I468 HydrophobicContact CG-CD1 4.38Å
267	Q	98.7	Very high	97.9	Very high	11 Å²	11	10.1 Å²	10.1	5%	0.051	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-44	175.6	-171.7	174	23.2	0	0	111.7	G263 Y264 A269 G270 E276 G310 E318	G263-Q267 PolarHBondContact O-N 3.03Å; G263-Q267 VanDerWaalsContact O-N 3.17Å; Y264-Q267 WeakPolarHBondContact O-CB 3.36Å; Y264-Q267 PolarHBondContact O-N 3.41Å; Y264-Q267 VanDerWaalsContact O-N 3.11Å; Q267-A269 VanDerWaalsContact C-N 3.28Å; Q267-A269 PolarHBondContact O-N 3.21Å; Q267-G270 WeakPolarHBondContact O-CA 3.32Å; Q267-G270 PolarHBondContact O-N 3.4Å; Q267-E276 PolarHBondContact OE1-OE2 3.3Å; Q267-G310 PolarHBondContact OE1-O 3.13Å; Q267-E318 PolarHBondContact NE2-OE1 2.97Å
268	E	97.9	Very high	98.2	Very high	35 Å²	35	8.4 Å²	8.4	16%	0.164	5%	0.046	C	C	.	.	H	α-helix	trans	-62.4	-34.1	175.9	-64.6	-59.8	99.7	0	0	112.5	Y264 G270 S354 G355 W356 R629	Y264-E268 HydrophobicContact CD1-CG 4.07Å; Y264-E268 HydrophobicContact CD2-CG 4.36Å; Y264-E268 HydrophobicContact CE1-CG 3.59Å; Y264-E268 HydrophobicContact CE2-CG 3.9Å; Y264-E268 HydrophobicContact CG-CG 4.41Å; Y264-E268 VanDerWaalsContact CZ-CG 3.48Å; Y264-E268 WeakPolarHBondContact O-CG 3.21Å; Y264-E268 PolarHBondContact O-N 3.42Å; Y264-E268 PolarHBondContact OH-OE2 3.2Å; E268-G270 VanDerWaalsContact C-N 3.28Å; E268-G270 PolarHBondContact O-N 3.04Å; E268-S354 VanDerWaalsContact OE1-CA 3.3Å; E268-S354 WeakPolarHBondContact OE1-CA 3.39Å; E268-S354 VanDerWaalsContact OE1-CB 3.3Å; E268-S354 WeakPolarHBondContact OE1-CB 3.42Å; E268-S354 PolarHBondContact OE1-OG 2.98Å; E268-G355 PolarHBondContact OE1-N 3.31Å; E268-G355 VanDerWaalsContact OE2-CA 3.23Å; E268-G355 WeakPolarHBondContact OE2-CA 3.48Å; E268-G355 PolarHBondContact OE2-N 3.45Å; E268-W356 PolarHBondContact OE2-N 2.88Å; E268-R629 VanDerWaalsContact O-CD 3.25Å; E268-R629 WeakPolarHBondContact O-CD 3.45Å; E268-R629 PolarHBondContact O-NH1 2.73Å
269	A	98.2	Very high	98.4	Very high	13 Å²	13	8.6 Å²	8.6	11%	0.107	5%	0.046	C	C	.	.	H	α-helix	trans	-74.8	-13.4	172.4	0	0	0	0	0	114	V227 H265 M266 Q267 I468 A472 R629	V227-A269 HydrophobicContact CB-CB 3.67Å; V227-A269 HydrophobicContact CG1-CB 3.48Å; V227-A269 VanDerWaalsContact CG1-CB 3.48Å; H265-A269 VanDerWaalsContact O-CB 3.3Å; H265-A269 WeakPolarHBondContact O-CB 3.33Å; H265-A269 PolarHBondContact O-N 2.67Å; M266-A269 PolarHBondContact O-N 3.13Å; Q267-A269 VanDerWaalsContact C-N 3.28Å; Q267-A269 PolarHBondContact O-N 3.21Å; A269-I468 HydrophobicContact CB-CG2 3.8Å; A269-A472 WeakPolarHBondContact O-CB 3.33Å; A269-R629 VanDerWaalsContact O-CD 3.27Å; A269-R629 WeakPolarHBondContact O-CD 3.44Å; A269-R629 WeakPolarHBondContact O-CG 3.41Å
270	G	98.3	Very high	98.5	Very high	4 Å²	4	8.6 Å²	8.6	4%	0.041	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.1	7.7	172.2	0	0	0	0	0	115.7	M266 Q267 E268 C471	M266-G270 PolarHBondContact O-N 2.71Å; M266-G270 VanDerWaalsContact O-N 3.09Å; Q267-G270 WeakPolarHBondContact O-CA 3.32Å; Q267-G270 PolarHBondContact O-N 3.4Å; E268-G270 VanDerWaalsContact C-N 3.28Å; E268-G270 PolarHBondContact O-N 3.04Å; G270-C471 WeakPolarHBondContact O-CB 3.47Å
271	A	98.7	Very high	98.6	Very high	3 Å²	3	8 Å²	8	3%	0.025	4%	0.042	C	C	.	.			trans	-60.1	137.6	171.5	0	0	0	0	0	110.5	M266 L275 E276 I468	M266-A271 VanDerWaalsContact C-CB 3.44Å; M266-A271 HydrophobicContact CB-CB 3.91Å; M266-A271 WeakPolarHBondContact O-CB 3.39Å; M266-A271 PolarHBondContact O-N 3.03Å; A271-L275 HydrophobicContact CB-CB 3.97Å; A271-E276 HydrophobicContact CB-CB 4.46Å; A271-I468 HydrophobicContact CB-CD1 4.43Å; A271-I468 HydrophobicContact CB-CG1 4Å; A271-I468 HydrophobicContact CB-CG2 4.4Å
272	D	98.7	Very high	98.6	Very high	23 Å²	23	8 Å²	8	12%	0.123	4%	0.042	C	C	.	.			trans	-75.8	172.9	163.9	62.7	72.3	0	0	0	111.1	E65 I274 L275 E276 C471	E65-D272 HydrophobicContact CG-CB 4.08Å; D272-I274 PolarHBondContact O-N 3.46Å; D272-I274 VanDerWaalsContact O-N 3.15Å; D272-I274 WeakPolarHBondContact OD1-CA 3.47Å; D272-I274 WeakPolarHBondContact OD1-CB 3.49Å; D272-I274 PolarHBondContact OD1-N 3.29Å; D272-L275 PolarHBondContact O-N 3.25Å; D272-L275 PolarHBondContact OD1-N 3.3Å; D272-L275 WeakPolarHBondContact OD2-CD1 3.32Å; D272-L275 WeakPolarHBondContact OD2-CG 3.23Å; D272-E276 WeakPolarHBondContact O-CB 3.22Å; D272-E276 PolarHBondContact O-N 3.34Å; D272-C471 PolarHBondContact OD2-SG 2.92Å
273	A	98.8	Very high	98.6	Very high	2 Å²	2	8 Å²	8	2%	0.017	4%	0.042	C	C	.	.	H	α-helix	trans	-61.3	-23.4	-175.7	0	0	0	0	0	114.3	E65 L277 M317 K321	E65-A273 HydrophobicContact CG-CB 4.04Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 PolarHBondContact O-N 3.24Å; A273-M317 HydrophobicContact CB-CG 3.63Å; A273-K321 HydrophobicContact CB-CB 4.49Å; A273-K321 HydrophobicContact CB-CD 3.9Å; A273-K321 HydrophobicContact CB-CG 4.37Å
274	I	98.8	Very high	98.6	Very high	7 Å²	7	8 Å²	8	4%	0.036	4%	0.042	C	C	.	.	H	α-helix	trans	-84.1	-43.9	-179.8	-48.5	-55.2	0	0	0	110.2	E65 I67 D272 L277 A278 V438 A441 A442 L445	E65-I274 HydrophobicContact CB-CD1 4.29Å; E65-I274 HydrophobicContact CB-CG1 3.64Å; E65-I274 HydrophobicContact CG-CD1 4.39Å; E65-I274 HydrophobicContact CG-CG1 3.93Å; I67-I274 HydrophobicContact CD1-CD1 3.81Å; D272-I274 PolarHBondContact O-N 3.46Å; D272-I274 VanDerWaalsContact O-N 3.15Å; D272-I274 WeakPolarHBondContact OD1-CA 3.47Å; D272-I274 WeakPolarHBondContact OD1-CB 3.49Å; D272-I274 PolarHBondContact OD1-N 3.29Å; I274-L277 PolarHBondContact O-N 3.25Å; I274-A278 WeakPolarHBondContact O-CB 3.47Å; I274-A278 PolarHBondContact O-N 2.96Å; I274-V438 HydrophobicContact CD1-CB 4.14Å; I274-V438 HydrophobicContact CD1-CG1 3.86Å; I274-V438 HydrophobicContact CD1-CG2 3.98Å; I274-A441 HydrophobicContact CD1-CB 4.21Å; I274-A441 HydrophobicContact CG1-CB 4.41Å; I274-A441 HydrophobicContact CG2-CB 3.79Å; I274-A442 HydrophobicContact CG2-CB 4.26Å; I274-L445 HydrophobicContact CG2-CD1 3.93Å
275	L	98.8	Very high	98.6	Very high	14 Å²	14	6.9 Å²	6.9	7%	0.073	4%	0.037	C	C	.	.	H	α-helix	trans	-61.1	-48.1	173.2	-67.4	-173.7	0	0	0	111	A271 D272 L277 A278 Y279 L445 R467 C471	A271-L275 HydrophobicContact CB-CB 3.97Å; D272-L275 PolarHBondContact O-N 3.25Å; D272-L275 PolarHBondContact OD1-N 3.3Å; D272-L275 WeakPolarHBondContact OD2-CD1 3.32Å; D272-L275 WeakPolarHBondContact OD2-CG 3.23Å; L275-L277 PolarHBondContact O-N 3.01Å; L275-A278 PolarHBondContact O-N 3.05Å; L275-Y279 HydrophobicContact CB-CD2 4.37Å; L275-Y279 HydrophobicContact CB-CE2 4.2Å; L275-Y279 HydrophobicContact CD2-CE1 4.48Å; L275-Y279 HydrophobicContact CD2-CE2 4.01Å; L275-Y279 VanDerWaalsContact O-CB 3.27Å; L275-Y279 WeakPolarHBondContact O-CB 3.28Å; L275-Y279 VanDerWaalsContact O-CG 3.27Å; L275-Y279 PolarHBondContact O-N 2.95Å; L275-L445 HydrophobicContact CD2-CD1 3.85Å; L275-R467 HydrophobicContact CD1-CB 4.12Å; L275-R467 HydrophobicContact CD2-CB 4.4Å; L275-C471 HydrophobicContact CD1-CB 4.34Å
276	E	98.9	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.5	-49.4	176.1	-175.9	-171.8	172.8	0	0	111.1	G263 Q267 A271 D272 T280 W309 G310 K321	G263-E276 WeakPolarHBondContact O-CG 3.16Å; Q267-E276 PolarHBondContact OE1-OE2 3.3Å; A271-E276 HydrophobicContact CB-CB 4.46Å; D272-E276 WeakPolarHBondContact O-CB 3.22Å; D272-E276 PolarHBondContact O-N 3.34Å; E276-T280 WeakPolarHBondContact O-CB 3.3Å; E276-T280 PolarHBondContact O-N 3.01Å; E276-T280 VanDerWaalsContact O-N 3.07Å; E276-T280 PolarHBondContact O-OG1 3.01Å; E276-W309 HydrophobicContact CG-CE3 4.1Å; E276-W309 HydrophobicContact CG-CZ3 4.2Å; E276-G310 PolarHBondContact OE1-N 3.39Å; E276-K321 IonicContact OE1-NZ 3.14Å; E276-K321 PolarHBondContact OE1-NZ 2.78Å; E276-K321 WeakPolarHBondContact OE2-CE 3.44Å; E276-K321 IonicContact OE2-NZ 2.83Å; E276-K321 PolarHBondContact OE2-NZ 3.17Å
277	L	98.8	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.3	-48.5	-178.6	-175.1	57	0	0	0	112.3	A273 I274 L275 L281 W309 K321 A324 V438 A442	A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 PolarHBondContact O-N 3.24Å; I274-L277 PolarHBondContact O-N 3.25Å; L275-L277 PolarHBondContact O-N 3.01Å; L277-L281 HydrophobicContact CD1-CD1 4.03Å; L277-L281 HydrophobicContact CD1-CG 4.16Å; L277-L281 HydrophobicContact CG-CD1 4.47Å; L277-L281 WeakPolarHBondContact O-CB 3.19Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.49Å; L277-L281 PolarHBondContact O-N 3.35Å; L277-L281 VanDerWaalsContact O-N 3.12Å; L277-W309 HydrophobicContact CD1-CH2 3.59Å; L277-W309 HydrophobicContact CD1-CZ2 4.02Å; L277-W309 HydrophobicContact CD1-CZ3 4.23Å; L277-K321 HydrophobicContact CB-CG 4.29Å; L277-K321 HydrophobicContact CD2-CG 4.48Å; L277-A324 HydrophobicContact CD2-CB 4.14Å; L277-V438 HydrophobicContact CD2-CG1 3.67Å; L277-A442 HydrophobicContact CB-CB 4.19Å; L277-A442 HydrophobicContact CD2-CB 3.72Å; L277-A442 HydrophobicContact CG-CB 3.88Å
278	A	98.8	Very high	98.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.7	-49.4	-177.1	0	0	0	0	0	111.9	I274 L275 L281 A282 A442 L445 I446	I274-A278 WeakPolarHBondContact O-CB 3.47Å; I274-A278 PolarHBondContact O-N 2.96Å; L275-A278 PolarHBondContact O-N 3.05Å; A278-L281 PolarHBondContact O-N 3.2Å; A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.14Å; A278-A282 PolarHBondContact O-N 2.89Å; A278-A442 HydrophobicContact CB-CB 4.33Å; A278-L445 HydrophobicContact CB-CB 3.66Å; A278-L445 HydrophobicContact CB-CD1 3.99Å; A278-L445 HydrophobicContact CB-CG 4.45Å; A278-I446 HydrophobicContact CB-CG1 4.06Å; A278-I446 WeakPolarHBondContact O-CG1 3.31Å
279	Y	98.8	Very high	98.4	Very high	12 Å²	12	7.9 Å²	7.9	5%	0.047	4%	0.039	C	C	.	.	H	α-helix	trans	-68.8	-41.7	-176.4	-64.5	-14.1	0	0	0	111.7	M266 L275 L281 A282 D283 I449 M455 P464 R467 I468	M266-Y279 HydrophobicContact SD-CD2 4.48Å; L275-Y279 HydrophobicContact CB-CD2 4.37Å; L275-Y279 HydrophobicContact CB-CE2 4.2Å; L275-Y279 HydrophobicContact CD2-CE1 4.48Å; L275-Y279 HydrophobicContact CD2-CE2 4.01Å; L275-Y279 VanDerWaalsContact O-CB 3.27Å; L275-Y279 WeakPolarHBondContact O-CB 3.28Å; L275-Y279 VanDerWaalsContact O-CG 3.27Å; L275-Y279 PolarHBondContact O-N 2.95Å; Y279-L281 PolarHBondContact O-N 3.32Å; Y279-A282 PolarHBondContact O-N 2.86Å; Y279-D283 WeakPolarHBondContact O-CB 3.43Å; Y279-D283 PolarHBondContact O-N 3.27Å; Y279-I449 HydrophobicContact CD1-CD1 3.61Å; Y279-I449 HydrophobicContact CE1-CD1 3.8Å; Y279-M455 HydrophobicContact CD1-CE 3.81Å; Y279-M455 HydrophobicContact CD1-SD 4.48Å; Y279-M455 HydrophobicContact CD2-CE 4.44Å; Y279-M455 HydrophobicContact CG-CE 3.7Å; Y279-P464 HydrophobicContact CD2-CB 3.93Å; Y279-P464 HydrophobicContact CE1-CB 4.4Å; Y279-P464 HydrophobicContact CE2-CB 3.64Å; Y279-P464 HydrophobicContact CG-CB 4.42Å; Y279-R467 WeakPolarHBondContact OH-CB 3.47Å; Y279-R467 WeakPolarHBondContact OH-CG 3.27Å; Y279-I468 HydrophobicContact CD2-CD1 4.12Å; Y279-I468 HydrophobicContact CD2-CG1 4.38Å; Y279-I468 HydrophobicContact CE2-CD1 4.29Å; Y279-I468 HydrophobicContact CE2-CG1 4.14Å
280	T	98.9	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.6	-39.7	176.8	-52	0	0	0	0	112.4	I261 G263 E276 G284 F307 W309	I261-T280 HydrophobicContact CB-CG2 4.47Å; I261-T280 HydrophobicContact CG2-CG2 3.82Å; I261-T280 WeakPolarHBondContact CG2-O 3.18Å; I261-T280 WeakPolarHBondContact O-CG2 3.35Å; G263-T280 WeakPolarHBondContact CA-OG1 3.36Å; G263-T280 PolarHBondContact N-OG1 3.12Å; E276-T280 WeakPolarHBondContact O-CB 3.3Å; E276-T280 PolarHBondContact O-N 3.01Å; E276-T280 VanDerWaalsContact O-N 3.07Å; E276-T280 PolarHBondContact O-OG1 3.01Å; T280-G284 PolarHBondContact O-N 2.93Å; T280-G284 VanDerWaalsContact O-N 3.08Å; T280-F307 HydrophobicContact CG2-CD1 3.98Å; T280-F307 HydrophobicContact CG2-CE1 4.42Å; T280-W309 VanDerWaalsContact CB-CZ3 3.48Å; T280-W309 HydrophobicContact CG2-CE3 4.4Å; T280-W309 HydrophobicContact CG2-CH2 3.73Å; T280-W309 HydrophobicContact CG2-CZ3 3.6Å
281	L	98.8	Very high	98	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-72.1	-35.7	176.1	-65.4	-170	0	0	0	111.8	L277 A278 Y279 G284 L285 F307 W309 L328 W329 L332 L347 I446	L277-L281 HydrophobicContact CD1-CD1 4.03Å; L277-L281 HydrophobicContact CD1-CG 4.16Å; L277-L281 HydrophobicContact CG-CD1 4.47Å; L277-L281 WeakPolarHBondContact O-CB 3.19Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.49Å; L277-L281 PolarHBondContact O-N 3.35Å; L277-L281 VanDerWaalsContact O-N 3.12Å; A278-L281 PolarHBondContact O-N 3.2Å; Y279-L281 PolarHBondContact O-N 3.32Å; L281-G284 CarbonylContact O-C 3.54Å; L281-G284 WeakPolarHBondContact O-CA 3.36Å; L281-G284 PolarHBondContact O-N 3.22Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 2.85Å; L281-F307 HydrophobicContact CD2-CD1 4.21Å; L281-F307 HydrophobicContact CD2-CE1 3.57Å; L281-F307 HydrophobicContact CD2-CZ 4.15Å; L281-W309 HydrophobicContact CD2-CH2 4.22Å; L281-W309 HydrophobicContact CD2-CZ2 4.41Å; L281-L328 HydrophobicContact CD1-CB 3.8Å; L281-L328 HydrophobicContact CD1-CD2 3.79Å; L281-L328 HydrophobicContact CD1-CG 3.62Å; L281-W329 HydrophobicContact CD2-CB 4.24Å; L281-W329 HydrophobicContact CD2-CE3 3.98Å; L281-L332 HydrophobicContact CB-CD1 4.45Å; L281-L332 HydrophobicContact CD1-CD1 4.37Å; L281-L347 HydrophobicContact CD2-CD1 3.85Å; L281-I446 HydrophobicContact CB-CD1 3.78Å; L281-I446 HydrophobicContact CD1-CD1 4.25Å
282	A	98.8	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66	-41.1	175	0	0	0	0	0	112.5	A278 Y279 G284 L285 E286 I449 M455	A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.14Å; A278-A282 PolarHBondContact O-N 2.89Å; Y279-A282 PolarHBondContact O-N 2.86Å; A282-G284 VanDerWaalsContact C-N 3.27Å; A282-G284 PolarHBondContact O-N 3.49Å; A282-L285 WeakPolarHBondContact O-CB 3.45Å; A282-L285 PolarHBondContact O-N 3.39Å; A282-L285 VanDerWaalsContact O-N 3.11Å; A282-E286 PolarHBondContact O-N 3.04Å; A282-I449 HydrophobicContact CB-CD1 3.91Å; A282-I449 HydrophobicContact CB-CG2 4Å; A282-M455 HydrophobicContact CB-CB 4.01Å; A282-M455 HydrophobicContact CB-CG 4.01Å; A282-M455 HydrophobicContact CB-SD 4.03Å
283	D	98.6	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.3	-45.2	167.8	-76.1	-20.5	0	0	0	110.4	L222 M226 I261 M266 Y279 L285 E286 Y287 M455	L222-D283 WeakPolarHBondContact CB-OD1 3.4Å; L222-D283 HydrophobicContact CD1-CB 4.12Å; L222-D283 VanDerWaalsContact CD1-OD1 3.3Å; L222-D283 WeakPolarHBondContact CD1-OD1 3.44Å; M226-D283 WeakPolarHBondContact CE-OD1 3.28Å; M226-D283 WeakPolarHBondContact CE-OD2 3.44Å; I261-D283 HydrophobicContact CG2-CB 4.08Å; M266-D283 VanDerWaalsContact CE-OD2 3.23Å; M266-D283 WeakPolarHBondContact CE-OD2 3.3Å; Y279-D283 WeakPolarHBondContact O-CB 3.43Å; Y279-D283 PolarHBondContact O-N 3.27Å; D283-L285 VanDerWaalsContact C-N 3.29Å; D283-L285 PolarHBondContact O-N 3.45Å; D283-E286 WeakPolarHBondContact O-CB 3.41Å; D283-E286 PolarHBondContact O-N 3.4Å; D283-E286 VanDerWaalsContact O-N 3.1Å; D283-Y287 HydrophobicContact CB-CD2 4.32Å; D283-Y287 HydrophobicContact CB-CE2 4Å; D283-Y287 WeakPolarHBondContact O-CD2 3.48Å; D283-Y287 PolarHBondContact O-N 3.34Å; D283-M455 WeakPolarHBondContact OD1-CG 3.45Å
284	G	98.3	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-31.8	176	0	0	0	0	0	114.6	T280 L281 A282 S288	T280-G284 PolarHBondContact O-N 2.93Å; T280-G284 VanDerWaalsContact O-N 3.08Å; L281-G284 CarbonylContact O-C 3.54Å; L281-G284 WeakPolarHBondContact O-CA 3.36Å; L281-G284 PolarHBondContact O-N 3.22Å; A282-G284 VanDerWaalsContact C-N 3.27Å; A282-G284 PolarHBondContact O-N 3.49Å; G284-S288 WeakPolarHBondContact O-CB 3.4Å; G284-S288 PolarHBondContact O-N 2.64Å; G284-S288 PolarHBondContact O-OG 3.08Å
285	L	98.4	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.9	-39.4	172.9	-63	176.3	0	0	0	111.4	L281 A282 D283 S288 R289 W329 L332 I333 M336 F337 I446 E450	L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 2.85Å; A282-L285 WeakPolarHBondContact O-CB 3.45Å; A282-L285 PolarHBondContact O-N 3.39Å; A282-L285 VanDerWaalsContact O-N 3.11Å; D283-L285 VanDerWaalsContact C-N 3.29Å; D283-L285 PolarHBondContact O-N 3.45Å; L285-S288 WeakPolarHBondContact O-CB 3.08Å; L285-S288 PolarHBondContact O-N 3.02Å; L285-R289 WeakPolarHBondContact O-CG 3.24Å; L285-R289 PolarHBondContact O-N 3.27Å; L285-W329 HydrophobicContact CD2-CZ3 4.35Å; L285-L332 HydrophobicContact CD1-CD1 4.37Å; L285-L332 HydrophobicContact CD1-CD2 4.34Å; L285-L332 HydrophobicContact CD2-CB 4.1Å; L285-I333 HydrophobicContact CD2-CD1 4.01Å; L285-M336 HydrophobicContact CD1-CE 4.03Å; L285-M336 HydrophobicContact CD1-SD 3.76Å; L285-M336 HydrophobicContact CD2-CE 4.24Å; L285-M336 HydrophobicContact CD2-SD 3.82Å; L285-M336 HydrophobicContact CG-CE 4.49Å; L285-M336 HydrophobicContact CG-SD 4.36Å; L285-F337 HydrophobicContact CD2-CE2 3.95Å; L285-I446 HydrophobicContact CD1-CG2 4.03Å; L285-E450 HydrophobicContact CD1-CG 4.42Å
286	E	98	Very high	96.1	Very high	25 Å²	25	22 Å²	22	12%	0.117	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-47.7	174.6	-153.2	64.8	-103.1	0	0	111.4	L222 M239 A282 D283 S288 R289 T290 G454 M455 A456	L222-E286 HydrophobicContact CD1-CB 3.83Å; L222-E286 HydrophobicContact CD1-CG 4.03Å; M239-E286 HydrophobicContact CE-CG 4.29Å; A282-E286 PolarHBondContact O-N 3.04Å; D283-E286 WeakPolarHBondContact O-CB 3.41Å; D283-E286 PolarHBondContact O-N 3.4Å; D283-E286 VanDerWaalsContact O-N 3.1Å; E286-S288 PolarHBondContact O-N 3.15Å; E286-R289 VanDerWaalsContact CD-NH2 3.31Å; E286-R289 CarbonylContact O-C 3.56Å; E286-R289 WeakPolarHBondContact O-CA 3.35Å; E286-R289 WeakPolarHBondContact O-CB 3.12Å; E286-R289 PolarHBondContact O-N 3.4Å; E286-R289 IonicContact OE1-CZ 3.3Å; E286-R289 IonicContact OE1-NE 3.14Å; E286-R289 PolarHBondContact OE1-NE 3.1Å; E286-R289 IonicContact OE1-NH2 3.76Å; E286-R289 PolarHBondContact OE1-NH2 2.65Å; E286-R289 IonicContact OE2-CZ 3.91Å; E286-R289 IonicContact OE2-NE 3.81Å; E286-R289 IonicContact OE2-NH2 2.83Å; E286-R289 PolarHBondContact OE2-NH2 2.67Å; E286-T290 PolarHBondContact O-N 3.48Å; E286-T290 PolarHBondContact O-OG1 2.77Å; E286-T290 VanDerWaalsContact O-OG1 3.06Å; E286-G454 WeakPolarHBondContact OE2-CA 3.19Å; E286-M455 HydrophobicContact CB-CB 4.45Å; E286-M455 PolarHBondContact OE2-N 3.25Å; E286-A456 HydrophobicContact CG-CB 3.84Å; E286-A456 PolarHBondContact OE2-N 3.49Å
287	Y	97.7	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-31.1	172.7	-66.5	-49.1	0	0	0	113	D220 I221 L222 M239 I242 I259 I261 D283 T290 G291	D220-Y287 PolarHBondContact OD1-OH 3.37Å; D220-Y287 VanDerWaalsContact OD1-OH 3.08Å; I221-Y287 PolarHBondContact N-OH 2.94Å; L222-Y287 WeakPolarHBondContact CB-OH 3.25Å; L222-Y287 HydrophobicContact CD1-CE1 4.14Å; L222-Y287 HydrophobicContact CD1-CE2 4.08Å; L222-Y287 HydrophobicContact CG-CE1 4.35Å; L222-Y287 WeakPolarHBondContact CG-OH 3.46Å; L222-Y287 PolarHBondContact N-OH 3.41Å; M239-Y287 HydrophobicContact CE-CD1 3.66Å; M239-Y287 HydrophobicContact CE-CE1 3.52Å; M239-Y287 HydrophobicContact SD-CE1 3.83Å; I242-Y287 HydrophobicContact CD1-CD1 4.31Å; I242-Y287 HydrophobicContact CD1-CE1 3.51Å; I242-Y287 HydrophobicContact CG2-CD1 4.08Å; I242-Y287 HydrophobicContact CG2-CE1 4.32Å; I259-Y287 HydrophobicContact CD1-CD1 3.68Å; I259-Y287 HydrophobicContact CD1-CD2 3.37Å; I259-Y287 HydrophobicContact CD1-CE1 3.89Å; I259-Y287 HydrophobicContact CD1-CE2 3.54Å; I259-Y287 HydrophobicContact CD1-CG 3.45Å; I259-Y287 VanDerWaalsContact CD1-CG 3.45Å; I261-Y287 HydrophobicContact CG1-CD2 4.16Å; I261-Y287 HydrophobicContact CG2-CD2 4.39Å; D283-Y287 HydrophobicContact CB-CD2 4.32Å; D283-Y287 HydrophobicContact CB-CE2 4Å; D283-Y287 WeakPolarHBondContact O-CD2 3.48Å; D283-Y287 PolarHBondContact O-N 3.34Å; Y287-T290 PolarHBondContact O-N 2.98Å; Y287-G291 PolarHBondContact O-N 3.38Å
288	S	97.1	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.3	-40.6	172.4	-60.4	0	0	0	0	111.9	G284 L285 E286 G291 L292 F301 F337	G284-S288 WeakPolarHBondContact O-CB 3.4Å; G284-S288 PolarHBondContact O-N 2.64Å; G284-S288 PolarHBondContact O-OG 3.08Å; L285-S288 WeakPolarHBondContact O-CB 3.08Å; L285-S288 PolarHBondContact O-N 3.02Å; E286-S288 PolarHBondContact O-N 3.15Å; S288-G291 PolarHBondContact O-N 2.88Å; S288-L292 WeakPolarHBondContact O-CG 3.32Å; S288-L292 PolarHBondContact O-N 3.42Å; S288-L292 VanDerWaalsContact O-N 3.16Å; S288-F301 WeakPolarHBondContact O-CZ 3.11Å; S288-F337 VanDerWaalsContact CB-CE2 3.44Å
289	R	97.1	Very high	95.6	Very high	63 Å²	63	27.7 Å²	27.7	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-42.3	171.2	-69.9	-178.4	-79.7	-100.2	8	111.7	L285 E286 G291 L292 Q293 F337 E450	L285-R289 WeakPolarHBondContact O-CG 3.24Å; L285-R289 PolarHBondContact O-N 3.27Å; E286-R289 VanDerWaalsContact CD-NH2 3.31Å; E286-R289 CarbonylContact O-C 3.56Å; E286-R289 WeakPolarHBondContact O-CA 3.35Å; E286-R289 WeakPolarHBondContact O-CB 3.12Å; E286-R289 PolarHBondContact O-N 3.4Å; E286-R289 IonicContact OE1-CZ 3.3Å; E286-R289 IonicContact OE1-NE 3.14Å; E286-R289 PolarHBondContact OE1-NE 3.1Å; E286-R289 IonicContact OE1-NH2 3.76Å; E286-R289 PolarHBondContact OE1-NH2 2.65Å; E286-R289 IonicContact OE2-CZ 3.91Å; E286-R289 IonicContact OE2-NE 3.81Å; E286-R289 IonicContact OE2-NH2 2.83Å; E286-R289 PolarHBondContact OE2-NH2 2.67Å; R289-G291 PolarHBondContact O-N 2.86Å; R289-L292 PolarHBondContact O-N 3.45Å; R289-Q293 WeakPolarHBondContact O-CB 3.32Å; R289-Q293 PolarHBondContact O-N 3.36Å; R289-F337 HydrophobicContact CG-CE1 4.3Å; R289-F337 HydrophobicContact CG-CZ 4.22Å; R289-E450 IonicContact CZ-OE1 2.67Å; R289-E450 VanDerWaalsContact CZ-OE1 3.3Å; R289-E450 IonicContact CZ-OE2 3.46Å; R289-E450 VanDerWaalsContact NH1-CD 3.26Å; R289-E450 IonicContact NH1-OE1 3.53Å; R289-E450 PolarHBondContact NH1-OE1 2.99Å; R289-E450 IonicContact NH1-OE2 3.53Å; R289-E450 PolarHBondContact NH1-OE2 3.35Å; R289-E450 IonicContact NH2-OE1 2.64Å; R289-E450 PolarHBondContact NH2-OE1 3.11Å; R289-E450 IonicContact NH2-OE2 2.77Å
290	T	94.8	Very high	95.2	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.6	-52.7	0	0	0	0	112.5	M239 I242 A243 E286 Y287 L292 Q293 A294	M239-T290 HydrophobicContact CE-CG2 4.43Å; M239-T290 WeakPolarHBondContact CE-OG1 3.29Å; M239-T290 WeakPolarHBondContact O-CG2 3.3Å; I242-T290 HydrophobicContact CG2-CG2 4.43Å; A243-T290 HydrophobicContact CB-CG2 3.79Å; E286-T290 PolarHBondContact O-N 3.48Å; E286-T290 PolarHBondContact O-OG1 2.77Å; E286-T290 VanDerWaalsContact O-OG1 3.06Å; Y287-T290 PolarHBondContact O-N 2.98Å; T290-L292 PolarHBondContact O-N 3.04Å; T290-Q293 PolarHBondContact O-N 3.48Å; T290-A294 PolarHBondContact O-N 3.49Å
291	G	93.2	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-42.4	174.2	0	0	0	0	0	113	Y287 S288 R289 A294 L296	Y287-G291 PolarHBondContact O-N 3.38Å; S288-G291 PolarHBondContact O-N 2.88Å; R289-G291 PolarHBondContact O-N 2.86Å; G291-A294 WeakPolarHBondContact O-CB 3.31Å; G291-A294 PolarHBondContact O-N 3.37Å; G291-L296 WeakPolarHBondContact O-CB 3.14Å; G291-L296 PolarHBondContact O-N 2.93Å
292	L	95	Very high	94.2	Very high	73 Å²	73	33 Å²	33	38%	0.382	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-38.4	173.8	-62.3	-179.2	0	0	0	112.5	S288 R289 T290 A294 G295 L296 F301 F337	S288-L292 WeakPolarHBondContact O-CG 3.32Å; S288-L292 PolarHBondContact O-N 3.42Å; S288-L292 VanDerWaalsContact O-N 3.16Å; R289-L292 PolarHBondContact O-N 3.45Å; T290-L292 PolarHBondContact O-N 3.04Å; L292-A294 VanDerWaalsContact C-N 3.27Å; L292-A294 PolarHBondContact O-N 3.36Å; L292-G295 PolarHBondContact O-N 2.64Å; L292-L296 WeakPolarHBondContact CA-O 3.38Å; L292-L296 VanDerWaalsContact CD2-O 3.28Å; L292-L296 WeakPolarHBondContact CD2-O 3.39Å; L292-F301 HydrophobicContact CD2-CE1 4.31Å; L292-F337 HydrophobicContact CD1-CD1 3.57Å; L292-F337 HydrophobicContact CD1-CE1 3.74Å
293	Q	89.5	Confident	93.9	Very high	168 Å²	168	34.1 Å²	34.1	79%	0.785	19%	0.191	S	C	*	.	H	α-helix	trans	-65.9	-29.8	175.8	-171	178.4	5.3	0	0	112.4	R289 T290 G295	R289-Q293 WeakPolarHBondContact O-CB 3.32Å; R289-Q293 PolarHBondContact O-N 3.36Å; T290-Q293 PolarHBondContact O-N 3.48Å; Q293-G295 PolarHBondContact O-N 3Å
294	A	86.4	Confident	93.5	Very high	27 Å²	27	38.1 Å²	38.1	22%	0.223	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	3.4	171.1	0	0	0	0	0	113.9	A243 T290 G291 L292 L296	A243-A294 HydrophobicContact CB-CB 4Å; T290-A294 PolarHBondContact O-N 3.49Å; G291-A294 WeakPolarHBondContact O-CB 3.31Å; G291-A294 PolarHBondContact O-N 3.37Å; L292-A294 VanDerWaalsContact C-N 3.27Å; L292-A294 PolarHBondContact O-N 3.36Å; A294-L296 VanDerWaalsContact C-N 3.33Å; A294-L296 PolarHBondContact O-N 3.07Å
295	G	90.3	Very high	93.3	Very high	65 Å²	65	38.3 Å²	38.3	67%	0.67	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	5.2	180	0	0	0	0	0	115	L292 Q293	L292-G295 PolarHBondContact O-N 2.64Å; Q293-G295 PolarHBondContact O-N 3Å
296	L	91.9	Very high	93.1	Very high	22 Å²	22	39 Å²	39	12%	0.115	21%	0.211	C	C	.	.			trans	-83.5	147.5	175.1	-53.7	178	0	0	0	110.5	F246 A250 G291 L292 A294 F301	F246-L296 HydrophobicContact CB-CD1 3.91Å; A250-L296 HydrophobicContact CB-CD1 4.11Å; A250-L296 HydrophobicContact CB-CD2 4.05Å; G291-L296 WeakPolarHBondContact O-CB 3.14Å; G291-L296 PolarHBondContact O-N 2.93Å; L292-L296 WeakPolarHBondContact CA-O 3.38Å; L292-L296 VanDerWaalsContact CD2-O 3.28Å; L292-L296 WeakPolarHBondContact CD2-O 3.39Å; A294-L296 VanDerWaalsContact C-N 3.33Å; A294-L296 PolarHBondContact O-N 3.07Å; L296-F301 HydrophobicContact CB-CD1 3.96Å; L296-F301 HydrophobicContact CD1-CB 4.11Å; L296-F301 HydrophobicContact CD1-CD1 4.47Å
297	T	94.9	Very high	93.1	Very high	74 Å²	74	37.8 Å²	37.8	45%	0.454	21%	0.206	S	C	.	.			trans	-81.1	155.7	166.8	66.3	0	0	0	0	111	D299 E300 F301	T297-D299 PolarHBondContact O-N 2.75Å; T297-D299 VanDerWaalsContact O-N 3.14Å; T297-E300 VanDerWaalsContact CB-OE2 3.29Å; T297-E300 WeakPolarHBondContact CB-OE2 3.13Å; T297-E300 WeakPolarHBondContact CG2-OE2 3Å; T297-E300 PolarHBondContact N-OE2 2.58Å; T297-E300 PolarHBondContact O-N 3.23Å; T297-E300 VanDerWaalsContact OG1-CD 3.27Å; T297-E300 WeakPolarHBondContact OG1-CG 3.48Å; T297-E300 PolarHBondContact OG1-OE2 3.49Å; T297-F301 WeakPolarHBondContact O-CD1 3.36Å
298	I	95.7	Very high	93.1	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-53.4	-36.5	177.6	-172.4	64.9	0	0	0	112.6	E300 F301 A302 I333 F337 P339	I298-E300 VanDerWaalsContact C-N 3.32Å; I298-E300 PolarHBondContact O-N 2.8Å; I298-F301 HydrophobicContact CD1-CE1 4.15Å; I298-F301 HydrophobicContact CD1-CE2 4.18Å; I298-F301 HydrophobicContact CD1-CZ 3.6Å; I298-A302 HydrophobicContact CD1-CB 3.98Å; I298-A302 HydrophobicContact CG1-CB 4.17Å; I298-A302 WeakPolarHBondContact O-CB 3.07Å; I298-A302 PolarHBondContact O-N 3.37Å; I298-I333 HydrophobicContact CD1-CG2 4.31Å; I298-I333 HydrophobicContact CG1-CG2 4.14Å; I298-F337 HydrophobicContact CB-CB 4.15Å; I298-F337 HydrophobicContact CD1-CB 4.15Å; I298-F337 HydrophobicContact CD1-CD2 4.15Å; I298-F337 HydrophobicContact CD1-CG 4.23Å; I298-F337 HydrophobicContact CG1-CB 3.86Å; I298-F337 HydrophobicContact CG1-CG 4.48Å; I298-F337 HydrophobicContact CG2-CB 4.36Å; I298-P339 HydrophobicContact CG1-CB 4.42Å; I298-P339 HydrophobicContact CG2-CB 3.82Å
299	D	95.2	Very high	93.2	Very high	36 Å²	36	38.1 Å²	38.1	19%	0.193	21%	0.207	C	C	.	.	H	α-helix	trans	-75.7	-15.3	-179.4	-68.2	-49.3	0	0	0	114.2	T297 P303 P339 K340 N341 S344	T297-D299 PolarHBondContact O-N 2.75Å; T297-D299 VanDerWaalsContact O-N 3.14Å; D299-P303 VanDerWaalsContact O-CD 3.28Å; D299-P303 WeakPolarHBondContact O-CD 3.21Å; D299-P303 WeakPolarHBondContact O-CG 3.43Å; D299-P339 VanDerWaalsContact OD1-CB 3.27Å; D299-P339 WeakPolarHBondContact OD1-CB 3.46Å; D299-K340 PolarHBondContact OD1-N 3.44Å; D299-K340 WeakPolarHBondContact OD2-CB 3.29Å; D299-K340 PolarHBondContact OD2-N 3.41Å; D299-N341 HydrophobicContact CB-CB 4.4Å; D299-N341 VanDerWaalsContact OD1-CB 3.23Å; D299-N341 WeakPolarHBondContact OD1-CB 3.49Å; D299-N341 PolarHBondContact OD1-N 3.29Å; D299-S344 WeakPolarHBondContact OD1-CB 3.15Å; D299-S344 PolarHBondContact OD1-OG 2.89Å
300	E	89.9	Confident	93.2	Very high	111 Å²	111	35.1 Å²	35.1	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-82.4	-37.9	177.1	-75.8	163.3	133.5	0	0	112.2	T297 I298	T297-E300 VanDerWaalsContact CB-OE2 3.29Å; T297-E300 WeakPolarHBondContact CB-OE2 3.13Å; T297-E300 WeakPolarHBondContact CG2-OE2 3Å; T297-E300 PolarHBondContact N-OE2 2.58Å; T297-E300 PolarHBondContact O-N 3.23Å; T297-E300 VanDerWaalsContact OG1-CD 3.27Å; T297-E300 WeakPolarHBondContact OG1-CG 3.48Å; T297-E300 PolarHBondContact OG1-OE2 3.49Å; I298-E300 VanDerWaalsContact C-N 3.32Å; I298-E300 PolarHBondContact O-N 2.8Å
301	F	87	Confident	93.4	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-108.1	-28.8	-178	77	-91.5	0	0	0	115.1	S288 L292 L296 T297 I298 P303 R304 L305	S288-F301 WeakPolarHBondContact O-CZ 3.11Å; L292-F301 HydrophobicContact CD2-CE1 4.31Å; L296-F301 HydrophobicContact CB-CD1 3.96Å; L296-F301 HydrophobicContact CD1-CB 4.11Å; L296-F301 HydrophobicContact CD1-CD1 4.47Å; T297-F301 WeakPolarHBondContact O-CD1 3.36Å; I298-F301 HydrophobicContact CD1-CE1 4.15Å; I298-F301 HydrophobicContact CD1-CE2 4.18Å; I298-F301 HydrophobicContact CD1-CZ 3.6Å; F301-P303 VanDerWaalsContact C-CD 3.44Å; F301-P303 VanDerWaalsContact C-N 3.3Å; F301-R304 WeakPolarHBondContact O-CA 3.4Å; F301-R304 WeakPolarHBondContact O-CB 3.32Å; F301-R304 PolarHBondContact O-N 2.86Å; F301-L305 HydrophobicContact CD2-CD1 4.26Å; F301-L305 HydrophobicContact CD2-CD2 4.06Å; F301-L305 HydrophobicContact CD2-CG 4.17Å; F301-L305 HydrophobicContact CE2-CD1 4.08Å; F301-L305 HydrophobicContact CE2-CD2 4.4Å; F301-L305 HydrophobicContact CE2-CG 4.47Å; F301-L305 PolarHBondContact O-N 3.01Å
302	A	91.3	Very high	93.7	Very high	2 Å²	2	35 Å²	35	2%	0.017	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.8	-33	179	0	0	0	0	0	114.3	I298 R304 L305 R348	I298-A302 HydrophobicContact CD1-CB 3.98Å; I298-A302 HydrophobicContact CG1-CB 4.17Å; I298-A302 WeakPolarHBondContact O-CB 3.07Å; I298-A302 PolarHBondContact O-N 3.37Å; A302-R304 PolarHBondContact O-N 2.79Å; A302-L305 HydrophobicContact CB-CD1 4.36Å; A302-L305 PolarHBondContact O-N 3.42Å; A302-R348 PolarHBondContact O-NH2 3.22Å
303	P	91.4	Very high	93.9	Very high	25 Å²	25	35.2 Å²	35.2	16%	0.162	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.9	-9.6	170.5	-24.2	36.7	0	0	0	115.5	D299 F301 R348	D299-P303 VanDerWaalsContact O-CD 3.28Å; D299-P303 WeakPolarHBondContact O-CD 3.21Å; D299-P303 WeakPolarHBondContact O-CG 3.43Å; F301-P303 VanDerWaalsContact C-CD 3.44Å; F301-P303 VanDerWaalsContact C-N 3.3Å; P303-R348 VanDerWaalsContact C-NH2 3.3Å; P303-R348 PolarHBondContact O-NH2 3.4Å
304	R	90.1	Very high	94.3	Very high	84 Å²	84	28.9 Å²	28.9	32%	0.317	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-105.2	-13.1	176.5	-59.6	-66.2	132	-135.3	4.4	113.9	P254 F256 N257 F301 A302	P254-R304 VanDerWaalsContact O-CZ 3.23Å; P254-R304 PolarHBondContact O-NE 3.38Å; P254-R304 PolarHBondContact O-NH2 3.32Å; F256-R304 WeakPolarHBondContact O-CD 3.36Å; N257-R304 WeakPolarHBondContact CA-O 3.48Å; N257-R304 VanDerWaalsContact CB-O 3.25Å; N257-R304 WeakPolarHBondContact CB-O 3.3Å; F301-R304 WeakPolarHBondContact O-CA 3.4Å; F301-R304 WeakPolarHBondContact O-CB 3.32Å; F301-R304 PolarHBondContact O-N 2.86Å; A302-R304 PolarHBondContact O-N 2.79Å
305	L	93.8	Very high	94.9	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	146.5	172.9	-61.3	178.3	0	0	0	110.7	I259 I261 F301 A302 W329 R348	I259-L305 HydrophobicContact CG2-CD2 3.29Å; I261-L305 HydrophobicContact CD1-CB 4.43Å; I261-L305 HydrophobicContact CD1-CD1 4.47Å; I261-L305 HydrophobicContact CD1-CD2 4.29Å; F301-L305 HydrophobicContact CD2-CD1 4.26Å; F301-L305 HydrophobicContact CD2-CD2 4.06Å; F301-L305 HydrophobicContact CD2-CG 4.17Å; F301-L305 HydrophobicContact CE2-CD1 4.08Å; F301-L305 HydrophobicContact CE2-CD2 4.4Å; F301-L305 HydrophobicContact CE2-CG 4.47Å; F301-L305 PolarHBondContact O-N 3.01Å; A302-L305 HydrophobicContact CB-CD1 4.36Å; A302-L305 PolarHBondContact O-N 3.42Å; L305-W329 HydrophobicContact CD1-CH2 4.1Å; L305-W329 HydrophobicContact CD1-CZ2 3.73Å; L305-R348 PolarHBondContact O-NE 2.91Å; L305-R348 PolarHBondContact O-NH2 2.92Å
306	S	94.6	Very high	95.3	Very high	13 Å²	13	31.1 Å²	31.1	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.5	169.7	66.4	0	0	0	0	109.2	I259 S260 I261	I259-S306 PolarHBondContact O-N 3.14Å; I259-S306 PolarHBondContact O-OG 3.28Å; S260-S306 CarbonylContact C-O 3.57Å; S260-S306 WeakPolarHBondContact CA-O 3.41Å; S260-S306 WeakPolarHBondContact CA-OG 3.39Å; S260-S306 WeakPolarHBondContact CB-OG 3.26Å; S260-S306 PolarHBondContact OG-OG 3.18Å; I261-S306 PolarHBondContact N-O 3.03Å
307	F	97.9	Very high	95.6	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	157.2	-179.5	-71.8	-99.2	0	0	0	110.3	I261 T280 L281 W309 W329 L347 R348 A349 H350	I261-F307 HydrophobicContact CB-CD1 3.87Å; I261-F307 HydrophobicContact CB-CE1 3.89Å; I261-F307 HydrophobicContact CB-CG 4.43Å; I261-F307 HydrophobicContact CB-CZ 4.48Å; I261-F307 HydrophobicContact CD1-CD1 4.43Å; I261-F307 HydrophobicContact CD1-CE1 3.8Å; I261-F307 HydrophobicContact CD1-CE2 3.95Å; I261-F307 HydrophobicContact CD1-CZ 3.54Å; I261-F307 HydrophobicContact CG1-CE1 4.46Å; I261-F307 HydrophobicContact CG2-CD1 4.25Å; I261-F307 HydrophobicContact CG2-CE1 4Å; I261-F307 CarbonylContact O-C 3.47Å; I261-F307 WeakPolarHBondContact O-CA 3.31Å; T280-F307 HydrophobicContact CG2-CD1 3.98Å; T280-F307 HydrophobicContact CG2-CE1 4.42Å; L281-F307 HydrophobicContact CD2-CD1 4.21Å; L281-F307 HydrophobicContact CD2-CE1 3.57Å; L281-F307 HydrophobicContact CD2-CZ 4.15Å; F307-W309 HydrophobicContact CD1-CH2 4.46Å; F307-W309 HydrophobicContact CD1-CZ2 4.19Å; F307-W329 HydrophobicContact CE1-CE3 4.42Å; F307-W329 HydrophobicContact CE1-CZ3 4.47Å; F307-W329 HydrophobicContact CE2-CD2 4.2Å; F307-W329 AromaticContact CE2-CE2 3.93Å; F307-W329 HydrophobicContact CE2-CH2 4.46Å; F307-W329 HydrophobicContact CE2-CZ2 4.08Å; F307-W329 AromaticContact CZ-CD2 3.74Å; F307-W329 HydrophobicContact CZ-CD2 3.74Å; F307-W329 AromaticContact CZ-CE2 3.79Å; F307-W329 AromaticContact CZ-CE3 3.72Å; F307-W329 HydrophobicContact CZ-CE3 3.72Å; F307-W329 HydrophobicContact CZ-CG 4.46Å; F307-W329 AromaticContact CZ-CH2 3.77Å; F307-W329 HydrophobicContact CZ-CH2 3.77Å; F307-W329 AromaticContact CZ-CZ2 3.82Å; F307-W329 HydrophobicContact CZ-CZ2 3.82Å; F307-W329 AromaticContact CZ-CZ3 3.75Å; F307-W329 HydrophobicContact CZ-CZ3 3.75Å; F307-L347 HydrophobicContact CB-CD2 3.89Å; F307-L347 HydrophobicContact CB-CG 4.35Å; F307-L347 HydrophobicContact CD1-CD1 4.37Å; F307-L347 HydrophobicContact CD1-CG 4.34Å; F307-L347 HydrophobicContact CD2-CB 4.43Å; F307-L347 HydrophobicContact CD2-CD1 4.37Å; F307-L347 HydrophobicContact CD2-CD2 3.93Å; F307-L347 HydrophobicContact CD2-CG 3.53Å; F307-L347 HydrophobicContact CE2-CB 4.46Å; F307-L347 HydrophobicContact CE2-CD1 4.47Å; F307-L347 HydrophobicContact CE2-CG 3.83Å; F307-L347 HydrophobicContact CG-CD1 4.3Å; F307-L347 HydrophobicContact CG-CD2 3.91Å; F307-L347 HydrophobicContact CG-CG 3.8Å; F307-L347 HydrophobicContact CZ-CG 4.36Å; F307-R348 PolarHBondContact N-O 3.44Å; F307-A349 CarbonylContact O-C 3.48Å; F307-A349 WeakPolarHBondContact O-CA 3.46Å; F307-H350 PolarHBondContact O-N 3.34Å
308	F	97.9	Very high	95.8	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	105.2	179.4	175.7	-147.1	0	0	0	111.3	I261 S262 G263 Y264 H265 H350 Q352	I261-F308 PolarHBondContact O-N 2.94Å; S262-F308 CarbonylContact C-O 3.6Å; S262-F308 WeakPolarHBondContact CA-O 3.27Å; G263-F308 PolarHBondContact N-O 3.38Å; Y264-F308 AromaticContact CD1-CE1 3.8Å; Y264-F308 HydrophobicContact CD1-CE1 3.8Å; Y264-F308 AromaticContact CD1-CZ 3.76Å; Y264-F308 HydrophobicContact CD1-CZ 3.76Å; Y264-F308 HydrophobicContact CD2-CE2 4.2Å; Y264-F308 AromaticContact CD2-CZ 3.89Å; Y264-F308 HydrophobicContact CD2-CZ 3.89Å; Y264-F308 HydrophobicContact CE1-CZ 4.5Å; Y264-F308 AromaticContact CG-CE1 3.72Å; Y264-F308 HydrophobicContact CG-CE1 3.72Å; Y264-F308 HydrophobicContact CG-CE2 4.04Å; Y264-F308 AromaticContact CG-CZ 3.44Å; Y264-F308 HydrophobicContact CG-CZ 3.44Å; Y264-F308 VanDerWaalsContact CG-CZ 3.44Å; Y264-F308 PolarHBondContact N-O 3.15Å; H265-F308 AromaticContact CE1-CD1 3.75Å; H265-F308 AromaticContact CE1-CE1 3.66Å; H265-F308 AromaticContact NE2-CE1 3.82Å; F308-H350 WeakPolarHBondContact CA-O 3.3Å; F308-H350 HydrophobicContact CD2-CB 4.05Å; F308-H350 AromaticContact CD2-CD2 3.38Å; F308-H350 WeakPolarHBondContact CD2-CD2 3.44Å; F308-H350 AromaticContact CD2-CG 3.93Å; F308-H350 AromaticContact CE2-CD2 3.39Å; F308-H350 WeakPolarHBondContact CE2-CD2 3.44Å; F308-H350 AromaticContact CE2-NE2 3.9Å; F308-Q352 HydrophobicContact CE2-CB 3.5Å; F308-Q352 VanDerWaalsContact CE2-CB 3.5Å; F308-Q352 HydrophobicContact CZ-CB 3.75Å
309	W	98.6	Very high	96	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.9	-178.9	-56.8	121.8	0	0	0	112.1	E276 L277 T280 L281 F307 L347 H350 C351 Q352	E276-W309 HydrophobicContact CG-CE3 4.1Å; E276-W309 HydrophobicContact CG-CZ3 4.2Å; L277-W309 HydrophobicContact CD1-CH2 3.59Å; L277-W309 HydrophobicContact CD1-CZ2 4.02Å; L277-W309 HydrophobicContact CD1-CZ3 4.23Å; T280-W309 VanDerWaalsContact CB-CZ3 3.48Å; T280-W309 HydrophobicContact CG2-CE3 4.4Å; T280-W309 HydrophobicContact CG2-CH2 3.73Å; T280-W309 HydrophobicContact CG2-CZ3 3.6Å; L281-W309 HydrophobicContact CD2-CH2 4.22Å; L281-W309 HydrophobicContact CD2-CZ2 4.41Å; F307-W309 HydrophobicContact CD1-CH2 4.46Å; F307-W309 HydrophobicContact CD1-CZ2 4.19Å; W309-L347 HydrophobicContact CZ2-CD1 3.99Å; W309-L347 HydrophobicContact CZ2-CD2 4.5Å; W309-H350 PolarHBondContact N-O 2.95Å; W309-C351 WeakPolarHBondContact O-CA 3.45Å; W309-Q352 PolarHBondContact O-N 3.33Å
310	G	98.4	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	161.4	156.9	0	0	0	0	0	111	Q267 E276 K321 Q352	Q267-G310 PolarHBondContact OE1-O 3.13Å; E276-G310 PolarHBondContact OE1-N 3.39Å; G310-K321 PolarHBondContact O-NZ 3.08Å; G310-Q352 CarbonylContact C-O 3.54Å; G310-Q352 WeakPolarHBondContact CA-O 3.1Å
311	I	98.9	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	104	174.9	-55.5	-72.2	0	0	0	107.6	E318 M322 C351 Q352 T353 S354 E373 A376 A377	I311-E318 HydrophobicContact CD1-CB 4.24Å; I311-E318 HydrophobicContact CG2-CB 4.08Å; I311-E318 HydrophobicContact CG2-CG 4.03Å; I311-M322 HydrophobicContact CD1-CG 4.29Å; I311-M322 HydrophobicContact CD1-SD 3.78Å; I311-C351 HydrophobicContact CG1-CB 3.87Å; I311-Q352 PolarHBondContact N-O 3.41Å; I311-T353 CarbonylContact O-C 3.52Å; I311-T353 WeakPolarHBondContact O-CA 3.45Å; I311-S354 PolarHBondContact O-N 3.27Å; I311-E373 HydrophobicContact CG2-CB 4.08Å; I311-E373 WeakPolarHBondContact CG2-O 3.44Å; I311-E373 WeakPolarHBondContact O-CG 3.42Å; I311-A376 HydrophobicContact CG2-CB 3.86Å; I311-A377 HydrophobicContact CD1-CB 4.3Å; I311-A377 HydrophobicContact CG1-CB 3.9Å; I311-A377 HydrophobicContact CG2-CB 4.44Å
312	G	98.6	Very high	97.2	Very high	5 Å²	5	18.9 Å²	18.9	5%	0.052	9%	0.088	C	C	.	.			trans	-98.2	-174.1	176	0	0	0	0	0	113.4	N314 E318 E373	G312-N314 PolarHBondContact O-N 3.04Å; G312-E318 PolarHBondContact N-OE1 3.37Å; G312-E318 WeakPolarHBondContact O-CG 3.28Å; G312-E373 WeakPolarHBondContact CA-OE1 3.39Å
313	M	98.8	Very high	97.5	Very high	77 Å²	77	18.8 Å²	18.8	38%	0.379	9%	0.087	S	C	.	.	S	Bend	trans	-66.3	-8.4	-172.5	-69.3	-63.4	-61.6	0	0	116.6	F315 R369 I372 E373	M313-F315 PolarHBondContact O-N 3.44Å; M313-R369 HydrophobicContact CE-CG 4.28Å; M313-R369 HydrophobicContact SD-CB 3.67Å; M313-R369 HydrophobicContact SD-CG 3.88Å; M313-I372 HydrophobicContact CE-CB 4.5Å; M313-I372 HydrophobicContact CE-CD1 3.99Å; M313-I372 HydrophobicContact CE-CG2 4.34Å; M313-E373 PolarHBondContact N-OE1 3.32Å; M313-E373 HydrophobicContact SD-CG 4.01Å
314	N	98.7	Very high	97.9	Very high	34 Å²	34	17.6 Å²	17.6	18%	0.182	8%	0.079	C	C	.	.			trans	-81.3	68.1	177.9	-168	-8.6	0	0	0	111.2	W61 G312 Y316 M317 E318	W61-N314 WeakPolarHBondContact CH2-OD1 3.28Å; G312-N314 PolarHBondContact O-N 3.04Å; N314-Y316 VanDerWaalsContact C-N 3.28Å; N314-Y316 PolarHBondContact O-N 2.92Å; N314-M317 HydrophobicContact CB-CB 4.01Å; N314-M317 VanDerWaalsContact ND2-CB 3.33Å; N314-M317 WeakPolarHBondContact ND2-CB 3.47Å; N314-M317 PolarHBondContact O-N 2.84Å; N314-E318 WeakPolarHBondContact O-CG 3.46Å; N314-E318 PolarHBondContact O-N 3.38Å
315	F	98.9	Very high	98.3	Very high	39 Å²	39	13.6 Å²	13.6	17%	0.171	6%	0.064	C	C	.	.	H	α-helix	trans	-43.4	-44.6	-170.4	177.4	-88.6	0	0	0	115	M313 I319 I372 M375 A376 F379 W425	M313-F315 PolarHBondContact O-N 3.44Å; F315-I319 HydrophobicContact CD1-CD1 3.88Å; F315-I319 HydrophobicContact CE1-CD1 3.46Å; F315-I319 VanDerWaalsContact CE1-CD1 3.46Å; F315-I319 HydrophobicContact CE2-CD1 4.24Å; F315-I319 HydrophobicContact CG-CD1 4.43Å; F315-I319 HydrophobicContact CZ-CD1 3.68Å; F315-I319 WeakPolarHBondContact O-CD1 3.49Å; F315-I319 VanDerWaalsContact O-CG1 3.31Å; F315-I319 WeakPolarHBondContact O-CG1 3.5Å; F315-I319 PolarHBondContact O-N 3.41Å; F315-I372 HydrophobicContact CB-CG2 4.31Å; F315-I372 HydrophobicContact CD2-CG2 4.04Å; F315-M375 HydrophobicContact CE2-CB 3.96Å; F315-A376 HydrophobicContact CD2-CB 3.73Å; F315-A376 HydrophobicContact CE2-CB 4.2Å; F315-A376 HydrophobicContact CG-CB 4.35Å; F315-F379 AromaticContact CE2-CD2 3.91Å; F315-F379 HydrophobicContact CE2-CD2 3.91Å; F315-F379 HydrophobicContact CE2-CE2 4.21Å; F315-F379 AromaticContact CZ-CD2 3.51Å; F315-F379 HydrophobicContact CZ-CD2 3.51Å; F315-F379 AromaticContact CZ-CE2 3.74Å; F315-F379 HydrophobicContact CZ-CE2 3.74Å; F315-W425 AromaticContact CE1-CZ2 3.91Å; F315-W425 HydrophobicContact CE1-CZ2 3.91Å; F315-W425 HydrophobicContact CZ-CZ2 4.39Å
316	Y	98.9	Very high	98.5	Very high	101 Å²	101	13.6 Å²	13.6	40%	0.396	6%	0.064	S	C	.	.	H	α-helix	trans	-72.8	-41	179.8	-58.4	-47.7	0	0	0	112.8	N314 E318 I319 A320 W425 M430 M431	N314-Y316 VanDerWaalsContact C-N 3.28Å; N314-Y316 PolarHBondContact O-N 2.92Å; Y316-E318 VanDerWaalsContact C-N 3.32Å; Y316-E318 PolarHBondContact O-N 3.32Å; Y316-I319 PolarHBondContact O-N 3.39Å; Y316-A320 WeakPolarHBondContact O-CB 3.34Å; Y316-A320 PolarHBondContact O-N 2.94Å; Y316-W425 HydrophobicContact CE1-CH2 4.02Å; Y316-M430 HydrophobicContact CD1-CE 3.47Å; Y316-M430 VanDerWaalsContact CD1-CE 3.47Å; Y316-M430 HydrophobicContact CD2-CE 3.83Å; Y316-M430 HydrophobicContact CE1-CE 3.81Å; Y316-M430 HydrophobicContact CE2-CE 4.13Å; Y316-M430 HydrophobicContact CG-CE 3.5Å; Y316-M430 VanDerWaalsContact CG-CE 3.5Å; Y316-M430 HydrophobicContact CG-SD 4.43Å; Y316-M431 HydrophobicContact CD1-CE 4Å
317	M	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-37.8	178.9	-167.3	65.2	72.5	0	0	111.3	T63 E65 I67 I69 A273 N314 A320 K321 L434 V438	T63-M317 HydrophobicContact CG2-CE 4.12Å; E65-M317 HydrophobicContact CB-CE 4.14Å; E65-M317 HydrophobicContact CG-CE 3.87Å; E65-M317 HydrophobicContact CG-CG 4.1Å; E65-M317 HydrophobicContact CG-SD 4.06Å; I67-M317 HydrophobicContact CB-CE 4.4Å; I67-M317 HydrophobicContact CD1-CE 4.35Å; I67-M317 HydrophobicContact CD1-SD 4.33Å; I69-M317 HydrophobicContact CD1-CE 4.15Å; A273-M317 HydrophobicContact CB-CG 3.63Å; N314-M317 HydrophobicContact CB-CB 4.01Å; N314-M317 VanDerWaalsContact ND2-CB 3.33Å; N314-M317 WeakPolarHBondContact ND2-CB 3.47Å; N314-M317 PolarHBondContact O-N 2.84Å; M317-A320 PolarHBondContact O-N 3.24Å; M317-K321 WeakPolarHBondContact O-CB 3.17Å; M317-K321 PolarHBondContact O-N 2.77Å; M317-L434 HydrophobicContact CE-CD1 3.92Å; M317-L434 HydrophobicContact SD-CD1 4.02Å; M317-L434 HydrophobicContact SD-CG 4.45Å; M317-V438 HydrophobicContact SD-CG2 3.47Å; M317-V438 WeakPolarHBondContact SD-CG2 3.36Å
318	E	98.9	Very high	98.8	Very high	4 Å²	4	13 Å²	13	2%	0.019	6%	0.059	C	C	.	.	H	α-helix	trans	-67.8	-41.3	178.9	-61.5	-64.6	-171.5	0	0	112.9	Q267 I311 G312 N314 Y316 A320 K321 M322 A376	Q267-E318 PolarHBondContact NE2-OE1 2.97Å; I311-E318 HydrophobicContact CD1-CB 4.24Å; I311-E318 HydrophobicContact CG2-CB 4.08Å; I311-E318 HydrophobicContact CG2-CG 4.03Å; G312-E318 PolarHBondContact N-OE1 3.37Å; G312-E318 WeakPolarHBondContact O-CG 3.28Å; N314-E318 WeakPolarHBondContact O-CG 3.46Å; N314-E318 PolarHBondContact O-N 3.38Å; Y316-E318 VanDerWaalsContact C-N 3.32Å; Y316-E318 PolarHBondContact O-N 3.32Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 2.78Å; E318-K321 PolarHBondContact O-N 2.67Å; E318-K321 IonicContact OE1-NZ 2.75Å; E318-K321 WeakPolarHBondContact OE2-CE 2.99Å; E318-K321 IonicContact OE2-NZ 3.63Å; E318-K321 PolarHBondContact OE2-NZ 3.11Å; E318-M322 WeakPolarHBondContact O-CG 3.47Å; E318-M322 PolarHBondContact O-N 3.3Å; E318-M322 VanDerWaalsContact O-N 3.14Å; E318-A376 HydrophobicContact CB-CB 4.13Å
319	I	98.9	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.5	-45.5	172.8	-64.1	165.6	0	0	0	109.7	F315 Y316 M322 R323 A376 F379 M431	F315-I319 HydrophobicContact CD1-CD1 3.88Å; F315-I319 HydrophobicContact CE1-CD1 3.46Å; F315-I319 VanDerWaalsContact CE1-CD1 3.46Å; F315-I319 HydrophobicContact CE2-CD1 4.24Å; F315-I319 HydrophobicContact CG-CD1 4.43Å; F315-I319 HydrophobicContact CZ-CD1 3.68Å; F315-I319 WeakPolarHBondContact O-CD1 3.49Å; F315-I319 VanDerWaalsContact O-CG1 3.31Å; F315-I319 WeakPolarHBondContact O-CG1 3.5Å; F315-I319 PolarHBondContact O-N 3.41Å; Y316-I319 PolarHBondContact O-N 3.39Å; I319-M322 PolarHBondContact O-N 3.17Å; I319-R323 VanDerWaalsContact O-CG 3.27Å; I319-R323 WeakPolarHBondContact O-CG 3.18Å; I319-R323 PolarHBondContact O-N 3.02Å; I319-R323 VanDerWaalsContact O-N 3.17Å; I319-A376 HydrophobicContact CG1-CB 4.28Å; I319-F379 HydrophobicContact CD1-CB 3.63Å; I319-F379 HydrophobicContact CD1-CD2 4.23Å; I319-F379 HydrophobicContact CD1-CG 4.3Å; I319-F379 HydrophobicContact CG1-CB 3.83Å; I319-M431 HydrophobicContact CB-CE 3.86Å; I319-M431 HydrophobicContact CB-SD 3.89Å; I319-M431 HydrophobicContact CD1-CE 4.11Å; I319-M431 HydrophobicContact CG2-CE 3.78Å; I319-M431 HydrophobicContact CG2-CG 4.2Å; I319-M431 HydrophobicContact CG2-SD 3.57Å; I319-M431 VanDerWaalsContact CG2-SD 3.57Å
320	A	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.9	-43.2	177.5	0	0	0	0	0	112.5	Y316 M317 E318 M322 R323 A324 M431 L434 V438	Y316-A320 WeakPolarHBondContact O-CB 3.34Å; Y316-A320 PolarHBondContact O-N 2.94Å; M317-A320 PolarHBondContact O-N 3.24Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 2.78Å; A320-M322 PolarHBondContact O-N 2.87Å; A320-R323 PolarHBondContact O-N 3.44Å; A320-A324 WeakPolarHBondContact O-CB 3.42Å; A320-A324 PolarHBondContact O-N 3.43Å; A320-M431 HydrophobicContact CB-SD 4.09Å; A320-L434 HydrophobicContact CB-CB 4.18Å; A320-L434 HydrophobicContact CB-CD2 3.91Å; A320-L434 HydrophobicContact CB-CG 3.62Å; A320-V438 HydrophobicContact CB-CG2 4.16Å
321	K	98.9	Very high	98.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-53.8	-50.7	176	-172.2	-176.3	79.7	-166.3	0	111.4	A273 E276 L277 G310 M317 E318 R323 A324 G325	A273-K321 HydrophobicContact CB-CB 4.49Å; A273-K321 HydrophobicContact CB-CD 3.9Å; A273-K321 HydrophobicContact CB-CG 4.37Å; E276-K321 IonicContact OE1-NZ 3.14Å; E276-K321 PolarHBondContact OE1-NZ 2.78Å; E276-K321 WeakPolarHBondContact OE2-CE 3.44Å; E276-K321 IonicContact OE2-NZ 2.83Å; E276-K321 PolarHBondContact OE2-NZ 3.17Å; L277-K321 HydrophobicContact CB-CG 4.29Å; L277-K321 HydrophobicContact CD2-CG 4.48Å; G310-K321 PolarHBondContact O-NZ 3.08Å; M317-K321 WeakPolarHBondContact O-CB 3.17Å; M317-K321 PolarHBondContact O-N 2.77Å; E318-K321 PolarHBondContact O-N 2.67Å; E318-K321 IonicContact OE1-NZ 2.75Å; E318-K321 WeakPolarHBondContact OE2-CE 2.99Å; E318-K321 IonicContact OE2-NZ 3.63Å; E318-K321 PolarHBondContact OE2-NZ 3.11Å; K321-R323 PolarHBondContact O-N 3.2Å; K321-A324 PolarHBondContact O-N 3.31Å; K321-G325 PolarHBondContact O-N 3.42Å
322	M	98.9	Very high	98.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-38.4	-179.4	-66.9	-168.2	69.3	0	0	113.2	I311 E318 I319 A320 R326 A349 C351 G380	I311-M322 HydrophobicContact CD1-CG 4.29Å; I311-M322 HydrophobicContact CD1-SD 3.78Å; E318-M322 WeakPolarHBondContact O-CG 3.47Å; E318-M322 PolarHBondContact O-N 3.3Å; E318-M322 VanDerWaalsContact O-N 3.14Å; I319-M322 PolarHBondContact O-N 3.17Å; A320-M322 PolarHBondContact O-N 2.87Å; M322-R326 PolarHBondContact O-N 3.17Å; M322-R326 PolarHBondContact O-NH1 3.15Å; M322-A349 HydrophobicContact CE-CB 4.32Å; M322-C351 WeakPolarHBondContact CE-SG 3.22Å; M322-G380 WeakPolarHBondContact CB-O 3.41Å
323	R	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.1	-47.2	177	-68.1	175	91.9	-108.9	3.6	111.3	T92 I319 A320 K321 R326 R327 D423 E432 T435	T92-R323 HydrophobicContact CG2-CB 3.9Å; I319-R323 VanDerWaalsContact O-CG 3.27Å; I319-R323 WeakPolarHBondContact O-CG 3.18Å; I319-R323 PolarHBondContact O-N 3.02Å; I319-R323 VanDerWaalsContact O-N 3.17Å; A320-R323 PolarHBondContact O-N 3.44Å; K321-R323 PolarHBondContact O-N 3.2Å; R323-R326 PolarHBondContact O-N 3.01Å; R323-R327 PolarHBondContact O-N 3.42Å; R323-D423 IonicContact CZ-OD1 2.79Å; R323-D423 IonicContact CZ-OD2 3.68Å; R323-D423 IonicContact NE-OD1 3.48Å; R323-D423 PolarHBondContact NE-OD1 3.4Å; R323-D423 IonicContact NE-OD2 3.51Å; R323-D423 IonicContact NH2-OD1 2.71Å; R323-D423 IonicContact NH2-OD2 3.9Å; R323-D423 PolarHBondContact NH2-OD2 2.92Å; R323-E432 IonicContact CZ-OE1 2.82Å; R323-E432 IonicContact CZ-OE2 3.66Å; R323-E432 IonicContact NH1-OE1 3.75Å; R323-E432 IonicContact NH1-OE2 2.97Å; R323-E432 PolarHBondContact NH1-OE2 3.03Å; R323-E432 VanDerWaalsContact NH2-CD 3.33Å; R323-E432 IonicContact NH2-OE1 3.14Å; R323-E432 PolarHBondContact NH2-OE1 3.1Å; R323-E432 IonicContact NH2-OE2 3.99Å; R323-E432 PolarHBondContact NH2-OE2 3.19Å; R323-T435 HydrophobicContact CB-CG2 3.67Å; R323-T435 PolarHBondContact NH1-OG1 3.18Å
324	A	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-43.1	178.1	0	0	0	0	0	111.6	L277 A320 K321 R326 R327 L328 T435 V438	L277-A324 HydrophobicContact CD2-CB 4.14Å; A320-A324 WeakPolarHBondContact O-CB 3.42Å; A320-A324 PolarHBondContact O-N 3.43Å; K321-A324 PolarHBondContact O-N 3.31Å; A324-R326 PolarHBondContact O-N 2.87Å; A324-R327 WeakPolarHBondContact O-CB 3.26Å; A324-R327 PolarHBondContact O-N 3.15Å; A324-L328 VanDerWaalsContact O-CB 3.28Å; A324-L328 WeakPolarHBondContact O-CB 3.29Å; A324-L328 PolarHBondContact O-N 2.94Å; A324-T435 HydrophobicContact CB-CG2 4.17Å; A324-V438 HydrophobicContact CB-CB 4.12Å; A324-V438 HydrophobicContact CB-CG1 3.72Å
325	G	98.8	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-41.1	179.9	0	0	0	0	0	114.3	K321 L328 W329 L347	K321-G325 PolarHBondContact O-N 3.42Å; G325-L328 PolarHBondContact O-N 2.93Å; G325-W329 VanDerWaalsContact O-CB 3.28Å; G325-W329 WeakPolarHBondContact O-CB 3.34Å; G325-W329 PolarHBondContact O-N 2.85Å; G325-L347 WeakPolarHBondContact O-CD1 3.4Å
326	R	98.9	Very high	98.7	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.015	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-46.9	174.4	-72.6	-173.1	-68.4	-91.6	5.4	111.8	P90 F91 T92 M322 R323 A324 A330 L347 G380	P90-R326 CarbonylContact O-C 3.39Å; F91-R326 HydrophobicContact CB-CB 4.43Å; F91-R326 WeakPolarHBondContact O-CB 3.34Å; F91-R326 WeakPolarHBondContact O-CD 3.21Å; F91-R326 PolarHBondContact O-NE 3.03Å; T92-R326 PolarHBondContact O-NE 2.95Å; T92-R326 PolarHBondContact O-NH2 3.18Å; M322-R326 PolarHBondContact O-N 3.17Å; M322-R326 PolarHBondContact O-NH1 3.15Å; R323-R326 PolarHBondContact O-N 3.01Å; A324-R326 PolarHBondContact O-N 2.87Å; R326-A330 WeakPolarHBondContact O-CB 3.46Å; R326-A330 PolarHBondContact O-N 2.83Å; R326-L347 HydrophobicContact CG-CB 4.11Å; R326-L347 HydrophobicContact CG-CD2 4.48Å; R326-G380 VanDerWaalsContact CZ-O 3.24Å; R326-G380 PolarHBondContact NH1-O 2.89Å; R326-G380 PolarHBondContact NH2-O 3.01Å
327	R	98.9	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-47.1	177.9	-173.9	-170.5	-76	167.2	-12	111.6	E84 P90 T92 R323 A324 A330 H331 N436 Y439	E84-R327 IonicContact OE1-CZ 2.87Å; E84-R327 IonicContact OE1-NE 2.71Å; E84-R327 PolarHBondContact OE1-NE 3.21Å; E84-R327 IonicContact OE1-NH2 3.22Å; E84-R327 PolarHBondContact OE1-NH2 3.08Å; P90-R327 HydrophobicContact CB-CG 3.99Å; P90-R327 HydrophobicContact CG-CG 3.91Å; P90-R327 WeakPolarHBondContact O-CA 3.48Å; T92-R327 PolarHBondContact OG1-NE 3.37Å; R323-R327 PolarHBondContact O-N 3.42Å; A324-R327 WeakPolarHBondContact O-CB 3.26Å; A324-R327 PolarHBondContact O-N 3.15Å; R327-A330 PolarHBondContact O-N 2.93Å; R327-H331 VanDerWaalsContact O-CG 3.27Å; R327-H331 PolarHBondContact O-N 3.49Å; R327-H331 VanDerWaalsContact O-N 3.09Å; R327-H331 PolarHBondContact O-ND1 2.72Å; R327-N436 PolarHBondContact NH1-OD1 3.49Å; R327-Y439 HydrophobicContact CB-CD2 4.08Å; R327-Y439 HydrophobicContact CB-CE2 4.28Å; R327-Y439 HydrophobicContact CG-CD2 3.87Å; R327-Y439 HydrophobicContact CG-CE2 3.75Å
328	L	98.7	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-47.6	-177.7	-172.7	48.3	0	0	0	111.4	L281 A324 G325 A330 H331 L332 Y439 A442 L443 I446	L281-L328 HydrophobicContact CD1-CB 3.8Å; L281-L328 HydrophobicContact CD1-CD2 3.79Å; L281-L328 HydrophobicContact CD1-CG 3.62Å; A324-L328 VanDerWaalsContact O-CB 3.28Å; A324-L328 WeakPolarHBondContact O-CB 3.29Å; A324-L328 PolarHBondContact O-N 2.94Å; G325-L328 PolarHBondContact O-N 2.93Å; L328-A330 PolarHBondContact O-N 2.96Å; L328-H331 PolarHBondContact O-N 3.16Å; L328-L332 HydrophobicContact CD1-CD1 3.96Å; L328-L332 HydrophobicContact CD1-CG 4.14Å; L328-L332 HydrophobicContact CG-CD1 3.89Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.26Å; L328-Y439 HydrophobicContact CB-CD2 3.81Å; L328-Y439 HydrophobicContact CB-CE2 3.86Å; L328-Y439 HydrophobicContact CD1-CD2 4.27Å; L328-Y439 HydrophobicContact CD1-CE2 3.83Å; L328-Y439 HydrophobicContact CG-CD2 4.49Å; L328-Y439 HydrophobicContact CG-CE2 4.41Å; L328-A442 HydrophobicContact CD2-CB 3.74Å; L328-L443 HydrophobicContact CD1-CB 3.84Å; L328-L443 HydrophobicContact CD1-CD1 3.85Å; L328-L443 HydrophobicContact CD1-CG 4.29Å; L328-I446 HydrophobicContact CD2-CD1 3.83Å; L328-I446 HydrophobicContact CG-CD1 4.15Å
329	W	98.8	Very high	98.5	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-46.1	174.8	-179.7	-104.8	0	0	0	113.1	L281 L285 L305 F307 G325 H331 L332 I333 L347	L281-W329 HydrophobicContact CD2-CB 4.24Å; L281-W329 HydrophobicContact CD2-CE3 3.98Å; L285-W329 HydrophobicContact CD2-CZ3 4.35Å; L305-W329 HydrophobicContact CD1-CH2 4.1Å; L305-W329 HydrophobicContact CD1-CZ2 3.73Å; F307-W329 HydrophobicContact CE1-CE3 4.42Å; F307-W329 HydrophobicContact CE1-CZ3 4.47Å; F307-W329 HydrophobicContact CE2-CD2 4.2Å; F307-W329 AromaticContact CE2-CE2 3.93Å; F307-W329 HydrophobicContact CE2-CH2 4.46Å; F307-W329 HydrophobicContact CE2-CZ2 4.08Å; F307-W329 AromaticContact CZ-CD2 3.74Å; F307-W329 HydrophobicContact CZ-CD2 3.74Å; F307-W329 AromaticContact CZ-CE2 3.79Å; F307-W329 AromaticContact CZ-CE3 3.72Å; F307-W329 HydrophobicContact CZ-CE3 3.72Å; F307-W329 HydrophobicContact CZ-CG 4.46Å; F307-W329 AromaticContact CZ-CH2 3.77Å; F307-W329 HydrophobicContact CZ-CH2 3.77Å; F307-W329 AromaticContact CZ-CZ2 3.82Å; F307-W329 HydrophobicContact CZ-CZ2 3.82Å; F307-W329 AromaticContact CZ-CZ3 3.75Å; F307-W329 HydrophobicContact CZ-CZ3 3.75Å; G325-W329 VanDerWaalsContact O-CB 3.28Å; G325-W329 WeakPolarHBondContact O-CB 3.34Å; G325-W329 PolarHBondContact O-N 2.85Å; W329-H331 VanDerWaalsContact C-N 3.32Å; W329-H331 PolarHBondContact O-N 3.31Å; W329-L332 PolarHBondContact O-N 2.99Å; W329-I333 HydrophobicContact CD2-CD1 4.36Å; W329-I333 HydrophobicContact CD2-CG1 3.75Å; W329-I333 VanDerWaalsContact CE2-CG1 3.46Å; W329-I333 HydrophobicContact CE3-CD1 4.24Å; W329-I333 HydrophobicContact CE3-CG1 4.07Å; W329-I333 HydrophobicContact CG-CG1 4.35Å; W329-I333 HydrophobicContact CH2-CD1 3.55Å; W329-I333 HydrophobicContact CH2-CG1 3.97Å; W329-I333 HydrophobicContact CZ2-CD1 3.62Å; W329-I333 HydrophobicContact CZ2-CG1 3.59Å; W329-I333 HydrophobicContact CZ3-CD1 3.85Å; W329-I333 HydrophobicContact CZ3-CG1 4.17Å; W329-I333 WeakPolarHBondContact O-CG1 3.29Å; W329-I333 PolarHBondContact O-N 3.45Å; W329-L347 HydrophobicContact CB-CB 4.11Å; W329-L347 HydrophobicContact CB-CD1 3.89Å; W329-L347 HydrophobicContact CG-CB 4.05Å; W329-L347 HydrophobicContact CG-CD1 4.32Å
330	A	98.7	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-41.5	178.2	0	0	0	0	0	112.1	P90 F91 R326 R327 L328 E334 L345	P90-A330 HydrophobicContact CB-CB 4.29Å; F91-A330 HydrophobicContact CD2-CB 4.01Å; F91-A330 HydrophobicContact CE2-CB 4.43Å; R326-A330 WeakPolarHBondContact O-CB 3.46Å; R326-A330 PolarHBondContact O-N 2.83Å; R327-A330 PolarHBondContact O-N 2.93Å; L328-A330 PolarHBondContact O-N 2.96Å; A330-E334 VanDerWaalsContact O-CB 3.25Å; A330-E334 WeakPolarHBondContact O-CB 3.49Å; A330-E334 PolarHBondContact O-N 3.02Å; A330-L345 HydrophobicContact CB-CB 4.26Å
331	H	98.6	Very high	98.2	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.255	17%	0.174	S	C	.	.	H	α-helix	trans	-69.2	-40.8	175.7	-66.1	165.5	0	0	0	112.9	P90 R327 L328 W329 K335 Y439	P90-H331 WeakPolarHBondContact CB-NE2 3.43Å; R327-H331 VanDerWaalsContact O-CG 3.27Å; R327-H331 PolarHBondContact O-N 3.49Å; R327-H331 VanDerWaalsContact O-N 3.09Å; R327-H331 PolarHBondContact O-ND1 2.72Å; L328-H331 PolarHBondContact O-N 3.16Å; W329-H331 VanDerWaalsContact C-N 3.32Å; W329-H331 PolarHBondContact O-N 3.31Å; H331-K335 WeakPolarHBondContact O-CB 3.15Å; H331-K335 PolarHBondContact O-N 2.84Å; H331-Y439 AromaticContact ND1-CE2 3.54Å; H331-Y439 AromaticContact ND1-CZ 3.53Å; H331-Y439 PolarHBondContact ND1-OH 3.44Å
332	L	98.5	Very high	98	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-50.9	-179.3	-71.3	165.6	0	0	0	111.6	L281 L285 L328 W329 E334 K335 M336 L443 I446	L281-L332 HydrophobicContact CB-CD1 4.45Å; L281-L332 HydrophobicContact CD1-CD1 4.37Å; L285-L332 HydrophobicContact CD1-CD1 4.37Å; L285-L332 HydrophobicContact CD1-CD2 4.34Å; L285-L332 HydrophobicContact CD2-CB 4.1Å; L328-L332 HydrophobicContact CD1-CD1 3.96Å; L328-L332 HydrophobicContact CD1-CG 4.14Å; L328-L332 HydrophobicContact CG-CD1 3.89Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.26Å; W329-L332 PolarHBondContact O-N 2.99Å; L332-E334 PolarHBondContact O-N 2.73Å; L332-K335 PolarHBondContact O-N 2.79Å; L332-M336 HydrophobicContact CD2-SD 4.37Å; L332-M336 WeakPolarHBondContact O-CB 3.23Å; L332-M336 WeakPolarHBondContact O-CG 3.1Å; L332-M336 PolarHBondContact O-N 3.43Å; L332-L443 HydrophobicContact CD2-CD1 4.46Å; L332-I446 HydrophobicContact CD1-CD1 3.81Å; L332-I446 HydrophobicContact CD1-CG2 4.33Å; L332-I446 HydrophobicContact CD2-CG2 4.11Å
333	I	98.5	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-39.8	-179.5	-62.3	-58	0	0	0	111.7	L285 I298 W329 F337 Q338 P339 L345	L285-I333 HydrophobicContact CD2-CD1 4.01Å; I298-I333 HydrophobicContact CD1-CG2 4.31Å; I298-I333 HydrophobicContact CG1-CG2 4.14Å; W329-I333 HydrophobicContact CD2-CD1 4.36Å; W329-I333 HydrophobicContact CD2-CG1 3.75Å; W329-I333 VanDerWaalsContact CE2-CG1 3.46Å; W329-I333 HydrophobicContact CE3-CD1 4.24Å; W329-I333 HydrophobicContact CE3-CG1 4.07Å; W329-I333 HydrophobicContact CG-CG1 4.35Å; W329-I333 HydrophobicContact CH2-CD1 3.55Å; W329-I333 HydrophobicContact CH2-CG1 3.97Å; W329-I333 HydrophobicContact CZ2-CD1 3.62Å; W329-I333 HydrophobicContact CZ2-CG1 3.59Å; W329-I333 HydrophobicContact CZ3-CD1 3.85Å; W329-I333 HydrophobicContact CZ3-CG1 4.17Å; W329-I333 WeakPolarHBondContact O-CG1 3.29Å; W329-I333 PolarHBondContact O-N 3.45Å; I333-F337 HydrophobicContact CD1-CD2 3.56Å; I333-F337 HydrophobicContact CD1-CE2 3.69Å; I333-F337 HydrophobicContact CG2-CD2 4.38Å; I333-F337 PolarHBondContact O-N 2.87Å; I333-Q338 PolarHBondContact O-N 3.2Å; I333-P339 HydrophobicContact CG2-CG 4.01Å; I333-P339 WeakPolarHBondContact O-CD 3.38Å; I333-L345 HydrophobicContact CB-CD2 3.98Å; I333-L345 HydrophobicContact CG2-CD2 3.86Å
334	E	98.2	Very high	97.7	Very high	77 Å²	77	47.3 Å²	47.3	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-47.1	174.8	-175.5	165.9	-112.5	0	0	111.7	K89 A330 L332 Q338 L345	K89-E334 IonicContact NZ-OE1 3.32Å; K89-E334 PolarHBondContact NZ-OE1 2.9Å; K89-E334 IonicContact NZ-OE2 3.7Å; K89-E334 PolarHBondContact NZ-OE2 3.27Å; A330-E334 VanDerWaalsContact O-CB 3.25Å; A330-E334 WeakPolarHBondContact O-CB 3.49Å; A330-E334 PolarHBondContact O-N 3.02Å; L332-E334 PolarHBondContact O-N 2.73Å; E334-Q338 PolarHBondContact O-N 3.04Å; E334-L345 HydrophobicContact CB-CD2 3.89Å
335	K	97.7	Very high	97.7	Very high	131 Å²	131	47.7 Å²	47.7	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-64.5	-42.8	179.7	-177.5	-172.5	174	-165.1	0	112.4	H331 L332 Q338	H331-K335 WeakPolarHBondContact O-CB 3.15Å; H331-K335 PolarHBondContact O-N 2.84Å; L332-K335 PolarHBondContact O-N 2.79Å; K335-Q338 PolarHBondContact O-NE2 3.45Å
336	M	97.3	Very high	97.7	Very high	56 Å²	56	48.4 Å²	48.4	28%	0.276	23%	0.233	S	C	.	.	H	α-helix	trans	-93.8	-33.8	-167.6	-66.1	174.3	66.9	0	0	114.2	L285 L332 Q338 E450	L285-M336 HydrophobicContact CD1-CE 4.03Å; L285-M336 HydrophobicContact CD1-SD 3.76Å; L285-M336 HydrophobicContact CD2-CE 4.24Å; L285-M336 HydrophobicContact CD2-SD 3.82Å; L285-M336 HydrophobicContact CG-CE 4.49Å; L285-M336 HydrophobicContact CG-SD 4.36Å; L332-M336 HydrophobicContact CD2-SD 4.37Å; L332-M336 WeakPolarHBondContact O-CB 3.23Å; L332-M336 WeakPolarHBondContact O-CG 3.1Å; L332-M336 PolarHBondContact O-N 3.43Å; M336-Q338 PolarHBondContact O-NE2 3.14Å; M336-Q338 VanDerWaalsContact O-NE2 3.08Å; M336-E450 WeakPolarHBondContact CE-OE2 3.36Å
337	F	97.7	Very high	97.6	Very high	31 Å²	31	48.4 Å²	48.4	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-123.8	-4.6	-171.6	-54	-64.2	0	0	0	114.9	L285 S288 R289 L292 I298 I333	L285-F337 HydrophobicContact CD2-CE2 3.95Å; S288-F337 VanDerWaalsContact CB-CE2 3.44Å; R289-F337 HydrophobicContact CG-CE1 4.3Å; R289-F337 HydrophobicContact CG-CZ 4.22Å; L292-F337 HydrophobicContact CD1-CD1 3.57Å; L292-F337 HydrophobicContact CD1-CE1 3.74Å; I298-F337 HydrophobicContact CB-CB 4.15Å; I298-F337 HydrophobicContact CD1-CB 4.15Å; I298-F337 HydrophobicContact CD1-CD2 4.15Å; I298-F337 HydrophobicContact CD1-CG 4.23Å; I298-F337 HydrophobicContact CG1-CB 3.86Å; I298-F337 HydrophobicContact CG1-CG 4.48Å; I298-F337 HydrophobicContact CG2-CB 4.36Å; I333-F337 HydrophobicContact CD1-CD2 3.56Å; I333-F337 HydrophobicContact CD1-CE2 3.69Å; I333-F337 HydrophobicContact CG2-CD2 4.38Å; I333-F337 PolarHBondContact O-N 2.87Å
338	Q	97.6	Very high	97.5	Very high	131 Å²	131	50 Å²	50	61%	0.612	24%	0.239	S	C	*	.			trans	43.1	55.2	174.6	-50.6	87.1	50.2	0	0	114.8	I333 E334 K335 M336	I333-Q338 PolarHBondContact O-N 3.2Å; E334-Q338 PolarHBondContact O-N 3.04Å; K335-Q338 PolarHBondContact O-NE2 3.45Å; M336-Q338 PolarHBondContact O-NE2 3.14Å; M336-Q338 VanDerWaalsContact O-NE2 3.08Å
339	P	97.4	Very high	97.4	Very high	25 Å²	25	50.1 Å²	50.1	16%	0.162	24%	0.24	C	C	.	.			trans	-62.1	149	-178.3	28.9	-36.9	0	0	0	112.3	I298 D299 I333 L345	I298-P339 HydrophobicContact CG1-CB 4.42Å; I298-P339 HydrophobicContact CG2-CB 3.82Å; D299-P339 VanDerWaalsContact OD1-CB 3.27Å; D299-P339 WeakPolarHBondContact OD1-CB 3.46Å; I333-P339 HydrophobicContact CG2-CG 4.01Å; I333-P339 WeakPolarHBondContact O-CD 3.38Å; P339-L345 HydrophobicContact CG-CD2 3.52Å; P339-L345 HydrophobicContact CG-CG 4.14Å
340	K	97.4	Very high	97.2	Very high	205 Å²	205	51.1 Å²	51.1	89%	0.891	25%	0.245	S	C	*	.	S	Bend	trans	-86	-21.2	175.2	-59.6	173	-176.3	169.8	0	111.9	D299	D299-K340 PolarHBondContact OD1-N 3.44Å; D299-K340 WeakPolarHBondContact OD2-CB 3.29Å; D299-K340 PolarHBondContact OD2-N 3.41Å
341	N	94.7	Very high	97.1	Very high	61 Å²	61	51.1 Å²	51.1	33%	0.326	25%	0.245	S	C	.	.	S	Bend	trans	-105.9	125.8	-178.1	-170.3	-10.6	0	0	0	111.3	D299 K343 S344	D299-N341 HydrophobicContact CB-CB 4.4Å; D299-N341 VanDerWaalsContact OD1-CB 3.23Å; D299-N341 WeakPolarHBondContact OD1-CB 3.49Å; D299-N341 PolarHBondContact OD1-N 3.29Å; N341-K343 PolarHBondContact O-N 3.01Å; N341-K343 VanDerWaalsContact O-N 3.11Å; N341-K343 WeakPolarHBondContact OD1-CB 3.12Å; N341-K343 WeakPolarHBondContact OD1-CG 3.35Å; N341-K343 PolarHBondContact OD1-N 3.48Å; N341-K343 VanDerWaalsContact OD1-N 3.07Å; N341-S344 VanDerWaalsContact O-CB 3.28Å; N341-S344 WeakPolarHBondContact O-CB 3.38Å; N341-S344 PolarHBondContact O-N 3.23Å; N341-S344 PolarHBondContact O-OG 3.35Å
342	S	95.6	Very high	97	Very high	78 Å²	78	49.5 Å²	49.5	55%	0.545	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-60.1	-23.5	176.2	59.6	0	0	0	0	113.4	S344 L345	S342-S344 PolarHBondContact O-N 2.94Å; S342-L345 WeakPolarHBondContact O-CB 3.42Å; S342-L345 PolarHBondContact O-N 3.38Å
343	K	94.9	Very high	97	Very high	128 Å²	128	49.1 Å²	49.1	56%	0.557	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-65.3	-22.3	175.6	-65.9	-178.9	-180	177.1	0	113.8	N341 L345 L346 R348	N341-K343 PolarHBondContact O-N 3.01Å; N341-K343 VanDerWaalsContact O-N 3.11Å; N341-K343 WeakPolarHBondContact OD1-CB 3.12Å; N341-K343 WeakPolarHBondContact OD1-CG 3.35Å; N341-K343 PolarHBondContact OD1-N 3.48Å; N341-K343 VanDerWaalsContact OD1-N 3.07Å; K343-L345 VanDerWaalsContact C-N 3.28Å; K343-L346 HydrophobicContact CB-CD1 4.31Å; K343-L346 HydrophobicContact CG-CD1 4.36Å; K343-L346 WeakPolarHBondContact O-CB 3.01Å; K343-L346 PolarHBondContact O-N 3.35Å; K343-R348 PolarHBondContact O-NH1 3.5Å
344	S	96.7	Very high	97	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-73.8	-21.2	177.9	-52.8	0	0	0	0	112.2	D299 N341 S342 L346	D299-S344 WeakPolarHBondContact OD1-CB 3.15Å; D299-S344 PolarHBondContact OD1-OG 2.89Å; N341-S344 VanDerWaalsContact O-CB 3.28Å; N341-S344 WeakPolarHBondContact O-CB 3.38Å; N341-S344 PolarHBondContact O-N 3.23Å; N341-S344 PolarHBondContact O-OG 3.35Å; S342-S344 PolarHBondContact O-N 2.94Å; S344-L346 VanDerWaalsContact C-N 3.34Å
345	L	98.2	Very high	96.8	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-84.7	-4.6	175.4	-55.8	-178.5	0	0	0	113.5	K89 F91 A330 I333 E334 P339 S342 K343 L347	K89-L345 HydrophobicContact CD-CD1 3.7Å; K89-L345 HydrophobicContact CG-CD1 4.25Å; F91-L345 HydrophobicContact CE2-CB 3.8Å; A330-L345 HydrophobicContact CB-CB 4.26Å; I333-L345 HydrophobicContact CB-CD2 3.98Å; I333-L345 HydrophobicContact CG2-CD2 3.86Å; E334-L345 HydrophobicContact CB-CD2 3.89Å; P339-L345 HydrophobicContact CG-CD2 3.52Å; P339-L345 HydrophobicContact CG-CG 4.14Å; S342-L345 WeakPolarHBondContact O-CB 3.42Å; S342-L345 PolarHBondContact O-N 3.38Å; K343-L345 VanDerWaalsContact C-N 3.28Å; L345-L347 PolarHBondContact O-N 3.13Å
346	L	97.7	Very high	96.7	Very high	16 Å²	16	44 Å²	44	8%	0.084	22%	0.217	C	C	.	.			trans	-83.9	115.7	-174.7	-64.9	177	0	0	0	111.8	F91 P95 Y96 K343 S344 R348	F91-L346 HydrophobicContact CD1-CD2 3.5Å; F91-L346 HydrophobicContact CD2-CD2 4.02Å; F91-L346 HydrophobicContact CE1-CD2 3.38Å; F91-L346 HydrophobicContact CE2-CD2 3.93Å; F91-L346 HydrophobicContact CG-CD2 3.82Å; F91-L346 HydrophobicContact CZ-CD2 3.61Å; P95-L346 HydrophobicContact CB-CD2 3.93Å; P95-L346 WeakPolarHBondContact O-CD2 3.33Å; Y96-L346 HydrophobicContact CE1-CD1 4.48Å; K343-L346 HydrophobicContact CB-CD1 4.31Å; K343-L346 HydrophobicContact CG-CD1 4.36Å; K343-L346 WeakPolarHBondContact O-CB 3.01Å; K343-L346 PolarHBondContact O-N 3.35Å; S344-L346 VanDerWaalsContact C-N 3.34Å; L346-R348 PolarHBondContact O-NH1 2.88Å
347	L	98.3	Very high	96.8	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.209	C	C	.	.			trans	-80.2	117.2	162.7	-169.4	166.8	0	0	0	109.1	L281 F307 W309 G325 R326 W329 L345 A349	L281-L347 HydrophobicContact CD2-CD1 3.85Å; F307-L347 HydrophobicContact CB-CD2 3.89Å; F307-L347 HydrophobicContact CB-CG 4.35Å; F307-L347 HydrophobicContact CD1-CD1 4.37Å; F307-L347 HydrophobicContact CD1-CG 4.34Å; F307-L347 HydrophobicContact CD2-CB 4.43Å; F307-L347 HydrophobicContact CD2-CD1 4.37Å; F307-L347 HydrophobicContact CD2-CD2 3.93Å; F307-L347 HydrophobicContact CD2-CG 3.53Å; F307-L347 HydrophobicContact CE2-CB 4.46Å; F307-L347 HydrophobicContact CE2-CD1 4.47Å; F307-L347 HydrophobicContact CE2-CG 3.83Å; F307-L347 HydrophobicContact CG-CD1 4.3Å; F307-L347 HydrophobicContact CG-CD2 3.91Å; F307-L347 HydrophobicContact CG-CG 3.8Å; F307-L347 HydrophobicContact CZ-CG 4.36Å; W309-L347 HydrophobicContact CZ2-CD1 3.99Å; W309-L347 HydrophobicContact CZ2-CD2 4.5Å; G325-L347 WeakPolarHBondContact O-CD1 3.4Å; R326-L347 HydrophobicContact CG-CB 4.11Å; R326-L347 HydrophobicContact CG-CD2 4.48Å; W329-L347 HydrophobicContact CB-CB 4.11Å; W329-L347 HydrophobicContact CB-CD1 3.89Å; W329-L347 HydrophobicContact CG-CB 4.05Å; W329-L347 HydrophobicContact CG-CD1 4.32Å; L345-L347 PolarHBondContact O-N 3.13Å; L347-A349 HydrophobicContact CD2-CB 4.06Å
348	R	96.1	Very high	96.7	Very high	33 Å²	33	41.2 Å²	41.2	13%	0.125	21%	0.206	C	C	.	.			trans	-113.3	120.8	176.7	-62.8	168.7	-67.4	-84.9	-4.3	109.1	Y96 A302 P303 L305 F307 K343 L346	Y96-R348 WeakPolarHBondContact OH-CD 3.35Å; A302-R348 PolarHBondContact O-NH2 3.22Å; P303-R348 VanDerWaalsContact C-NH2 3.3Å; P303-R348 PolarHBondContact O-NH2 3.4Å; L305-R348 PolarHBondContact O-NE 2.91Å; L305-R348 PolarHBondContact O-NH2 2.92Å; F307-R348 PolarHBondContact N-O 3.44Å; K343-R348 PolarHBondContact O-NH1 3.5Å; L346-R348 PolarHBondContact O-NH1 2.88Å
349	A	95.8	Very high	96.6	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.8	-170.5	0	0	0	0	0	114	F307 M322 L347 T382 Q383 S384	F307-A349 CarbonylContact O-C 3.48Å; F307-A349 WeakPolarHBondContact O-CA 3.46Å; M322-A349 HydrophobicContact CE-CB 4.32Å; L347-A349 HydrophobicContact CD2-CB 4.06Å; A349-T382 PolarHBondContact O-OG1 2.84Å; A349-Q383 WeakPolarHBondContact O-CA 3.01Å; A349-Q383 WeakPolarHBondContact O-CB 3.17Å; A349-Q383 PolarHBondContact O-N 3.21Å; A349-S384 PolarHBondContact O-N 3.43Å
350	H	94.8	Very high	96.4	Very high	24 Å²	24	35.7 Å²	35.7	11%	0.111	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	151.7	147	-176.8	44.7	0	0	0	108.9	F307 F308 W309 S384 H386	F307-H350 PolarHBondContact O-N 3.34Å; F308-H350 WeakPolarHBondContact CA-O 3.3Å; F308-H350 HydrophobicContact CD2-CB 4.05Å; F308-H350 AromaticContact CD2-CD2 3.38Å; F308-H350 WeakPolarHBondContact CD2-CD2 3.44Å; F308-H350 AromaticContact CD2-CG 3.93Å; F308-H350 AromaticContact CE2-CD2 3.39Å; F308-H350 WeakPolarHBondContact CE2-CD2 3.44Å; F308-H350 AromaticContact CE2-NE2 3.9Å; W309-H350 PolarHBondContact N-O 2.95Å; H350-S384 CarbonylContact C-O 3.42Å; H350-S384 WeakPolarHBondContact CA-O 3.3Å; H350-S384 PolarHBondContact ND1-O 3.28Å; H350-S384 PolarHBondContact ND1-OG 3.09Å; H350-S384 VanDerWaalsContact ND1-OG 3.11Å; H350-H386 PolarHBondContact CE1-N 3.19Å
351	C	97	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.5	169	-67.2	0	0	0	0	109.8	W309 I311 M322 A377 T382 S384 L385 H386	W309-C351 WeakPolarHBondContact O-CA 3.45Å; I311-C351 HydrophobicContact CG1-CB 3.87Å; M322-C351 WeakPolarHBondContact CE-SG 3.22Å; C351-A377 HydrophobicContact CB-CB 4.03Å; C351-T382 PolarHBondContact SG-OG1 3.15Å; C351-S384 PolarHBondContact N-O 3.08Å; C351-L385 HydrophobicContact CB-CD1 3.9Å; C351-L385 CarbonylContact O-C 3.48Å; C351-L385 WeakPolarHBondContact O-CA 3.4Å; C351-H386 PolarHBondContact O-N 3.17Å
352	Q	97.3	Very high	96.2	Very high	21 Å²	21	26.8 Å²	26.8	10%	0.098	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.6	164.4	176.1	170.9	-12	0	0	108.5	Y264 F308 W309 G310 I311 H386 N388	Y264-Q352 HydrophobicContact CD2-CB 3.73Å; Y264-Q352 HydrophobicContact CD2-CG 4.13Å; Y264-Q352 HydrophobicContact CE2-CB 3.64Å; Y264-Q352 HydrophobicContact CE2-CG 3.5Å; Y264-Q352 PolarHBondContact OH-NE2 2.73Å; F308-Q352 HydrophobicContact CE2-CB 3.5Å; F308-Q352 VanDerWaalsContact CE2-CB 3.5Å; F308-Q352 HydrophobicContact CZ-CB 3.75Å; W309-Q352 PolarHBondContact O-N 3.33Å; G310-Q352 CarbonylContact C-O 3.54Å; G310-Q352 WeakPolarHBondContact CA-O 3.1Å; I311-Q352 PolarHBondContact N-O 3.41Å; Q352-H386 WeakPolarHBondContact CA-O 3.44Å; Q352-H386 HydrophobicContact CB-CB 3.96Å; Q352-H386 HydrophobicContact CG-CB 3.95Å; Q352-H386 WeakPolarHBondContact CG-ND1 3.42Å; Q352-H386 PolarHBondContact NE2-CE1 2.94Å; Q352-H386 PolarHBondContact NE2-ND1 3.31Å; Q352-H386 PolarHBondContact OE1-ND1 2.86Å; Q352-N388 WeakPolarHBondContact CG-OD1 3.34Å; Q352-N388 PolarHBondContact NE2-OD1 3.24Å
353	T	98.6	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.9	170.5	54.4	0	0	0	0	109.8	I311 G355 T370 E373 H386 T387 N388	I311-T353 CarbonylContact O-C 3.52Å; I311-T353 WeakPolarHBondContact O-CA 3.45Å; T353-G355 PolarHBondContact O-N 2.83Å; T353-T370 HydrophobicContact CG2-CG2 3.99Å; T353-E373 WeakPolarHBondContact CB-OE2 3.35Å; T353-E373 HydrophobicContact CG2-CB 3.58Å; T353-H386 PolarHBondContact N-O 3.46Å; T353-H386 VanDerWaalsContact N-O 3.12Å; T353-T387 HydrophobicContact CG2-CG2 4.12Å; T353-N388 PolarHBondContact O-ND2 3.29Å; T353-N388 PolarHBondContact OG1-N 2.75Å; T353-N388 PolarHBondContact OG1-ND2 3.49Å; T353-N388 PolarHBondContact OG1-OD1 2.93Å
354	S	98	Very high	96.2	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	11%	0.109	C	C	.	.			trans	-60.3	129.8	-176.4	-179.2	0	0	0	0	111.2	E268 I311 W356 S357 N388	E268-S354 VanDerWaalsContact OE1-CA 3.3Å; E268-S354 WeakPolarHBondContact OE1-CA 3.39Å; E268-S354 VanDerWaalsContact OE1-CB 3.3Å; E268-S354 WeakPolarHBondContact OE1-CB 3.42Å; E268-S354 PolarHBondContact OE1-OG 2.98Å; I311-S354 PolarHBondContact O-N 3.27Å; S354-W356 PolarHBondContact OG-N 3.12Å; S354-S357 PolarHBondContact O-OG 3.14Å; S354-S357 VanDerWaalsContact O-OG 3.08Å; S354-S357 PolarHBondContact OG-N 3.07Å; S354-N388 PolarHBondContact O-ND2 3.47Å
355	G	94	Very high	96.3	Very high	24 Å²	24	24.5 Å²	24.5	25%	0.247	12%	0.12	C	C	.	.	S	Bend	trans	-75.1	-36.5	172.1	0	0	0	0	0	110.8	E268 T353 S357 L358 N388	E268-G355 PolarHBondContact OE1-N 3.31Å; E268-G355 VanDerWaalsContact OE2-CA 3.23Å; E268-G355 WeakPolarHBondContact OE2-CA 3.48Å; E268-G355 PolarHBondContact OE2-N 3.45Å; T353-G355 PolarHBondContact O-N 2.83Å; G355-S357 VanDerWaalsContact C-N 3.3Å; G355-S357 PolarHBondContact O-N 3.06Å; G355-L358 WeakPolarHBondContact O-CB 3.42Å; G355-L358 VanDerWaalsContact O-CG 3.29Å; G355-L358 WeakPolarHBondContact O-CG 3.49Å; G355-L358 PolarHBondContact O-N 3.15Å; G355-N388 WeakPolarHBondContact CA-ND2 3.33Å; G355-N388 PolarHBondContact N-ND2 3.25Å
356	W	96.5	Very high	96.3	Very high	73 Å²	73	24.1 Å²	24.1	28%	0.277	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.7	176.9	179.4	89	0	0	0	113.8	E268 S354 L358 R475 I479 R629	E268-W356 PolarHBondContact OE2-N 2.88Å; S354-W356 PolarHBondContact OG-N 3.12Å; W356-L358 PolarHBondContact O-N 2.6Å; W356-R475 HydrophobicContact CH2-CG 4.29Å; W356-I479 HydrophobicContact CH2-CD1 3.62Å; W356-I479 HydrophobicContact CZ2-CD1 3.74Å; W356-R629 VanDerWaalsContact CD1-NH1 3.3Å; W356-R629 VanDerWaalsContact CD2-NH1 3.32Å; W356-R629 VanDerWaalsContact CE2-CZ 3.44Å; W356-R629 VanDerWaalsContact NE1-CZ 3.31Å
357	S	98	Very high	96.3	Very high	14 Å²	14	25.7 Å²	25.7	10%	0.098	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.7	175.1	74.3	0	0	0	0	113.7	S354 G355 R369 E373	S354-S357 PolarHBondContact O-OG 3.14Å; S354-S357 VanDerWaalsContact O-OG 3.08Å; S354-S357 PolarHBondContact OG-N 3.07Å; G355-S357 VanDerWaalsContact C-N 3.3Å; G355-S357 PolarHBondContact O-N 3.06Å; S357-R369 VanDerWaalsContact O-CD 3.25Å; S357-R369 WeakPolarHBondContact O-CD 3.39Å; S357-E373 VanDerWaalsContact CB-OE1 3.24Å; S357-E373 WeakPolarHBondContact CB-OE1 3.27Å; S357-E373 PolarHBondContact OG-OE1 3.15Å; S357-E373 PolarHBondContact OG-OE2 2.81Å
358	L	96.5	Very high	96.4	Very high	13 Å²	13	29.7 Å²	29.7	7%	0.068	15%	0.151	C	C	.	.			trans	-76.9	140.7	-180	-47.6	-178.4	0	0	0	110.7	G355 W356 N366 N388 E392 A393	G355-L358 WeakPolarHBondContact O-CB 3.42Å; G355-L358 VanDerWaalsContact O-CG 3.29Å; G355-L358 WeakPolarHBondContact O-CG 3.49Å; G355-L358 PolarHBondContact O-N 3.15Å; W356-L358 PolarHBondContact O-N 2.6Å; L358-N366 WeakPolarHBondContact CA-OD1 3.46Å; L358-N366 HydrophobicContact CD2-CB 4.06Å; L358-N388 HydrophobicContact CD1-CB 3.74Å; L358-E392 HydrophobicContact CD1-CB 3.83Å; L358-A393 HydrophobicContact CB-CB 4.12Å
359	T	95.5	Very high	96.5	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.049	15%	0.149	C	C	.	.			trans	-105	142.6	179.8	60.9	0	0	0	0	111.6	Q361 N366 R369 I486 V489	T359-Q361 WeakPolarHBondContact CB-O 3.39Å; T359-Q361 PolarHBondContact OG1-O 2.93Å; T359-N366 PolarHBondContact N-ND2 2.75Å; T359-N366 PolarHBondContact N-OD1 3.41Å; T359-N366 PolarHBondContact O-ND2 2.92Å; T359-R369 PolarHBondContact OG1-NH1 3.17Å; T359-I486 HydrophobicContact CG2-CG2 3.51Å; T359-V489 HydrophobicContact CG2-CG2 3.45Å; T359-V489 VanDerWaalsContact CG2-CG2 3.45Å
360	E	92	Very high	96.6	Very high	32 Å²	32	29.2 Å²	29.2	15%	0.15	15%	0.148	C	C	.	.	S	Bend	trans	-67.7	-44.6	167.9	-173.6	-165.9	173.9	0	0	110	P363 L394 P724	E360-P363 WeakPolarHBondContact O-CD 3.34Å; E360-L394 HydrophobicContact CG-CD2 3.52Å; E360-L394 HydrophobicContact CG-CG 4.13Å; E360-P724 HydrophobicContact CB-CB 4.21Å; E360-P724 HydrophobicContact CB-CG 4.45Å; E360-P724 WeakPolarHBondContact OE2-CD 3.29Å; E360-P724 WeakPolarHBondContact OE2-CG 3.4Å
361	Q	93.4	Very high	96.8	Very high	38 Å²	38	29.5 Å²	29.5	18%	0.178	16%	0.155	C	C	.	.	S	Bend	trans	-76.3	140.9	178.5	-57.1	79.3	11.3	0	0	111.5	T359 V489 P724	T359-Q361 WeakPolarHBondContact CB-O 3.39Å; T359-Q361 PolarHBondContact OG1-O 2.93Å; Q361-V489 HydrophobicContact CB-CG2 4.28Å; Q361-P724 PolarHBondContact NE2-O 3.18Å
362	D	95.1	Very high	96.9	Very high	41 Å²	41	32.3 Å²	32.3	22%	0.219	17%	0.169	C	C	.	.	S	Bend	trans	35.4	61.2	-172.5	-168.9	3.1	0	0	0	112.7	Y364 N365 L494 E497	D362-Y364 PolarHBondContact O-N 3.1Å; D362-Y364 VanDerWaalsContact O-N 3.11Å; D362-N365 WeakPolarHBondContact CB-ND2 3.46Å; D362-N365 WeakPolarHBondContact O-CB 3.33Å; D362-N365 PolarHBondContact O-N 3.31Å; D362-N365 PolarHBondContact O-ND2 3.23Å; D362-N365 VanDerWaalsContact O-ND2 3.12Å; D362-N365 PolarHBondContact OD2-ND2 3.31Å; D362-L494 HydrophobicContact CB-CD1 3.96Å; D362-L494 HydrophobicContact CB-CG 4.38Å; D362-E497 PolarHBondContact N-OE2 3.23Å
363	P	94.6	Very high	97	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.045	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.3	-164.5	27.8	-34.7	0	0	0	112.9	E360 N365 N366 F390 L394 V500	E360-P363 WeakPolarHBondContact O-CD 3.34Å; P363-N365 PolarHBondContact O-N 3.32Å; P363-N366 WeakPolarHBondContact O-CB 3.38Å; P363-N366 PolarHBondContact O-N 2.95Å; P363-N366 PolarHBondContact O-ND2 2.98Å; P363-F390 HydrophobicContact CB-CD2 4.4Å; P363-L394 HydrophobicContact CB-CD1 4.4Å; P363-L394 HydrophobicContact CG-CD1 4.28Å; P363-V500 HydrophobicContact CG-CG2 3.77Å
364	Y	96.8	Very high	97	Very high	108 Å²	108	31.3 Å²	31.3	42%	0.424	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.2	171.8	-75.1	-79.1	0	0	0	112.6	D362 N366 I367 F390 K400	D362-Y364 PolarHBondContact O-N 3.1Å; D362-Y364 VanDerWaalsContact O-N 3.11Å; Y364-N366 PolarHBondContact O-N 3.49Å; Y364-I367 HydrophobicContact CD1-CD1 3.9Å; Y364-I367 WeakPolarHBondContact O-CB 3.38Å; Y364-I367 WeakPolarHBondContact O-CG1 3.24Å; Y364-I367 PolarHBondContact O-N 3.18Å; Y364-I367 VanDerWaalsContact O-N 3.17Å; Y364-F390 HydrophobicContact CD1-CD2 4.39Å; Y364-F390 HydrophobicContact CD1-CE2 4.25Å; Y364-F390 HydrophobicContact CE1-CD2 4.46Å; Y364-F390 HydrophobicContact CE1-CE1 4.39Å; Y364-F390 AromaticContact CE1-CE2 3.89Å; Y364-F390 HydrophobicContact CE1-CE2 3.89Å; Y364-F390 AromaticContact CE1-CZ 3.87Å; Y364-F390 HydrophobicContact CE1-CZ 3.87Å; Y364-F390 HydrophobicContact CE2-CE2 4.45Å; Y364-F390 AromaticContact CZ-CE2 4Å; Y364-K400 PolarHBondContact OH-NZ 2.82Å
365	N	98.2	Very high	97	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-27.2	169	-72.2	-52.3	0	0	0	112.9	D362 P363 I367 V368 R369	D362-N365 WeakPolarHBondContact CB-ND2 3.46Å; D362-N365 WeakPolarHBondContact O-CB 3.33Å; D362-N365 PolarHBondContact O-N 3.31Å; D362-N365 PolarHBondContact O-ND2 3.23Å; D362-N365 VanDerWaalsContact O-ND2 3.12Å; D362-N365 PolarHBondContact OD2-ND2 3.31Å; P363-N365 PolarHBondContact O-N 3.32Å; N365-I367 PolarHBondContact O-N 3.41Å; N365-V368 PolarHBondContact O-N 3.48Å; N365-R369 PolarHBondContact O-N 2.79Å; N365-R369 VanDerWaalsContact O-N 3.12Å
366	N	98	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-27.5	178.1	-63.5	-29.6	0	0	0	112.2	L358 T359 P363 Y364 V368 R369 T370 F390	L358-N366 WeakPolarHBondContact CA-OD1 3.46Å; L358-N366 HydrophobicContact CD2-CB 4.06Å; T359-N366 PolarHBondContact N-ND2 2.75Å; T359-N366 PolarHBondContact N-OD1 3.41Å; T359-N366 PolarHBondContact O-ND2 2.92Å; P363-N366 WeakPolarHBondContact O-CB 3.38Å; P363-N366 PolarHBondContact O-N 2.95Å; P363-N366 PolarHBondContact O-ND2 2.98Å; Y364-N366 PolarHBondContact O-N 3.49Å; N366-V368 VanDerWaalsContact C-N 3.26Å; N366-V368 PolarHBondContact O-N 2.89Å; N366-R369 PolarHBondContact O-N 2.96Å; N366-R369 PolarHBondContact OD1-NH1 3.48Å; N366-T370 WeakPolarHBondContact O-CB 3.15Å; N366-T370 PolarHBondContact O-N 2.8Å; N366-T370 PolarHBondContact O-OG1 3.39Å; N366-T370 VanDerWaalsContact O-OG1 3.06Å; N366-F390 HydrophobicContact CB-CB 3.95Å; N366-F390 PolarHBondContact ND2-O 2.78Å
367	I	98.6	Very high	97.4	Very high	49 Å²	49	29.7 Å²	29.7	25%	0.251	15%	0.154	S	C	.	.	H	α-helix	trans	-58.5	-41.5	173.7	-58.5	175.8	0	0	0	110.6	Y364 N365 A371 F390 I404	Y364-I367 HydrophobicContact CD1-CD1 3.9Å; Y364-I367 WeakPolarHBondContact O-CB 3.38Å; Y364-I367 WeakPolarHBondContact O-CG1 3.24Å; Y364-I367 PolarHBondContact O-N 3.18Å; Y364-I367 VanDerWaalsContact O-N 3.17Å; N365-I367 PolarHBondContact O-N 3.41Å; I367-A371 VanDerWaalsContact O-CB 3.31Å; I367-A371 WeakPolarHBondContact O-CB 3.36Å; I367-A371 PolarHBondContact O-N 2.87Å; I367-A371 VanDerWaalsContact O-N 3.12Å; I367-F390 HydrophobicContact CD1-CD1 4.34Å; I367-F390 HydrophobicContact CD1-CG 4.44Å; I367-F390 HydrophobicContact CG1-CB 3.7Å; I367-F390 HydrophobicContact CG1-CD1 4.29Å; I367-F390 HydrophobicContact CG1-CG 4.13Å; I367-I404 HydrophobicContact CD1-CD1 4.28Å; I367-I404 HydrophobicContact CD1-CG2 4.11Å; I367-I404 HydrophobicContact CG1-CG2 4.07Å; I367-I404 HydrophobicContact CG2-CG2 4Å
368	V	98.9	Very high	97.4	Very high	88 Å²	88	29.1 Å²	29.1	53%	0.533	15%	0.15	S	C	.	.	H	α-helix	trans	-75.3	-39	179	-177.9	0	0	0	0	111.2	N365 N366 A371 I372	N365-V368 PolarHBondContact O-N 3.48Å; N366-V368 VanDerWaalsContact C-N 3.26Å; N366-V368 PolarHBondContact O-N 2.89Å; V368-A371 PolarHBondContact O-N 3.11Å; V368-I372 HydrophobicContact CG1-CD1 3.95Å; V368-I372 WeakPolarHBondContact O-CG1 3.33Å; V368-I372 PolarHBondContact O-N 2.86Å
369	R	98.8	Very high	97.5	Very high	24 Å²	24	29.9 Å²	29.9	9%	0.091	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-57.6	174.7	-63.7	-177.2	-180	105.9	-0.3	111.1	M313 S357 T359 N365 N366 A371 I372 E373 V487	M313-R369 HydrophobicContact CE-CG 4.28Å; M313-R369 HydrophobicContact SD-CB 3.67Å; M313-R369 HydrophobicContact SD-CG 3.88Å; S357-R369 VanDerWaalsContact O-CD 3.25Å; S357-R369 WeakPolarHBondContact O-CD 3.39Å; T359-R369 PolarHBondContact OG1-NH1 3.17Å; N365-R369 PolarHBondContact O-N 2.79Å; N365-R369 VanDerWaalsContact O-N 3.12Å; N366-R369 PolarHBondContact O-N 2.96Å; N366-R369 PolarHBondContact OD1-NH1 3.48Å; R369-A371 PolarHBondContact O-N 3.36Å; R369-I372 PolarHBondContact O-N 3.3Å; R369-E373 WeakPolarHBondContact O-CG 3.34Å; R369-E373 PolarHBondContact O-N 3.5Å; R369-V487 PolarHBondContact NH2-O 3.49Å
370	T	98.8	Very high	97.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-34.6	177.5	-57.5	0	0	0	0	112	T353 N366 A374 T387 N388	T353-T370 HydrophobicContact CG2-CG2 3.99Å; N366-T370 WeakPolarHBondContact O-CB 3.15Å; N366-T370 PolarHBondContact O-N 2.8Å; N366-T370 PolarHBondContact O-OG1 3.39Å; N366-T370 VanDerWaalsContact O-OG1 3.06Å; T370-A374 WeakPolarHBondContact O-CB 3.39Å; T370-A374 PolarHBondContact O-N 3.14Å; T370-T387 HydrophobicContact CG2-CG2 3.86Å; T370-N388 WeakPolarHBondContact CG2-O 3.38Å
371	A	98.9	Very high	98	Very high	30 Å²	30	28.3 Å²	28.3	25%	0.248	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-42.7	175.3	0	0	0	0	0	112.9	I367 V368 R369 A374 M375 T408	I367-A371 VanDerWaalsContact O-CB 3.31Å; I367-A371 WeakPolarHBondContact O-CB 3.36Å; I367-A371 PolarHBondContact O-N 2.87Å; I367-A371 VanDerWaalsContact O-N 3.12Å; V368-A371 PolarHBondContact O-N 3.11Å; R369-A371 PolarHBondContact O-N 3.36Å; A371-A374 PolarHBondContact O-N 3.01Å; A371-M375 VanDerWaalsContact O-CG 3.3Å; A371-M375 WeakPolarHBondContact O-CG 3.39Å; A371-M375 PolarHBondContact O-N 3.3Å; A371-T408 HydrophobicContact CB-CG2 3.97Å
372	I	98.9	Very high	98.3	Very high	59 Å²	59	26.5 Å²	26.5	30%	0.303	14%	0.138	S	C	.	.	H	α-helix	trans	-64.3	-44.5	175.9	-69.7	165.1	0	0	0	110.5	M313 F315 V368 R369 M375 A376	M313-I372 HydrophobicContact CE-CB 4.5Å; M313-I372 HydrophobicContact CE-CD1 3.99Å; M313-I372 HydrophobicContact CE-CG2 4.34Å; F315-I372 HydrophobicContact CB-CG2 4.31Å; F315-I372 HydrophobicContact CD2-CG2 4.04Å; V368-I372 HydrophobicContact CG1-CD1 3.95Å; V368-I372 WeakPolarHBondContact O-CG1 3.33Å; V368-I372 PolarHBondContact O-N 2.86Å; R369-I372 PolarHBondContact O-N 3.3Å; I372-M375 PolarHBondContact O-N 3.3Å; I372-A376 PolarHBondContact O-N 2.94Å
373	E	98.9	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-43.2	177.6	-66.8	168.4	152.4	0	0	111.2	I311 G312 M313 T353 S357 R369 M375 A376 A377	I311-E373 HydrophobicContact CG2-CB 4.08Å; I311-E373 WeakPolarHBondContact CG2-O 3.44Å; I311-E373 WeakPolarHBondContact O-CG 3.42Å; G312-E373 WeakPolarHBondContact CA-OE1 3.39Å; M313-E373 PolarHBondContact N-OE1 3.32Å; M313-E373 HydrophobicContact SD-CG 4.01Å; T353-E373 WeakPolarHBondContact CB-OE2 3.35Å; T353-E373 HydrophobicContact CG2-CB 3.58Å; S357-E373 VanDerWaalsContact CB-OE1 3.24Å; S357-E373 WeakPolarHBondContact CB-OE1 3.27Å; S357-E373 PolarHBondContact OG-OE1 3.15Å; S357-E373 PolarHBondContact OG-OE2 2.81Å; R369-E373 WeakPolarHBondContact O-CG 3.34Å; R369-E373 PolarHBondContact O-N 3.5Å; E373-M375 VanDerWaalsContact C-N 3.34Å; E373-M375 PolarHBondContact O-N 2.73Å; E373-A376 PolarHBondContact O-N 3.5Å; E373-A377 PolarHBondContact O-N 3.25Å
374	A	98.9	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-44.4	173.3	0	0	0	0	0	112	T370 A371 A376 A377 V378 L385 T387 T408 I412	T370-A374 WeakPolarHBondContact O-CB 3.39Å; T370-A374 PolarHBondContact O-N 3.14Å; A371-A374 PolarHBondContact O-N 3.01Å; A374-A376 PolarHBondContact O-N 2.8Å; A374-A377 PolarHBondContact O-N 3.43Å; A374-V378 VanDerWaalsContact O-CG2 3.27Å; A374-V378 WeakPolarHBondContact O-CG2 3.34Å; A374-V378 PolarHBondContact O-N 2.73Å; A374-L385 HydrophobicContact CB-CD2 3.97Å; A374-T387 HydrophobicContact CB-CG2 3.67Å; A374-T408 HydrophobicContact CB-CG2 4.13Å; A374-I412 HydrophobicContact CB-CD1 3.72Å
375	M	98.9	Very high	98.1	Very high	66 Å²	66	21.2 Å²	21.2	33%	0.325	12%	0.116	S	C	.	.	H	α-helix	trans	-62.3	-41.4	175.8	-73	174.1	62.1	0	0	111.8	F315 A371 I372 E373 V378 F379 I412 I418	F315-M375 HydrophobicContact CE2-CB 3.96Å; A371-M375 VanDerWaalsContact O-CG 3.3Å; A371-M375 WeakPolarHBondContact O-CG 3.39Å; A371-M375 PolarHBondContact O-N 3.3Å; I372-M375 PolarHBondContact O-N 3.3Å; E373-M375 VanDerWaalsContact C-N 3.34Å; E373-M375 PolarHBondContact O-N 2.73Å; M375-V378 PolarHBondContact O-N 3.22Å; M375-F379 HydrophobicContact CB-CD2 4.34Å; M375-F379 HydrophobicContact CB-CE2 4.23Å; M375-F379 HydrophobicContact CE-CE2 3.98Å; M375-F379 WeakPolarHBondContact O-CB 3.21Å; M375-F379 WeakPolarHBondContact O-CD2 3.12Å; M375-F379 WeakPolarHBondContact O-CG 3.39Å; M375-F379 PolarHBondContact O-N 3.04Å; M375-I412 HydrophobicContact CG-CD1 3.94Å; M375-I412 HydrophobicContact CG-CG1 4.39Å; M375-I418 HydrophobicContact CE-CD1 4.14Å
376	A	98.9	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-43.8	175	0	0	0	0	0	112	I311 F315 E318 I319 I372 E373 A374 V378 F379 G380	I311-A376 HydrophobicContact CG2-CB 3.86Å; F315-A376 HydrophobicContact CD2-CB 3.73Å; F315-A376 HydrophobicContact CE2-CB 4.2Å; F315-A376 HydrophobicContact CG-CB 4.35Å; E318-A376 HydrophobicContact CB-CB 4.13Å; I319-A376 HydrophobicContact CG1-CB 4.28Å; I372-A376 PolarHBondContact O-N 2.94Å; E373-A376 PolarHBondContact O-N 3.5Å; A374-A376 PolarHBondContact O-N 2.8Å; A376-V378 VanDerWaalsContact C-N 3.34Å; A376-V378 PolarHBondContact O-N 2.94Å; A376-F379 PolarHBondContact O-N 2.83Å; A376-G380 PolarHBondContact O-N 3.48Å
377	A	98.8	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-39.4	177	0	0	0	0	0	113.1	I311 C351 E373 A374 G381 T382 L385	I311-A377 HydrophobicContact CD1-CB 4.3Å; I311-A377 HydrophobicContact CG1-CB 3.9Å; I311-A377 HydrophobicContact CG2-CB 4.44Å; C351-A377 HydrophobicContact CB-CB 4.03Å; E373-A377 PolarHBondContact O-N 3.25Å; A374-A377 PolarHBondContact O-N 3.43Å; A377-G381 PolarHBondContact O-N 2.82Å; A377-T382 HydrophobicContact CB-CG2 4.36Å; A377-T382 WeakPolarHBondContact O-CB 3.24Å; A377-T382 WeakPolarHBondContact O-CG2 3.32Å; A377-T382 PolarHBondContact O-N 2.88Å; A377-T382 VanDerWaalsContact O-N 3.11Å; A377-L385 HydrophobicContact CB-CD1 3.7Å; A377-L385 HydrophobicContact CB-CD2 4.36Å
378	V	98.9	Very high	97.7	Very high	3 Å²	3	17 Å²	17	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-70.2	-48.8	177.2	172	0	0	0	0	110.5	Y100 W105 A374 M375 A376 G380 G381 L385 I412 I418	Y100-V378 HydrophobicContact CD2-CG1 4.33Å; Y100-V378 HydrophobicContact CE2-CG1 3.84Å; Y100-V378 WeakPolarHBondContact CE2-O 3.35Å; W105-V378 HydrophobicContact CD2-CG2 4.01Å; W105-V378 HydrophobicContact CE3-CG1 4.14Å; W105-V378 HydrophobicContact CE3-CG2 3.78Å; W105-V378 HydrophobicContact CH2-CB 4.47Å; W105-V378 HydrophobicContact CH2-CG1 4.14Å; W105-V378 HydrophobicContact CH2-CG2 3.44Å; W105-V378 VanDerWaalsContact CH2-CG2 3.44Å; W105-V378 HydrophobicContact CZ2-CG2 3.65Å; W105-V378 HydrophobicContact CZ3-CB 4.23Å; W105-V378 HydrophobicContact CZ3-CG1 3.6Å; W105-V378 HydrophobicContact CZ3-CG2 3.5Å; A374-V378 VanDerWaalsContact O-CG2 3.27Å; A374-V378 WeakPolarHBondContact O-CG2 3.34Å; A374-V378 PolarHBondContact O-N 2.73Å; M375-V378 PolarHBondContact O-N 3.22Å; A376-V378 VanDerWaalsContact C-N 3.34Å; A376-V378 PolarHBondContact O-N 2.94Å; V378-G380 VanDerWaalsContact C-N 3.27Å; V378-G380 PolarHBondContact O-N 3.13Å; V378-G381 PolarHBondContact O-N 3.25Å; V378-L385 HydrophobicContact CG2-CD2 4.33Å; V378-I412 HydrophobicContact CG1-CG2 4.31Å; V378-I412 HydrophobicContact CG2-CG2 4.32Å; V378-I418 HydrophobicContact CG1-CG2 3.73Å
379	F	98.9	Very high	97.4	Very high	29 Å²	29	13 Å²	13	13%	0.127	7%	0.07	C	C	.	.	H	α-helix	trans	-63.4	-33.5	175.7	-74	-51	0	0	0	112.9	F315 I319 M375 A376 G381 I418 P424 W425	F315-F379 AromaticContact CE2-CD2 3.91Å; F315-F379 HydrophobicContact CE2-CD2 3.91Å; F315-F379 HydrophobicContact CE2-CE2 4.21Å; F315-F379 AromaticContact CZ-CD2 3.51Å; F315-F379 HydrophobicContact CZ-CD2 3.51Å; F315-F379 AromaticContact CZ-CE2 3.74Å; F315-F379 HydrophobicContact CZ-CE2 3.74Å; I319-F379 HydrophobicContact CD1-CB 3.63Å; I319-F379 HydrophobicContact CD1-CD2 4.23Å; I319-F379 HydrophobicContact CD1-CG 4.3Å; I319-F379 HydrophobicContact CG1-CB 3.83Å; M375-F379 HydrophobicContact CB-CD2 4.34Å; M375-F379 HydrophobicContact CB-CE2 4.23Å; M375-F379 HydrophobicContact CE-CE2 3.98Å; M375-F379 WeakPolarHBondContact O-CB 3.21Å; M375-F379 WeakPolarHBondContact O-CD2 3.12Å; M375-F379 WeakPolarHBondContact O-CG 3.39Å; M375-F379 PolarHBondContact O-N 3.04Å; A376-F379 PolarHBondContact O-N 2.83Å; F379-G381 PolarHBondContact O-N 2.74Å; F379-I418 HydrophobicContact CD1-CG2 4.03Å; F379-I418 HydrophobicContact CE1-CB 4.44Å; F379-I418 HydrophobicContact CE1-CD1 4.3Å; F379-I418 HydrophobicContact CE1-CG1 4.13Å; F379-I418 HydrophobicContact CE1-CG2 3.55Å; F379-I418 HydrophobicContact CE2-CD1 4.22Å; F379-I418 HydrophobicContact CZ-CD1 3.66Å; F379-I418 HydrophobicContact CZ-CG1 3.9Å; F379-I418 HydrophobicContact CZ-CG2 4.03Å; F379-P424 HydrophobicContact CD1-CG 3.6Å; F379-P424 HydrophobicContact CE1-CG 3.78Å; F379-W425 AromaticContact CD1-CD1 3.73Å; F379-W425 AromaticContact CD1-NE1 3.59Å; F379-W425 AromaticContact CD2-NE1 3.72Å; F379-W425 AromaticContact CG-CD1 3.75Å; F379-W425 AromaticContact CG-NE1 3.43Å
380	G	98.8	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.3	172.1	0	0	0	0	0	113.9	M322 R326 A376 V378	M322-G380 WeakPolarHBondContact CB-O 3.41Å; R326-G380 VanDerWaalsContact CZ-O 3.24Å; R326-G380 PolarHBondContact NH1-O 2.89Å; R326-G380 PolarHBondContact NH2-O 3.01Å; A376-G380 PolarHBondContact O-N 3.48Å; V378-G380 VanDerWaalsContact C-N 3.27Å; V378-G380 PolarHBondContact O-N 3.13Å
381	G	98.7	Very high	96.9	Very high	6 Å²	6	12.3 Å²	12.3	6%	0.062	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	41.5	173.7	0	0	0	0	0	114.9	Y100 A377 V378 F379 Q383	Y100-G381 VanDerWaalsContact OH-CA 3.32Å; Y100-G381 WeakPolarHBondContact OH-CA 3.48Å; A377-G381 PolarHBondContact O-N 2.82Å; V378-G381 PolarHBondContact O-N 3.25Å; F379-G381 PolarHBondContact O-N 2.74Å; G381-Q383 PolarHBondContact O-NE2 2.76Å
382	T	98.4	Very high	96.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.			trans	-59.4	156.4	173.1	-166.4	0	0	0	0	114.4	Y100 W105 A349 C351 A377 S384 L385	Y100-T382 VanDerWaalsContact CE1-O 3.27Å; Y100-T382 WeakPolarHBondContact CE1-O 3.24Å; Y100-T382 PolarHBondContact OH-N 2.9Å; Y100-T382 PolarHBondContact OH-O 3.4Å; W105-T382 HydrophobicContact CB-CG2 4.24Å; W105-T382 HydrophobicContact CG-CG2 4.28Å; A349-T382 PolarHBondContact O-OG1 2.84Å; C351-T382 PolarHBondContact SG-OG1 3.15Å; A377-T382 HydrophobicContact CB-CG2 4.36Å; A377-T382 WeakPolarHBondContact O-CB 3.24Å; A377-T382 WeakPolarHBondContact O-CG2 3.32Å; A377-T382 PolarHBondContact O-N 2.88Å; A377-T382 VanDerWaalsContact O-N 3.11Å; T382-S384 PolarHBondContact OG1-N 2.62Å; T382-S384 PolarHBondContact OG1-O 3.07Å; T382-L385 HydrophobicContact CG2-CB 4.27Å
383	Q	94.6	Very high	95.8	Very high	32 Å²	32	11.4 Å²	11.4	15%	0.15	6%	0.06	C	C	.	.	S	Bend	trans	-98	-23.2	174.1	-77.9	61.5	74.3	0	0	112.4	Y96 T106 A349 G381	Y96-Q383 HydrophobicContact CE2-CG 3.83Å; T106-Q383 PolarHBondContact N-O 3.21Å; A349-Q383 WeakPolarHBondContact O-CA 3.01Å; A349-Q383 WeakPolarHBondContact O-CB 3.17Å; A349-Q383 PolarHBondContact O-N 3.21Å; G381-Q383 PolarHBondContact O-NE2 2.76Å
384	S	93.1	Very high	95	Very high	13 Å²	13	12.3 Å²	12.3	9%	0.091	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	147.9	172	58.4	0	0	0	0	110.8	T106 A349 H350 C351 T382	T106-S384 WeakPolarHBondContact O-CA 3.4Å; T106-S384 WeakPolarHBondContact O-CB 3.39Å; A349-S384 PolarHBondContact O-N 3.43Å; H350-S384 CarbonylContact C-O 3.42Å; H350-S384 WeakPolarHBondContact CA-O 3.3Å; H350-S384 PolarHBondContact ND1-O 3.28Å; H350-S384 PolarHBondContact ND1-OG 3.09Å; H350-S384 VanDerWaalsContact ND1-OG 3.11Å; C351-S384 PolarHBondContact N-O 3.08Å; T382-S384 PolarHBondContact OG1-N 2.62Å; T382-S384 PolarHBondContact OG1-O 3.07Å
385	L	94.8	Very high	94.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135	-171.1	178.6	62.5	0	0	0	111.4	T106 R108 C351 A374 A377 V378 T382 T387 Q409	T106-L385 PolarHBondContact O-N 3.26Å; T106-L385 VanDerWaalsContact O-N 3.12Å; R108-L385 CarbonylContact C-O 3.55Å; R108-L385 PolarHBondContact N-O 3.13Å; C351-L385 HydrophobicContact CB-CD1 3.9Å; C351-L385 CarbonylContact O-C 3.48Å; C351-L385 WeakPolarHBondContact O-CA 3.4Å; A374-L385 HydrophobicContact CB-CD2 3.97Å; A377-L385 HydrophobicContact CB-CD1 3.7Å; A377-L385 HydrophobicContact CB-CD2 4.36Å; V378-L385 HydrophobicContact CG2-CD2 4.33Å; T382-L385 HydrophobicContact CG2-CB 4.27Å; L385-T387 HydrophobicContact CD2-CG2 4.06Å; L385-T387 HydrophobicContact CG-CG2 4.17Å; L385-Q409 HydrophobicContact CD2-CG 4.05Å; L385-Q409 HydrophobicContact CG-CG 4.47Å; L385-Q409 PolarHBondContact O-NE2 2.88Å; L385-Q409 PolarHBondContact O-OE1 2.99Å
386	H	94.3	Very high	93.2	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.019	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.3	159.5	-178.5	-154	0	0	0	108.7	R108 Q109 Y110 H350 C351 Q352 T353 N388	R108-H386 WeakPolarHBondContact O-CA 3.41Å; R108-H386 WeakPolarHBondContact O-CB 3.42Å; Q109-H386 PolarHBondContact OE1-CD2 3.43Å; Y110-H386 WeakPolarHBondContact CB-CE1 3.47Å; Y110-H386 WeakPolarHBondContact CB-ND1 3.45Å; Y110-H386 PolarHBondContact N-CD2 3.17Å; Y110-H386 PolarHBondContact N-NE2 3.27Å; H350-H386 PolarHBondContact CE1-N 3.19Å; C351-H386 PolarHBondContact O-N 3.17Å; Q352-H386 WeakPolarHBondContact CA-O 3.44Å; Q352-H386 HydrophobicContact CB-CB 3.96Å; Q352-H386 HydrophobicContact CG-CB 3.95Å; Q352-H386 WeakPolarHBondContact CG-ND1 3.42Å; Q352-H386 PolarHBondContact NE2-CE1 2.94Å; Q352-H386 PolarHBondContact NE2-ND1 3.31Å; Q352-H386 PolarHBondContact OE1-ND1 2.86Å; T353-H386 PolarHBondContact N-O 3.46Å; T353-H386 VanDerWaalsContact N-O 3.12Å; H386-N388 PolarHBondContact CE1-OD1 2.87Å
387	T	97.2	Very high	92.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.			trans	-107.7	123.8	168.6	38.8	0	0	0	0	108.3	Q109 T353 T370 A374 L385 A405 T408 Q409	Q109-T387 PolarHBondContact NE2-O 3.47Å; Q109-T387 VanDerWaalsContact OE1-N 3.16Å; Q109-T387 PolarHBondContact OE1-O 3.12Å; Q109-T387 PolarHBondContact OE1-OG1 3.45Å; T353-T387 HydrophobicContact CG2-CG2 4.12Å; T370-T387 HydrophobicContact CG2-CG2 3.86Å; A374-T387 HydrophobicContact CB-CG2 3.67Å; L385-T387 HydrophobicContact CD2-CG2 4.06Å; L385-T387 HydrophobicContact CG-CG2 4.17Å; T387-A405 WeakPolarHBondContact O-CB 3.49Å; T387-A405 PolarHBondContact OG1-O 3.18Å; T387-T408 HydrophobicContact CG2-CG2 4.45Å; T387-Q409 HydrophobicContact CG2-CG 3.6Å; T387-Q409 PolarHBondContact OG1-NE2 2.85Å
388	N	95.1	Very high	91.6	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.011	9%	0.092	C	C	.	.			trans	-68.4	158.7	179.6	-57.8	-18.2	0	0	0	111.4	Q352 T353 S354 G355 L358 T370 H386 E392	Q352-N388 WeakPolarHBondContact CG-OD1 3.34Å; Q352-N388 PolarHBondContact NE2-OD1 3.24Å; T353-N388 PolarHBondContact O-ND2 3.29Å; T353-N388 PolarHBondContact OG1-N 2.75Å; T353-N388 PolarHBondContact OG1-ND2 3.49Å; T353-N388 PolarHBondContact OG1-OD1 2.93Å; S354-N388 PolarHBondContact O-ND2 3.47Å; G355-N388 WeakPolarHBondContact CA-ND2 3.33Å; G355-N388 PolarHBondContact N-ND2 3.25Å; L358-N388 HydrophobicContact CD1-CB 3.74Å; T370-N388 WeakPolarHBondContact CG2-O 3.38Å; H386-N388 PolarHBondContact CE1-OD1 2.87Å; N388-E392 VanDerWaalsContact CB-OE2 3.3Å; N388-E392 WeakPolarHBondContact CB-OE2 3.49Å
389	S	93.5	Very high	90.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	13%	0.128	C	C	.	.			trans	-87.7	147.9	176.8	-39.5	0	0	0	0	110.5	D391 E392 P397 S401	S389-D391 VanDerWaalsContact CB-OD1 3.32Å; S389-D391 WeakPolarHBondContact CB-OD1 3.12Å; S389-D391 PolarHBondContact O-N 3.26Å; S389-E392 WeakPolarHBondContact CA-OE1 3.43Å; S389-E392 WeakPolarHBondContact CB-OE1 3.18Å; S389-E392 VanDerWaalsContact N-CD 3.27Å; S389-E392 PolarHBondContact N-OE1 3.11Å; S389-E392 PolarHBondContact O-N 3.33Å; S389-E392 VanDerWaalsContact O-N 3.14Å; S389-E392 PolarHBondContact OG-OE1 3.02Å; S389-P397 WeakPolarHBondContact OG-CB 3.3Å; S389-P397 WeakPolarHBondContact OG-CG 3.45Å; S389-S401 WeakPolarHBondContact CB-OG 3Å
390	F	94.9	Very high	90.4	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.031	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.5	-170.2	77.8	-96.3	0	0	0	114.1	P363 Y364 N366 I367 S401 I404 V500	P363-F390 HydrophobicContact CB-CD2 4.4Å; Y364-F390 HydrophobicContact CD1-CD2 4.39Å; Y364-F390 HydrophobicContact CD1-CE2 4.25Å; Y364-F390 HydrophobicContact CE1-CD2 4.46Å; Y364-F390 HydrophobicContact CE1-CE1 4.39Å; Y364-F390 AromaticContact CE1-CE2 3.89Å; Y364-F390 HydrophobicContact CE1-CE2 3.89Å; Y364-F390 AromaticContact CE1-CZ 3.87Å; Y364-F390 HydrophobicContact CE1-CZ 3.87Å; Y364-F390 HydrophobicContact CE2-CE2 4.45Å; Y364-F390 AromaticContact CZ-CE2 4Å; N366-F390 HydrophobicContact CB-CB 3.95Å; N366-F390 PolarHBondContact ND2-O 2.78Å; I367-F390 HydrophobicContact CD1-CD1 4.34Å; I367-F390 HydrophobicContact CD1-CG 4.44Å; I367-F390 HydrophobicContact CG1-CB 3.7Å; I367-F390 HydrophobicContact CG1-CD1 4.29Å; I367-F390 HydrophobicContact CG1-CG 4.13Å; F390-S401 VanDerWaalsContact CD1-CB 3.46Å; F390-I404 HydrophobicContact CD1-CD1 4.15Å; F390-I404 HydrophobicContact CE1-CD1 3.98Å; F390-V500 HydrophobicContact CE2-CG1 4.46Å
391	D	90.6	Very high	90	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2.2	-179	49.5	1.6	0	0	0	113.8	S389 A393 L394 G395 T398 S401 V500	S389-D391 VanDerWaalsContact CB-OD1 3.32Å; S389-D391 WeakPolarHBondContact CB-OD1 3.12Å; S389-D391 PolarHBondContact O-N 3.26Å; D391-A393 PolarHBondContact O-N 3.22Å; D391-L394 WeakPolarHBondContact O-CB 3.39Å; D391-L394 PolarHBondContact O-N 3.32Å; D391-G395 PolarHBondContact O-N 2.94Å; D391-T398 WeakPolarHBondContact OD2-CB 3.36Å; D391-T398 WeakPolarHBondContact OD2-CG2 3.33Å; D391-T398 PolarHBondContact OD2-N 2.76Å; D391-T398 VanDerWaalsContact OD2-N 3.15Å; D391-T398 PolarHBondContact OD2-OG1 2.86Å; D391-S401 WeakPolarHBondContact OD1-CB 3.25Å; D391-S401 PolarHBondContact OD1-OG 3.38Å; D391-S401 WeakPolarHBondContact OD2-CB 3.05Å; D391-S401 PolarHBondContact OD2-OG 3.03Å; D391-V500 HydrophobicContact CB-CG1 4.47Å
392	E	88	Confident	89.5	Confident	53 Å²	53	25.7 Å²	25.7	25%	0.248	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.3	-176	-80.3	172.8	-144.3	0	0	115	L358 N388 S389 L394 G395 P397	L358-E392 HydrophobicContact CD1-CB 3.83Å; N388-E392 VanDerWaalsContact CB-OE2 3.3Å; N388-E392 WeakPolarHBondContact CB-OE2 3.49Å; S389-E392 WeakPolarHBondContact CA-OE1 3.43Å; S389-E392 WeakPolarHBondContact CB-OE1 3.18Å; S389-E392 VanDerWaalsContact N-CD 3.27Å; S389-E392 PolarHBondContact N-OE1 3.11Å; S389-E392 PolarHBondContact O-N 3.33Å; S389-E392 VanDerWaalsContact O-N 3.14Å; S389-E392 PolarHBondContact OG-OE1 3.02Å; E392-L394 VanDerWaalsContact C-N 3.25Å; E392-L394 PolarHBondContact O-N 3.25Å; E392-G395 WeakPolarHBondContact CA-O 3.38Å; E392-P397 HydrophobicContact CG-CG 3.7Å; E392-P397 VanDerWaalsContact OE1-CG 3.24Å; E392-P397 WeakPolarHBondContact OE1-CG 3.38Å
393	A	87	Confident	89.1	Confident	18 Å²	18	33.1 Å²	33.1	15%	0.149	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.1	169.7	0	0	0	0	0	113.4	L358 D391	L358-A393 HydrophobicContact CB-CB 4.12Å; D391-A393 PolarHBondContact O-N 3.22Å
394	L	83.4	Confident	89.2	Confident	18 Å²	18	33.7 Å²	33.7	9%	0.094	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-33.3	-177.4	-70.8	152.5	0	0	0	112.6	E360 P363 D391 E392 V500 V502	E360-L394 HydrophobicContact CG-CD2 3.52Å; E360-L394 HydrophobicContact CG-CG 4.13Å; P363-L394 HydrophobicContact CB-CD1 4.4Å; P363-L394 HydrophobicContact CG-CD1 4.28Å; D391-L394 WeakPolarHBondContact O-CB 3.39Å; D391-L394 PolarHBondContact O-N 3.32Å; E392-L394 VanDerWaalsContact C-N 3.25Å; E392-L394 PolarHBondContact O-N 3.25Å; L394-V500 HydrophobicContact CD1-CB 4.01Å; L394-V500 HydrophobicContact CD1-CG1 4.14Å; L394-V500 HydrophobicContact CD1-CG2 4.45Å; L394-V502 HydrophobicContact CB-CG1 4.46Å; L394-V502 HydrophobicContact CB-CG2 3.75Å; L394-V502 HydrophobicContact CD2-CG2 4.42Å; L394-V502 WeakPolarHBondContact O-CG1 3.49Å
395	G	80.3	Confident	89.2	Confident	26 Å²	26	33.2 Å²	33.2	27%	0.268	18%	0.176	S	C	.	.	S	Bend	trans	172.2	-152.2	-179.5	0	0	0	0	0	112.7	D391 E392	D391-G395 PolarHBondContact O-N 2.94Å; E392-G395 WeakPolarHBondContact CA-O 3.38Å
396	L	79.2	Confident	89.1	Confident	52 Å²	52	34.6 Å²	34.6	27%	0.272	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-75.2	148.9	179.7	-66.5	-172.8	0	0	0	112.9	T398 L503 I505	L396-T398 PolarHBondContact O-N 3.19Å; L396-L503 HydrophobicContact CB-CB 4.33Å; L396-L503 HydrophobicContact CB-CD1 4.14Å; L396-I505 HydrophobicContact CD1-CD1 3.8Å; L396-I505 HydrophobicContact CD1-CG1 4.47Å; L396-I505 HydrophobicContact CG-CD1 4.35Å
397	P	82.7	Confident	89.2	Confident	34 Å²	34	37.5 Å²	37.5	22%	0.221	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-56.3	129.5	-179.9	-29.5	36.9	0	0	0	115.3	S389 E392 A402 L503	S389-P397 WeakPolarHBondContact OG-CB 3.3Å; S389-P397 WeakPolarHBondContact OG-CG 3.45Å; E392-P397 HydrophobicContact CG-CG 3.7Å; E392-P397 VanDerWaalsContact OE1-CG 3.24Å; E392-P397 WeakPolarHBondContact OE1-CG 3.38Å; P397-A402 HydrophobicContact CB-CB 4.15Å; P397-L503 WeakPolarHBondContact O-CD1 3.32Å
398	T	82	Confident	89.3	Confident	21 Å²	21	38.3 Å²	38.3	13%	0.129	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-69.8	160.9	164.7	60.7	0	0	0	0	112.1	D391 L396 K400 S401 A402	D391-T398 WeakPolarHBondContact OD2-CB 3.36Å; D391-T398 WeakPolarHBondContact OD2-CG2 3.33Å; D391-T398 PolarHBondContact OD2-N 2.76Å; D391-T398 VanDerWaalsContact OD2-N 3.15Å; D391-T398 PolarHBondContact OD2-OG1 2.86Å; L396-T398 PolarHBondContact O-N 3.19Å; T398-K400 PolarHBondContact O-N 2.92Å; T398-S401 PolarHBondContact N-OG 3.27Å; T398-S401 PolarHBondContact O-N 3.33Å; T398-S401 PolarHBondContact O-OG 3.14Å; T398-S401 VanDerWaalsContact O-OG 3.09Å; T398-S401 WeakPolarHBondContact OG1-CB 3.45Å; T398-S401 PolarHBondContact OG1-N 2.78Å; T398-S401 PolarHBondContact OG1-OG 2.79Å; T398-A402 WeakPolarHBondContact O-CB 3.36Å; T398-A402 PolarHBondContact O-N 2.89Å
399	V	82	Confident	89.4	Confident	129 Å²	129	38.2 Å²	38.2	78%	0.782	20%	0.201	S	C	*	.	H	α-helix	trans	-57.4	-33.2	173.9	178.5	0	0	0	0	111.8	R403	V399-R403 WeakPolarHBondContact O-CB 3.37Å; V399-R403 PolarHBondContact O-N 3.41Å
400	K	89.3	Confident	89.5	Confident	109 Å²	109	40.4 Å²	40.4	47%	0.474	21%	0.212	S	C	.	.	H	α-helix	trans	-68.2	-49.9	176.2	176.5	-175.9	168.2	-167.1	0	111.1	Y364 T398 R403 I404	Y364-K400 PolarHBondContact OH-NZ 2.82Å; T398-K400 PolarHBondContact O-N 2.92Å; K400-R403 PolarHBondContact O-N 2.76Å; K400-I404 HydrophobicContact CG-CD1 4.16Å; K400-I404 WeakPolarHBondContact O-CG1 3.38Å; K400-I404 PolarHBondContact O-N 3.42Å; K400-I404 VanDerWaalsContact O-N 3.1Å
401	S	91.4	Very high	89.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-42.4	-175.7	71.7	0	0	0	0	112.3	S389 F390 D391 T398 R403 I404 A405	S389-S401 WeakPolarHBondContact CB-OG 3Å; F390-S401 VanDerWaalsContact CD1-CB 3.46Å; D391-S401 WeakPolarHBondContact OD1-CB 3.25Å; D391-S401 PolarHBondContact OD1-OG 3.38Å; D391-S401 WeakPolarHBondContact OD2-CB 3.05Å; D391-S401 PolarHBondContact OD2-OG 3.03Å; T398-S401 PolarHBondContact N-OG 3.27Å; T398-S401 PolarHBondContact O-N 3.33Å; T398-S401 PolarHBondContact O-OG 3.14Å; T398-S401 VanDerWaalsContact O-OG 3.09Å; T398-S401 WeakPolarHBondContact OG1-CB 3.45Å; T398-S401 PolarHBondContact OG1-N 2.78Å; T398-S401 PolarHBondContact OG1-OG 2.79Å; S401-R403 PolarHBondContact O-N 3.29Å; S401-I404 WeakPolarHBondContact O-CB 3.28Å; S401-I404 PolarHBondContact O-N 3.15Å; S401-A405 WeakPolarHBondContact O-CB 3.22Å; S401-A405 PolarHBondContact O-N 3.18Å
402	A	87.4	Confident	90.1	Very high	15 Å²	15	44.2 Å²	44.2	12%	0.124	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-33.3	174.4	0	0	0	0	0	112.4	P397 T398 R406	P397-A402 HydrophobicContact CB-CB 4.15Å; T398-A402 WeakPolarHBondContact O-CB 3.36Å; T398-A402 PolarHBondContact O-N 2.89Å; A402-R406 PolarHBondContact O-N 3.18Å; A402-R406 VanDerWaalsContact O-N 3.11Å
403	R	90.7	Very high	90.5	Very high	156 Å²	156	43.5 Å²	43.5	59%	0.589	23%	0.229	S	C	*	.	H	α-helix	trans	-69.6	-43.2	172.1	-171.8	-179.9	73.7	169.4	3.4	111.9	V399 K400 S401 R406 N407	V399-R403 WeakPolarHBondContact O-CB 3.37Å; V399-R403 PolarHBondContact O-N 3.41Å; K400-R403 PolarHBondContact O-N 2.76Å; S401-R403 PolarHBondContact O-N 3.29Å; R403-R406 PolarHBondContact O-N 3.08Å; R403-N407 VanDerWaalsContact O-CB 3.31Å; R403-N407 WeakPolarHBondContact O-CB 3.48Å; R403-N407 VanDerWaalsContact O-CG 3.28Å; R403-N407 PolarHBondContact O-N 2.9Å; R403-N407 PolarHBondContact O-OD1 3.09Å
404	I	95.4	Very high	91.1	Very high	44 Å²	44	49.8 Å²	49.8	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-49.5	176.4	-69.7	165.8	0	0	0	109.8	I367 F390 K400 S401 R406 N407 T408	I367-I404 HydrophobicContact CD1-CD1 4.28Å; I367-I404 HydrophobicContact CD1-CG2 4.11Å; I367-I404 HydrophobicContact CG1-CG2 4.07Å; I367-I404 HydrophobicContact CG2-CG2 4Å; F390-I404 HydrophobicContact CD1-CD1 4.15Å; F390-I404 HydrophobicContact CE1-CD1 3.98Å; K400-I404 HydrophobicContact CG-CD1 4.16Å; K400-I404 WeakPolarHBondContact O-CG1 3.38Å; K400-I404 PolarHBondContact O-N 3.42Å; K400-I404 VanDerWaalsContact O-N 3.1Å; S401-I404 WeakPolarHBondContact O-CB 3.28Å; S401-I404 PolarHBondContact O-N 3.15Å; I404-R406 PolarHBondContact O-N 3.1Å; I404-N407 CarbonylContact O-C 3.47Å; I404-N407 PolarHBondContact O-N 3.02Å; I404-N407 VanDerWaalsContact O-N 3.08Å; I404-T408 PolarHBondContact O-N 3.06Å; I404-T408 PolarHBondContact O-OG1 3.39Å
405	A	94.5	Very high	91.8	Very high	2 Å²	2	56 Å²	56	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-53.5	-51.9	177.1	0	0	0	0	0	112.2	T387 S401 N407 T408	T387-A405 WeakPolarHBondContact O-CB 3.49Å; T387-A405 PolarHBondContact OG1-O 3.18Å; S401-A405 WeakPolarHBondContact O-CB 3.22Å; S401-A405 PolarHBondContact O-N 3.18Å; A405-N407 VanDerWaalsContact C-N 3.34Å; A405-N407 PolarHBondContact O-N 2.84Å; A405-T408 WeakPolarHBondContact O-CB 3.39Å; A405-T408 PolarHBondContact O-N 3.43Å
406	R	93.2	Very high	92.7	Very high	29 Å²	29	57.4 Å²	57.4	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-44.2	175.1	-172.2	-173.8	-60.5	125	2.6	112.2	I107 Q109 N126 A402 R403 I404 T408 Q409 I410	I107-R406 HydrophobicContact CG2-CG 4.31Å; Q109-R406 HydrophobicContact CG-CB 4.45Å; N126-R406 PolarHBondContact ND2-NH2 3.18Å; N126-R406 PolarHBondContact OD1-NH2 2.82Å; A402-R406 PolarHBondContact O-N 3.18Å; A402-R406 VanDerWaalsContact O-N 3.11Å; R403-R406 PolarHBondContact O-N 3.08Å; I404-R406 PolarHBondContact O-N 3.1Å; R406-T408 VanDerWaalsContact C-N 3.3Å; R406-T408 PolarHBondContact O-N 3.1Å; R406-Q409 PolarHBondContact O-N 3.43Å; R406-Q409 VanDerWaalsContact O-N 3.14Å; R406-I410 HydrophobicContact CG-CD1 3.97Å; R406-I410 PolarHBondContact O-N 3.37Å
407	N	95.6	Very high	93.6	Very high	65 Å²	65	56.3 Å²	56.3	35%	0.348	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-29.1	-178.2	-77.3	17.5	0	0	0	112.7	R403 I404 A405 Q409 I410 I411	R403-N407 VanDerWaalsContact O-CB 3.31Å; R403-N407 WeakPolarHBondContact O-CB 3.48Å; R403-N407 VanDerWaalsContact O-CG 3.28Å; R403-N407 PolarHBondContact O-N 2.9Å; R403-N407 PolarHBondContact O-OD1 3.09Å; I404-N407 CarbonylContact O-C 3.47Å; I404-N407 PolarHBondContact O-N 3.02Å; I404-N407 VanDerWaalsContact O-N 3.08Å; A405-N407 VanDerWaalsContact C-N 3.34Å; A405-N407 PolarHBondContact O-N 2.84Å; N407-Q409 PolarHBondContact O-N 2.93Å; N407-I410 PolarHBondContact O-N 2.72Å; N407-I411 WeakPolarHBondContact O-CB 3.39Å; N407-I411 VanDerWaalsContact O-CG1 3.28Å; N407-I411 WeakPolarHBondContact O-CG1 3.45Å; N407-I411 PolarHBondContact O-N 3.43Å
408	T	98.2	Very high	94.3	Very high	18 Å²	18	56.4 Å²	56.4	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-52.2	-45	169.7	-59	0	0	0	0	110.8	A371 A374 T387 I404 A405 R406 I412	A371-T408 HydrophobicContact CB-CG2 3.97Å; A374-T408 HydrophobicContact CB-CG2 4.13Å; T387-T408 HydrophobicContact CG2-CG2 4.45Å; I404-T408 PolarHBondContact O-N 3.06Å; I404-T408 PolarHBondContact O-OG1 3.39Å; A405-T408 WeakPolarHBondContact O-CB 3.39Å; A405-T408 PolarHBondContact O-N 3.43Å; R406-T408 VanDerWaalsContact C-N 3.3Å; R406-T408 PolarHBondContact O-N 3.1Å; T408-I412 HydrophobicContact CG2-CD1 4.36Å; T408-I412 WeakPolarHBondContact O-CD1 3.37Å; T408-I412 VanDerWaalsContact O-CG1 3.24Å; T408-I412 WeakPolarHBondContact O-CG1 3.31Å; T408-I412 PolarHBondContact O-N 2.98Å
409	Q	97.5	Very high	95.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.5	-44	176.7	-59.4	-167.4	43	0	0	112.6	W105 I107 L385 T387 R406 N407 I411 I412 Q413	W105-Q409 HydrophobicContact CZ2-CB 4.18Å; I107-Q409 HydrophobicContact CD1-CB 3.99Å; I107-Q409 HydrophobicContact CG1-CB 4.09Å; L385-Q409 HydrophobicContact CD2-CG 4.05Å; L385-Q409 HydrophobicContact CG-CG 4.47Å; L385-Q409 PolarHBondContact O-NE2 2.88Å; L385-Q409 PolarHBondContact O-OE1 2.99Å; T387-Q409 HydrophobicContact CG2-CG 3.6Å; T387-Q409 PolarHBondContact OG1-NE2 2.85Å; R406-Q409 PolarHBondContact O-N 3.43Å; R406-Q409 VanDerWaalsContact O-N 3.14Å; N407-Q409 PolarHBondContact O-N 2.93Å; Q409-I411 PolarHBondContact O-N 2.96Å; Q409-I412 PolarHBondContact O-N 3.45Å; Q409-Q413 WeakPolarHBondContact O-CG 3.37Å; Q409-Q413 PolarHBondContact O-N 3.47Å
410	I	96.1	Very high	95.9	Very high	48 Å²	48	57.5 Å²	57.5	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-43.7	-178.6	-63.5	171.3	0	0	0	111.1	I107 R406 N407 I412 Q413 E414	I107-I410 HydrophobicContact CD1-CG1 3.68Å; R406-I410 HydrophobicContact CG-CD1 3.97Å; R406-I410 PolarHBondContact O-N 3.37Å; N407-I410 PolarHBondContact O-N 2.72Å; I410-I412 VanDerWaalsContact C-N 3.32Å; I410-I412 PolarHBondContact O-N 2.77Å; I410-Q413 PolarHBondContact O-N 3.36Å; I410-E414 HydrophobicContact CG2-CG 4.36Å; I410-E414 PolarHBondContact O-N 3.01Å
411	I	98.6	Very high	96.4	Very high	80 Å²	80	56.6 Å²	56.6	41%	0.41	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-39.8	177.3	-67.7	165.4	0	0	0	110.8	N407 Q409 Q413 E415 S416	N407-I411 WeakPolarHBondContact O-CB 3.39Å; N407-I411 VanDerWaalsContact O-CG1 3.28Å; N407-I411 WeakPolarHBondContact O-CG1 3.45Å; N407-I411 PolarHBondContact O-N 3.43Å; Q409-I411 PolarHBondContact O-N 2.96Å; I411-Q413 VanDerWaalsContact C-N 3.35Å; I411-E415 HydrophobicContact CG2-CB 4.27Å; I411-E415 WeakPolarHBondContact O-CB 3.45Å; I411-E415 PolarHBondContact O-N 3.12Å; I411-S416 PolarHBondContact O-N 2.73Å
412	I	98.7	Very high	96.7	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-39.1	173.3	-59.5	164.5	0	0	0	110.6	W105 A374 M375 V378 T408 Q409 I410 S416 I418 P419	W105-I412 HydrophobicContact CH2-CB 4.01Å; W105-I412 HydrophobicContact CH2-CG2 3.69Å; W105-I412 HydrophobicContact CZ3-CG2 4.46Å; A374-I412 HydrophobicContact CB-CD1 3.72Å; M375-I412 HydrophobicContact CG-CD1 3.94Å; M375-I412 HydrophobicContact CG-CG1 4.39Å; V378-I412 HydrophobicContact CG1-CG2 4.31Å; V378-I412 HydrophobicContact CG2-CG2 4.32Å; T408-I412 HydrophobicContact CG2-CD1 4.36Å; T408-I412 WeakPolarHBondContact O-CD1 3.37Å; T408-I412 VanDerWaalsContact O-CG1 3.24Å; T408-I412 WeakPolarHBondContact O-CG1 3.31Å; T408-I412 PolarHBondContact O-N 2.98Å; Q409-I412 PolarHBondContact O-N 3.45Å; I410-I412 VanDerWaalsContact C-N 3.32Å; I410-I412 PolarHBondContact O-N 2.77Å; I412-S416 PolarHBondContact O-OG 3.39Å; I412-I418 HydrophobicContact CG2-CB 4.49Å; I412-I418 HydrophobicContact CG2-CD1 4.28Å; I412-P419 WeakPolarHBondContact O-CD 3.43Å
413	Q	98.2	Very high	97.3	Very high	38 Å²	38	57.4 Å²	57.4	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-46.4	178.8	-70.9	-173.3	1.4	0	0	113.5	P104 W105 Q409 I410 I411	P104-Q413 HydrophobicContact CB-CG 3.8Å; P104-Q413 HydrophobicContact CG-CG 4.09Å; W105-Q413 VanDerWaalsContact CE2-NE2 3.26Å; W105-Q413 HydrophobicContact CE3-CG 4.4Å; W105-Q413 HydrophobicContact CH2-CB 4.37Å; W105-Q413 HydrophobicContact CH2-CG 3.27Å; W105-Q413 HydrophobicContact CZ2-CG 3.46Å; W105-Q413 VanDerWaalsContact CZ2-CG 3.46Å; W105-Q413 HydrophobicContact CZ3-CG 3.79Å; W105-Q413 PolarHBondContact O-NE2 3.2Å; Q409-Q413 WeakPolarHBondContact O-CG 3.37Å; Q409-Q413 PolarHBondContact O-N 3.47Å; I410-Q413 PolarHBondContact O-N 3.36Å; I411-Q413 VanDerWaalsContact C-N 3.35Å
414	E	98	Very high	97.7	Very high	150 Å²	150	53 Å²	53	70%	0.701	28%	0.283	S	S	*	.	H	α-helix	trans	-104.3	-33.3	-164.3	-61.2	-168.1	-147.9	0	0	113.7	I410	I410-E414 HydrophobicContact CG2-CG 4.36Å; I410-E414 PolarHBondContact O-N 3.01Å
415	E	98.7	Very high	97.8	Very high	149 Å²	149	54 Å²	54	70%	0.696	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-40.2	-173.8	-60.1	179.8	-153.3	0	0	113.2	I411 G417	I411-E415 HydrophobicContact CG2-CB 4.27Å; I411-E415 WeakPolarHBondContact O-CB 3.45Å; I411-E415 PolarHBondContact O-N 3.12Å; E415-G417 VanDerWaalsContact C-N 3.29Å; E415-G417 PolarHBondContact O-N 2.81Å
416	S	98.7	Very high	98	Very high	54 Å²	54	55 Å²	55	38%	0.378	29%	0.294	S	S	.	.	S	Bend	trans	-69.2	-20.7	-169	81.5	0	0	0	0	115.7	I411 I412 I418	I411-S416 PolarHBondContact O-N 2.73Å; I412-S416 PolarHBondContact O-OG 3.39Å; S416-I418 PolarHBondContact O-N 3.22Å; S416-I418 VanDerWaalsContact O-N 3.14Å; S416-I418 WeakPolarHBondContact OG-CB 3.48Å; S416-I418 WeakPolarHBondContact OG-CG1 3.21Å; S416-I418 PolarHBondContact OG-N 3.31Å; S416-I418 VanDerWaalsContact OG-N 3.14Å
417	G	98.6	Very high	98.2	Very high	30 Å²	30	55.7 Å²	55.7	31%	0.309	31%	0.31	S	S	.	.			trans	72	-9.9	-172.2	0	0	0	0	0	115.8	E415 P419 K420	E415-G417 VanDerWaalsContact C-N 3.29Å; E415-G417 PolarHBondContact O-N 2.81Å; G417-P419 VanDerWaalsContact C-N 3.33Å; G417-K420 WeakPolarHBondContact O-CB 3.41Å; G417-K420 PolarHBondContact O-N 3.35Å
418	I	98.8	Very high	98.4	Very high	35 Å²	35	54.4 Å²	54.4	18%	0.179	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-50.2	-40.8	-179.7	-68.5	168	0	0	0	113.6	M375 V378 F379 I412 S416 K420	M375-I418 HydrophobicContact CE-CD1 4.14Å; V378-I418 HydrophobicContact CG1-CG2 3.73Å; F379-I418 HydrophobicContact CD1-CG2 4.03Å; F379-I418 HydrophobicContact CE1-CB 4.44Å; F379-I418 HydrophobicContact CE1-CD1 4.3Å; F379-I418 HydrophobicContact CE1-CG1 4.13Å; F379-I418 HydrophobicContact CE1-CG2 3.55Å; F379-I418 HydrophobicContact CE2-CD1 4.22Å; F379-I418 HydrophobicContact CZ-CD1 3.66Å; F379-I418 HydrophobicContact CZ-CG1 3.9Å; F379-I418 HydrophobicContact CZ-CG2 4.03Å; I412-I418 HydrophobicContact CG2-CB 4.49Å; I412-I418 HydrophobicContact CG2-CD1 4.28Å; S416-I418 PolarHBondContact O-N 3.22Å; S416-I418 VanDerWaalsContact O-N 3.14Å; S416-I418 WeakPolarHBondContact OG-CB 3.48Å; S416-I418 WeakPolarHBondContact OG-CG1 3.21Å; S416-I418 PolarHBondContact OG-N 3.31Å; S416-I418 VanDerWaalsContact OG-N 3.14Å; I418-K420 PolarHBondContact O-N 3.12Å
419	P	98.8	Very high	98.4	Very high	10 Å²	10	58.4 Å²	58.4	7%	0.065	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.2	-14.9	179.7	-26.8	36.6	0	0	0	116	Y100 T101 W105 I412 G417 V421	Y100-P419 CarbonylContact C-O 3.56Å; T101-P419 WeakPolarHBondContact CA-O 3.41Å; T101-P419 PolarHBondContact N-O 3.14Å; W105-P419 HydrophobicContact CZ3-CG 4.27Å; I412-P419 WeakPolarHBondContact O-CD 3.43Å; G417-P419 VanDerWaalsContact C-N 3.33Å; P419-V421 VanDerWaalsContact C-N 3.31Å; P419-V421 PolarHBondContact O-N 2.94Å
420	K	98.6	Very high	98.5	Very high	164 Å²	164	59.8 Å²	59.8	71%	0.713	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-80	-6.8	-169.4	-63.1	-178.9	179.7	174.8	0	114.5	T101 G417 I418	T101-K420 WeakPolarHBondContact CG2-O 3.44Å; G417-K420 WeakPolarHBondContact O-CB 3.41Å; G417-K420 PolarHBondContact O-N 3.35Å; I418-K420 PolarHBondContact O-N 3.12Å
421	V	98.8	Very high	98.6	Very high	90 Å²	90	57.5 Å²	57.5	55%	0.545	32%	0.315	S	S	.	.	S	Bend	trans	-130.7	128.4	176.1	-178.4	0	0	0	0	109.6	P419 P424	P419-V421 VanDerWaalsContact C-N 3.31Å; P419-V421 PolarHBondContact O-N 2.94Å; V421-P424 HydrophobicContact CB-CB 4.28Å; V421-P424 HydrophobicContact CG1-CB 4.08Å
422	A	98.8	Very high	98.6	Very high	22 Å²	22	54.1 Å²	54.1	18%	0.182	30%	0.298	C	S	.	.	S	Bend	trans	-79.3	130.5	177.5	0	0	0	0	0	111.3	P86 M99	P86-A422 HydrophobicContact CG-CB 4.18Å; M99-A422 HydrophobicContact CB-CB 3.93Å; M99-A422 HydrophobicContact CG-CB 4.07Å
423	D	98.7	Very high	98.6	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.053	30%	0.295	C	S	.	.	S	Bend	trans	42.4	64.4	-175	-171.3	63	0	0	0	112.7	R93 R323 W425 G426	R93-D423 HydrophobicContact CB-CB 3.77Å; R93-D423 HydrophobicContact CG-CB 4.39Å; R93-D423 VanDerWaalsContact CG-OD2 3.3Å; R93-D423 WeakPolarHBondContact CG-OD2 3.16Å; R93-D423 IonicContact CZ-OD2 2.72Å; R93-D423 IonicContact NE-OD2 2.75Å; R93-D423 PolarHBondContact NE-OD2 3.2Å; R93-D423 PolarHBondContact NH2-O 3.03Å; R93-D423 IonicContact NH2-OD2 3.75Å; R93-D423 WeakPolarHBondContact O-CB 3.46Å; R323-D423 IonicContact CZ-OD1 2.79Å; R323-D423 IonicContact CZ-OD2 3.68Å; R323-D423 IonicContact NE-OD1 3.48Å; R323-D423 PolarHBondContact NE-OD1 3.4Å; R323-D423 IonicContact NE-OD2 3.51Å; R323-D423 IonicContact NH2-OD1 2.71Å; R323-D423 IonicContact NH2-OD2 3.9Å; R323-D423 PolarHBondContact NH2-OD2 2.92Å; D423-W425 PolarHBondContact O-N 2.91Å; D423-W425 VanDerWaalsContact O-N 3.1Å; D423-G426 PolarHBondContact O-N 3.44Å; D423-G426 VanDerWaalsContact OD2-CA 3.24Å; D423-G426 WeakPolarHBondContact OD2-CA 3.47Å; D423-G426 PolarHBondContact OD2-N 2.75Å
424	P	98.7	Very high	98.6	Very high	64 Å²	64	51.9 Å²	51.9	42%	0.416	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.6	-172.6	29.3	-36.4	0	0	0	113.4	F379 V421	F379-P424 HydrophobicContact CD1-CG 3.6Å; F379-P424 HydrophobicContact CE1-CG 3.78Å; V421-P424 HydrophobicContact CB-CB 4.28Å; V421-P424 HydrophobicContact CG1-CB 4.08Å
425	W	98.8	Very high	98.6	Very high	65 Å²	65	44.7 Å²	44.7	25%	0.246	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.7	171.8	-74.1	95.6	0	0	0	114	F315 Y316 F379 D423 G427 S428 M431	F315-W425 AromaticContact CE1-CZ2 3.91Å; F315-W425 HydrophobicContact CE1-CZ2 3.91Å; F315-W425 HydrophobicContact CZ-CZ2 4.39Å; Y316-W425 HydrophobicContact CE1-CH2 4.02Å; F379-W425 AromaticContact CD1-CD1 3.73Å; F379-W425 AromaticContact CD1-NE1 3.59Å; F379-W425 AromaticContact CD2-NE1 3.72Å; F379-W425 AromaticContact CG-CD1 3.75Å; F379-W425 AromaticContact CG-NE1 3.43Å; D423-W425 PolarHBondContact O-N 2.91Å; D423-W425 VanDerWaalsContact O-N 3.1Å; W425-G427 PolarHBondContact O-N 2.83Å; W425-S428 WeakPolarHBondContact O-CB 3.27Å; W425-S428 PolarHBondContact O-N 2.85Å; W425-M431 HydrophobicContact CB-CB 4.37Å; W425-M431 HydrophobicContact CB-CG 4Å; W425-M431 HydrophobicContact CD2-CE 4.18Å; W425-M431 HydrophobicContact CE3-CB 4.29Å; W425-M431 HydrophobicContact CE3-CE 4.13Å
426	G	98.3	Very high	98.6	Very high	23 Å²	23	38.5 Å²	38.5	24%	0.237	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	127.8	-177.7	0	0	0	0	0	112.3	D423 E432	D423-G426 PolarHBondContact O-N 3.44Å; D423-G426 VanDerWaalsContact OD2-CA 3.24Å; D423-G426 WeakPolarHBondContact OD2-CA 3.47Å; D423-G426 PolarHBondContact OD2-N 2.75Å; G426-E432 VanDerWaalsContact CA-OE1 3.26Å; G426-E432 WeakPolarHBondContact CA-OE1 3.37Å
427	G	98.1	Very high	98.6	Very high	43 Å²	43	36.5 Å²	36.5	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-2.2	-170.7	0	0	0	0	0	115.3	W425 Y429 E432	W425-G427 PolarHBondContact O-N 2.83Å; G427-Y429 PolarHBondContact O-N 3.37Å; G427-E432 PolarHBondContact N-OE1 3.4Å
428	S	98.7	Very high	98.6	Very high	37 Å²	37	35.1 Å²	35.1	26%	0.259	20%	0.196	S	C	.	.			trans	-67.5	121.5	169.6	174.4	0	0	0	0	110.5	W425 M430 M431 E432	W425-S428 WeakPolarHBondContact O-CB 3.27Å; W425-S428 PolarHBondContact O-N 2.85Å; S428-M430 PolarHBondContact O-N 2.71Å; S428-M430 VanDerWaalsContact O-N 3.15Å; S428-M431 PolarHBondContact O-N 3.23Å; S428-M431 VanDerWaalsContact O-N 3.1Å; S428-E432 WeakPolarHBondContact O-CG 3.32Å; S428-E432 PolarHBondContact O-N 3.06Å
429	Y	98.4	Very high	98.6	Very high	102 Å²	102	34.4 Å²	34.4	40%	0.4	19%	0.191	S	C	.	.	H	α-helix	trans	-53.9	-40.6	-173.7	-48	-44	0	0	0	113.3	S74 K75 T78 G427 C433	S74-Y429 VanDerWaalsContact C-CD2 3.48Å; S74-Y429 VanDerWaalsContact C-CG 3.46Å; S74-Y429 VanDerWaalsContact CA-CD2 3.46Å; K75-Y429 HydrophobicContact CB-CE1 4.19Å; T78-Y429 HydrophobicContact CG2-CD1 4.43Å; G427-Y429 PolarHBondContact O-N 3.37Å; Y429-C433 PolarHBondContact O-N 3.22Å; Y429-C433 PolarHBondContact O-SG 2.86Å
430	M	98.7	Very high	98.6	Very high	29 Å²	29	35.8 Å²	35.8	14%	0.143	20%	0.198	C	C	.	.	H	α-helix	trans	-73.4	-47.9	177.8	-179.5	-82.8	-73.4	0	0	111.6	Y73 Y316 S428 E432 C433 L434	Y73-M430 HydrophobicContact CD2-CB 3.49Å; Y73-M430 VanDerWaalsContact CD2-CB 3.49Å; Y73-M430 HydrophobicContact CD2-CG 3.55Å; Y73-M430 HydrophobicContact CE2-CB 4.01Å; Y73-M430 HydrophobicContact CE2-CG 3.53Å; Y73-M430 HydrophobicContact CG-CB 3.83Å; Y73-M430 HydrophobicContact CG-CG 4.3Å; Y316-M430 HydrophobicContact CD1-CE 3.47Å; Y316-M430 VanDerWaalsContact CD1-CE 3.47Å; Y316-M430 HydrophobicContact CD2-CE 3.83Å; Y316-M430 HydrophobicContact CE1-CE 3.81Å; Y316-M430 HydrophobicContact CE2-CE 4.13Å; Y316-M430 HydrophobicContact CG-CE 3.5Å; Y316-M430 VanDerWaalsContact CG-CE 3.5Å; Y316-M430 HydrophobicContact CG-SD 4.43Å; S428-M430 PolarHBondContact O-N 2.71Å; S428-M430 VanDerWaalsContact O-N 3.15Å; M430-E432 VanDerWaalsContact C-N 3.32Å; M430-E432 PolarHBondContact O-N 3.29Å; M430-C433 PolarHBondContact O-N 3.11Å; M430-L434 WeakPolarHBondContact O-CB 3.45Å; M430-L434 PolarHBondContact O-N 3.26Å; M430-L434 HydrophobicContact SD-CB 4.29Å; M430-L434 HydrophobicContact SD-CD2 4.06Å
431	M	98.8	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-173.5	-169.5	58.5	64.5	0	0	112	Y316 I319 A320 W425 S428 T435	Y316-M431 HydrophobicContact CD1-CE 4Å; I319-M431 HydrophobicContact CB-CE 3.86Å; I319-M431 HydrophobicContact CB-SD 3.89Å; I319-M431 HydrophobicContact CD1-CE 4.11Å; I319-M431 HydrophobicContact CG2-CE 3.78Å; I319-M431 HydrophobicContact CG2-CG 4.2Å; I319-M431 HydrophobicContact CG2-SD 3.57Å; I319-M431 VanDerWaalsContact CG2-SD 3.57Å; A320-M431 HydrophobicContact CB-SD 4.09Å; W425-M431 HydrophobicContact CB-CB 4.37Å; W425-M431 HydrophobicContact CB-CG 4Å; W425-M431 HydrophobicContact CD2-CE 4.18Å; W425-M431 HydrophobicContact CE3-CB 4.29Å; W425-M431 HydrophobicContact CE3-CE 4.13Å; S428-M431 PolarHBondContact O-N 3.23Å; S428-M431 VanDerWaalsContact O-N 3.1Å; M431-T435 VanDerWaalsContact O-CB 3.23Å; M431-T435 WeakPolarHBondContact O-CB 3.18Å; M431-T435 PolarHBondContact O-N 2.84Å; M431-T435 PolarHBondContact O-OG1 2.92Å
432	E	98.6	Very high	98.6	Very high	10 Å²	10	25 Å²	25	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-72.1	-40.9	178.7	-60.9	-67.4	-174.7	0	0	112.1	T78 L81 R323 G426 G427 S428 M430 T435 N436	T78-E432 HydrophobicContact CG2-CB 4Å; L81-E432 HydrophobicContact CD1-CB 4.16Å; L81-E432 HydrophobicContact CD2-CB 3.78Å; L81-E432 HydrophobicContact CD2-CG 3.54Å; R323-E432 IonicContact CZ-OE1 2.82Å; R323-E432 IonicContact CZ-OE2 3.66Å; R323-E432 IonicContact NH1-OE1 3.75Å; R323-E432 IonicContact NH1-OE2 2.97Å; R323-E432 PolarHBondContact NH1-OE2 3.03Å; R323-E432 VanDerWaalsContact NH2-CD 3.33Å; R323-E432 IonicContact NH2-OE1 3.14Å; R323-E432 PolarHBondContact NH2-OE1 3.1Å; R323-E432 IonicContact NH2-OE2 3.99Å; R323-E432 PolarHBondContact NH2-OE2 3.19Å; G426-E432 VanDerWaalsContact CA-OE1 3.26Å; G426-E432 WeakPolarHBondContact CA-OE1 3.37Å; G427-E432 PolarHBondContact N-OE1 3.4Å; S428-E432 WeakPolarHBondContact O-CG 3.32Å; S428-E432 PolarHBondContact O-N 3.06Å; M430-E432 VanDerWaalsContact C-N 3.32Å; M430-E432 PolarHBondContact O-N 3.29Å; E432-T435 PolarHBondContact O-N 3.05Å; E432-N436 PolarHBondContact O-N 3.18Å; E432-N436 PolarHBondContact O-ND2 3.34Å; E432-N436 PolarHBondContact O-OD1 2.89Å
433	C	98.4	Very high	98.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-49.8	170.5	-76.4	0	0	0	0	111.7	H34 Y73 D77 Y429 M430 T435 N436 D437	H34-C433 PolarHBondContact NE2-SG 3.02Å; H34-C433 VanDerWaalsContact NE2-SG 3.42Å; Y73-C433 HydrophobicContact CD1-CB 3.75Å; Y73-C433 HydrophobicContact CE1-CB 3.42Å; Y73-C433 VanDerWaalsContact CE1-CB 3.42Å; D77-C433 PolarHBondContact O-SG 3.21Å; D77-C433 VanDerWaalsContact O-SG 3.39Å; Y429-C433 PolarHBondContact O-N 3.22Å; Y429-C433 PolarHBondContact O-SG 2.86Å; M430-C433 PolarHBondContact O-N 3.11Å; C433-T435 VanDerWaalsContact C-N 3.28Å; C433-T435 PolarHBondContact O-N 3.31Å; C433-N436 CarbonylContact O-C 3.43Å; C433-N436 WeakPolarHBondContact O-CA 3.32Å; C433-N436 WeakPolarHBondContact O-CB 3.39Å; C433-N436 PolarHBondContact O-N 3.15Å; C433-D437 PolarHBondContact O-N 3.24Å
434	L	98.6	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-37.9	179	-172.8	58.7	0	0	0	111.8	I67 I69 M317 A320 M430 N436 D437 V438	I67-L434 HydrophobicContact CD1-CD1 4.47Å; I67-L434 HydrophobicContact CG2-CD1 3.85Å; I69-L434 HydrophobicContact CD1-CD1 3.89Å; I69-L434 HydrophobicContact CD1-CD2 3.95Å; I69-L434 HydrophobicContact CG1-CD1 3.96Å; M317-L434 HydrophobicContact CE-CD1 3.92Å; M317-L434 HydrophobicContact SD-CD1 4.02Å; M317-L434 HydrophobicContact SD-CG 4.45Å; A320-L434 HydrophobicContact CB-CB 4.18Å; A320-L434 HydrophobicContact CB-CD2 3.91Å; A320-L434 HydrophobicContact CB-CG 3.62Å; M430-L434 WeakPolarHBondContact O-CB 3.45Å; M430-L434 PolarHBondContact O-N 3.26Å; M430-L434 HydrophobicContact SD-CB 4.29Å; M430-L434 HydrophobicContact SD-CD2 4.06Å; L434-N436 VanDerWaalsContact C-N 3.28Å; L434-N436 PolarHBondContact O-N 3.28Å; L434-D437 PolarHBondContact O-N 3.02Å; L434-V438 HydrophobicContact CD1-CG2 4.28Å; L434-V438 HydrophobicContact CG-CG2 4.44Å; L434-V438 WeakPolarHBondContact O-CB 3.49Å; L434-V438 WeakPolarHBondContact O-CG2 3.41Å; L434-V438 PolarHBondContact O-N 3.16Å
435	T	98.8	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-33.1	172.6	-59.5	0	0	0	0	112	T92 R323 A324 M431 E432 C433 Y439	T92-T435 HydrophobicContact CG2-CG2 3.84Å; R323-T435 HydrophobicContact CB-CG2 3.67Å; R323-T435 PolarHBondContact NH1-OG1 3.18Å; A324-T435 HydrophobicContact CB-CG2 4.17Å; M431-T435 VanDerWaalsContact O-CB 3.23Å; M431-T435 WeakPolarHBondContact O-CB 3.18Å; M431-T435 PolarHBondContact O-N 2.84Å; M431-T435 PolarHBondContact O-OG1 2.92Å; E432-T435 PolarHBondContact O-N 3.05Å; C433-T435 VanDerWaalsContact C-N 3.28Å; C433-T435 PolarHBondContact O-N 3.31Å; T435-Y439 VanDerWaalsContact O-CB 3.23Å; T435-Y439 WeakPolarHBondContact O-CB 3.39Å; T435-Y439 PolarHBondContact O-N 2.79Å
436	N	98.4	Very high	98.5	Very high	18 Å²	18	27.4 Å²	27.4	10%	0.096	15%	0.153	C	C	.	.	H	α-helix	trans	-74.1	-46.7	174	-62	-25.1	0	0	0	111.6	H34 R327 E432 C433 L434 V438 Y439 D440	H34-N436 HydrophobicContact CB-CB 3.98Å; R327-N436 PolarHBondContact NH1-OD1 3.49Å; E432-N436 PolarHBondContact O-N 3.18Å; E432-N436 PolarHBondContact O-ND2 3.34Å; E432-N436 PolarHBondContact O-OD1 2.89Å; C433-N436 CarbonylContact O-C 3.43Å; C433-N436 WeakPolarHBondContact O-CA 3.32Å; C433-N436 WeakPolarHBondContact O-CB 3.39Å; C433-N436 PolarHBondContact O-N 3.15Å; L434-N436 VanDerWaalsContact C-N 3.28Å; L434-N436 PolarHBondContact O-N 3.28Å; N436-V438 VanDerWaalsContact C-N 3.35Å; N436-V438 PolarHBondContact O-N 2.97Å; N436-Y439 WeakPolarHBondContact O-CB 3.04Å; N436-Y439 PolarHBondContact O-N 3.43Å; N436-D440 PolarHBondContact O-N 3.02Å
437	D	98.2	Very high	98.5	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.07	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-45.1	179.1	-67.5	-46.9	0	0	0	111.2	H34 Q36 I67 C433 L434 D440 A441	H34-D437 IonicContact CD2-OD1 3.71Å; Q36-D437 PolarHBondContact NE2-OD1 3.04Å; I67-D437 HydrophobicContact CD1-CB 3.98Å; I67-D437 HydrophobicContact CG1-CB 4.37Å; I67-D437 HydrophobicContact CG2-CB 3.96Å; C433-D437 PolarHBondContact O-N 3.24Å; L434-D437 PolarHBondContact O-N 3.02Å; D437-D440 PolarHBondContact O-N 3.46Å; D437-A441 VanDerWaalsContact O-CB 3.28Å; D437-A441 WeakPolarHBondContact O-CB 3.34Å; D437-A441 PolarHBondContact O-N 3Å
438	V	98.8	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-41.3	175.3	171.6	0	0	0	0	111.8	I67 I274 L277 M317 A320 A324 L434 N436 A442	I67-V438 HydrophobicContact CD1-CB 4.34Å; I67-V438 HydrophobicContact CD1-CG2 3.56Å; I274-V438 HydrophobicContact CD1-CB 4.14Å; I274-V438 HydrophobicContact CD1-CG1 3.86Å; I274-V438 HydrophobicContact CD1-CG2 3.98Å; L277-V438 HydrophobicContact CD2-CG1 3.67Å; M317-V438 HydrophobicContact SD-CG2 3.47Å; M317-V438 WeakPolarHBondContact SD-CG2 3.36Å; A320-V438 HydrophobicContact CB-CG2 4.16Å; A324-V438 HydrophobicContact CB-CB 4.12Å; A324-V438 HydrophobicContact CB-CG1 3.72Å; L434-V438 HydrophobicContact CD1-CG2 4.28Å; L434-V438 HydrophobicContact CG-CG2 4.44Å; L434-V438 WeakPolarHBondContact O-CB 3.49Å; L434-V438 WeakPolarHBondContact O-CG2 3.41Å; L434-V438 PolarHBondContact O-N 3.16Å; N436-V438 VanDerWaalsContact C-N 3.35Å; N436-V438 PolarHBondContact O-N 2.97Å; V438-A442 WeakPolarHBondContact O-CB 3.12Å; V438-A442 PolarHBondContact O-N 2.82Å
439	Y	98.7	Very high	98.5	Very high	20 Å²	20	30.3 Å²	30.3	8%	0.078	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-47.8	176.3	171	-77.3	0	0	0	111.4	R327 L328 H331 T435 N436 L443	R327-Y439 HydrophobicContact CB-CD2 4.08Å; R327-Y439 HydrophobicContact CB-CE2 4.28Å; R327-Y439 HydrophobicContact CG-CD2 3.87Å; R327-Y439 HydrophobicContact CG-CE2 3.75Å; L328-Y439 HydrophobicContact CB-CD2 3.81Å; L328-Y439 HydrophobicContact CB-CE2 3.86Å; L328-Y439 HydrophobicContact CD1-CD2 4.27Å; L328-Y439 HydrophobicContact CD1-CE2 3.83Å; L328-Y439 HydrophobicContact CG-CD2 4.49Å; L328-Y439 HydrophobicContact CG-CE2 4.41Å; H331-Y439 AromaticContact ND1-CE2 3.54Å; H331-Y439 AromaticContact ND1-CZ 3.53Å; H331-Y439 PolarHBondContact ND1-OH 3.44Å; T435-Y439 VanDerWaalsContact O-CB 3.23Å; T435-Y439 WeakPolarHBondContact O-CB 3.39Å; T435-Y439 PolarHBondContact O-N 2.79Å; N436-Y439 WeakPolarHBondContact O-CB 3.04Å; N436-Y439 PolarHBondContact O-N 3.43Å; Y439-L443 HydrophobicContact CE1-CD2 3.73Å; Y439-L443 WeakPolarHBondContact O-CB 3.44Å; Y439-L443 PolarHBondContact O-N 3.42Å
440	D	98.3	Very high	98.5	Very high	39 Å²	39	28 Å²	28	21%	0.209	14%	0.14	C	C	.	.	H	α-helix	trans	-68.4	-40.4	-177	-79	-12.1	0	0	0	110.9	L33 H34 N436 D437 K444	L33-D440 HydrophobicContact CD2-CB 4.17Å; H34-D440 PolarHBondContact N-OD2 3.42Å; N436-D440 PolarHBondContact O-N 3.02Å; D437-D440 PolarHBondContact O-N 3.46Å; D440-K444 PolarHBondContact O-N 3.08Å; D440-K444 VanDerWaalsContact O-N 3.08Å
441	A	98.3	Very high	98.4	Very high	29 Å²	29	34.9 Å²	34.9	24%	0.24	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-46.8	176.2	0	0	0	0	0	112.6	I274 D437 K444 L445	I274-A441 HydrophobicContact CD1-CB 4.21Å; I274-A441 HydrophobicContact CG1-CB 4.41Å; I274-A441 HydrophobicContact CG2-CB 3.79Å; D437-A441 VanDerWaalsContact O-CB 3.28Å; D437-A441 WeakPolarHBondContact O-CB 3.34Å; D437-A441 PolarHBondContact O-N 3Å; A441-K444 WeakPolarHBondContact O-CB 3.34Å; A441-K444 PolarHBondContact O-N 3.18Å; A441-L445 PolarHBondContact O-N 3.45Å
442	A	98.7	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.2	-39.5	178.5	0	0	0	0	0	112.2	I274 L277 A278 L328 V438 K444 L445 I446	I274-A442 HydrophobicContact CG2-CB 4.26Å; L277-A442 HydrophobicContact CB-CB 4.19Å; L277-A442 HydrophobicContact CD2-CB 3.72Å; L277-A442 HydrophobicContact CG-CB 3.88Å; A278-A442 HydrophobicContact CB-CB 4.33Å; L328-A442 HydrophobicContact CD2-CB 3.74Å; V438-A442 WeakPolarHBondContact O-CB 3.12Å; V438-A442 PolarHBondContact O-N 2.82Å; A442-K444 VanDerWaalsContact C-N 3.28Å; A442-K444 PolarHBondContact O-N 3.43Å; A442-L445 PolarHBondContact O-N 3.29Å; A442-I446 WeakPolarHBondContact O-CG1 3.38Å; A442-I446 PolarHBondContact O-N 2.81Å
443	L	98.6	Very high	98.1	Very high	39 Å²	39	39.3 Å²	39.3	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-37.7	175.2	175.9	58.6	0	0	0	111.8	L328 L332 Y439 I446 N447	L328-L443 HydrophobicContact CD1-CB 3.84Å; L328-L443 HydrophobicContact CD1-CD1 3.85Å; L328-L443 HydrophobicContact CD1-CG 4.29Å; L332-L443 HydrophobicContact CD2-CD1 4.46Å; Y439-L443 HydrophobicContact CE1-CD2 3.73Å; Y439-L443 WeakPolarHBondContact O-CB 3.44Å; Y439-L443 PolarHBondContact O-N 3.42Å; L443-I446 PolarHBondContact O-N 2.54Å; L443-N447 PolarHBondContact O-N 2.63Å; L443-N447 PolarHBondContact O-ND2 3.19Å
444	K	98.4	Very high	97.9	Very high	133 Å²	133	39.3 Å²	39.3	58%	0.578	21%	0.208	S	C	*	.	H	α-helix	trans	-57.3	-52.6	174.9	-174.7	-171.8	172	-159.7	0	111.2	D440 A441 A442 I446 N447 E448	D440-K444 PolarHBondContact O-N 3.08Å; D440-K444 VanDerWaalsContact O-N 3.08Å; A441-K444 WeakPolarHBondContact O-CB 3.34Å; A441-K444 PolarHBondContact O-N 3.18Å; A442-K444 VanDerWaalsContact C-N 3.28Å; A442-K444 PolarHBondContact O-N 3.43Å; K444-I446 PolarHBondContact O-N 3.05Å; K444-N447 PolarHBondContact O-N 3.33Å; K444-E448 WeakPolarHBondContact CE-OE1 3.49Å; K444-E448 IonicContact NZ-OE1 2.7Å; K444-E448 PolarHBondContact O-N 2.9Å; K444-E448 VanDerWaalsContact O-N 3.14Å
445	L	98.3	Very high	97.9	Very high	37 Å²	37	39.3 Å²	39.3	19%	0.194	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-38.5	179.3	-63	-176	0	0	0	112.7	I274 L275 A278 A441 A442 N447 E448 I449	I274-L445 HydrophobicContact CG2-CD1 3.93Å; L275-L445 HydrophobicContact CD2-CD1 3.85Å; A278-L445 HydrophobicContact CB-CB 3.66Å; A278-L445 HydrophobicContact CB-CD1 3.99Å; A278-L445 HydrophobicContact CB-CG 4.45Å; A441-L445 PolarHBondContact O-N 3.45Å; A442-L445 PolarHBondContact O-N 3.29Å; L445-N447 VanDerWaalsContact C-N 3.33Å; L445-N447 PolarHBondContact O-N 2.75Å; L445-E448 PolarHBondContact O-N 2.75Å; L445-I449 WeakPolarHBondContact O-CD1 3.42Å; L445-I449 VanDerWaalsContact O-CG1 3.3Å; L445-I449 WeakPolarHBondContact O-CG1 3.18Å; L445-I449 PolarHBondContact O-N 3.29Å
446	I	98.6	Very high	97.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-40.2	175.7	-67	172.1	0	0	0	111.2	A278 L281 L285 L328 L332 A442 L443 K444 E448 I449 E450	A278-I446 HydrophobicContact CB-CG1 4.06Å; A278-I446 WeakPolarHBondContact O-CG1 3.31Å; L281-I446 HydrophobicContact CB-CD1 3.78Å; L281-I446 HydrophobicContact CD1-CD1 4.25Å; L285-I446 HydrophobicContact CD1-CG2 4.03Å; L328-I446 HydrophobicContact CD2-CD1 3.83Å; L328-I446 HydrophobicContact CG-CD1 4.15Å; L332-I446 HydrophobicContact CD1-CD1 3.81Å; L332-I446 HydrophobicContact CD1-CG2 4.33Å; L332-I446 HydrophobicContact CD2-CG2 4.11Å; A442-I446 WeakPolarHBondContact O-CG1 3.38Å; A442-I446 PolarHBondContact O-N 2.81Å; L443-I446 PolarHBondContact O-N 2.54Å; K444-I446 PolarHBondContact O-N 3.05Å; I446-E448 VanDerWaalsContact C-N 3.35Å; I446-I449 PolarHBondContact O-N 3.14Å; I446-E450 HydrophobicContact CG2-CG 4.43Å; I446-E450 WeakPolarHBondContact O-CG 3.37Å; I446-E450 PolarHBondContact O-N 2.84Å
447	N	98.4	Very high	97.3	Very high	73 Å²	73	44.7 Å²	44.7	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-38.5	175.8	-67.6	-53.6	0	0	0	111.8	L443 K444 L445 I449 E450 E451	L443-N447 PolarHBondContact O-N 2.63Å; L443-N447 PolarHBondContact O-ND2 3.19Å; K444-N447 PolarHBondContact O-N 3.33Å; L445-N447 VanDerWaalsContact C-N 3.33Å; L445-N447 PolarHBondContact O-N 2.75Å; N447-I449 VanDerWaalsContact C-N 3.32Å; N447-I449 PolarHBondContact O-N 3.1Å; N447-E450 PolarHBondContact O-N 3.19Å; N447-E451 WeakPolarHBondContact O-CB 3.45Å; N447-E451 PolarHBondContact O-N 2.9Å
448	E	97.9	Very high	97.1	Very high	85 Å²	85	44.1 Å²	44.1	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-38	174.7	-67.2	170.7	-166.1	0	0	111.6	K444 L445 I446 M452	K444-E448 WeakPolarHBondContact CE-OE1 3.49Å; K444-E448 IonicContact NZ-OE1 2.7Å; K444-E448 PolarHBondContact O-N 2.9Å; K444-E448 VanDerWaalsContact O-N 3.14Å; L445-E448 PolarHBondContact O-N 2.75Å; I446-E448 VanDerWaalsContact C-N 3.35Å; E448-M452 WeakPolarHBondContact O-CE 3.36Å; E448-M452 PolarHBondContact O-N 3.43Å; E448-M452 VanDerWaalsContact O-N 3.13Å
449	I	98.1	Very high	96.8	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-43.5	175.8	-65.8	159	0	0	0	112	Y279 A282 L445 I446 N447 E451 M452 G453 G454 M455 A458	Y279-I449 HydrophobicContact CD1-CD1 3.61Å; Y279-I449 HydrophobicContact CE1-CD1 3.8Å; A282-I449 HydrophobicContact CB-CD1 3.91Å; A282-I449 HydrophobicContact CB-CG2 4Å; L445-I449 WeakPolarHBondContact O-CD1 3.42Å; L445-I449 VanDerWaalsContact O-CG1 3.3Å; L445-I449 WeakPolarHBondContact O-CG1 3.18Å; L445-I449 PolarHBondContact O-N 3.29Å; I446-I449 PolarHBondContact O-N 3.14Å; N447-I449 VanDerWaalsContact C-N 3.32Å; N447-I449 PolarHBondContact O-N 3.1Å; I449-E451 VanDerWaalsContact C-N 3.32Å; I449-E451 PolarHBondContact O-N 2.59Å; I449-M452 WeakPolarHBondContact O-CG 3.37Å; I449-M452 PolarHBondContact O-N 2.96Å; I449-G453 PolarHBondContact O-N 3.18Å; I449-G454 PolarHBondContact O-N 2.69Å; I449-M455 HydrophobicContact CD1-SD 3.94Å; I449-M455 HydrophobicContact CG1-SD 4.3Å; I449-M455 HydrophobicContact CG2-CB 4.03Å; I449-M455 HydrophobicContact CG2-CG 4.48Å; I449-M455 HydrophobicContact CG2-SD 3.75Å; I449-A458 HydrophobicContact CG2-CB 4.31Å
450	E	98.1	Very high	96.4	Very high	54 Å²	54	47.5 Å²	47.5	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-68	-33.8	176.7	-69	-70.8	113.9	0	0	111.4	L285 R289 M336 I446 N447 G453	L285-E450 HydrophobicContact CD1-CG 4.42Å; R289-E450 IonicContact CZ-OE1 2.67Å; R289-E450 VanDerWaalsContact CZ-OE1 3.3Å; R289-E450 IonicContact CZ-OE2 3.46Å; R289-E450 VanDerWaalsContact NH1-CD 3.26Å; R289-E450 IonicContact NH1-OE1 3.53Å; R289-E450 PolarHBondContact NH1-OE1 2.99Å; R289-E450 IonicContact NH1-OE2 3.53Å; R289-E450 PolarHBondContact NH1-OE2 3.35Å; R289-E450 IonicContact NH2-OE1 2.64Å; R289-E450 PolarHBondContact NH2-OE1 3.11Å; R289-E450 IonicContact NH2-OE2 2.77Å; M336-E450 WeakPolarHBondContact CE-OE2 3.36Å; I446-E450 HydrophobicContact CG2-CG 4.43Å; I446-E450 WeakPolarHBondContact O-CG 3.37Å; I446-E450 PolarHBondContact O-N 2.84Å; N447-E450 PolarHBondContact O-N 3.19Å; E450-G453 PolarHBondContact O-N 2.77Å
451	E	97.5	Very high	96	Very high	174 Å²	174	49.2 Å²	49.2	81%	0.813	27%	0.27	S	S	*	.	H	α-helix	trans	-67	-38.1	175.2	-175.2	170.1	-168.1	0	0	112.9	N447 I449 G453	N447-E451 WeakPolarHBondContact O-CB 3.45Å; N447-E451 PolarHBondContact O-N 2.9Å; I449-E451 VanDerWaalsContact C-N 3.32Å; I449-E451 PolarHBondContact O-N 2.59Å; E451-G453 PolarHBondContact O-N 3.23Å
452	M	94.4	Very high	95.7	Very high	52 Å²	52	48.8 Å²	48.8	26%	0.256	27%	0.269	S	S	.	.	H	α-helix	trans	-71.8	-13.7	174.1	65.8	-179.4	76.1	0	0	113.6	E448 I449 K457 A458 I463	E448-M452 WeakPolarHBondContact O-CE 3.36Å; E448-M452 PolarHBondContact O-N 3.43Å; E448-M452 VanDerWaalsContact O-N 3.13Å; I449-M452 WeakPolarHBondContact O-CG 3.37Å; I449-M452 PolarHBondContact O-N 2.96Å; M452-K457 WeakPolarHBondContact O-CD 3.38Å; M452-K457 WeakPolarHBondContact O-CE 3.33Å; M452-K457 PolarHBondContact O-NZ 3.41Å; M452-A458 HydrophobicContact CG-CB 4.39Å; M452-A458 HydrophobicContact SD-CB 3.4Å; M452-A458 WeakPolarHBondContact SD-CB 3.28Å; M452-I463 HydrophobicContact CE-CD1 4.49Å; M452-I463 HydrophobicContact SD-CD1 4.36Å
453	G	95.8	Very high	95.5	Very high	51 Å²	51	51.3 Å²	51.3	53%	0.526	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.3	28.6	175.6	0	0	0	0	0	115.2	I449 E450 E451	I449-G453 PolarHBondContact O-N 3.18Å; E450-G453 PolarHBondContact O-N 2.77Å; E451-G453 PolarHBondContact O-N 3.23Å
454	G	95.8	Very high	95.4	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.021	27%	0.272	C	S	.	.			trans	93.9	167.8	175.8	0	0	0	0	0	114	E286 I449 K457 A458	E286-G454 WeakPolarHBondContact OE2-CA 3.19Å; I449-G454 PolarHBondContact O-N 2.69Å; G454-K457 PolarHBondContact O-N 3.21Å; G454-A458 PolarHBondContact O-N 3.46Å; G454-A458 VanDerWaalsContact O-N 3.08Å
455	M	96.8	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.7	-34.4	-169.5	-163.4	55.7	179.9	0	0	112.4	M226 Y279 A282 D283 E286 I449 K457 A458 V459 P464	M226-M455 HydrophobicContact CE-CE 3.44Å; M226-M455 VanDerWaalsContact CE-CE 3.44Å; M226-M455 HydrophobicContact SD-CE 3.45Å; M226-M455 WeakPolarHBondContact SD-CE 3.4Å; Y279-M455 HydrophobicContact CD1-CE 3.81Å; Y279-M455 HydrophobicContact CD1-SD 4.48Å; Y279-M455 HydrophobicContact CD2-CE 4.44Å; Y279-M455 HydrophobicContact CG-CE 3.7Å; A282-M455 HydrophobicContact CB-CB 4.01Å; A282-M455 HydrophobicContact CB-CG 4.01Å; A282-M455 HydrophobicContact CB-SD 4.03Å; D283-M455 WeakPolarHBondContact OD1-CG 3.45Å; E286-M455 HydrophobicContact CB-CB 4.45Å; E286-M455 PolarHBondContact OE2-N 3.25Å; I449-M455 HydrophobicContact CD1-SD 3.94Å; I449-M455 HydrophobicContact CG1-SD 4.3Å; I449-M455 HydrophobicContact CG2-CB 4.03Å; I449-M455 HydrophobicContact CG2-CG 4.48Å; I449-M455 HydrophobicContact CG2-SD 3.75Å; M455-K457 PolarHBondContact O-N 3.26Å; M455-A458 PolarHBondContact O-N 3.4Å; M455-A458 HydrophobicContact SD-CB 3.97Å; M455-V459 HydrophobicContact CE-CG2 4.03Å; M455-V459 HydrophobicContact CG-CG2 4.28Å; M455-V459 WeakPolarHBondContact O-CB 3.42Å; M455-V459 VanDerWaalsContact O-CG2 3.24Å; M455-V459 WeakPolarHBondContact O-CG2 3.31Å; M455-V459 PolarHBondContact O-N 2.99Å; M455-V459 HydrophobicContact SD-CG2 4.46Å; M455-P464 HydrophobicContact CE-CB 3.91Å; M455-P464 HydrophobicContact CE-CG 3.61Å; M455-P464 HydrophobicContact SD-CG 4.17Å
456	A	91.8	Very high	95.2	Very high	31 Å²	31	44 Å²	44	26%	0.256	25%	0.248	S	C	.	.	H	α-helix	trans	-56.9	-39.1	174.4	0	0	0	0	0	112.2	L222 E286 A460	L222-A456 HydrophobicContact CD2-CB 4.21Å; E286-A456 HydrophobicContact CG-CB 3.84Å; E286-A456 PolarHBondContact OE2-N 3.49Å; A456-A460 WeakPolarHBondContact O-CB 3.41Å; A456-A460 PolarHBondContact O-N 2.98Å; A456-A460 VanDerWaalsContact O-N 3.15Å
457	K	93	Very high	95.2	Very high	100 Å²	100	49.5 Å²	49.5	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-75.4	-42.3	176.5	-175.8	176.5	161.6	-157.4	0	112	M452 G454 M455 V459 A460 E461	M452-K457 WeakPolarHBondContact O-CD 3.38Å; M452-K457 WeakPolarHBondContact O-CE 3.33Å; M452-K457 PolarHBondContact O-NZ 3.41Å; G454-K457 PolarHBondContact O-N 3.21Å; M455-K457 PolarHBondContact O-N 3.26Å; K457-V459 VanDerWaalsContact C-N 3.28Å; K457-V459 PolarHBondContact O-N 3.14Å; K457-A460 PolarHBondContact O-N 2.99Å; K457-A460 VanDerWaalsContact O-N 3.17Å; K457-E461 WeakPolarHBondContact CE-OE1 3.37Å; K457-E461 IonicContact NZ-OE1 2.76Å; K457-E461 PolarHBondContact O-N 3.47Å
458	A	94.7	Very high	95.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-55	-44.7	175.1	0	0	0	0	0	112.1	I449 M452 G454 M455 E461 G462 I463 P464	I449-A458 HydrophobicContact CG2-CB 4.31Å; M452-A458 HydrophobicContact CG-CB 4.39Å; M452-A458 HydrophobicContact SD-CB 3.4Å; M452-A458 WeakPolarHBondContact SD-CB 3.28Å; G454-A458 PolarHBondContact O-N 3.46Å; G454-A458 VanDerWaalsContact O-N 3.08Å; M455-A458 PolarHBondContact O-N 3.4Å; M455-A458 HydrophobicContact SD-CB 3.97Å; A458-E461 PolarHBondContact O-N 3.41Å; A458-G462 PolarHBondContact O-N 3.09Å; A458-I463 PolarHBondContact O-N 3.3Å; A458-P464 HydrophobicContact CB-CG 4.06Å; A458-P464 WeakPolarHBondContact O-CD 3.07Å
459	V	92.7	Very high	95.2	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-45.4	176	172.1	0	0	0	0	111.3	F225 M226 M455 K457 E461 G462 P464	F225-V459 HydrophobicContact CB-CG1 3.55Å; F225-V459 HydrophobicContact CG-CG1 4.43Å; M226-V459 HydrophobicContact CE-CG2 3.88Å; M226-V459 HydrophobicContact CG-CG1 4.21Å; M226-V459 HydrophobicContact CG-CG2 3.67Å; M226-V459 HydrophobicContact SD-CG2 3.92Å; M455-V459 HydrophobicContact CE-CG2 4.03Å; M455-V459 HydrophobicContact CG-CG2 4.28Å; M455-V459 WeakPolarHBondContact O-CB 3.42Å; M455-V459 VanDerWaalsContact O-CG2 3.24Å; M455-V459 WeakPolarHBondContact O-CG2 3.31Å; M455-V459 PolarHBondContact O-N 2.99Å; M455-V459 HydrophobicContact SD-CG2 4.46Å; K457-V459 VanDerWaalsContact C-N 3.28Å; K457-V459 PolarHBondContact O-N 3.14Å; V459-E461 VanDerWaalsContact C-N 3.28Å; V459-E461 PolarHBondContact O-N 3.13Å; V459-G462 WeakPolarHBondContact O-CA 3.37Å; V459-G462 PolarHBondContact O-N 3.39Å; V459-P464 HydrophobicContact CG2-CG 4.25Å
460	A	89.2	Confident	95.2	Very high	75 Å²	75	44.9 Å²	44.9	62%	0.62	25%	0.245	S	C	*	.	H	α-helix	trans	-63.6	-29.7	176.8	0	0	0	0	0	113.5	A456 K457 G462	A456-A460 WeakPolarHBondContact O-CB 3.41Å; A456-A460 PolarHBondContact O-N 2.98Å; A456-A460 VanDerWaalsContact O-N 3.15Å; K457-A460 PolarHBondContact O-N 2.99Å; K457-A460 VanDerWaalsContact O-N 3.17Å; A460-G462 VanDerWaalsContact C-N 3.29Å
461	E	90.8	Very high	95.2	Very high	75 Å²	75	43.7 Å²	43.7	35%	0.35	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.4	172.3	-69.3	-174.3	-162.2	0	0	113.5	K457 A458 V459 I463 R581	K457-E461 WeakPolarHBondContact CE-OE1 3.37Å; K457-E461 IonicContact NZ-OE1 2.76Å; K457-E461 PolarHBondContact O-N 3.47Å; A458-E461 PolarHBondContact O-N 3.41Å; V459-E461 VanDerWaalsContact C-N 3.28Å; V459-E461 PolarHBondContact O-N 3.13Å; E461-I463 VanDerWaalsContact C-N 3.32Å; E461-I463 HydrophobicContact CB-CD1 4.28Å; E461-I463 HydrophobicContact CB-CG1 4.28Å; E461-I463 PolarHBondContact O-N 3.48Å; E461-R581 PolarHBondContact O-NH2 2.71Å
462	G	91.9	Very high	95.2	Very high	21 Å²	21	35.5 Å²	35.5	22%	0.216	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	9.3	177	0	0	0	0	0	115.2	A458 V459 A460 L466	A458-G462 PolarHBondContact O-N 3.09Å; V459-G462 WeakPolarHBondContact O-CA 3.37Å; V459-G462 PolarHBondContact O-N 3.39Å; A460-G462 VanDerWaalsContact C-N 3.29Å; G462-L466 PolarHBondContact O-N 3.25Å
463	I	94.7	Very high	95.4	Very high	52 Å²	52	33 Å²	33	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-66.8	-48.9	-174.6	-62.7	171.3	0	0	0	112	M452 A458 E461 K465 L466 R467	M452-I463 HydrophobicContact CE-CD1 4.49Å; M452-I463 HydrophobicContact SD-CD1 4.36Å; A458-I463 PolarHBondContact O-N 3.3Å; E461-I463 VanDerWaalsContact C-N 3.32Å; E461-I463 HydrophobicContact CB-CD1 4.28Å; E461-I463 HydrophobicContact CB-CG1 4.28Å; E461-I463 PolarHBondContact O-N 3.48Å; I463-K465 PolarHBondContact O-N 3.47Å; I463-L466 PolarHBondContact O-N 2.9Å; I463-R467 PolarHBondContact O-N 3.17Å; I463-R467 VanDerWaalsContact O-N 3.13Å
464	P	96.5	Very high	95.6	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-45.5	179.5	-26.7	36.7	0	0	0	113.1	M226 Y279 M455 A458 V459 L466 R467 I468	M226-P464 HydrophobicContact CG-CB 4.12Å; M226-P464 HydrophobicContact SD-CB 3.49Å; M226-P464 WeakPolarHBondContact SD-CB 3.37Å; M226-P464 HydrophobicContact SD-CG 4.23Å; Y279-P464 HydrophobicContact CD2-CB 3.93Å; Y279-P464 HydrophobicContact CE1-CB 4.4Å; Y279-P464 HydrophobicContact CE2-CB 3.64Å; Y279-P464 HydrophobicContact CG-CB 4.42Å; M455-P464 HydrophobicContact CE-CB 3.91Å; M455-P464 HydrophobicContact CE-CG 3.61Å; M455-P464 HydrophobicContact SD-CG 4.17Å; A458-P464 HydrophobicContact CB-CG 4.06Å; A458-P464 WeakPolarHBondContact O-CD 3.07Å; V459-P464 HydrophobicContact CG2-CG 4.25Å; P464-L466 PolarHBondContact O-N 3Å; P464-R467 PolarHBondContact O-N 3.08Å; P464-I468 WeakPolarHBondContact O-CG1 3.33Å; P464-I468 PolarHBondContact O-N 3.08Å
465	K	96.8	Very high	95.7	Very high	18 Å²	18	36.6 Å²	36.6	8%	0.078	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-47	177.6	-177.6	170.4	-175.7	67.3	0	111.4	M226 I463 R467 I468 E469 D580 D628	M226-K465 WeakPolarHBondContact O-CD 3.42Å; M226-K465 VanDerWaalsContact O-CG 3.29Å; M226-K465 WeakPolarHBondContact O-CG 3.48Å; M226-K465 PolarHBondContact O-NZ 2.96Å; M226-K465 VanDerWaalsContact O-NZ 3.13Å; I463-K465 PolarHBondContact O-N 3.47Å; K465-R467 PolarHBondContact O-N 3.41Å; K465-I468 PolarHBondContact O-N 3.4Å; K465-E469 VanDerWaalsContact CE-OE1 3.25Å; K465-E469 WeakPolarHBondContact CE-OE1 3.48Å; K465-E469 WeakPolarHBondContact CG-OE1 3.5Å; K465-E469 IonicContact NZ-OE1 2.92Å; K465-E469 WeakPolarHBondContact O-CG 3.42Å; K465-E469 PolarHBondContact O-N 2.92Å; K465-D580 WeakPolarHBondContact CE-OD1 3.32Å; K465-D580 WeakPolarHBondContact CE-OD2 3.41Å; K465-D628 IonicContact NZ-OD2 3.65Å; K465-D628 PolarHBondContact NZ-OD2 3.45Å
466	L	96.1	Very high	95.8	Very high	36 Å²	36	38.1 Å²	38.1	19%	0.188	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-40.6	178.3	-173.8	68.4	0	0	0	112.6	G462 I463 P464 E469 E470 R581 V583	G462-L466 PolarHBondContact O-N 3.25Å; I463-L466 PolarHBondContact O-N 2.9Å; P464-L466 PolarHBondContact O-N 3Å; L466-E469 PolarHBondContact O-N 2.97Å; L466-E470 WeakPolarHBondContact O-CG 3.24Å; L466-E470 PolarHBondContact O-N 3.46Å; L466-R581 HydrophobicContact CD1-CB 4.21Å; L466-V583 HydrophobicContact CD1-CG2 3.68Å
467	R	97.6	Very high	96.1	Very high	118 Å²	118	36.7 Å²	36.7	45%	0.445	18%	0.184	S	C	.	.	H	α-helix	trans	-66.8	-39	176.8	-66.7	-53.4	-169.4	-165.4	-1.1	112.9	L275 Y279 I463 P464 K465 E470 C471	L275-R467 HydrophobicContact CD1-CB 4.12Å; L275-R467 HydrophobicContact CD2-CB 4.4Å; Y279-R467 WeakPolarHBondContact OH-CB 3.47Å; Y279-R467 WeakPolarHBondContact OH-CG 3.27Å; I463-R467 PolarHBondContact O-N 3.17Å; I463-R467 VanDerWaalsContact O-N 3.13Å; P464-R467 PolarHBondContact O-N 3.08Å; K465-R467 PolarHBondContact O-N 3.41Å; R467-E470 WeakPolarHBondContact CD-OE2 3.37Å; R467-E470 IonicContact CZ-OE2 3.49Å; R467-E470 IonicContact NE-OE2 2.76Å; R467-E470 IonicContact NH1-OE1 3.43Å; R467-E470 PolarHBondContact NH1-OE1 3.3Å; R467-E470 IonicContact NH1-OE2 3.22Å; R467-E470 PolarHBondContact NH1-OE2 2.85Å; R467-E470 PolarHBondContact O-N 2.88Å; R467-C471 PolarHBondContact O-N 3.1Å
468	I	98.4	Very high	96.4	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-43.7	174.9	-65.9	173.2	0	0	0	110.4	V227 M266 A269 A271 Y279 P464 K465 C471 A472	V227-I468 HydrophobicContact CG1-CD1 3.56Å; V227-I468 HydrophobicContact CG1-CG2 3.97Å; M266-I468 HydrophobicContact CB-CD1 4.11Å; M266-I468 HydrophobicContact CG-CD1 4.38Å; A269-I468 HydrophobicContact CB-CG2 3.8Å; A271-I468 HydrophobicContact CB-CD1 4.43Å; A271-I468 HydrophobicContact CB-CG1 4Å; A271-I468 HydrophobicContact CB-CG2 4.4Å; Y279-I468 HydrophobicContact CD2-CD1 4.12Å; Y279-I468 HydrophobicContact CD2-CG1 4.38Å; Y279-I468 HydrophobicContact CE2-CD1 4.29Å; Y279-I468 HydrophobicContact CE2-CG1 4.14Å; P464-I468 WeakPolarHBondContact O-CG1 3.33Å; P464-I468 PolarHBondContact O-N 3.08Å; K465-I468 PolarHBondContact O-N 3.4Å; I468-C471 PolarHBondContact O-N 3.19Å; I468-A472 WeakPolarHBondContact O-CB 3.4Å; I468-A472 PolarHBondContact O-N 3.31Å
469	E	98.1	Very high	96.5	Very high	16 Å²	16	34 Å²	34	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-36.9	175.7	-70.2	177.6	-172.5	0	0	112.5	K465 L466 A472 A473 V583 K632	K465-E469 VanDerWaalsContact CE-OE1 3.25Å; K465-E469 WeakPolarHBondContact CE-OE1 3.48Å; K465-E469 WeakPolarHBondContact CG-OE1 3.5Å; K465-E469 IonicContact NZ-OE1 2.92Å; K465-E469 WeakPolarHBondContact O-CG 3.42Å; K465-E469 PolarHBondContact O-N 2.92Å; L466-E469 PolarHBondContact O-N 2.97Å; E469-A472 PolarHBondContact O-N 3Å; E469-A473 WeakPolarHBondContact O-CB 3.2Å; E469-A473 PolarHBondContact O-N 2.72Å; E469-V583 HydrophobicContact CB-CG2 3.51Å; E469-K632 IonicContact OE1-NZ 3.3Å; E469-K632 PolarHBondContact OE1-NZ 3.09Å; E469-K632 IonicContact OE2-NZ 3.4Å; E469-K632 PolarHBondContact OE2-NZ 2.99Å
470	E	98.1	Very high	96.8	Very high	48 Å²	48	33.5 Å²	33.5	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-47.3	172.1	-77.6	174.8	169.5	0	0	111.4	L466 R467 A473 R474 V583	L466-E470 WeakPolarHBondContact O-CG 3.24Å; L466-E470 PolarHBondContact O-N 3.46Å; R467-E470 WeakPolarHBondContact CD-OE2 3.37Å; R467-E470 IonicContact CZ-OE2 3.49Å; R467-E470 IonicContact NE-OE2 2.76Å; R467-E470 IonicContact NH1-OE1 3.43Å; R467-E470 PolarHBondContact NH1-OE1 3.3Å; R467-E470 IonicContact NH1-OE2 3.22Å; R467-E470 PolarHBondContact NH1-OE2 2.85Å; R467-E470 PolarHBondContact O-N 2.88Å; E470-A473 PolarHBondContact O-N 3.21Å; E470-R474 WeakPolarHBondContact O-CG 3.38Å; E470-R474 PolarHBondContact O-N 2.97Å; E470-V583 HydrophobicContact CG-CG1 4.01Å; E470-V583 HydrophobicContact CG-CG2 4Å
471	C	98.4	Very high	97.2	Very high	28 Å²	28	32.2 Å²	32.2	19%	0.189	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-37.7	177.1	-72.8	0	0	0	0	112.3	G270 D272 L275 R467 I468 R475	G270-C471 WeakPolarHBondContact O-CB 3.47Å; D272-C471 PolarHBondContact OD2-SG 2.92Å; L275-C471 HydrophobicContact CD1-CB 4.34Å; R467-C471 PolarHBondContact O-N 3.1Å; I468-C471 PolarHBondContact O-N 3.19Å; C471-R475 VanDerWaalsContact O-CB 3.3Å; C471-R475 WeakPolarHBondContact O-CB 3.34Å; C471-R475 PolarHBondContact O-N 2.86Å
472	A	98.5	Very high	97.6	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-45.5	173.4	0	0	0	0	0	112.4	A269 I468 E469 R475 Q476 R629 V633	A269-A472 WeakPolarHBondContact O-CB 3.33Å; I468-A472 WeakPolarHBondContact O-CB 3.4Å; I468-A472 PolarHBondContact O-N 3.31Å; E469-A472 PolarHBondContact O-N 3Å; A472-R475 PolarHBondContact O-N 3.46Å; A472-Q476 PolarHBondContact O-N 2.86Å; A472-R629 HydrophobicContact CB-CG 4.21Å; A472-V633 HydrophobicContact CB-CG2 3.87Å
473	A	98.5	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-45.3	179	0	0	0	0	0	112	E469 E470 R475 Q476 A477 V583 A586 T636	E469-A473 WeakPolarHBondContact O-CB 3.2Å; E469-A473 PolarHBondContact O-N 2.72Å; E470-A473 PolarHBondContact O-N 3.21Å; A473-R475 PolarHBondContact O-N 2.75Å; A473-Q476 PolarHBondContact O-N 2.82Å; A473-A477 PolarHBondContact O-N 3.03Å; A473-V583 HydrophobicContact CB-CG1 4.49Å; A473-A586 HydrophobicContact CB-CB 4.25Å; A473-T636 HydrophobicContact CB-CG2 3.95Å
474	R	98.5	Very high	98	Very high	73 Å²	73	32.8 Å²	32.8	28%	0.275	17%	0.17	S	C	.	.	H	α-helix	trans	-58.6	-47.2	173	-70.9	-178.7	-175.3	-75.1	-9.3	111.1	E470 Q476 A477 R478 E590	E470-R474 WeakPolarHBondContact O-CG 3.38Å; E470-R474 PolarHBondContact O-N 2.97Å; R474-Q476 PolarHBondContact O-N 2.88Å; R474-A477 WeakPolarHBondContact O-CB 3.38Å; R474-A477 PolarHBondContact O-N 3.06Å; R474-A477 VanDerWaalsContact O-N 3.15Å; R474-R478 PolarHBondContact O-N 3.16Å; R474-E590 HydrophobicContact CB-CB 4.18Å; R474-E590 HydrophobicContact CB-CG 3.82Å; R474-E590 WeakPolarHBondContact CD-OE2 3.41Å; R474-E590 HydrophobicContact CG-CB 4.05Å; R474-E590 HydrophobicContact CG-CG 4.12Å; R474-E590 WeakPolarHBondContact CG-OE2 2.99Å; R474-E590 IonicContact CZ-OE2 3.48Å; R474-E590 IonicContact NE-OE2 2.79Å; R474-E590 IonicContact NH1-OE2 3.92Å; R474-E590 PolarHBondContact NH1-OE2 3.11Å; R474-E590 WeakPolarHBondContact O-CG 3.45Å
475	R	98.6	Very high	98.1	Very high	56 Å²	56	36.3 Å²	36.3	21%	0.211	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-42.9	179.8	-168.7	166.2	-164.9	-174.7	0.7	112.6	W356 C471 A472 A473 A477 R478 I479 E484	W356-R475 HydrophobicContact CH2-CG 4.29Å; C471-R475 VanDerWaalsContact O-CB 3.3Å; C471-R475 WeakPolarHBondContact O-CB 3.34Å; C471-R475 PolarHBondContact O-N 2.86Å; A472-R475 PolarHBondContact O-N 3.46Å; A473-R475 PolarHBondContact O-N 2.75Å; R475-A477 VanDerWaalsContact C-N 3.34Å; R475-A477 PolarHBondContact O-N 2.77Å; R475-R478 PolarHBondContact O-N 2.94Å; R475-I479 HydrophobicContact CG-CD1 4.09Å; R475-I479 WeakPolarHBondContact O-CD1 3.43Å; R475-I479 WeakPolarHBondContact O-CG1 3.31Å; R475-I479 PolarHBondContact O-N 3.31Å; R475-I479 VanDerWaalsContact O-N 3.13Å; R475-E484 IonicContact CZ-OE1 3.69Å; R475-E484 VanDerWaalsContact CZ-OE1 3.28Å; R475-E484 IonicContact NE-OE1 2.73Å; R475-E484 PolarHBondContact NE-OE1 3.18Å; R475-E484 IonicContact NE-OE2 3.66Å; R475-E484 IonicContact NH2-OE1 3.44Å; R475-E484 PolarHBondContact NH2-OE1 3.31Å
476	Q	98.5	Very high	98.2	Very high	32 Å²	32	37 Å²	37	15%	0.15	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-40.3	175.5	-166	65.2	43.8	0	0	112	A472 A473 R474 R478 I479 D480 Y587 V633 I728	A472-Q476 PolarHBondContact O-N 2.86Å; A473-Q476 PolarHBondContact O-N 2.82Å; R474-Q476 PolarHBondContact O-N 2.88Å; Q476-R478 VanDerWaalsContact C-N 3.32Å; Q476-R478 PolarHBondContact O-N 3.13Å; Q476-I479 PolarHBondContact O-N 3.43Å; Q476-D480 PolarHBondContact NE2-OD1 3.05Å; Q476-D480 WeakPolarHBondContact O-CB 3.19Å; Q476-D480 PolarHBondContact O-N 3.2Å; Q476-Y587 HydrophobicContact CB-CD2 4.42Å; Q476-Y587 HydrophobicContact CB-CE2 4.24Å; Q476-Y587 HydrophobicContact CG-CE2 4.17Å; Q476-V633 HydrophobicContact CB-CG1 3.56Å; Q476-V633 HydrophobicContact CG-CG1 3.61Å; Q476-I728 HydrophobicContact CG-CD1 4.1Å
477	A	98.6	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-37.9	176.8	0	0	0	0	0	112.6	A473 R474 R475 S481 Y587 E590 F591	A473-A477 PolarHBondContact O-N 3.03Å; R474-A477 WeakPolarHBondContact O-CB 3.38Å; R474-A477 PolarHBondContact O-N 3.06Å; R474-A477 VanDerWaalsContact O-N 3.15Å; R475-A477 VanDerWaalsContact C-N 3.34Å; R475-A477 PolarHBondContact O-N 2.77Å; A477-S481 VanDerWaalsContact O-CB 3.23Å; A477-S481 WeakPolarHBondContact O-CB 3.43Å; A477-S481 PolarHBondContact O-N 3.07Å; A477-S481 PolarHBondContact O-OG 3.01Å; A477-Y587 HydrophobicContact CB-CD2 3.71Å; A477-Y587 HydrophobicContact CB-CE2 3.81Å; A477-Y587 HydrophobicContact CB-CG 4.22Å; A477-Y587 VanDerWaalsContact CB-O 3.25Å; A477-Y587 WeakPolarHBondContact CB-O 3.43Å; A477-E590 HydrophobicContact CB-CB 3.85Å; A477-E590 HydrophobicContact CB-CG 4.18Å; A477-F591 HydrophobicContact CB-CB 4.14Å; A477-F591 HydrophobicContact CB-CD2 4.42Å
478	R	98.6	Very high	98.3	Very high	35 Å²	35	32.5 Å²	32.5	13%	0.132	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-37.1	174.2	-67.6	-169.1	-59.4	-93.7	0.3	113.3	R474 R475 Q476 S481 G482 S483 E484 E590	R474-R478 PolarHBondContact O-N 3.16Å; R475-R478 PolarHBondContact O-N 2.94Å; Q476-R478 VanDerWaalsContact C-N 3.32Å; Q476-R478 PolarHBondContact O-N 3.13Å; R478-S481 WeakPolarHBondContact CA-OG 3.45Å; R478-S481 PolarHBondContact O-OG 3.21Å; R478-S481 VanDerWaalsContact O-OG 3.14Å; R478-G482 PolarHBondContact O-N 3.41Å; R478-G482 VanDerWaalsContact O-N 3.12Å; R478-S483 VanDerWaalsContact CA-OG 3.28Å; R478-S483 WeakPolarHBondContact CA-OG 3.26Å; R478-S483 WeakPolarHBondContact CB-OG 3.39Å; R478-S483 PolarHBondContact O-N 3.46Å; R478-S483 PolarHBondContact O-OG 2.83Å; R478-E484 HydrophobicContact CB-CB 3.74Å; R478-E484 IonicContact CZ-OE2 3.67Å; R478-E484 IonicContact NE-OE2 2.79Å; R478-E484 PolarHBondContact NE-OE2 3.3Å; R478-E484 VanDerWaalsContact NE-OE2 3.14Å; R478-E484 IonicContact NH2-OE2 3.65Å; R478-E484 PolarHBondContact NH2-OE2 2.94Å; R478-E484 PolarHBondContact O-N 3.05Å; R478-E590 WeakPolarHBondContact CD-OE1 3.15Å; R478-E590 HydrophobicContact CG-CG 3.84Å; R478-E590 IonicContact CZ-OE1 3.62Å; R478-E590 IonicContact NH1-OE1 3.53Å; R478-E590 PolarHBondContact NH1-OE1 3.04Å
479	I	98.5	Very high	98.2	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-71.1	-46.9	176.8	-65.4	159.6	0	0	0	110.6	W356 R475 Q476 S481 G482 E484 I486 N490	W356-I479 HydrophobicContact CH2-CD1 3.62Å; W356-I479 HydrophobicContact CZ2-CD1 3.74Å; R475-I479 HydrophobicContact CG-CD1 4.09Å; R475-I479 WeakPolarHBondContact O-CD1 3.43Å; R475-I479 WeakPolarHBondContact O-CG1 3.31Å; R475-I479 PolarHBondContact O-N 3.31Å; R475-I479 VanDerWaalsContact O-N 3.13Å; Q476-I479 PolarHBondContact O-N 3.43Å; I479-S481 VanDerWaalsContact C-N 3.33Å; I479-S481 PolarHBondContact O-N 3.19Å; I479-G482 PolarHBondContact O-N 2.87Å; I479-G482 VanDerWaalsContact O-N 3.12Å; I479-E484 HydrophobicContact CG1-CB 4.06Å; I479-E484 HydrophobicContact CG1-CG 4.16Å; I479-I486 HydrophobicContact CD1-CD1 3.88Å; I479-I486 HydrophobicContact CG1-CD1 3.94Å; I479-I486 HydrophobicContact CG2-CD1 3.85Å; I479-N490 PolarHBondContact O-ND2 3.06Å
480	D	98.5	Very high	98.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-34.3	-179	-71	-0	0	0	0	111.7	Q476 G482 Y587 F591 R727 I728	Q476-D480 PolarHBondContact NE2-OD1 3.05Å; Q476-D480 WeakPolarHBondContact O-CB 3.19Å; Q476-D480 PolarHBondContact O-N 3.2Å; D480-G482 VanDerWaalsContact C-N 3.35Å; D480-Y587 WeakPolarHBondContact CB-OH 3.29Å; D480-Y587 PolarHBondContact OD2-OH 3.1Å; D480-F591 HydrophobicContact CB-CD2 4.33Å; D480-F591 HydrophobicContact CB-CE2 3.67Å; D480-R727 HydrophobicContact CB-CB 4.43Å; D480-R727 HydrophobicContact CB-CG 4.4Å; D480-R727 PolarHBondContact O-NE 2.89Å; D480-R727 PolarHBondContact O-NH2 3.14Å; D480-I728 PolarHBondContact OD2-N 3.22Å
481	S	97.9	Very high	98.2	Very high	48 Å²	48	36.8 Å²	36.8	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-77.3	-17.7	173.1	61.4	0	0	0	0	113.9	A477 R478 I479 S483	A477-S481 VanDerWaalsContact O-CB 3.23Å; A477-S481 WeakPolarHBondContact O-CB 3.43Å; A477-S481 PolarHBondContact O-N 3.07Å; A477-S481 PolarHBondContact O-OG 3.01Å; R478-S481 WeakPolarHBondContact CA-OG 3.45Å; R478-S481 PolarHBondContact O-OG 3.21Å; R478-S481 VanDerWaalsContact O-OG 3.14Å; I479-S481 VanDerWaalsContact C-N 3.33Å; I479-S481 PolarHBondContact O-N 3.19Å; S481-S483 PolarHBondContact OG-OG 3.34Å
482	G	97.7	Very high	98.2	Very high	37 Å²	37	42.7 Å²	42.7	38%	0.381	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	11.5	-177.3	0	0	0	0	0	115.2	R478 I479 D480	R478-G482 PolarHBondContact O-N 3.41Å; R478-G482 VanDerWaalsContact O-N 3.12Å; I479-G482 PolarHBondContact O-N 2.87Å; I479-G482 VanDerWaalsContact O-N 3.12Å; D480-G482 VanDerWaalsContact C-N 3.35Å
483	S	97.2	Very high	98.1	Very high	84 Å²	84	48.9 Å²	48.9	59%	0.587	25%	0.252	S	S	*	.	S	Bend	trans	-76.3	-28.9	172.7	56.2	0	0	0	0	112.7	R478 S481	R478-S483 VanDerWaalsContact CA-OG 3.28Å; R478-S483 WeakPolarHBondContact CA-OG 3.26Å; R478-S483 WeakPolarHBondContact CB-OG 3.39Å; R478-S483 PolarHBondContact O-N 3.46Å; R478-S483 PolarHBondContact O-OG 2.83Å; S481-S483 PolarHBondContact OG-OG 3.34Å
484	E	98.3	Very high	98	Very high	39 Å²	39	52.6 Å²	52.6	18%	0.182	27%	0.271	C	S	.	.	S	Bend	trans	-100.9	113.8	164.7	-172.7	167.6	153.1	0	0	108.4	R475 R478 I479 N490	R475-E484 IonicContact CZ-OE1 3.69Å; R475-E484 VanDerWaalsContact CZ-OE1 3.28Å; R475-E484 IonicContact NE-OE1 2.73Å; R475-E484 PolarHBondContact NE-OE1 3.18Å; R475-E484 IonicContact NE-OE2 3.66Å; R475-E484 IonicContact NH2-OE1 3.44Å; R475-E484 PolarHBondContact NH2-OE1 3.31Å; R478-E484 HydrophobicContact CB-CB 3.74Å; R478-E484 IonicContact CZ-OE2 3.67Å; R478-E484 IonicContact NE-OE2 2.79Å; R478-E484 PolarHBondContact NE-OE2 3.3Å; R478-E484 VanDerWaalsContact NE-OE2 3.14Å; R478-E484 IonicContact NH2-OE2 3.65Å; R478-E484 PolarHBondContact NH2-OE2 2.94Å; R478-E484 PolarHBondContact O-N 3.05Å; I479-E484 HydrophobicContact CG1-CB 4.06Å; I479-E484 HydrophobicContact CG1-CG 4.16Å; E484-N490 PolarHBondContact O-ND2 3.06Å
485	V	98.6	Very high	97.7	Very high	74 Å²	74	59.1 Å²	59.1	45%	0.448	31%	0.305	S	S	.	.			trans	-87.4	127.3	-174.5	174.6	0	0	0	0	111.1	K491	V485-K491 HydrophobicContact CG1-CB 3.9Å; V485-K491 HydrophobicContact CG1-CD 4Å; V485-K491 HydrophobicContact CG2-CD 4.25Å
486	I	98.5	Very high	97.3	Very high	32 Å²	32	64.8 Å²	64.8	16%	0.164	33%	0.331	C	S	.	.			trans	-118.1	107.5	169.2	-55.1	-178.1	0	0	0	108.1	T359 I479 G488 V489 N490 K491	T359-I486 HydrophobicContact CG2-CG2 3.51Å; I479-I486 HydrophobicContact CD1-CD1 3.88Å; I479-I486 HydrophobicContact CG1-CD1 3.94Å; I479-I486 HydrophobicContact CG2-CD1 3.85Å; I486-G488 PolarHBondContact O-N 3.31Å; I486-V489 HydrophobicContact CB-CB 4.05Å; I486-V489 HydrophobicContact CB-CG2 4.42Å; I486-V489 HydrophobicContact CG2-CB 3.75Å; I486-V489 HydrophobicContact CG2-CG2 3.56Å; I486-V489 PolarHBondContact O-N 3.41Å; I486-N490 PolarHBondContact N-OD1 3.14Å; I486-N490 PolarHBondContact O-N 3.38Å; I486-N490 PolarHBondContact O-OD1 2.65Å; I486-K491 PolarHBondContact O-N 2.9Å
487	V	98.5	Very high	96.8	Very high	60 Å²	60	66.4 Å²	66.4	36%	0.364	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-58.1	133	177.4	-178.7	0	0	0	0	110.2	R369 V489 K491 Y492	R369-V487 PolarHBondContact NH2-O 3.49Å; V487-V489 PolarHBondContact O-N 3.25Å; V487-K491 WeakPolarHBondContact CA-O 3.18Å; V487-Y492 HydrophobicContact CG1-CD2 4.23Å; V487-Y492 HydrophobicContact CG2-CD2 4.19Å
488	G	97.2	Very high	96.2	Very high	1 Å²	1	73 Å²	73	1%	0.01	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-24.2	-174.2	0	0	0	0	0	114	I486 K491 Q493	I486-G488 PolarHBondContact O-N 3.31Å; G488-K491 PolarHBondContact N-O 3.19Å; G488-Q493 WeakPolarHBondContact O-CG 3.24Å
489	V	97.2	Very high	95.4	Very high	20 Å²	20	76.5 Å²	76.5	12%	0.121	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-59.7	-171.3	-174.5	0	0	0	0	113	T359 Q361 I486 V487 Q493	T359-V489 HydrophobicContact CG2-CG2 3.45Å; T359-V489 VanDerWaalsContact CG2-CG2 3.45Å; Q361-V489 HydrophobicContact CB-CG2 4.28Å; I486-V489 HydrophobicContact CB-CB 4.05Å; I486-V489 HydrophobicContact CB-CG2 4.42Å; I486-V489 HydrophobicContact CG2-CB 3.75Å; I486-V489 HydrophobicContact CG2-CG2 3.56Å; I486-V489 PolarHBondContact O-N 3.41Å; V487-V489 PolarHBondContact O-N 3.25Å; V489-Q493 WeakPolarHBondContact O-CG 3.27Å; V489-Q493 PolarHBondContact O-NE2 3.11Å
490	N	97.6	Very high	94.5	Very high	39 Å²	39	77.7 Å²	77.7	21%	0.209	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-6.8	178.2	73.9	0.8	0	0	0	113.3	I479 E484 I486	I479-N490 PolarHBondContact O-ND2 3.06Å; E484-N490 PolarHBondContact O-ND2 3.06Å; I486-N490 PolarHBondContact N-OD1 3.14Å; I486-N490 PolarHBondContact O-N 3.38Å; I486-N490 PolarHBondContact O-OD1 2.65Å
491	K	98.2	Very high	93.5	Very high	98 Å²	98	85 Å²	85	43%	0.426	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-152	144.4	175.1	-159.4	176.2	-177	179.1	0	110.3	V485 I486 V487 G488 Q493	V485-K491 HydrophobicContact CG1-CB 3.9Å; V485-K491 HydrophobicContact CG1-CD 4Å; V485-K491 HydrophobicContact CG2-CD 4.25Å; I486-K491 PolarHBondContact O-N 2.9Å; V487-K491 WeakPolarHBondContact CA-O 3.18Å; G488-K491 PolarHBondContact N-O 3.19Å; K491-Q493 VanDerWaalsContact C-N 3.3Å; K491-Q493 PolarHBondContact O-N 3.14Å
492	Y	98	Very high	92.4	Very high	152 Å²	152	84 Å²	84	60%	0.596	44%	0.443	S	S	*	.	S	Bend	trans	57.5	43	-175.4	-36.8	-71.7	0	0	0	112.3	V487	V487-Y492 HydrophobicContact CG1-CD2 4.23Å; V487-Y492 HydrophobicContact CG2-CD2 4.19Å
493	Q	97.1	Very high	91.3	Very high	131 Å²	131	85.6 Å²	85.6	61%	0.612	44%	0.443	S	S	*	.			trans	-63.7	146.8	172.7	-67	164.5	1.4	0	0	110.2	G488 V489 K491	G488-Q493 WeakPolarHBondContact O-CG 3.24Å; V489-Q493 WeakPolarHBondContact O-CG 3.27Å; V489-Q493 PolarHBondContact O-NE2 3.11Å; K491-Q493 VanDerWaalsContact C-N 3.3Å; K491-Q493 PolarHBondContact O-N 3.14Å
494	L	95.6	Very high	90.1	Very high	79 Å²	79	86.2 Å²	86.2	41%	0.414	45%	0.453	S	S	.	.			trans	-73.4	151.2	166.4	-61.6	176.4	0	0	0	109.8	D362 K496	D362-L494 HydrophobicContact CB-CD1 3.96Å; D362-L494 HydrophobicContact CB-CG 4.38Å; L494-K496 PolarHBondContact O-N 3.3Å
495	E	93.7	Very high	89.1	Confident	210 Å²	210	86.4 Å²	86.4	98%	0.981	46%	0.455	S	S	*	.	S	Bend	trans	-68.1	-26.4	172	-65.1	-174.2	168	0	0	111.9
496	K	89.6	Confident	88.3	Confident	175 Å²	175	87.6 Å²	87.6	76%	0.761	46%	0.459	S	S	*	.	S	Bend	trans	-152.5	131.5	176.5	-176.6	-174.1	174.2	-169.7	0	109	L494	L494-K496 PolarHBondContact O-N 3.3Å
497	E	88.3	Confident	87.8	Confident	66 Å²	66	86.8 Å²	86.8	31%	0.308	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-75.1	143.7	171.8	-62.6	-60.6	145.5	0	0	111.4	D362	D362-E497 PolarHBondContact N-OE2 3.23Å
498	D	86	Confident	87.3	Confident	139 Å²	139	86.5 Å²	86.5	74%	0.743	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-80.3	144.7	169.9	-83.8	-31.8	0	0	0	110.9	V500	D498-V500 PolarHBondContact O-N 2.91Å
499	A	80.8	Confident	87	Confident	108 Å²	108	88.2 Å²	88.2	89%	0.893	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-70.6	123	175	0	0	0	0	0	110.8
500	V	80.3	Confident	86.7	Confident	36 Å²	36	88 Å²	88	22%	0.218	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-102.3	137.5	171.5	179.9	0	0	0	0	109.1	P363 F390 D391 L394 D498 V502	P363-V500 HydrophobicContact CG-CG2 3.77Å; F390-V500 HydrophobicContact CE2-CG1 4.46Å; D391-V500 HydrophobicContact CB-CG1 4.47Å; L394-V500 HydrophobicContact CD1-CB 4.01Å; L394-V500 HydrophobicContact CD1-CG1 4.14Å; L394-V500 HydrophobicContact CD1-CG2 4.45Å; D498-V500 PolarHBondContact O-N 2.91Å; V500-V502 PolarHBondContact O-N 3.04Å
501	E	76.9	Confident	86.6	Confident	157 Å²	157	86.8 Å²	86.8	73%	0.734	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-69.3	120.1	175.6	-174.1	179.3	-173.6	0	0	110
502	V	75.6	Confident	86.4	Confident	26 Å²	26	86 Å²	86	16%	0.158	46%	0.456	C	S	.	.			trans	-112.6	133.3	178.9	-173.3	0	0	0	0	109.1	L394 V500 A504	L394-V502 HydrophobicContact CB-CG1 4.46Å; L394-V502 HydrophobicContact CB-CG2 3.75Å; L394-V502 HydrophobicContact CD2-CG2 4.42Å; L394-V502 WeakPolarHBondContact O-CG1 3.49Å; V500-V502 PolarHBondContact O-N 3.04Å; V502-A504 PolarHBondContact O-N 3.21Å; V502-A504 VanDerWaalsContact O-N 3.1Å
503	L	74.5	Confident	86.3	Confident	72 Å²	72	85.8 Å²	85.8	38%	0.377	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-68	106.8	174.9	-69.8	176	0	0	0	110.9	L396 P397	L396-L503 HydrophobicContact CB-CB 4.33Å; L396-L503 HydrophobicContact CB-CD1 4.14Å; P397-L503 WeakPolarHBondContact O-CD1 3.32Å
504	A	71.3	Confident	86.3	Confident	96 Å²	96	80 Å²	80	79%	0.793	43%	0.428	S	S	*	.			trans	-83.9	128	170.8	0	0	0	0	0	110.8	V502	V502-A504 PolarHBondContact O-N 3.21Å; V502-A504 VanDerWaalsContact O-N 3.1Å
505	I	77.4	Confident	86.4	Confident	44 Å²	44	78 Å²	78	23%	0.226	42%	0.417	C	S	.	.			trans	-98.1	120.7	-178.4	-58	162.2	0	0	0	109.8	S114 M159 L396 N507	S114-I505 WeakPolarHBondContact OG-CD1 3.48Å; S114-I505 WeakPolarHBondContact OG-CG1 3.46Å; S114-I505 WeakPolarHBondContact OG-CG2 3.33Å; M159-I505 HydrophobicContact CE-CB 4.31Å; M159-I505 HydrophobicContact CE-CD1 4.43Å; M159-I505 WeakPolarHBondContact O-CD1 3.4Å; M159-I505 HydrophobicContact SD-CB 4.06Å; M159-I505 HydrophobicContact SD-CD1 4.48Å; M159-I505 HydrophobicContact SD-CG2 3.81Å; L396-I505 HydrophobicContact CD1-CD1 3.8Å; L396-I505 HydrophobicContact CD1-CG1 4.47Å; L396-I505 HydrophobicContact CG-CD1 4.35Å; I505-N507 PolarHBondContact O-N 3.08Å; I505-N507 VanDerWaalsContact O-N 3.11Å
506	D	82.9	Confident	86.6	Confident	98 Å²	98	73.1 Å²	73.1	52%	0.524	39%	0.394	S	S	.	.			trans	-80	86.8	167	176.7	8.9	0	0	0	110.5	T508 S509 V510	D506-T508 PolarHBondContact O-N 3.1Å; D506-T508 VanDerWaalsContact O-N 3.14Å; D506-T508 WeakPolarHBondContact OD1-CA 3.38Å; D506-T508 WeakPolarHBondContact OD1-CB 3.33Å; D506-T508 PolarHBondContact OD1-N 2.62Å; D506-S509 PolarHBondContact O-N 2.85Å; D506-S509 PolarHBondContact OD1-N 3.48Å; D506-S509 VanDerWaalsContact OD1-N 3.12Å; D506-S509 WeakPolarHBondContact OD2-CB 3.48Å; D506-V510 PolarHBondContact O-N 2.95Å
507	N	86.9	Confident	87	Confident	16 Å²	16	66.9 Å²	66.9	9%	0.086	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-22.5	177.5	85.2	-13.9	0	0	0	113.4	G155 M159 I505 R511	G155-N507 PolarHBondContact O-ND2 2.6Å; G155-N507 VanDerWaalsContact O-ND2 3.15Å; M159-N507 HydrophobicContact CG-CB 4.29Å; M159-N507 HydrophobicContact SD-CB 3.47Å; M159-N507 WeakPolarHBondContact SD-CB 3.32Å; I505-N507 PolarHBondContact O-N 3.08Å; I505-N507 VanDerWaalsContact O-N 3.11Å; N507-R511 WeakPolarHBondContact O-CB 3Å; N507-R511 PolarHBondContact O-N 2.84Å
508	T	88.3	Confident	87.4	Confident	53 Å²	53	63.9 Å²	63.9	33%	0.325	35%	0.353	S	S	.	.	H	α-helix	trans	-79.2	-39.6	-175.7	-74.9	0	0	0	0	110.5	D506 R511 N512	D506-T508 PolarHBondContact O-N 3.1Å; D506-T508 VanDerWaalsContact O-N 3.14Å; D506-T508 WeakPolarHBondContact OD1-CA 3.38Å; D506-T508 WeakPolarHBondContact OD1-CB 3.33Å; D506-T508 PolarHBondContact OD1-N 2.62Å; T508-R511 PolarHBondContact OG1-NH2 3.02Å; T508-R511 VanDerWaalsContact OG1-NH2 3.1Å; T508-N512 VanDerWaalsContact O-CB 3.25Å; T508-N512 WeakPolarHBondContact O-CB 3.29Å; T508-N512 PolarHBondContact O-N 2.94Å; T508-N512 PolarHBondContact O-ND2 2.79Å; T508-N512 PolarHBondContact O-OD1 3.11Å
509	S	90.8	Very high	88	Confident	37 Å²	37	64 Å²	64	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-45.9	169.6	-178.9	0	0	0	0	111.9	D506 R513	D506-S509 PolarHBondContact O-N 2.85Å; D506-S509 PolarHBondContact OD1-N 3.48Å; D506-S509 VanDerWaalsContact OD1-N 3.12Å; D506-S509 WeakPolarHBondContact OD2-CB 3.48Å; S509-R513 WeakPolarHBondContact O-CG 3.25Å; S509-R513 PolarHBondContact O-N 3.37Å; S509-R513 PolarHBondContact OG-NH2 2.91Å
510	V	91.6	Very high	88.8	Confident	16 Å²	16	64.6 Å²	64.6	10%	0.097	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-55.4	178.4	-178.1	0	0	0	0	111.1	T115 D506 N512 R513 Q514	T115-V510 HydrophobicContact CG2-CG1 4.43Å; T115-V510 HydrophobicContact CG2-CG2 3.98Å; D506-V510 PolarHBondContact O-N 2.95Å; V510-N512 VanDerWaalsContact C-N 3.33Å; V510-N512 PolarHBondContact O-N 3.49Å; V510-R513 PolarHBondContact O-N 3.42Å; V510-Q514 WeakPolarHBondContact O-CB 3.32Å; V510-Q514 PolarHBondContact O-N 3.21Å
511	R	93.9	Very high	89.7	Confident	13 Å²	13	64.3 Å²	64.3	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-56	-43.8	179.5	-175.1	-173.8	65	-123	-16.1	112.4	R154 V157 N507 T508 Q514 I515	R154-R511 PolarHBondContact O-NH1 2.96Å; V157-R511 HydrophobicContact CB-CB 4.15Å; V157-R511 HydrophobicContact CB-CG 4.28Å; V157-R511 HydrophobicContact CG1-CB 4.1Å; V157-R511 HydrophobicContact CG1-CG 4.41Å; V157-R511 HydrophobicContact CG2-CG 4.23Å; N507-R511 WeakPolarHBondContact O-CB 3Å; N507-R511 PolarHBondContact O-N 2.84Å; T508-R511 PolarHBondContact OG1-NH2 3.02Å; T508-R511 VanDerWaalsContact OG1-NH2 3.1Å; R511-Q514 PolarHBondContact O-N 3.47Å; R511-I515 HydrophobicContact CG-CD1 3.83Å; R511-I515 HydrophobicContact CG-CG1 4.41Å; R511-I515 WeakPolarHBondContact O-CB 3.37Å; R511-I515 VanDerWaalsContact O-CG1 3.27Å; R511-I515 WeakPolarHBondContact O-CG1 3.46Å; R511-I515 PolarHBondContact O-N 3.18Å
512	N	95.3	Very high	90.7	Very high	81 Å²	81	59.7 Å²	59.7	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-64.5	-44.2	-178.9	-70.6	-9.6	0	0	0	112	T508 V510 Q514 I515 E516	T508-N512 VanDerWaalsContact O-CB 3.25Å; T508-N512 WeakPolarHBondContact O-CB 3.29Å; T508-N512 PolarHBondContact O-N 2.94Å; T508-N512 PolarHBondContact O-ND2 2.79Å; T508-N512 PolarHBondContact O-OD1 3.11Å; V510-N512 VanDerWaalsContact C-N 3.33Å; V510-N512 PolarHBondContact O-N 3.49Å; N512-Q514 VanDerWaalsContact C-N 3.29Å; N512-Q514 PolarHBondContact O-N 3.44Å; N512-I515 PolarHBondContact O-N 3.27Å; N512-E516 PolarHBondContact O-N 2.95Å
513	R	95.7	Very high	91.8	Very high	149 Å²	149	63.1 Å²	63.1	56%	0.562	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-39.7	174.6	-68.9	174.3	-169.1	-175.4	3.6	111.7	S509 V510 E516 K517	S509-R513 WeakPolarHBondContact O-CG 3.25Å; S509-R513 PolarHBondContact O-N 3.37Å; S509-R513 PolarHBondContact OG-NH2 2.91Å; V510-R513 PolarHBondContact O-N 3.42Å; R513-E516 WeakPolarHBondContact O-CB 3.5Å; R513-E516 PolarHBondContact O-N 3.43Å; R513-K517 PolarHBondContact O-N 2.79Å
514	Q	97.1	Very high	92.9	Very high	9 Å²	9	64 Å²	64	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-70	-42.5	-177.1	-159.1	53	42.5	0	0	111.3	S148 A163 D165 D169 V510 R511 N512 E516 K517 L518	S148-Q514 VanDerWaalsContact OG-CG 3.24Å; S148-Q514 WeakPolarHBondContact OG-CG 3.48Å; A163-Q514 HydrophobicContact CB-CG 4.04Å; D165-Q514 VanDerWaalsContact OD2-CG 3.23Å; D165-Q514 WeakPolarHBondContact OD2-CG 3.34Å; D165-Q514 PolarHBondContact OD2-NE2 3.31Å; D169-Q514 VanDerWaalsContact CG-NE2 3.32Å; D169-Q514 PolarHBondContact OD1-NE2 3.39Å; D169-Q514 PolarHBondContact OD2-NE2 3.05Å; V510-Q514 WeakPolarHBondContact O-CB 3.32Å; V510-Q514 PolarHBondContact O-N 3.21Å; R511-Q514 PolarHBondContact O-N 3.47Å; N512-Q514 VanDerWaalsContact C-N 3.29Å; N512-Q514 PolarHBondContact O-N 3.44Å; Q514-E516 VanDerWaalsContact C-N 3.29Å; Q514-E516 PolarHBondContact O-N 3.13Å; Q514-K517 WeakPolarHBondContact O-CB 3.25Å; Q514-K517 PolarHBondContact O-N 2.99Å; Q514-L518 WeakPolarHBondContact O-CB 3.48Å; Q514-L518 PolarHBondContact O-N 3.25Å
515	I	97.9	Very high	94.2	Very high	36 Å²	36	60.9 Å²	60.9	19%	0.185	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-38.2	168.8	-68.1	170.4	0	0	0	111.8	D149 R511 N512 K519	D149-I515 HydrophobicContact CB-CG1 4.01Å; R511-I515 HydrophobicContact CG-CD1 3.83Å; R511-I515 HydrophobicContact CG-CG1 4.41Å; R511-I515 WeakPolarHBondContact O-CB 3.37Å; R511-I515 VanDerWaalsContact O-CG1 3.27Å; R511-I515 WeakPolarHBondContact O-CG1 3.46Å; R511-I515 PolarHBondContact O-N 3.18Å; N512-I515 PolarHBondContact O-N 3.27Å; I515-K519 HydrophobicContact CG2-CD 4.17Å; I515-K519 WeakPolarHBondContact O-CB 3.47Å; I515-K519 VanDerWaalsContact O-CG 3.3Å; I515-K519 WeakPolarHBondContact O-CG 3.47Å; I515-K519 PolarHBondContact O-N 2.87Å
516	E	97.9	Very high	95.2	Very high	109 Å²	109	63.1 Å²	63.1	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-68.1	-39.6	175.1	-77.2	-174.4	-169.4	0	0	113.5	N512 R513 Q514 K520	N512-E516 PolarHBondContact O-N 2.95Å; R513-E516 WeakPolarHBondContact O-CB 3.5Å; R513-E516 PolarHBondContact O-N 3.43Å; Q514-E516 VanDerWaalsContact C-N 3.29Å; Q514-E516 PolarHBondContact O-N 3.13Å; E516-K520 WeakPolarHBondContact O-CD 3.28Å; E516-K520 VanDerWaalsContact O-CG 3.31Å; E516-K520 WeakPolarHBondContact O-CG 3.45Å; E516-K520 PolarHBondContact O-N 2.9Å; E516-K520 IonicContact OE2-NZ 3.52Å
517	K	97.2	Very high	95.9	Very high	44 Å²	44	62 Å²	62	19%	0.191	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-52.6	171	-72.6	176.6	-179.5	176.4	0	109.4	E117 D169 R513 Q514 K519 K520 I521	E117-K517 IonicContact OE1-NZ 3.76Å; E117-K517 PolarHBondContact OE1-NZ 2.95Å; E117-K517 IonicContact OE2-NZ 2.67Å; D169-K517 IonicContact OD1-NZ 3.28Å; R513-K517 PolarHBondContact O-N 2.79Å; Q514-K517 WeakPolarHBondContact O-CB 3.25Å; Q514-K517 PolarHBondContact O-N 2.99Å; K517-K519 PolarHBondContact O-N 2.93Å; K517-K520 WeakPolarHBondContact O-CB 3.32Å; K517-K520 PolarHBondContact O-N 2.61Å; K517-I521 WeakPolarHBondContact O-CG1 3.46Å; K517-I521 PolarHBondContact O-N 2.9Å
518	L	97.9	Very high	96.5	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-44.3	-177.6	-164.5	61.9	0	0	0	112.9	D147 D149 D165 T166 Q514 K520 I521 K522 T561	D147-L518 HydrophobicContact CB-CD2 3.87Å; D149-L518 HydrophobicContact CB-CD2 3.95Å; D149-L518 VanDerWaalsContact OD2-CD2 3.32Å; D149-L518 WeakPolarHBondContact OD2-CD2 3.4Å; D165-L518 HydrophobicContact CB-CD1 3.69Å; T166-L518 HydrophobicContact CG2-CD1 4.17Å; Q514-L518 WeakPolarHBondContact O-CB 3.48Å; Q514-L518 PolarHBondContact O-N 3.25Å; L518-K520 PolarHBondContact O-N 2.79Å; L518-I521 PolarHBondContact O-N 3.04Å; L518-K522 HydrophobicContact CD1-CD 4.5Å; L518-K522 HydrophobicContact CG-CD 4.19Å; L518-K522 WeakPolarHBondContact O-CB 3.47Å; L518-K522 WeakPolarHBondContact O-CG 3.38Å; L518-K522 PolarHBondContact O-N 3.31Å; L518-T561 HydrophobicContact CD1-CG2 3.59Å
519	K	98.1	Very high	97	Very high	141 Å²	141	64 Å²	64	61%	0.613	33%	0.328	S	S	*	.	H	α-helix	trans	-58.8	-45	173.8	-77.1	170.7	-179.3	173.9	0	112.4	I515 K517 S523	I515-K519 HydrophobicContact CG2-CD 4.17Å; I515-K519 WeakPolarHBondContact O-CB 3.47Å; I515-K519 VanDerWaalsContact O-CG 3.3Å; I515-K519 WeakPolarHBondContact O-CG 3.47Å; I515-K519 PolarHBondContact O-N 2.87Å; K517-K519 PolarHBondContact O-N 2.93Å; K519-S523 WeakPolarHBondContact O-CB 3.26Å; K519-S523 PolarHBondContact O-N 2.84Å; K519-S523 PolarHBondContact O-OG 2.97Å
520	K	98.3	Very high	97.4	Very high	122 Å²	122	62.3 Å²	62.3	53%	0.53	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-50.5	177.7	-69.8	162.5	-171.8	162.6	0	110.2	E516 K517 L518 S523 S524	E516-K520 WeakPolarHBondContact O-CD 3.28Å; E516-K520 VanDerWaalsContact O-CG 3.31Å; E516-K520 WeakPolarHBondContact O-CG 3.45Å; E516-K520 PolarHBondContact O-N 2.9Å; E516-K520 IonicContact OE2-NZ 3.52Å; K517-K520 WeakPolarHBondContact O-CB 3.32Å; K517-K520 PolarHBondContact O-N 2.61Å; L518-K520 PolarHBondContact O-N 2.79Å; K520-S523 PolarHBondContact O-N 3.44Å; K520-S523 VanDerWaalsContact O-N 3.13Å; K520-S523 PolarHBondContact O-OG 3.44Å; K520-S524 PolarHBondContact O-N 2.7Å; K520-S524 PolarHBondContact O-OG 3.49Å
521	I	98.3	Very high	97.7	Very high	29 Å²	29	66.8 Å²	66.8	15%	0.149	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-46.1	-178.1	-57.4	-45.2	0	0	0	112.5	T166 E168 K517 L518 S523 S524 R525 R559	T166-I521 HydrophobicContact CG2-CG2 4.2Å; E168-I521 HydrophobicContact CB-CD1 4.4Å; E168-I521 HydrophobicContact CG-CD1 3.75Å; E168-I521 HydrophobicContact CG-CG1 4.12Å; K517-I521 WeakPolarHBondContact O-CG1 3.46Å; K517-I521 PolarHBondContact O-N 2.9Å; L518-I521 PolarHBondContact O-N 3.04Å; I521-S523 PolarHBondContact O-N 3.43Å; I521-S524 PolarHBondContact O-N 3.27Å; I521-S524 PolarHBondContact O-OG 2.78Å; I521-R525 PolarHBondContact O-N 3.49Å; I521-R559 HydrophobicContact CG2-CB 3.74Å; I521-R559 HydrophobicContact CG2-CG 3.84Å
522	K	98	Very high	97.9	Very high	61 Å²	61	72.9 Å²	72.9	27%	0.265	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-29.9	175	-71.4	-179.9	-178.6	171.3	0	111.9	D147 D149 L518 T561	D147-K522 IonicContact OD2-NZ 2.96Å; D147-K522 PolarHBondContact OD2-NZ 3.39Å; D149-K522 IonicContact OD2-NZ 2.85Å; L518-K522 HydrophobicContact CD1-CD 4.5Å; L518-K522 HydrophobicContact CG-CD 4.19Å; L518-K522 WeakPolarHBondContact O-CB 3.47Å; L518-K522 WeakPolarHBondContact O-CG 3.38Å; L518-K522 PolarHBondContact O-N 3.31Å; K522-T561 VanDerWaalsContact CE-CG2 3.43Å
523	S	98	Very high	98.1	Very high	97 Å²	97	70 Å²	70	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-81.9	-22.8	176.6	75.3	0	0	0	0	115.6	K519 K520 I521	K519-S523 WeakPolarHBondContact O-CB 3.26Å; K519-S523 PolarHBondContact O-N 2.84Å; K519-S523 PolarHBondContact O-OG 2.97Å; K520-S523 PolarHBondContact O-N 3.44Å; K520-S523 VanDerWaalsContact O-N 3.13Å; K520-S523 PolarHBondContact O-OG 3.44Å; I521-S523 PolarHBondContact O-N 3.43Å
524	S	98	Very high	98.2	Very high	91 Å²	91	64 Å²	64	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-105.1	-11	-172.4	65	0	0	0	0	115.1	K520 I521	K520-S524 PolarHBondContact O-N 2.7Å; K520-S524 PolarHBondContact O-OG 3.49Å; I521-S524 PolarHBondContact O-N 3.27Å; I521-S524 PolarHBondContact O-OG 2.78Å
525	R	98.2	Very high	98.3	Very high	31 Å²	31	66.3 Å²	66.3	12%	0.117	34%	0.344	C	S	.	.	S	Bend	trans	-81	161.3	-179.5	69.9	-177.9	-175.2	-169.2	2	112.8	I521 Q527 R559 E564	I521-R525 PolarHBondContact O-N 3.49Å; R525-Q527 PolarHBondContact O-N 2.85Å; R525-R559 HydrophobicContact CB-CB 4.06Å; R525-R559 WeakPolarHBondContact CD-O 3.33Å; R525-R559 PolarHBondContact NH1-O 2.82Å; R525-E564 IonicContact CZ-OE1 3.18Å; R525-E564 IonicContact CZ-OE2 2.73Å; R525-E564 IonicContact NH1-OE1 3.25Å; R525-E564 PolarHBondContact NH1-OE1 2.8Å; R525-E564 IonicContact NH1-OE2 2.82Å; R525-E564 PolarHBondContact NH1-OE2 3.49Å; R525-E564 IonicContact NH2-OE1 2.72Å; R525-E564 PolarHBondContact NH2-OE1 2.85Å; R525-E564 IonicContact NH2-OE2 2.84Å; R525-E564 PolarHBondContact NH2-OE2 2.83Å
526	D	98.6	Very high	98.4	Very high	90 Å²	90	66.5 Å²	66.5	48%	0.481	35%	0.351	S	S	.	.			trans	-70.9	97.2	162.8	178.5	-8	0	0	0	108.9	A528 L529 A530	D526-A528 VanDerWaalsContact C-N 3.27Å; D526-A528 PolarHBondContact O-N 3.29Å; D526-A528 WeakPolarHBondContact OD1-CB 3.5Å; D526-A528 PolarHBondContact OD1-N 3.34Å; D526-L529 HydrophobicContact CB-CB 3.87Å; D526-L529 VanDerWaalsContact CG-CB 3.45Å; D526-L529 PolarHBondContact O-N 2.84Å; D526-L529 PolarHBondContact OD1-N 2.96Å; D526-L529 WeakPolarHBondContact OD2-CB 3.31Å; D526-A530 PolarHBondContact O-N 2.8Å
527	Q	98.5	Very high	98.4	Very high	75 Å²	75	61.3 Å²	61.3	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-33.9	-179.6	-178.4	59	25.6	0	0	112.5	R525 A530 E531	R525-Q527 PolarHBondContact O-N 2.85Å; Q527-A530 PolarHBondContact O-N 3.09Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.45Å; Q527-E531 PolarHBondContact NE2-OE1 2.8Å; Q527-E531 WeakPolarHBondContact O-CB 3.33Å; Q527-E531 WeakPolarHBondContact O-CG 3.31Å; Q527-E531 PolarHBondContact O-N 2.89Å
528	A	98.6	Very high	98.5	Very high	46 Å²	46	60.6 Å²	60.6	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-72.8	-32.6	178.7	0	0	0	0	0	111.6	D526 R532	D526-A528 VanDerWaalsContact C-N 3.27Å; D526-A528 PolarHBondContact O-N 3.29Å; D526-A528 WeakPolarHBondContact OD1-CB 3.5Å; D526-A528 PolarHBondContact OD1-N 3.34Å; A528-R532 VanDerWaalsContact C-NH1 3.26Å; A528-R532 VanDerWaalsContact O-CG 3.31Å; A528-R532 WeakPolarHBondContact O-CG 3.45Å; A528-R532 PolarHBondContact O-N 2.98Å; A528-R532 PolarHBondContact O-NH1 3.41Å
529	L	98.7	Very high	98.5	Very high	66 Å²	66	66.3 Å²	66.3	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-46.2	170.2	-179.4	64.2	0	0	0	111.6	D526 E531 R532 C533 A558	D526-L529 HydrophobicContact CB-CB 3.87Å; D526-L529 VanDerWaalsContact CG-CB 3.45Å; D526-L529 PolarHBondContact O-N 2.84Å; D526-L529 PolarHBondContact OD1-N 2.96Å; D526-L529 WeakPolarHBondContact OD2-CB 3.31Å; L529-E531 PolarHBondContact O-N 2.91Å; L529-R532 VanDerWaalsContact CA-NH2 3.34Å; L529-R532 PolarHBondContact O-N 3.02Å; L529-C533 PolarHBondContact O-N 3.07Å; L529-C533 PolarHBondContact O-SG 3.06Å; L529-A558 HydrophobicContact CD2-CB 3.95Å; L529-A558 HydrophobicContact CG-CB 3.82Å
530	A	98.8	Very high	98.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-55.5	-49.7	177.4	0	0	0	0	0	111.4	D526 Q527 R532 C533 L534 C560	D526-A530 PolarHBondContact O-N 2.8Å; Q527-A530 PolarHBondContact O-N 3.09Å; A530-R532 PolarHBondContact O-N 2.67Å; A530-C533 PolarHBondContact O-N 2.64Å; A530-L534 VanDerWaalsContact O-CG 3.3Å; A530-L534 WeakPolarHBondContact O-CG 3.45Å; A530-L534 PolarHBondContact O-N 3.23Å; A530-C560 VanDerWaalsContact CA-SG 3.53Å; A530-C560 PolarHBondContact O-SG 3.08Å
531	E	98.7	Very high	98.6	Very high	111 Å²	111	54.6 Å²	54.6	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-41.1	177.1	-74.8	169.2	-167.6	0	0	113.1	Q527 L529 L534 A535	Q527-E531 WeakPolarHBondContact CG-OE1 3.45Å; Q527-E531 PolarHBondContact NE2-OE1 2.8Å; Q527-E531 WeakPolarHBondContact O-CB 3.33Å; Q527-E531 WeakPolarHBondContact O-CG 3.31Å; Q527-E531 PolarHBondContact O-N 2.89Å; L529-E531 PolarHBondContact O-N 2.91Å; E531-L534 PolarHBondContact O-N 2.66Å; E531-A535 WeakPolarHBondContact O-CB 3.49Å; E531-A535 PolarHBondContact O-N 3.28Å
532	R	98.8	Very high	98.6	Very high	141 Å²	141	56.3 Å²	56.3	53%	0.532	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-43.2	175.6	-74.8	-174.1	-53.7	-91.3	5	112.4	A528 L529 A530 A535 A536	A528-R532 VanDerWaalsContact C-NH1 3.26Å; A528-R532 VanDerWaalsContact O-CG 3.31Å; A528-R532 WeakPolarHBondContact O-CG 3.45Å; A528-R532 PolarHBondContact O-N 2.98Å; A528-R532 PolarHBondContact O-NH1 3.41Å; L529-R532 VanDerWaalsContact CA-NH2 3.34Å; L529-R532 PolarHBondContact O-N 3.02Å; A530-R532 PolarHBondContact O-N 2.67Å; R532-A535 PolarHBondContact O-N 3.49Å; R532-A536 PolarHBondContact O-N 2.79Å
533	C	98.8	Very high	98.5	Very high	20 Å²	20	55.9 Å²	55.9	14%	0.135	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-39.8	178.3	-67.6	0	0	0	0	112	L529 A530 A536 L537 A555	L529-C533 PolarHBondContact O-N 3.07Å; L529-C533 PolarHBondContact O-SG 3.06Å; A530-C533 PolarHBondContact O-N 2.64Å; C533-A536 PolarHBondContact O-N 3.03Å; C533-L537 PolarHBondContact O-N 3.36Å; C533-A555 HydrophobicContact CB-CB 3.85Å
534	L	98.9	Very high	98.4	Very high	22 Å²	22	53 Å²	53	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-68.4	-35.8	175.8	-64.3	172	0	0	0	112.5	A530 E531 L537 T538 C560 E564 I565 A568	A530-L534 VanDerWaalsContact O-CG 3.3Å; A530-L534 WeakPolarHBondContact O-CG 3.45Å; A530-L534 PolarHBondContact O-N 3.23Å; E531-L534 PolarHBondContact O-N 2.66Å; L534-L537 HydrophobicContact CD2-CD1 4.37Å; L534-L537 PolarHBondContact O-N 3.27Å; L534-T538 PolarHBondContact O-N 3.28Å; L534-T538 PolarHBondContact O-OG1 3.42Å; L534-C560 HydrophobicContact CD2-CB 4.02Å; L534-C560 HydrophobicContact CG-CB 4.39Å; L534-E564 HydrophobicContact CD1-CB 3.86Å; L534-E564 HydrophobicContact CD1-CG 4.35Å; L534-E564 HydrophobicContact CD2-CB 4Å; L534-E564 WeakPolarHBondContact CD2-O 3.45Å; L534-I565 HydrophobicContact CD2-CG1 4.05Å; L534-A568 HydrophobicContact CB-CB 4.39Å; L534-A568 HydrophobicContact CD2-CB 4.17Å
535	A	98.8	Very high	98.3	Very high	59 Å²	59	54.9 Å²	54.9	49%	0.488	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-43.5	172.3	0	0	0	0	0	111.6	E531 R532 L537 T538 E539	E531-A535 WeakPolarHBondContact O-CB 3.49Å; E531-A535 PolarHBondContact O-N 3.28Å; R532-A535 PolarHBondContact O-N 3.49Å; A535-L537 PolarHBondContact O-N 3.37Å; A535-T538 WeakPolarHBondContact O-CB 3.49Å; A535-T538 PolarHBondContact O-N 2.95Å; A535-T538 VanDerWaalsContact O-N 3.16Å; A535-E539 PolarHBondContact O-N 3.14Å
536	A	98.8	Very high	98.3	Very high	39 Å²	39	56 Å²	56	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-39.7	176.4	0	0	0	0	0	112.8	R532 C533 E539 C540 L551	R532-A536 PolarHBondContact O-N 2.79Å; C533-A536 PolarHBondContact O-N 3.03Å; A536-E539 PolarHBondContact O-N 3.38Å; A536-C540 WeakPolarHBondContact O-CB 3.43Å; A536-C540 PolarHBondContact O-N 2.8Å; A536-L551 HydrophobicContact CB-CD2 4.22Å
537	L	98.8	Very high	98.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-42.9	171.4	-83.7	164.6	0	0	0	112.5	C533 L534 A535 A541 I548 L551 A552 A555 I565 A568 L569	C533-L537 PolarHBondContact O-N 3.36Å; L534-L537 HydrophobicContact CD2-CD1 4.37Å; L534-L537 PolarHBondContact O-N 3.27Å; A535-L537 PolarHBondContact O-N 3.37Å; L537-A541 WeakPolarHBondContact O-CB 3.35Å; L537-A541 PolarHBondContact O-N 2.97Å; L537-A541 VanDerWaalsContact O-N 3.08Å; L537-I548 HydrophobicContact CD2-CG2 4.16Å; L537-L551 HydrophobicContact CD2-CB 3.76Å; L537-L551 HydrophobicContact CG-CB 3.98Å; L537-A552 HydrophobicContact CD2-CB 4.24Å; L537-A555 HydrophobicContact CD1-CB 3.81Å; L537-I565 HydrophobicContact CD1-CB 4.45Å; L537-I565 HydrophobicContact CD1-CG1 4.2Å; L537-I565 HydrophobicContact CD1-CG2 4.01Å; L537-A568 HydrophobicContact CB-CB 4.26Å; L537-L569 HydrophobicContact CD2-CD2 4.4Å
538	T	98.8	Very high	98.2	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.184	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177.9	-49.3	0	0	0	0	110.8	L534 A535 A541 A542 A568 K571 V572	L534-T538 PolarHBondContact O-N 3.28Å; L534-T538 PolarHBondContact O-OG1 3.42Å; A535-T538 WeakPolarHBondContact O-CB 3.49Å; A535-T538 PolarHBondContact O-N 2.95Å; A535-T538 VanDerWaalsContact O-N 3.16Å; T538-A541 PolarHBondContact O-N 3.38Å; T538-A542 PolarHBondContact O-N 3.46Å; T538-A568 PolarHBondContact OG1-O 3.38Å; T538-K571 HydrophobicContact CG2-CB 4.1Å; T538-K571 HydrophobicContact CG2-CD 4.02Å; T538-V572 HydrophobicContact CG2-CG2 4.12Å
539	E	98.8	Very high	98.3	Very high	121 Å²	121	46.7 Å²	46.7	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-66.6	-43.3	178.6	-177.7	57.7	-147.5	0	0	112.3	A535 A536 A541 A542 S543	A535-E539 PolarHBondContact O-N 3.14Å; A536-E539 PolarHBondContact O-N 3.38Å; E539-A541 VanDerWaalsContact C-N 3.32Å; E539-A541 PolarHBondContact O-N 3.24Å; E539-A542 PolarHBondContact O-N 3.08Å; E539-A542 VanDerWaalsContact O-N 3.14Å; E539-S543 WeakPolarHBondContact O-CB 3.5Å; E539-S543 PolarHBondContact O-N 3.24Å; E539-S543 PolarHBondContact O-OG 3.37Å
540	C	98.7	Very high	98.3	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.034	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-40.1	176.2	179.1	0	0	0	0	111.9	A536 A542 G544 D545 L551	A536-C540 WeakPolarHBondContact O-CB 3.43Å; A536-C540 PolarHBondContact O-N 2.8Å; C540-A542 VanDerWaalsContact C-N 3.31Å; C540-A542 PolarHBondContact O-N 2.94Å; C540-G544 WeakPolarHBondContact O-CA 3.47Å; C540-G544 PolarHBondContact O-N 3.07Å; C540-D545 PolarHBondContact SG-O 3.37Å; C540-L551 HydrophobicContact CB-CD1 3.32Å
541	A	98.5	Very high	98.3	Very high	12 Å²	12	47.2 Å²	47.2	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-33.5	174.9	0	0	0	0	0	113	L537 T538 E539 L569 V572 F573	L537-A541 WeakPolarHBondContact O-CB 3.35Å; L537-A541 PolarHBondContact O-N 2.97Å; L537-A541 VanDerWaalsContact O-N 3.08Å; T538-A541 PolarHBondContact O-N 3.38Å; E539-A541 VanDerWaalsContact C-N 3.32Å; E539-A541 PolarHBondContact O-N 3.24Å; A541-L569 HydrophobicContact CB-CD2 3.87Å; A541-V572 HydrophobicContact CB-CB 4.04Å; A541-V572 HydrophobicContact CB-CG1 4.4Å; A541-V572 HydrophobicContact CB-CG2 3.91Å; A541-F573 HydrophobicContact CB-CE1 3.95Å; A541-F573 HydrophobicContact CB-CE2 4.02Å; A541-F573 HydrophobicContact CB-CZ 3.56Å; A541-F573 WeakPolarHBondContact O-CE1 3.25Å
542	A	98.4	Very high	98.3	Very high	65 Å²	65	42 Å²	42	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-84.1	-43.4	-178.6	0	0	0	0	0	113.9	T538 E539 C540 V572	T538-A542 PolarHBondContact O-N 3.46Å; E539-A542 PolarHBondContact O-N 3.08Å; E539-A542 VanDerWaalsContact O-N 3.14Å; C540-A542 VanDerWaalsContact C-N 3.31Å; C540-A542 PolarHBondContact O-N 2.94Å; A542-V572 HydrophobicContact CB-CG1 4.27Å; A542-V572 HydrophobicContact CB-CG2 3.99Å
543	S	97.4	Very high	98.3	Very high	52 Å²	52	35.4 Å²	35.4	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-80.7	-31.4	-179.3	57.3	0	0	0	0	113	E539 D545	E539-S543 WeakPolarHBondContact O-CB 3.5Å; E539-S543 PolarHBondContact O-N 3.24Å; E539-S543 PolarHBondContact O-OG 3.37Å; S543-D545 PolarHBondContact OG-N 3.49Å; S543-D545 VanDerWaalsContact OG-N 3.17Å
544	G	95	Very high	98.3	Very high	37 Å²	37	38.3 Å²	38.3	38%	0.381	26%	0.257	S	S	.	.			trans	79.7	-3.4	-166.6	0	0	0	0	0	114	C540	C540-G544 WeakPolarHBondContact O-CA 3.47Å; C540-G544 PolarHBondContact O-N 3.07Å
545	D	96.6	Very high	98.3	Very high	130 Å²	130	37.3 Å²	37.3	70%	0.695	25%	0.251	S	S	*	.			trans	-83.7	130.1	-179.2	-76.7	-35.7	0	0	0	111.4	C540 S543	C540-D545 PolarHBondContact SG-O 3.37Å; S543-D545 PolarHBondContact OG-N 3.49Å; S543-D545 VanDerWaalsContact OG-N 3.17Å
546	G	96.8	Very high	98.3	Very high	54 Å²	54	34.5 Å²	34.5	56%	0.557	23%	0.228	S	C	*	.	S	Bend	trans	94.5	-166	-175.3	0	0	0	0	0	113.3
547	N	98.1	Very high	98.3	Very high	16 Å²	16	37 Å²	37	9%	0.086	23%	0.23	C	C	.	.			trans	-131.4	122.9	-176.7	178.1	-71.9	0	0	0	109.3	D244 E247 L549 A550 L551	D244-N547 WeakPolarHBondContact CA-ND2 3.47Å; D244-N547 PolarHBondContact O-ND2 2.65Å; E247-N547 PolarHBondContact OE2-ND2 2.91Å; N547-L549 VanDerWaalsContact C-N 3.33Å; N547-L549 PolarHBondContact O-N 2.95Å; N547-L549 PolarHBondContact OD1-N 3.36Å; N547-L549 VanDerWaalsContact OD1-N 3.1Å; N547-A550 HydrophobicContact CB-CB 4.11Å; N547-A550 WeakPolarHBondContact O-CB 3.47Å; N547-A550 PolarHBondContact O-N 3.05Å; N547-A550 PolarHBondContact OD1-N 3.23Å; N547-L551 PolarHBondContact O-N 3.34Å
548	I	98.7	Very high	98.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-39.1	-172.6	-66.1	168.1	0	0	0	111.5	I193 I241 D244 L537 L551 A552 L569 F573	I193-I548 HydrophobicContact CD1-CB 4.47Å; I193-I548 HydrophobicContact CD1-CG2 3.89Å; I193-I548 HydrophobicContact CG1-CG2 3.97Å; I193-I548 HydrophobicContact CG2-CG2 3.99Å; I241-I548 HydrophobicContact CG1-CD1 4.04Å; D244-I548 WeakPolarHBondContact OD2-CB 3.44Å; D244-I548 WeakPolarHBondContact OD2-CG1 3.46Å; D244-I548 PolarHBondContact OD2-N 2.98Å; L537-I548 HydrophobicContact CD2-CG2 4.16Å; I548-L551 PolarHBondContact O-N 3.26Å; I548-A552 WeakPolarHBondContact O-CB 3.43Å; I548-A552 PolarHBondContact O-N 3.16Å; I548-L569 HydrophobicContact CG2-CD1 3.99Å; I548-L569 HydrophobicContact CG2-CD2 4.03Å; I548-F573 HydrophobicContact CD1-CE2 4.29Å; I548-F573 HydrophobicContact CD1-CZ 4.26Å
549	L	98.8	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-37.3	178.8	-178.6	60.6	0	0	0	111.9	I193 L196 A197 I200 I245 Y248 N547 A552 V553	I193-L549 HydrophobicContact CD1-CB 3.97Å; I193-L549 HydrophobicContact CD1-CD1 4.3Å; L196-L549 HydrophobicContact CB-CD1 4.13Å; L196-L549 HydrophobicContact CD2-CD1 4.12Å; L196-L549 HydrophobicContact CD2-CD2 3.58Å; L196-L549 HydrophobicContact CG-CD1 4.08Å; L196-L549 HydrophobicContact CG-CD2 4.19Å; A197-L549 HydrophobicContact CB-CD1 4.49Å; I200-L549 HydrophobicContact CD1-CD1 4.44Å; I200-L549 HydrophobicContact CD1-CD2 4.35Å; I245-L549 HydrophobicContact CG1-CB 4.49Å; I245-L549 HydrophobicContact CG1-CD2 4.22Å; Y248-L549 HydrophobicContact CD1-CD2 3.61Å; Y248-L549 HydrophobicContact CD1-CG 4.22Å; Y248-L549 HydrophobicContact CD2-CB 4.49Å; Y248-L549 HydrophobicContact CD2-CG 4.42Å; Y248-L549 HydrophobicContact CE1-CD2 4.28Å; Y248-L549 HydrophobicContact CG-CB 4.38Å; Y248-L549 HydrophobicContact CG-CD2 3.78Å; Y248-L549 HydrophobicContact CG-CG 4.13Å; N547-L549 VanDerWaalsContact C-N 3.33Å; N547-L549 PolarHBondContact O-N 2.95Å; N547-L549 PolarHBondContact OD1-N 3.36Å; N547-L549 VanDerWaalsContact OD1-N 3.1Å; L549-A552 PolarHBondContact O-N 2.98Å; L549-V553 WeakPolarHBondContact O-CG2 3.29Å; L549-V553 PolarHBondContact O-N 2.97Å
550	A	98.7	Very high	98.3	Very high	34 Å²	34	32.3 Å²	32.3	28%	0.281	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-47.9	176	0	0	0	0	0	111.7	Y248 N547 A552 V553 D554	Y248-A550 HydrophobicContact CD2-CB 3.93Å; Y248-A550 HydrophobicContact CE2-CB 3.81Å; N547-A550 HydrophobicContact CB-CB 4.11Å; N547-A550 WeakPolarHBondContact O-CB 3.47Å; N547-A550 PolarHBondContact O-N 3.05Å; N547-A550 PolarHBondContact OD1-N 3.23Å; A550-A552 VanDerWaalsContact C-N 3.33Å; A550-A552 PolarHBondContact O-N 2.9Å; A550-V553 WeakPolarHBondContact O-CB 3.33Å; A550-V553 PolarHBondContact O-N 2.99Å; A550-D554 PolarHBondContact O-N 3.18Å
551	L	98.8	Very high	98.3	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-31.1	178.7	-64.4	171.3	0	0	0	112.5	A536 L537 C540 N547 I548 D554 A555	A536-L551 HydrophobicContact CB-CD2 4.22Å; L537-L551 HydrophobicContact CD2-CB 3.76Å; L537-L551 HydrophobicContact CG-CB 3.98Å; C540-L551 HydrophobicContact CB-CD1 3.32Å; N547-L551 PolarHBondContact O-N 3.34Å; I548-L551 PolarHBondContact O-N 3.26Å; L551-D554 PolarHBondContact O-N 3.46Å; L551-A555 PolarHBondContact O-N 3.38Å
552	A	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-32.4	173.9	0	0	0	0	0	112.9	I193 A197 L537 I548 L549 A550 D554 A555 S556 I565	I193-A552 HydrophobicContact CG2-CB 3.27Å; A197-A552 HydrophobicContact CB-CB 3.98Å; A197-A552 WeakPolarHBondContact CB-O 3.16Å; L537-A552 HydrophobicContact CD2-CB 4.24Å; I548-A552 WeakPolarHBondContact O-CB 3.43Å; I548-A552 PolarHBondContact O-N 3.16Å; L549-A552 PolarHBondContact O-N 2.98Å; A550-A552 VanDerWaalsContact C-N 3.33Å; A550-A552 PolarHBondContact O-N 2.9Å; A552-D554 VanDerWaalsContact C-N 3.31Å; A552-A555 PolarHBondContact O-N 2.81Å; A552-S556 VanDerWaalsContact O-CB 3.23Å; A552-S556 WeakPolarHBondContact O-CB 2.92Å; A552-S556 PolarHBondContact O-N 3.38Å; A552-I565 HydrophobicContact CB-CG2 4.37Å
553	V	98.9	Very high	98.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-39.5	171.1	166.3	0	0	0	0	111	A197 I200 V201 L549 A550 R557	A197-V553 HydrophobicContact CB-CG2 4.06Å; I200-V553 HydrophobicContact CB-CG2 4.13Å; I200-V553 HydrophobicContact CD1-CG2 3.87Å; I200-V553 HydrophobicContact CG2-CG1 4.19Å; I200-V553 HydrophobicContact CG2-CG2 3.93Å; V201-V553 HydrophobicContact CG2-CG1 3.96Å; V201-V553 WeakPolarHBondContact CG2-O 3.38Å; L549-V553 WeakPolarHBondContact O-CG2 3.29Å; L549-V553 PolarHBondContact O-N 2.97Å; A550-V553 WeakPolarHBondContact O-CB 3.33Å; A550-V553 PolarHBondContact O-N 2.99Å; V553-R557 WeakPolarHBondContact O-CB 3.48Å; V553-R557 PolarHBondContact O-N 2.84Å
554	D	98.8	Very high	98.4	Very high	82 Å²	82	28.1 Å²	28.1	44%	0.439	17%	0.168	S	C	.	.	H	α-helix	trans	-68.6	-42.7	175	-67.4	-29.3	0	0	0	112	A550 L551 A552 R557 A558	A550-D554 PolarHBondContact O-N 3.18Å; L551-D554 PolarHBondContact O-N 3.46Å; A552-D554 VanDerWaalsContact C-N 3.31Å; D554-R557 PolarHBondContact O-N 3.03Å; D554-A558 WeakPolarHBondContact O-CB 3.34Å; D554-A558 PolarHBondContact O-N 3.07Å
555	A	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-44.9	174.6	0	0	0	0	0	112.5	C533 L537 L551 A552 R557 A558 R559 C560 I565	C533-A555 HydrophobicContact CB-CB 3.85Å; L537-A555 HydrophobicContact CD1-CB 3.81Å; L551-A555 PolarHBondContact O-N 3.38Å; A552-A555 PolarHBondContact O-N 2.81Å; A555-R557 VanDerWaalsContact C-N 3.34Å; A555-R557 PolarHBondContact O-N 3.32Å; A555-A558 CarbonylContact O-C 3.46Å; A555-A558 WeakPolarHBondContact O-CA 3.2Å; A555-A558 WeakPolarHBondContact O-CB 3.15Å; A555-A558 PolarHBondContact O-N 2.93Å; A555-A558 VanDerWaalsContact O-N 3.15Å; A555-R559 PolarHBondContact O-N 3.05Å; A555-C560 HydrophobicContact CB-CB 3.97Å; A555-C560 VanDerWaalsContact O-CB 3.24Å; A555-C560 WeakPolarHBondContact O-CB 3.31Å; A555-C560 PolarHBondContact O-N 3.48Å; A555-C560 PolarHBondContact O-SG 3.1Å; A555-C560 VanDerWaalsContact O-SG 3.37Å; A555-I565 HydrophobicContact CB-CD1 3.9Å; A555-I565 HydrophobicContact CB-CG1 3.88Å
556	S	98.8	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-44.9	175	173.7	0	0	0	0	111.4	N198 A552 A558 R559	N198-S556 WeakPolarHBondContact CA-OG 3.32Å; N198-S556 PolarHBondContact N-OG 3.36Å; N198-S556 WeakPolarHBondContact OD1-CB 3.45Å; N198-S556 PolarHBondContact OD1-OG 2.96Å; A552-S556 VanDerWaalsContact O-CB 3.23Å; A552-S556 WeakPolarHBondContact O-CB 2.92Å; A552-S556 PolarHBondContact O-N 3.38Å; S556-A558 VanDerWaalsContact C-N 3.3Å; S556-A558 PolarHBondContact O-N 3.43Å; S556-R559 WeakPolarHBondContact O-CA 3.46Å; S556-R559 PolarHBondContact O-N 3.12Å
557	R	98.7	Very high	98.8	Very high	93 Å²	93	21 Å²	21	35%	0.351	11%	0.108	S	C	.	.	H	α-helix	trans	-62.6	-36.7	175.4	-163.8	-172.1	-44.7	-69.4	-4.9	112.5	V201 E204 V553 D554 A555 R559	V201-R557 HydrophobicContact CG1-CB 4.24Å; V201-R557 HydrophobicContact CG1-CG 4.3Å; V201-R557 HydrophobicContact CG2-CB 4.23Å; E204-R557 IonicContact OE1-NH2 3.91Å; E204-R557 IonicContact OE2-CZ 3.18Å; E204-R557 IonicContact OE2-NH1 2.76Å; E204-R557 PolarHBondContact OE2-NH1 2.63Å; E204-R557 IonicContact OE2-NH2 2.7Å; E204-R557 PolarHBondContact OE2-NH2 3.47Å; V553-R557 WeakPolarHBondContact O-CB 3.48Å; V553-R557 PolarHBondContact O-N 2.84Å; D554-R557 PolarHBondContact O-N 3.03Å; A555-R557 VanDerWaalsContact C-N 3.34Å; A555-R557 PolarHBondContact O-N 3.32Å; R557-R559 WeakPolarHBondContact O-CD 3.22Å; R557-R559 PolarHBondContact O-N 3.02Å; R557-R559 PolarHBondContact O-NH1 2.85Å
558	A	98.8	Very high	98.8	Very high	9 Å²	9	20.4 Å²	20.4	7%	0.074	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	4	173.1	0	0	0	0	0	114.2	L529 D554 A555 S556 C560	L529-A558 HydrophobicContact CD2-CB 3.95Å; L529-A558 HydrophobicContact CG-CB 3.82Å; D554-A558 WeakPolarHBondContact O-CB 3.34Å; D554-A558 PolarHBondContact O-N 3.07Å; A555-A558 CarbonylContact O-C 3.46Å; A555-A558 WeakPolarHBondContact O-CA 3.2Å; A555-A558 WeakPolarHBondContact O-CB 3.15Å; A555-A558 PolarHBondContact O-N 2.93Å; A555-A558 VanDerWaalsContact O-N 3.15Å; S556-A558 VanDerWaalsContact C-N 3.3Å; S556-A558 PolarHBondContact O-N 3.43Å; A558-C560 PolarHBondContact O-N 2.88Å
559	R	98.8	Very high	98.8	Very high	43 Å²	43	20.4 Å²	20.4	16%	0.162	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	34.4	-176.6	-81.4	62.5	178.3	163.8	8.8	112.3	V167 E168 E205 I521 R525 A555 S556 R557	V167-R559 HydrophobicContact CG1-CG 4.13Å; E168-R559 IonicContact OE1-CZ 2.86Å; E168-R559 IonicContact OE1-NE 3.31Å; E168-R559 PolarHBondContact OE1-NE 2.83Å; E168-R559 IonicContact OE1-NH2 2.63Å; E168-R559 PolarHBondContact OE1-NH2 3.27Å; E205-R559 VanDerWaalsContact CD-NH2 3.33Å; E205-R559 IonicContact OE1-CZ 2.78Å; E205-R559 VanDerWaalsContact OE1-CZ 3.25Å; E205-R559 IonicContact OE1-NH1 3.67Å; E205-R559 PolarHBondContact OE1-NH1 3.35Å; E205-R559 IonicContact OE1-NH2 3.84Å; E205-R559 PolarHBondContact OE1-NH2 2.9Å; E205-R559 IonicContact OE2-NH2 2.72Å; E205-R559 PolarHBondContact OE2-NH2 3.44Å; I521-R559 HydrophobicContact CG2-CB 3.74Å; I521-R559 HydrophobicContact CG2-CG 3.84Å; R525-R559 HydrophobicContact CB-CB 4.06Å; R525-R559 WeakPolarHBondContact CD-O 3.33Å; R525-R559 PolarHBondContact NH1-O 2.82Å; A555-R559 PolarHBondContact O-N 3.05Å; S556-R559 WeakPolarHBondContact O-CA 3.46Å; S556-R559 PolarHBondContact O-N 3.12Å; R557-R559 WeakPolarHBondContact O-CD 3.22Å; R557-R559 PolarHBondContact O-N 3.02Å; R557-R559 PolarHBondContact O-NH1 2.85Å
560	C	98.8	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.			trans	-65.3	149.8	158	-58.8	0	0	0	0	109.8	A530 L534 A555 A558 E564 I565	A530-C560 VanDerWaalsContact CA-SG 3.53Å; A530-C560 PolarHBondContact O-SG 3.08Å; L534-C560 HydrophobicContact CD2-CB 4.02Å; L534-C560 HydrophobicContact CG-CB 4.39Å; A555-C560 HydrophobicContact CB-CB 3.97Å; A555-C560 VanDerWaalsContact O-CB 3.24Å; A555-C560 WeakPolarHBondContact O-CB 3.31Å; A555-C560 PolarHBondContact O-N 3.48Å; A555-C560 PolarHBondContact O-SG 3.1Å; A555-C560 VanDerWaalsContact O-SG 3.37Å; A558-C560 PolarHBondContact O-N 2.88Å; C560-E564 WeakPolarHBondContact CA-OE2 2.93Å; C560-I565 HydrophobicContact CB-CD1 4.13Å; C560-I565 HydrophobicContact CB-CG1 3.93Å
561	T	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.			trans	-90.4	166.4	-177.6	73.7	0	0	0	0	113.1	D147 D165 T166 L518 K522 G563 E564 I565	D147-T561 WeakPolarHBondContact OD1-CB 3.33Å; D147-T561 PolarHBondContact OD1-OG1 3.17Å; D147-T561 VanDerWaalsContact OD2-CB 3.3Å; D147-T561 WeakPolarHBondContact OD2-CB 3.47Å; D147-T561 PolarHBondContact OD2-OG1 3.13Å; D165-T561 CarbonylContact O-C 3.59Å; D165-T561 WeakPolarHBondContact O-CA 3.45Å; D165-T561 WeakPolarHBondContact O-CB 3.26Å; T166-T561 HydrophobicContact CG2-CG2 3.93Å; L518-T561 HydrophobicContact CD1-CG2 3.59Å; K522-T561 VanDerWaalsContact CE-CG2 3.43Å; T561-G563 VanDerWaalsContact C-N 3.3Å; T561-G563 PolarHBondContact O-N 3.03Å; T561-E564 HydrophobicContact CG2-CG 4.48Å; T561-E564 PolarHBondContact N-OE2 3.33Å; T561-E564 PolarHBondContact O-N 2.99Å; T561-E564 WeakPolarHBondContact OG1-CB 3.42Å; T561-E564 VanDerWaalsContact OG1-CG 3.25Å; T561-E564 WeakPolarHBondContact OG1-CG 3.21Å; T561-E564 PolarHBondContact OG1-N 2.85Å; T561-I565 WeakPolarHBondContact O-CB 3.25Å; T561-I565 VanDerWaalsContact O-CG1 3.31Å; T561-I565 WeakPolarHBondContact O-CG1 3.41Å; T561-I565 PolarHBondContact O-N 3.3Å
562	V	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-44.8	172.2	167.8	0	0	0	0	110.3	I164 D165 A191 P194 T566	I164-V562 HydrophobicContact CG2-CG2 4.35Å; I164-V562 VanDerWaalsContact O-CG2 3.29Å; I164-V562 WeakPolarHBondContact O-CG2 3.46Å; D165-V562 PolarHBondContact O-N 2.82Å; A191-V562 HydrophobicContact CB-CG1 4.27Å; P194-V562 HydrophobicContact CB-CB 4.38Å; P194-V562 HydrophobicContact CB-CG1 4.49Å; P194-V562 HydrophobicContact CB-CG2 4.06Å; P194-V562 HydrophobicContact CG-CB 4.44Å; P194-V562 HydrophobicContact CG-CG1 4.02Å; P194-V562 HydrophobicContact CG-CG2 4.41Å; V562-T566 VanDerWaalsContact O-CB 3.31Å; V562-T566 WeakPolarHBondContact O-CB 3.32Å; V562-T566 PolarHBondContact O-N 3.25Å; V562-T566 PolarHBondContact O-OG1 2.9Å
563	G	98.8	Very high	98.8	Very high	5 Å²	5	30 Å²	30	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-49	174.4	0	0	0	0	0	112.7	G145 D147 T561 I565 T566 D567	G145-G563 WeakPolarHBondContact O-CA 3.48Å; D147-G563 WeakPolarHBondContact OD1-CA 3.33Å; D147-G563 PolarHBondContact OD1-N 2.86Å; T561-G563 VanDerWaalsContact C-N 3.3Å; T561-G563 PolarHBondContact O-N 3.03Å; G563-I565 PolarHBondContact O-N 3.43Å; G563-T566 PolarHBondContact O-N 2.84Å; G563-D567 WeakPolarHBondContact O-CB 3.42Å; G563-D567 PolarHBondContact O-N 3.08Å
564	E	98.9	Very high	98.7	Very high	41 Å²	41	31.3 Å²	31.3	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-44.2	-179.3	-74.2	167.7	168.7	0	0	112.9	R525 L534 C560 T561 A568	R525-E564 IonicContact CZ-OE1 3.18Å; R525-E564 IonicContact CZ-OE2 2.73Å; R525-E564 IonicContact NH1-OE1 3.25Å; R525-E564 PolarHBondContact NH1-OE1 2.8Å; R525-E564 IonicContact NH1-OE2 2.82Å; R525-E564 PolarHBondContact NH1-OE2 3.49Å; R525-E564 IonicContact NH2-OE1 2.72Å; R525-E564 PolarHBondContact NH2-OE1 2.85Å; R525-E564 IonicContact NH2-OE2 2.84Å; R525-E564 PolarHBondContact NH2-OE2 2.83Å; L534-E564 HydrophobicContact CD1-CB 3.86Å; L534-E564 HydrophobicContact CD1-CG 4.35Å; L534-E564 HydrophobicContact CD2-CB 4Å; L534-E564 WeakPolarHBondContact CD2-O 3.45Å; C560-E564 WeakPolarHBondContact CA-OE2 2.93Å; T561-E564 HydrophobicContact CG2-CG 4.48Å; T561-E564 PolarHBondContact N-OE2 3.33Å; T561-E564 PolarHBondContact O-N 2.99Å; T561-E564 WeakPolarHBondContact OG1-CB 3.42Å; T561-E564 VanDerWaalsContact OG1-CG 3.25Å; T561-E564 WeakPolarHBondContact OG1-CG 3.21Å; T561-E564 PolarHBondContact OG1-N 2.85Å; E564-A568 WeakPolarHBondContact O-CB 3.28Å; E564-A568 PolarHBondContact O-N 3.5Å
565	I	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-41.3	176.6	-69.5	167.6	0	0	0	110.5	I193 P194 L534 L537 A552 A555 C560 T561 G563 L569	I193-I565 HydrophobicContact CG2-CG2 4.15Å; P194-I565 HydrophobicContact CB-CB 4.01Å; P194-I565 HydrophobicContact CB-CD1 3.96Å; P194-I565 HydrophobicContact CB-CG2 3.83Å; P194-I565 HydrophobicContact CG-CG2 4.25Å; L534-I565 HydrophobicContact CD2-CG1 4.05Å; L537-I565 HydrophobicContact CD1-CB 4.45Å; L537-I565 HydrophobicContact CD1-CG1 4.2Å; L537-I565 HydrophobicContact CD1-CG2 4.01Å; A552-I565 HydrophobicContact CB-CG2 4.37Å; A555-I565 HydrophobicContact CB-CD1 3.9Å; A555-I565 HydrophobicContact CB-CG1 3.88Å; C560-I565 HydrophobicContact CB-CD1 4.13Å; C560-I565 HydrophobicContact CB-CG1 3.93Å; T561-I565 WeakPolarHBondContact O-CB 3.25Å; T561-I565 VanDerWaalsContact O-CG1 3.31Å; T561-I565 WeakPolarHBondContact O-CG1 3.41Å; T561-I565 PolarHBondContact O-N 3.3Å; G563-I565 PolarHBondContact O-N 3.43Å; I565-L569 PolarHBondContact O-N 3.01Å
566	T	98.9	Very high	98.5	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-47.7	178.3	-54.6	0	0	0	0	111	G145 I232 F233 V562 G563 A568 L569 K570	G145-T566 WeakPolarHBondContact CA-OG1 3.46Å; G145-T566 WeakPolarHBondContact O-CB 3.44Å; I232-T566 HydrophobicContact CD1-CG2 3.77Å; I232-T566 HydrophobicContact CG2-CG2 3.85Å; F233-T566 HydrophobicContact CE1-CG2 4.43Å; F233-T566 HydrophobicContact CZ-CG2 3.92Å; V562-T566 VanDerWaalsContact O-CB 3.31Å; V562-T566 WeakPolarHBondContact O-CB 3.32Å; V562-T566 PolarHBondContact O-N 3.25Å; V562-T566 PolarHBondContact O-OG1 2.9Å; G563-T566 PolarHBondContact O-N 2.84Å; T566-A568 VanDerWaalsContact C-N 3.3Å; T566-A568 PolarHBondContact O-N 2.82Å; T566-L569 WeakPolarHBondContact O-CB 3.23Å; T566-L569 PolarHBondContact O-N 2.9Å; T566-K570 HydrophobicContact CG2-CG 4.46Å; T566-K570 WeakPolarHBondContact O-CG 3.45Å; T566-K570 PolarHBondContact O-N 3.09Å
567	D	98.8	Very high	98.2	Very high	69 Å²	69	42.5 Å²	42.5	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-68.1	-28	-178.4	-74.8	-10.5	0	0	0	112.3	G563 L569 K570 K571	G563-D567 WeakPolarHBondContact O-CB 3.42Å; G563-D567 PolarHBondContact O-N 3.08Å; D567-L569 VanDerWaalsContact C-N 3.31Å; D567-L569 PolarHBondContact O-N 2.84Å; D567-K570 PolarHBondContact O-N 3.19Å; D567-K570 VanDerWaalsContact OD1-CD 3.31Å; D567-K570 WeakPolarHBondContact OD1-CD 3.3Å; D567-K570 WeakPolarHBondContact OD1-CE 3.48Å; D567-K570 IonicContact OD1-NZ 2.75Å; D567-K570 PolarHBondContact OD1-NZ 2.93Å; D567-K571 WeakPolarHBondContact O-CG 3.46Å; D567-K571 PolarHBondContact O-N 3.24Å
568	A	98.8	Very high	97.7	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-39.9	168.8	0	0	0	0	0	112.3	L534 L537 T538 E564 T566	L534-A568 HydrophobicContact CB-CB 4.39Å; L534-A568 HydrophobicContact CD2-CB 4.17Å; L537-A568 HydrophobicContact CB-CB 4.26Å; T538-A568 PolarHBondContact OG1-O 3.38Å; E564-A568 WeakPolarHBondContact O-CB 3.28Å; E564-A568 PolarHBondContact O-N 3.5Å; T566-A568 VanDerWaalsContact C-N 3.3Å; T566-A568 PolarHBondContact O-N 2.82Å
569	L	98.8	Very high	97.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-75.9	-37.4	174.8	-60.3	176.2	0	0	0	112.1	F233 I241 L537 A541 I548 I565 T566 D567 K571 V572 F573	F233-L569 HydrophobicContact CE1-CB 3.72Å; F233-L569 HydrophobicContact CE2-CD1 4.37Å; F233-L569 HydrophobicContact CZ-CB 3.67Å; F233-L569 HydrophobicContact CZ-CD1 4.02Å; F233-L569 HydrophobicContact CZ-CG 4.5Å; I241-L569 HydrophobicContact CD1-CD1 4.36Å; L537-L569 HydrophobicContact CD2-CD2 4.4Å; A541-L569 HydrophobicContact CB-CD2 3.87Å; I548-L569 HydrophobicContact CG2-CD1 3.99Å; I548-L569 HydrophobicContact CG2-CD2 4.03Å; I565-L569 PolarHBondContact O-N 3.01Å; T566-L569 WeakPolarHBondContact O-CB 3.23Å; T566-L569 PolarHBondContact O-N 2.9Å; D567-L569 VanDerWaalsContact C-N 3.31Å; D567-L569 PolarHBondContact O-N 2.84Å; L569-K571 PolarHBondContact O-N 3.06Å; L569-V572 PolarHBondContact O-N 2.81Å; L569-F573 HydrophobicContact CB-CD2 4.11Å; L569-F573 HydrophobicContact CB-CE2 4.34Å; L569-F573 HydrophobicContact CD2-CE2 4.3Å; L569-F573 PolarHBondContact O-N 2.91Å
570	K	98.6	Very high	96	Very high	26 Å²	26	48.3 Å²	48.3	11%	0.113	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-29	177.6	-69.5	-175.9	-165.6	166.4	0	113.3	I232 F233 T566 D567 V572 G574 E575	I232-K570 HydrophobicContact CG2-CG 4.41Å; F233-K570 HydrophobicContact CD1-CG 4.27Å; F233-K570 HydrophobicContact CE1-CB 4.46Å; F233-K570 HydrophobicContact CE1-CG 3.67Å; T566-K570 HydrophobicContact CG2-CG 4.46Å; T566-K570 WeakPolarHBondContact O-CG 3.45Å; T566-K570 PolarHBondContact O-N 3.09Å; D567-K570 PolarHBondContact O-N 3.19Å; D567-K570 VanDerWaalsContact OD1-CD 3.31Å; D567-K570 WeakPolarHBondContact OD1-CD 3.3Å; D567-K570 WeakPolarHBondContact OD1-CE 3.48Å; D567-K570 IonicContact OD1-NZ 2.75Å; D567-K570 PolarHBondContact OD1-NZ 2.93Å; K570-V572 PolarHBondContact O-N 3.34Å; K570-V572 VanDerWaalsContact O-N 3.14Å; K570-G574 WeakPolarHBondContact O-CA 3.38Å; K570-G574 PolarHBondContact O-N 2.99Å; K570-E575 HydrophobicContact CD-CG 3.79Å; K570-E575 WeakPolarHBondContact CD-OE1 3.31Å; K570-E575 WeakPolarHBondContact CE-OE1 3.32Å; K570-E575 HydrophobicContact CG-CG 4.35Å; K570-E575 IonicContact NZ-OE1 2.75Å; K570-E575 PolarHBondContact NZ-OE1 3.29Å
571	K	98.6	Very high	95.4	Very high	153 Å²	153	54.9 Å²	54.9	67%	0.665	28%	0.276	S	S	*	.	H	α-helix	trans	-54.6	-28.6	173.8	-74.1	168.2	-170.4	170.6	0	113.2	T538 D567 L569	T538-K571 HydrophobicContact CG2-CB 4.1Å; T538-K571 HydrophobicContact CG2-CD 4.02Å; D567-K571 WeakPolarHBondContact O-CG 3.46Å; D567-K571 PolarHBondContact O-N 3.24Å; L569-K571 PolarHBondContact O-N 3.06Å
572	V	98.7	Very high	94.8	Very high	61 Å²	61	59.1 Å²	59.1	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-103.5	-48.3	178.3	-174.2	0	0	0	0	111.2	T538 A541 A542 L569 K570	T538-V572 HydrophobicContact CG2-CG2 4.12Å; A541-V572 HydrophobicContact CB-CB 4.04Å; A541-V572 HydrophobicContact CB-CG1 4.4Å; A541-V572 HydrophobicContact CB-CG2 3.91Å; A542-V572 HydrophobicContact CB-CG1 4.27Å; A542-V572 HydrophobicContact CB-CG2 3.99Å; L569-V572 PolarHBondContact O-N 2.81Å; K570-V572 PolarHBondContact O-N 3.34Å; K570-V572 VanDerWaalsContact O-N 3.14Å
573	F	98.3	Very high	94.5	Very high	38 Å²	38	59.4 Å²	59.4	17%	0.167	30%	0.298	C	S	.	.	H	α-helix	trans	-88.3	-16.2	-169.9	-58.2	-29.4	0	0	0	114.9	F233 P234 P237 I241 A541 I548 L569	F233-F573 HydrophobicContact CB-CB 4.24Å; F233-F573 HydrophobicContact CD1-CB 3.79Å; F233-F573 HydrophobicContact CD1-CD2 4.08Å; F233-F573 HydrophobicContact CD1-CG 4.47Å; F233-F573 HydrophobicContact CE1-CD2 4.42Å; F233-F573 HydrophobicContact CG-CB 4.27Å; F233-F573 HydrophobicContact CG-CD2 4.25Å; P234-F573 WeakPolarHBondContact CD-O 3.44Å; P237-F573 HydrophobicContact CB-CB 3.93Å; P237-F573 HydrophobicContact CB-CD1 3.55Å; P237-F573 HydrophobicContact CB-CD2 3.7Å; P237-F573 HydrophobicContact CB-CE1 3.9Å; P237-F573 HydrophobicContact CB-CE2 4.02Å; P237-F573 HydrophobicContact CB-CG 3.45Å; P237-F573 VanDerWaalsContact CB-CG 3.45Å; P237-F573 HydrophobicContact CB-CZ 4.11Å; P237-F573 HydrophobicContact CG-CB 3.98Å; P237-F573 HydrophobicContact CG-CD1 4.32Å; P237-F573 HydrophobicContact CG-CG 4.07Å; I241-F573 HydrophobicContact CD1-CE2 4.28Å; A541-F573 HydrophobicContact CB-CE1 3.95Å; A541-F573 HydrophobicContact CB-CE2 4.02Å; A541-F573 HydrophobicContact CB-CZ 3.56Å; A541-F573 WeakPolarHBondContact O-CE1 3.25Å; I548-F573 HydrophobicContact CD1-CE2 4.29Å; I548-F573 HydrophobicContact CD1-CZ 4.26Å; L569-F573 HydrophobicContact CB-CD2 4.11Å; L569-F573 HydrophobicContact CB-CE2 4.34Å; L569-F573 HydrophobicContact CD2-CE2 4.3Å; L569-F573 PolarHBondContact O-N 2.91Å
574	G	98.1	Very high	94.2	Very high	31 Å²	31	63.7 Å²	63.7	32%	0.32	33%	0.327	S	S	.	.			trans	65.5	-162.7	-172	0	0	0	0	0	113.7	K570	K570-G574 WeakPolarHBondContact O-CA 3.38Å; K570-G574 PolarHBondContact O-N 2.99Å
575	E	97.4	Very high	94.1	Very high	88 Å²	88	63.1 Å²	63.1	41%	0.411	33%	0.333	S	S	.	.			trans	-117.7	142.1	174.4	-65.6	-173.7	156.3	0	0	110.1	Y146 I232 K570	Y146-E575 PolarHBondContact OH-OE1 2.96Å; I232-E575 CarbonylContact O-C 3.57Å; I232-E575 WeakPolarHBondContact O-CA 3.47Å; K570-E575 HydrophobicContact CD-CG 3.79Å; K570-E575 WeakPolarHBondContact CD-OE1 3.31Å; K570-E575 WeakPolarHBondContact CE-OE1 3.32Å; K570-E575 HydrophobicContact CG-CG 4.35Å; K570-E575 IonicContact NZ-OE1 2.75Å; K570-E575 PolarHBondContact NZ-OE1 3.29Å
576	H	95.9	Very high	94	Very high	48 Å²	48	63.4 Å²	63.4	22%	0.222	34%	0.335	C	S	.	.			trans	-72.5	137	175.5	-174.2	61	0	0	0	111.7	F225 Y231 I232	F225-H576 AromaticContact CD1-CD2 3.59Å; F225-H576 AromaticContact CD1-NE2 3.83Å; F225-H576 HydrophobicContact CE1-CB 4.15Å; F225-H576 AromaticContact CE1-CD2 3.6Å; F225-H576 AromaticContact CE1-CG 3.78Å; Y231-H576 HydrophobicContact CD2-CB 3.82Å; Y231-H576 AromaticContact CD2-CD2 3.79Å; Y231-H576 HydrophobicContact CE2-CB 4.07Å; Y231-H576 AromaticContact CE2-CD2 3.57Å; Y231-H576 AromaticContact CZ-CD2 3.87Å; I232-H576 PolarHBondContact O-N 2.79Å
577	K	91.4	Very high	93.9	Very high	181 Å²	181	63.3 Å²	63.3	79%	0.787	34%	0.335	S	S	*	.			trans	-120	114.3	170.4	-63	-176.8	179.4	-176.6	0	108
578	A	89.2	Confident	93.9	Very high	45 Å²	45	66.2 Å²	66.2	37%	0.372	34%	0.34	S	S	.	.			trans	-67.2	148.4	177.4	0	0	0	0	0	110.9
579	N	84.7	Confident	93.8	Very high	157 Å²	157	72.4 Å²	72.4	84%	0.84	37%	0.369	S	S	*	.			trans	-122.9	80.4	173.5	-177.7	24.6	0	0	0	108.4
580	D	76.5	Confident	93.8	Very high	65 Å²	65	75.1 Å²	75.1	35%	0.348	38%	0.381	S	S	.	.			trans	-74.2	136.7	-170.7	-83.3	11.4	0	0	0	112.4	K465 K632	K465-D580 WeakPolarHBondContact CE-OD1 3.32Å; K465-D580 WeakPolarHBondContact CE-OD2 3.41Å; D580-K632 VanDerWaalsContact OD2-CE 3.32Å; D580-K632 WeakPolarHBondContact OD2-CE 3.32Å; D580-K632 IonicContact OD2-NZ 3.88Å; D580-K632 PolarHBondContact OD2-NZ 2.99Å
581	R	85.9	Confident	93.7	Very high	137 Å²	137	74.8 Å²	74.8	52%	0.517	38%	0.38	S	S	.	.			trans	-84.2	156.7	163.7	-59.1	-178.2	-170.6	-177.9	6.3	108.9	E461 L466	E461-R581 PolarHBondContact O-NH2 2.71Å; L466-R581 HydrophobicContact CD1-CB 4.21Å
582	M	87.6	Confident	93.6	Very high	90 Å²	90	69.4 Å²	69.4	44%	0.443	37%	0.368	S	S	.	.			trans	-111.6	131.6	177.3	-170.9	-179.1	70.9	0	0	110.5	I647	M582-I647 HydrophobicContact CG-CD1 4.04Å; M582-I647 HydrophobicContact SD-CD1 3.93Å
583	V	91.5	Very high	93.3	Very high	6 Å²	6	76.5 Å²	76.5	4%	0.036	40%	0.397	C	S	.	.			trans	-65.3	142.5	168.6	179	0	0	0	0	110.3	L466 E469 E470 A473 A586 T636	L466-V583 HydrophobicContact CD1-CG2 3.68Å; E469-V583 HydrophobicContact CB-CG2 3.51Å; E470-V583 HydrophobicContact CG-CG1 4.01Å; E470-V583 HydrophobicContact CG-CG2 4Å; A473-V583 HydrophobicContact CB-CG1 4.49Å; V583-A586 HydrophobicContact CG1-CB 3.59Å; V583-T636 VanDerWaalsContact C-OG1 3.29Å; V583-T636 WeakPolarHBondContact O-CB 3.42Å; V583-T636 PolarHBondContact O-OG1 3.37Å
584	S	92.7	Very high	93.2	Very high	94 Å²	94	76 Å²	76	66%	0.657	40%	0.398	S	S	*	.			trans	-140.5	142.1	173.8	-177.2	0	0	0	0	111	A586	S584-A586 PolarHBondContact O-N 3.43Å; S584-A586 VanDerWaalsContact O-N 3.1Å
585	G	95.9	Very high	93.2	Very high	30 Å²	30	83.7 Å²	83.7	31%	0.309	42%	0.423	S	S	.	.	S	Bend	trans	77.1	-19.4	176.3	0	0	0	0	0	116.1	Y587 R588 Q589 D640	G585-Y587 PolarHBondContact O-N 3.35Å; G585-R588 PolarHBondContact O-N 2.77Å; G585-Q589 WeakPolarHBondContact O-CB 3.4Å; G585-Q589 PolarHBondContact O-N 3.39Å; G585-D640 VanDerWaalsContact CA-OD1 3.28Å; G585-D640 WeakPolarHBondContact CA-OD1 3.39Å; G585-D640 VanDerWaalsContact CA-OD2 3.31Å; G585-D640 WeakPolarHBondContact CA-OD2 3.42Å; G585-D640 PolarHBondContact N-OD1 2.91Å; G585-D640 PolarHBondContact N-OD2 3.43Å
586	A	97	Very high	93.2	Very high	6 Å²	6	82.6 Å²	82.6	5%	0.05	42%	0.418	C	S	.	.	H	α-helix	trans	-64.2	-40.6	-174.5	0	0	0	0	0	113	A473 V583 S584 E590	A473-A586 HydrophobicContact CB-CB 4.25Å; V583-A586 HydrophobicContact CG1-CB 3.59Å; S584-A586 PolarHBondContact O-N 3.43Å; S584-A586 VanDerWaalsContact O-N 3.1Å; A586-E590 WeakPolarHBondContact O-CB 3.28Å; A586-E590 PolarHBondContact O-N 3.29Å
587	Y	98.2	Very high	93.2	Very high	1 Å²	1	80.7 Å²	80.7	0%	0.004	41%	0.409	C	S	.	.	H	α-helix	trans	-65.4	-51.8	178	178.1	-90.4	0	0	0	110.6	Q476 A477 D480 G585 Q589 E590 F591 I597 I728 P729	Q476-Y587 HydrophobicContact CB-CD2 4.42Å; Q476-Y587 HydrophobicContact CB-CE2 4.24Å; Q476-Y587 HydrophobicContact CG-CE2 4.17Å; A477-Y587 HydrophobicContact CB-CD2 3.71Å; A477-Y587 HydrophobicContact CB-CE2 3.81Å; A477-Y587 HydrophobicContact CB-CG 4.22Å; A477-Y587 VanDerWaalsContact CB-O 3.25Å; A477-Y587 WeakPolarHBondContact CB-O 3.43Å; D480-Y587 WeakPolarHBondContact CB-OH 3.29Å; D480-Y587 PolarHBondContact OD2-OH 3.1Å; G585-Y587 PolarHBondContact O-N 3.35Å; Y587-Q589 PolarHBondContact O-N 3.28Å; Y587-E590 PolarHBondContact O-N 2.61Å; Y587-F591 AromaticContact CE1-CD2 3.92Å; Y587-F591 HydrophobicContact CE1-CD2 3.92Å; Y587-F591 AromaticContact CZ-CD2 3.75Å; Y587-F591 WeakPolarHBondContact O-CB 3.36Å; Y587-F591 PolarHBondContact O-N 3.32Å; Y587-F591 WeakPolarHBondContact OH-CD2 3.35Å; Y587-F591 WeakPolarHBondContact OH-CE2 3.15Å; Y587-I597 HydrophobicContact CE1-CD1 4.35Å; Y587-I728 HydrophobicContact CD2-CD1 4.01Å; Y587-I728 HydrophobicContact CE1-CB 4.39Å; Y587-I728 HydrophobicContact CE1-CG2 4.24Å; Y587-I728 HydrophobicContact CE2-CB 4.35Å; Y587-I728 HydrophobicContact CE2-CD1 3.61Å; Y587-I728 HydrophobicContact CE2-CG1 4.4Å; Y587-P729 WeakPolarHBondContact OH-CD 3.44Å
588	R	97.3	Very high	93.5	Very high	130 Å²	130	76.5 Å²	76.5	49%	0.491	40%	0.399	S	S	.	.	H	α-helix	trans	-67	-35	-179.2	177.9	173.7	171.5	-174.8	-5.6	113.5	G585 G592 D640	G585-R588 PolarHBondContact O-N 2.77Å; R588-G592 PolarHBondContact O-N 3.19Å; R588-D640 HydrophobicContact CB-CB 3.94Å; R588-D640 VanDerWaalsContact CB-OD2 3.3Å; R588-D640 WeakPolarHBondContact CB-OD2 3.17Å; R588-D640 PolarHBondContact N-OD2 3.34Å
589	Q	97.6	Very high	93.9	Very high	132 Å²	132	77.8 Å²	77.8	62%	0.617	41%	0.405	S	S	*	.	H	α-helix	trans	-61.9	-47.5	175.9	-175.5	-173.1	37.1	0	0	111	G585 Y587 G592	G585-Q589 WeakPolarHBondContact O-CB 3.4Å; G585-Q589 PolarHBondContact O-N 3.39Å; Y587-Q589 PolarHBondContact O-N 3.28Å; Q589-G592 PolarHBondContact O-N 3.21Å
590	E	98.2	Very high	94.6	Very high	58 Å²	58	70.4 Å²	70.4	27%	0.271	37%	0.366	S	S	.	.	H	α-helix	trans	-75.5	-30.2	-176.1	-168.2	91.1	176.1	0	0	112.7	R474 A477 R478 A586 Y587 G592	R474-E590 HydrophobicContact CB-CB 4.18Å; R474-E590 HydrophobicContact CB-CG 3.82Å; R474-E590 WeakPolarHBondContact CD-OE2 3.41Å; R474-E590 HydrophobicContact CG-CB 4.05Å; R474-E590 HydrophobicContact CG-CG 4.12Å; R474-E590 WeakPolarHBondContact CG-OE2 2.99Å; R474-E590 IonicContact CZ-OE2 3.48Å; R474-E590 IonicContact NE-OE2 2.79Å; R474-E590 IonicContact NH1-OE2 3.92Å; R474-E590 PolarHBondContact NH1-OE2 3.11Å; R474-E590 WeakPolarHBondContact O-CG 3.45Å; A477-E590 HydrophobicContact CB-CB 3.85Å; A477-E590 HydrophobicContact CB-CG 4.18Å; R478-E590 WeakPolarHBondContact CD-OE1 3.15Å; R478-E590 HydrophobicContact CG-CG 3.84Å; R478-E590 IonicContact CZ-OE1 3.62Å; R478-E590 IonicContact NH1-OE1 3.53Å; R478-E590 PolarHBondContact NH1-OE1 3.04Å; A586-E590 WeakPolarHBondContact O-CB 3.28Å; A586-E590 PolarHBondContact O-N 3.29Å; Y587-E590 PolarHBondContact O-N 2.61Å; E590-G592 PolarHBondContact O-N 3.3Å
591	F	97.8	Very high	95.6	Very high	20 Å²	20	68.5 Å²	68.5	9%	0.088	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-34.4	174.4	-156.8	-68.9	0	0	0	111.6	A477 D480 Y587 S594 I597 P729	A477-F591 HydrophobicContact CB-CB 4.14Å; A477-F591 HydrophobicContact CB-CD2 4.42Å; D480-F591 HydrophobicContact CB-CD2 4.33Å; D480-F591 HydrophobicContact CB-CE2 3.67Å; Y587-F591 AromaticContact CE1-CD2 3.92Å; Y587-F591 HydrophobicContact CE1-CD2 3.92Å; Y587-F591 AromaticContact CZ-CD2 3.75Å; Y587-F591 WeakPolarHBondContact O-CB 3.36Å; Y587-F591 PolarHBondContact O-N 3.32Å; Y587-F591 WeakPolarHBondContact OH-CD2 3.35Å; Y587-F591 WeakPolarHBondContact OH-CE2 3.15Å; F591-S594 VanDerWaalsContact CE1-CB 3.47Å; F591-I597 HydrophobicContact CD1-CD1 4.19Å; F591-I597 HydrophobicContact CD1-CG1 3.68Å; F591-I597 HydrophobicContact CD2-CD1 4.02Å; F591-I597 HydrophobicContact CD2-CG1 4.42Å; F591-I597 HydrophobicContact CE1-CD1 4.35Å; F591-I597 HydrophobicContact CE1-CG1 3.85Å; F591-I597 HydrophobicContact CE2-CD1 4.11Å; F591-I597 HydrophobicContact CE2-CG1 4.5Å; F591-I597 HydrophobicContact CG-CD1 4.06Å; F591-I597 HydrophobicContact CG-CG1 4.02Å; F591-I597 HydrophobicContact CZ-CD1 4.29Å; F591-I597 HydrophobicContact CZ-CG1 4.25Å; F591-P729 HydrophobicContact CE2-CG 3.89Å; F591-P729 HydrophobicContact CZ-CG 4.26Å
592	G	95.4	Very high	96.2	Very high	39 Å²	39	68.4 Å²	68.4	40%	0.402	36%	0.359	S	S	.	.			trans	74.4	-162.9	-178.3	0	0	0	0	0	114.1	R588 Q589 E590 S594	R588-G592 PolarHBondContact O-N 3.19Å; Q589-G592 PolarHBondContact O-N 3.21Å; E590-G592 PolarHBondContact O-N 3.3Å; G592-S594 PolarHBondContact O-N 3.29Å
593	E	93.5	Very high	96.7	Very high	211 Å²	211	67.1 Å²	67.1	99%	0.986	35%	0.349	S	S	*	.	S	Bend	trans	-71.6	113.9	-177.6	-65.6	-169.5	169.9	0	0	111.8
594	S	96.2	Very high	97	Very high	27 Å²	27	67.1 Å²	67.1	19%	0.189	35%	0.349	C	S	.	.			trans	-139.9	131.7	179.9	171.6	0	0	0	0	112.8	F591 G592 E596 I597 T598	F591-S594 VanDerWaalsContact CE1-CB 3.47Å; G592-S594 PolarHBondContact O-N 3.29Å; S594-E596 PolarHBondContact O-N 2.83Å; S594-E596 WeakPolarHBondContact OG-CB 3.31Å; S594-E596 PolarHBondContact OG-N 2.98Å; S594-E596 VanDerWaalsContact OG-N 3.16Å; S594-I597 PolarHBondContact O-N 2.88Å; S594-T598 PolarHBondContact O-N 3.48Å; S594-T598 PolarHBondContact O-OG1 2.94Å; S594-T598 VanDerWaalsContact O-OG1 3.1Å
595	K	96.9	Very high	97.3	Very high	192 Å²	192	67 Å²	67	84%	0.835	34%	0.338	S	S	*	.	H	α-helix	trans	-60.4	-31.3	172.8	-66	-179.1	-179.2	176.6	0	112.3	S599	K595-S599 VanDerWaalsContact O-CB 3.28Å; K595-S599 WeakPolarHBondContact O-CB 3.31Å; K595-S599 PolarHBondContact O-N 2.93Å
596	E	97.2	Very high	97.4	Very high	66 Å²	66	71 Å²	71	31%	0.308	35%	0.347	S	S	.	.	H	α-helix	trans	-68.5	-48.4	178.4	-172.6	-179.6	-158.3	0	0	110.9	S594 T598 S599 A600 R727 P729	S594-E596 PolarHBondContact O-N 2.83Å; S594-E596 WeakPolarHBondContact OG-CB 3.31Å; S594-E596 PolarHBondContact OG-N 2.98Å; S594-E596 VanDerWaalsContact OG-N 3.16Å; E596-T598 PolarHBondContact O-N 3.43Å; E596-S599 WeakPolarHBondContact O-CB 3.42Å; E596-S599 PolarHBondContact O-N 2.9Å; E596-S599 VanDerWaalsContact O-N 3.15Å; E596-A600 PolarHBondContact O-N 2.75Å; E596-R727 IonicContact OE1-CZ 2.67Å; E596-R727 IonicContact OE1-NH1 3.82Å; E596-R727 PolarHBondContact OE1-NH1 2.9Å; E596-R727 IonicContact OE1-NH2 2.71Å; E596-R727 IonicContact OE2-CZ 2.73Å; E596-R727 IonicContact OE2-NH1 3.53Å; E596-R727 PolarHBondContact OE2-NH1 3.45Å; E596-R727 IonicContact OE2-NH2 3.73Å; E596-R727 PolarHBondContact OE2-NH2 3.34Å; E596-P729 HydrophobicContact CG-CB 3.89Å
597	I	97.4	Very high	97.5	Very high	8 Å²	8	70.7 Å²	70.7	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-47.7	174.6	-63.1	-67.9	0	0	0	110.5	Y587 F591 S594 S599 A600 I601 L641 P729	Y587-I597 HydrophobicContact CE1-CD1 4.35Å; F591-I597 HydrophobicContact CD1-CD1 4.19Å; F591-I597 HydrophobicContact CD1-CG1 3.68Å; F591-I597 HydrophobicContact CD2-CD1 4.02Å; F591-I597 HydrophobicContact CD2-CG1 4.42Å; F591-I597 HydrophobicContact CE1-CD1 4.35Å; F591-I597 HydrophobicContact CE1-CG1 3.85Å; F591-I597 HydrophobicContact CE2-CD1 4.11Å; F591-I597 HydrophobicContact CE2-CG1 4.5Å; F591-I597 HydrophobicContact CG-CD1 4.06Å; F591-I597 HydrophobicContact CG-CG1 4.02Å; F591-I597 HydrophobicContact CZ-CD1 4.29Å; F591-I597 HydrophobicContact CZ-CG1 4.25Å; S594-I597 PolarHBondContact O-N 2.88Å; I597-S599 VanDerWaalsContact C-N 3.3Å; I597-S599 PolarHBondContact O-N 2.71Å; I597-A600 PolarHBondContact O-N 2.74Å; I597-I601 HydrophobicContact CG2-CD1 3.75Å; I597-I601 WeakPolarHBondContact O-CB 3.4Å; I597-I601 VanDerWaalsContact O-CG1 3.31Å; I597-I601 WeakPolarHBondContact O-CG1 3.3Å; I597-I601 PolarHBondContact O-N 2.85Å; I597-L641 HydrophobicContact CD1-CD2 3.99Å; I597-L641 HydrophobicContact CG2-CD2 4Å; I597-P729 HydrophobicContact CD1-CB 4.15Å; I597-P729 HydrophobicContact CD1-CG 3.55Å
598	T	97.7	Very high	97.5	Very high	93 Å²	93	74.3 Å²	74.3	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-61.4	-37.3	176.7	-53.9	0	0	0	0	112.4	S594 E596 K602	S594-T598 PolarHBondContact O-N 3.48Å; S594-T598 PolarHBondContact O-OG1 2.94Å; S594-T598 VanDerWaalsContact O-OG1 3.1Å; E596-T598 PolarHBondContact O-N 3.43Å; T598-K602 VanDerWaalsContact O-CB 3.31Å; T598-K602 WeakPolarHBondContact O-CB 3.1Å; T598-K602 PolarHBondContact O-N 2.99Å
599	S	97.9	Very high	97.5	Very high	71 Å²	71	75.3 Å²	75.3	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-67.8	-45.2	176.8	-169.1	0	0	0	0	112.2	K595 E596 I597 K602 R603	K595-S599 VanDerWaalsContact O-CB 3.28Å; K595-S599 WeakPolarHBondContact O-CB 3.31Å; K595-S599 PolarHBondContact O-N 2.93Å; E596-S599 WeakPolarHBondContact O-CB 3.42Å; E596-S599 PolarHBondContact O-N 2.9Å; E596-S599 VanDerWaalsContact O-N 3.15Å; I597-S599 VanDerWaalsContact C-N 3.3Å; I597-S599 PolarHBondContact O-N 2.71Å; S599-K602 PolarHBondContact O-N 3.48Å; S599-R603 PolarHBondContact O-N 3.24Å
600	A	98	Very high	97.5	Very high	3 Å²	3	74.5 Å²	74.5	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-48.2	176.8	0	0	0	0	0	111.5	E596 I597 K602 R603 V604 L641 V733	E596-A600 PolarHBondContact O-N 2.75Å; I597-A600 PolarHBondContact O-N 2.74Å; A600-K602 VanDerWaalsContact C-N 3.29Å; A600-K602 PolarHBondContact O-N 2.96Å; A600-R603 WeakPolarHBondContact O-CB 3.34Å; A600-R603 PolarHBondContact O-N 3.29Å; A600-R603 VanDerWaalsContact O-N 3.12Å; A600-V604 WeakPolarHBondContact O-CG2 3.25Å; A600-V604 PolarHBondContact O-N 2.84Å; A600-L641 HydrophobicContact CB-CD1 4.47Å; A600-L641 HydrophobicContact CB-CD2 4.17Å; A600-V733 HydrophobicContact CB-CG2 4.04Å
601	I	98	Very high	97.4	Very high	25 Å²	25	74.2 Å²	74.2	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-57.4	-42.9	174.7	-68.8	168.6	0	0	0	110.8	I597 R603 V604 H605 L641	I597-I601 HydrophobicContact CG2-CD1 3.75Å; I597-I601 WeakPolarHBondContact O-CB 3.4Å; I597-I601 VanDerWaalsContact O-CG1 3.31Å; I597-I601 WeakPolarHBondContact O-CG1 3.3Å; I597-I601 PolarHBondContact O-N 2.85Å; I601-R603 PolarHBondContact O-N 3.12Å; I601-V604 PolarHBondContact O-N 2.92Å; I601-H605 VanDerWaalsContact CG2-CE1 3.48Å; I601-H605 WeakPolarHBondContact CG2-CE1 3.41Å; I601-H605 PolarHBondContact O-N 3.43Å; I601-H605 PolarHBondContact O-ND1 3.18Å; I601-L641 HydrophobicContact CD1-CD2 4.32Å; I601-L641 HydrophobicContact CG1-CD2 3.84Å
602	K	98.2	Very high	97.4	Very high	135 Å²	135	76.6 Å²	76.6	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-35.4	178	-174.2	175.6	-176.5	175.2	0	112.9	T598 S599 A600 K606	T598-K602 VanDerWaalsContact O-CB 3.31Å; T598-K602 WeakPolarHBondContact O-CB 3.1Å; T598-K602 PolarHBondContact O-N 2.99Å; S599-K602 PolarHBondContact O-N 3.48Å; A600-K602 VanDerWaalsContact C-N 3.29Å; A600-K602 PolarHBondContact O-N 2.96Å; K602-K606 WeakPolarHBondContact O-CG 3.36Å; K602-K606 PolarHBondContact O-N 3.2Å; K602-K606 VanDerWaalsContact O-N 3.17Å
603	R	98.3	Very high	97.5	Very high	62 Å²	62	78 Å²	78	23%	0.234	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-45.9	172.6	-79.3	-69.8	-56.6	-78.7	1.6	111.2	S599 A600 I601 H605 K606 F607 L736 D737 E740	S599-R603 PolarHBondContact O-N 3.24Å; A600-R603 WeakPolarHBondContact O-CB 3.34Å; A600-R603 PolarHBondContact O-N 3.29Å; A600-R603 VanDerWaalsContact O-N 3.12Å; I601-R603 PolarHBondContact O-N 3.12Å; R603-H605 VanDerWaalsContact C-N 3.35Å; R603-H605 PolarHBondContact O-N 3.45Å; R603-K606 WeakPolarHBondContact O-CB 3.21Å; R603-K606 PolarHBondContact O-N 3.32Å; R603-F607 PolarHBondContact O-N 3.47Å; R603-L736 HydrophobicContact CB-CD2 3.69Å; R603-D737 IonicContact CZ-OD1 3.2Å; R603-D737 IonicContact NH1-OD1 2.78Å; R603-D737 PolarHBondContact NH1-OD1 3.43Å; R603-D737 IonicContact NH2-OD1 2.66Å; R603-D737 PolarHBondContact NH2-OD1 3.49Å; R603-E740 IonicContact CZ-OE2 3.7Å; R603-E740 IonicContact NE-OE2 3.98Å; R603-E740 IonicContact NH2-OE2 3.6Å; R603-E740 PolarHBondContact NH2-OE2 3.23Å
604	V	98.5	Very high	97.8	Very high	6 Å²	6	72.9 Å²	72.9	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-38.8	177.3	173.7	0	0	0	0	112.2	A600 I601 F607 M608 P615 G642 F643 L736	A600-V604 WeakPolarHBondContact O-CG2 3.25Å; A600-V604 PolarHBondContact O-N 2.84Å; I601-V604 PolarHBondContact O-N 2.92Å; V604-F607 WeakPolarHBondContact O-CB 3.45Å; V604-F607 PolarHBondContact O-N 2.94Å; V604-M608 PolarHBondContact O-N 2.98Å; V604-P615 HydrophobicContact CG1-CG 3.93Å; V604-P615 HydrophobicContact CG2-CG 4.46Å; V604-G642 WeakPolarHBondContact CG1-O 3.4Å; V604-F643 HydrophobicContact CG2-CD2 3.96Å; V604-F643 HydrophobicContact CG2-CE2 3.59Å; V604-F643 HydrophobicContact CG2-CZ 4.43Å; V604-L736 HydrophobicContact CG2-CD2 4.41Å
605	H	98.1	Very high	97.9	Very high	91 Å²	91	71.6 Å²	71.6	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-43.6	174.3	-77.6	70.1	0	0	0	112.1	I601 R603 F607 M608 E609	I601-H605 VanDerWaalsContact CG2-CE1 3.48Å; I601-H605 WeakPolarHBondContact CG2-CE1 3.41Å; I601-H605 PolarHBondContact O-N 3.43Å; I601-H605 PolarHBondContact O-ND1 3.18Å; R603-H605 VanDerWaalsContact C-N 3.35Å; R603-H605 PolarHBondContact O-N 3.45Å; H605-F607 VanDerWaalsContact C-N 3.32Å; H605-F607 PolarHBondContact O-N 3.43Å; H605-M608 WeakPolarHBondContact O-CB 3.27Å; H605-M608 PolarHBondContact O-N 3.22Å; H605-M608 VanDerWaalsContact O-N 3.13Å; H605-E609 WeakPolarHBondContact O-CG 3.47Å; H605-E609 PolarHBondContact O-N 3.48Å
606	K	98.4	Very high	98	Very high	115 Å²	115	65.7 Å²	65.7	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-38.1	175.2	-75	-178.1	169.3	-161.4	0	113.3	K602 R603 M608 E609 R610	K602-K606 WeakPolarHBondContact O-CG 3.36Å; K602-K606 PolarHBondContact O-N 3.2Å; K602-K606 VanDerWaalsContact O-N 3.17Å; R603-K606 WeakPolarHBondContact O-CB 3.21Å; R603-K606 PolarHBondContact O-N 3.32Å; K606-M608 VanDerWaalsContact C-N 3.34Å; K606-E609 PolarHBondContact O-N 3.05Å; K606-R610 PolarHBondContact O-N 2.83Å; K606-R610 VanDerWaalsContact O-N 3.09Å
607	F	98.5	Very high	98	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-47.4	172.9	-178.4	-79.4	0	0	0	110.3	R603 V604 H605 E609 R610 E611 R613 P615 H667 L736 I739 E740 L743	R603-F607 PolarHBondContact O-N 3.47Å; V604-F607 WeakPolarHBondContact O-CB 3.45Å; V604-F607 PolarHBondContact O-N 2.94Å; H605-F607 VanDerWaalsContact C-N 3.32Å; H605-F607 PolarHBondContact O-N 3.43Å; F607-E609 VanDerWaalsContact C-N 3.33Å; F607-E609 PolarHBondContact O-N 3.21Å; F607-R610 PolarHBondContact O-N 3.08Å; F607-R610 VanDerWaalsContact O-N 3.12Å; F607-E611 HydrophobicContact CD1-CB 4.27Å; F607-E611 HydrophobicContact CD1-CG 3.96Å; F607-E611 HydrophobicContact CD2-CG 4.22Å; F607-E611 HydrophobicContact CE1-CB 3.91Å; F607-E611 HydrophobicContact CE1-CG 3.63Å; F607-E611 HydrophobicContact CE2-CG 3.91Å; F607-E611 HydrophobicContact CG-CG 4.25Å; F607-E611 HydrophobicContact CZ-CB 4.31Å; F607-E611 HydrophobicContact CZ-CG 3.61Å; F607-E611 PolarHBondContact O-N 2.79Å; F607-R613 WeakPolarHBondContact CD1-O 3.39Å; F607-P615 HydrophobicContact CD1-CB 3.91Å; F607-P615 HydrophobicContact CD1-CG 4.15Å; F607-P615 HydrophobicContact CE1-CB 3.76Å; F607-P615 HydrophobicContact CE1-CG 4.46Å; F607-P615 HydrophobicContact CG-CB 4.35Å; F607-P615 HydrophobicContact CZ-CB 4.07Å; F607-H667 AromaticContact CE1-NE2 3.96Å; F607-H667 AromaticContact CZ-CD2 3.88Å; F607-H667 AromaticContact CZ-NE2 3.67Å; F607-L736 HydrophobicContact CB-CD1 3.97Å; F607-L736 HydrophobicContact CD2-CD1 3.49Å; F607-L736 VanDerWaalsContact CD2-CD1 3.49Å; F607-L736 HydrophobicContact CD2-CG 4.34Å; F607-L736 HydrophobicContact CE2-CD1 4.11Å; F607-L736 HydrophobicContact CG-CD1 3.79Å; F607-I739 HydrophobicContact CE2-CG2 3.71Å; F607-I739 HydrophobicContact CZ-CG2 3.92Å; F607-E740 HydrophobicContact CD2-CG 3.8Å; F607-E740 HydrophobicContact CE2-CG 4.11Å; F607-L743 HydrophobicContact CE2-CD1 3.91Å; F607-L743 HydrophobicContact CZ-CD1 3.95Å
608	M	98	Very high	98.1	Very high	76 Å²	76	62.4 Å²	62.4	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-36.3	178	-174.1	-177.5	71.8	0	0	113.1	V604 H605 K606 R610 G612 R613 R614	V604-M608 PolarHBondContact O-N 2.98Å; H605-M608 WeakPolarHBondContact O-CB 3.27Å; H605-M608 PolarHBondContact O-N 3.22Å; H605-M608 VanDerWaalsContact O-N 3.13Å; K606-M608 VanDerWaalsContact C-N 3.34Å; M608-R610 VanDerWaalsContact C-N 3.33Å; M608-G612 WeakPolarHBondContact O-CA 3.28Å; M608-G612 PolarHBondContact O-N 2.67Å; M608-R613 WeakPolarHBondContact CA-O 3.28Å; M608-R614 HydrophobicContact CG-CG 4.48Å; M608-R614 HydrophobicContact SD-CG 3.87Å
609	E	97.9	Very high	98.1	Very high	152 Å²	152	58.3 Å²	58.3	71%	0.71	28%	0.281	S	S	*	.	H	α-helix	trans	-64	-34.3	173	-72.3	168.2	175.3	0	0	112.6	H605 K606 F607	H605-E609 WeakPolarHBondContact O-CG 3.47Å; H605-E609 PolarHBondContact O-N 3.48Å; K606-E609 PolarHBondContact O-N 3.05Å; F607-E609 VanDerWaalsContact C-N 3.33Å; F607-E609 PolarHBondContact O-N 3.21Å
610	R	96.9	Very high	98.2	Very high	114 Å²	114	55 Å²	55	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-85.4	-45.3	-179	-168.8	-178.9	66.5	-115	-26.5	113.4	K606 F607 M608 E740	K606-R610 PolarHBondContact O-N 2.83Å; K606-R610 VanDerWaalsContact O-N 3.09Å; F607-R610 PolarHBondContact O-N 3.08Å; F607-R610 VanDerWaalsContact O-N 3.12Å; M608-R610 VanDerWaalsContact C-N 3.33Å; R610-E740 IonicContact CZ-OE1 3.62Å; R610-E740 VanDerWaalsContact CZ-OE1 3.22Å; R610-E740 IonicContact NH1-OE1 2.71Å; R610-E740 PolarHBondContact NH1-OE1 3.43Å; R610-E740 IonicContact NH2-OE1 3.68Å; R610-E740 PolarHBondContact NH2-OE1 3.02Å
611	E	96.6	Very high	98.2	Very high	52 Å²	52	55.1 Å²	55.1	24%	0.243	26%	0.257	C	S	.	.	H	α-helix	trans	-94	-5.8	-174	-53.3	-53.7	146.3	0	0	113.7	F607 R613 L743	F607-E611 HydrophobicContact CD1-CB 4.27Å; F607-E611 HydrophobicContact CD1-CG 3.96Å; F607-E611 HydrophobicContact CD2-CG 4.22Å; F607-E611 HydrophobicContact CE1-CB 3.91Å; F607-E611 HydrophobicContact CE1-CG 3.63Å; F607-E611 HydrophobicContact CE2-CG 3.91Å; F607-E611 HydrophobicContact CG-CG 4.25Å; F607-E611 HydrophobicContact CZ-CB 4.31Å; F607-E611 HydrophobicContact CZ-CG 3.61Å; F607-E611 PolarHBondContact O-N 2.79Å; E611-R613 HydrophobicContact CB-CG 4.36Å; E611-R613 PolarHBondContact O-N 3.06Å; E611-L743 HydrophobicContact CG-CD1 4.14Å
612	G	97.5	Very high	98.1	Very high	71 Å²	71	54.3 Å²	54.3	73%	0.732	25%	0.253	S	S	*	.	S	Bend	trans	70.9	5	-177.4	0	0	0	0	0	115	M608	M608-G612 WeakPolarHBondContact O-CA 3.28Å; M608-G612 PolarHBondContact O-N 2.67Å
613	R	98.3	Very high	98	Very high	67 Å²	67	48.1 Å²	48.1	25%	0.253	23%	0.227	S	C	.	.	S	Bend	trans	-149.8	155.9	-179.2	64.4	-174.6	-69.2	-169.2	-5.5	111.8	F607 M608 E611 D665 H667	F607-R613 WeakPolarHBondContact CD1-O 3.39Å; M608-R613 WeakPolarHBondContact CA-O 3.28Å; E611-R613 HydrophobicContact CB-CG 4.36Å; E611-R613 PolarHBondContact O-N 3.06Å; R613-D665 IonicContact CZ-OD2 3.3Å; R613-D665 IonicContact NH1-OD2 3.66Å; R613-D665 PolarHBondContact NH1-OD2 3.16Å; R613-D665 PolarHBondContact NH2-O 3.5Å; R613-D665 IonicContact NH2-OD2 3.63Å; R613-H667 PolarHBondContact NE-CE1 3.29Å
614	R	98.5	Very high	97.9	Very high	105 Å²	105	45.1 Å²	45.1	40%	0.396	22%	0.216	S	C	.	.			trans	-62.5	147.7	170.4	-72.8	178.3	-72.2	131.5	7.6	110.4	M608 R616 G642 F643 D644	M608-R614 HydrophobicContact CG-CG 4.48Å; M608-R614 HydrophobicContact SD-CG 3.87Å; R614-R616 PolarHBondContact O-N 3.14Å; R614-G642 WeakPolarHBondContact CD-O 3.31Å; R614-G642 WeakPolarHBondContact CG-O 3.42Å; R614-F643 PolarHBondContact NH1-O 3.05Å; R614-F643 VanDerWaalsContact NH1-O 3.13Å; R614-D644 HydrophobicContact CB-CB 4.05Å; R614-D644 IonicContact CZ-OD1 2.71Å; R614-D644 IonicContact NH1-OD1 2.7Å; R614-D644 PolarHBondContact NH1-OD1 3.26Å; R614-D644 IonicContact NH2-OD1 3.22Å; R614-D644 PolarHBondContact NH2-OD1 2.94Å; R614-D644 IonicContact NH2-OD2 3.44Å
615	P	98.6	Very high	97.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.			trans	-61.7	127	169.8	28	-32.7	0	0	0	108.2	V604 F607 F643 D644 L736	V604-P615 HydrophobicContact CG1-CG 3.93Å; V604-P615 HydrophobicContact CG2-CG 4.46Å; F607-P615 HydrophobicContact CD1-CB 3.91Å; F607-P615 HydrophobicContact CD1-CG 4.15Å; F607-P615 HydrophobicContact CE1-CB 3.76Å; F607-P615 HydrophobicContact CE1-CG 4.46Å; F607-P615 HydrophobicContact CG-CB 4.35Å; F607-P615 HydrophobicContact CZ-CB 4.07Å; P615-F643 HydrophobicContact CB-CD1 3.81Å; P615-F643 HydrophobicContact CB-CE1 3.72Å; P615-F643 HydrophobicContact CB-CZ 4.39Å; P615-F643 HydrophobicContact CG-CD1 3.66Å; P615-F643 HydrophobicContact CG-CD2 4.23Å; P615-F643 HydrophobicContact CG-CE1 3.74Å; P615-F643 HydrophobicContact CG-CE2 4.3Å; P615-F643 HydrophobicContact CG-CG 3.91Å; P615-F643 HydrophobicContact CG-CZ 4.06Å; P615-F643 WeakPolarHBondContact O-CD1 3.43Å; P615-D644 PolarHBondContact O-N 3.43Å; P615-L736 HydrophobicContact CB-CD1 3.82Å; P615-L736 HydrophobicContact CG-CD1 3.88Å
616	R	98.8	Very high	97.6	Very high	68 Å²	68	41 Å²	41	26%	0.257	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.5	-172.3	-172.6	177.4	-75.1	176.9	-12.7	111.4	R614 D644 D646 A664 V666 H667 A668	R614-R616 PolarHBondContact O-N 3.14Å; R616-D644 CarbonylContact C-O 3.56Å; R616-D644 VanDerWaalsContact CA-O 3.24Å; R616-D644 WeakPolarHBondContact CA-O 3.44Å; R616-D644 HydrophobicContact CB-CB 4.18Å; R616-D644 HydrophobicContact CG-CB 4.15Å; R616-D644 IonicContact CZ-OD2 3.94Å; R616-D644 IonicContact NE-OD2 2.67Å; R616-D644 PolarHBondContact NE-OD2 3.31Å; R616-D644 IonicContact NH2-OD2 2.78Å; R616-D644 PolarHBondContact NH2-OD2 2.96Å; R616-D646 WeakPolarHBondContact CD-OD2 3.41Å; R616-A664 VanDerWaalsContact CD-O 3.3Å; R616-A664 WeakPolarHBondContact CD-O 3.48Å; R616-A664 PolarHBondContact NH1-O 3.05Å; R616-V666 HydrophobicContact CG-CB 4.25Å; R616-V666 HydrophobicContact CG-CG1 3.91Å; R616-H667 PolarHBondContact N-ND1 2.63Å; R616-H667 PolarHBondContact O-N 3.17Å; R616-A668 PolarHBondContact O-N 3.43Å
617	L	98.8	Very high	97.5	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.3	-174.9	175.6	67.1	0	0	0	110.1	V619 F638 F643 D644 V645 D646 A668	L617-V619 HydrophobicContact CD2-CG2 3.83Å; L617-V619 HydrophobicContact CG-CG2 3.97Å; L617-F638 HydrophobicContact CD2-CD1 3.59Å; L617-F638 HydrophobicContact CD2-CE1 3.82Å; L617-F638 HydrophobicContact CD2-CG 4.31Å; L617-F643 HydrophobicContact CB-CD1 4.43Å; L617-D644 PolarHBondContact N-O 3.45Å; L617-V645 WeakPolarHBondContact O-CA 3.4Å; L617-D646 PolarHBondContact O-N 2.72Å; L617-A668 WeakPolarHBondContact CA-O 3.41Å; L617-A668 HydrophobicContact CD1-CB 3.96Å
618	L	98.7	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112	164.9	174	61.1	0	0	0	109	A620 D646 V657 Q660 A661 V666 A668 V669 G670	L618-A620 HydrophobicContact CD2-CB 4.45Å; L618-A620 HydrophobicContact CG-CB 4.14Å; L618-D646 CarbonylContact C-O 3.58Å; L618-D646 WeakPolarHBondContact CA-O 3.33Å; L618-D646 HydrophobicContact CB-CB 4.49Å; L618-D646 HydrophobicContact CD1-CB 3.82Å; L618-V657 HydrophobicContact CD2-CG1 4.06Å; L618-Q660 HydrophobicContact CD1-CG 4.29Å; L618-Q660 HydrophobicContact CD2-CB 4.25Å; L618-Q660 HydrophobicContact CD2-CG 4.1Å; L618-A661 HydrophobicContact CD2-CB 3.92Å; L618-V666 HydrophobicContact CB-CB 4.48Å; L618-V666 HydrophobicContact CB-CG1 3.97Å; L618-V666 HydrophobicContact CB-CG2 4.2Å; L618-A668 PolarHBondContact N-O 2.62Å; L618-V669 HydrophobicContact CB-CG1 4.5Å; L618-V669 HydrophobicContact CB-CG2 4.4Å; L618-V669 HydrophobicContact CD2-CG1 4.32Å; L618-V669 HydrophobicContact CD2-CG2 4.39Å; L618-V669 HydrophobicContact CG-CG1 4.39Å; L618-V669 CarbonylContact O-C 3.56Å; L618-V669 WeakPolarHBondContact O-CA 3.23Å; L618-G670 PolarHBondContact O-N 2.96Å
619	V	98.5	Very high	97.3	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.4	170.4	-176.3	0	0	0	0	108.2	L617 A631 I634 A635 V645 D646 G648 G670	L617-V619 HydrophobicContact CD2-CG2 3.83Å; L617-V619 HydrophobicContact CG-CG2 3.97Å; V619-A631 HydrophobicContact CG1-CB 3.8Å; V619-I634 HydrophobicContact CG2-CG2 4.16Å; V619-A635 HydrophobicContact CG2-CB 4.34Å; V619-V645 HydrophobicContact CG2-CG1 3.9Å; V619-D646 PolarHBondContact N-O 2.85Å; V619-G648 PolarHBondContact O-N 2.91Å; V619-G670 WeakPolarHBondContact CA-O 3.28Å
620	A	98.3	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.8	-171.3	0	0	0	0	0	114	L618 V657 V669 G670 I671 S672	L618-A620 HydrophobicContact CD2-CB 4.45Å; L618-A620 HydrophobicContact CG-CB 4.14Å; A620-V657 HydrophobicContact CB-CG1 3.74Å; A620-V657 HydrophobicContact CB-CG2 4.08Å; A620-V669 HydrophobicContact CB-CG1 4.36Å; A620-G670 PolarHBondContact N-O 3.38Å; A620-I671 HydrophobicContact CB-CD1 3.95Å; A620-S672 PolarHBondContact O-N 2.82Å
621	K	97.8	Very high	97.2	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.026	15%	0.154	C	C	.	.			trans	-110.5	144.3	169	-62.2	-63.2	-59.4	-176.8	0	108.2	D625 H627 A631 L650 S672	K621-D625 WeakPolarHBondContact CE-O 3.48Å; K621-D625 WeakPolarHBondContact CE-OD2 3.49Å; K621-D625 IonicContact NZ-OD1 2.83Å; K621-D625 IonicContact NZ-OD2 3.57Å; K621-D625 PolarHBondContact NZ-OD2 3.4Å; K621-H627 VanDerWaalsContact CE-O 3.27Å; K621-H627 WeakPolarHBondContact CE-O 3.32Å; K621-H627 PolarHBondContact NZ-O 3.07Å; K621-A631 HydrophobicContact CD-CB 4.29Å; K621-L650 HydrophobicContact CB-CD2 4.28Å; K621-L650 HydrophobicContact CG-CD2 3.98Å; K621-S672 WeakPolarHBondContact CD-O 3.33Å; K621-S672 VanDerWaalsContact CE-O 3.29Å; K621-S672 WeakPolarHBondContact CE-O 3.16Å; K621-S672 PolarHBondContact NZ-O 3.28Å
622	M	97.1	Very high	97.2	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.044	15%	0.146	C	C	.	.			trans	-130.9	153.2	176	-68.6	-169.5	-63.4	0	0	110.9	Q652 P654 V657 I671 L681 V682 L685	M622-Q652 WeakPolarHBondContact CA-O 3.49Å; M622-P654 HydrophobicContact SD-CB 3.9Å; M622-P654 HydrophobicContact SD-CG 3.87Å; M622-V657 HydrophobicContact CG-CB 4.5Å; M622-V657 HydrophobicContact CG-CG2 3.71Å; M622-V657 HydrophobicContact SD-CB 4.47Å; M622-V657 HydrophobicContact SD-CG2 4.29Å; M622-I671 HydrophobicContact CE-CB 4.47Å; M622-I671 HydrophobicContact CE-CD1 3.83Å; M622-I671 HydrophobicContact CE-CG1 3.88Å; M622-I671 HydrophobicContact CE-CG2 3.77Å; M622-I671 HydrophobicContact CG-CD1 4.33Å; M622-I671 HydrophobicContact SD-CD1 4.22Å; M622-L681 HydrophobicContact CB-CB 4.31Å; M622-L681 HydrophobicContact CB-CD1 4.02Å; M622-L681 HydrophobicContact CE-CB 3.88Å; M622-L681 HydrophobicContact SD-CB 4.48Å; M622-V682 HydrophobicContact CE-CG2 4.18Å; M622-L685 HydrophobicContact CE-CB 4.11Å; M622-L685 HydrophobicContact CE-CD2 3.98Å; M622-L685 HydrophobicContact SD-CB 3.98Å; M622-L685 HydrophobicContact SD-CD1 4.47Å; M622-L685 HydrophobicContact SD-CD2 4.12Å; M622-L685 HydrophobicContact SD-CG 4.43Å
623	G	95.9	Very high	97.2	Very high	4 Å²	4	23.6 Å²	23.6	4%	0.041	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-151	-176.8	0	0	0	0	0	111.3	F651 Q652	G623-F651 WeakPolarHBondContact O-CA 3.34Å; G623-Q652 PolarHBondContact N-O 3.39Å; G623-Q652 VanDerWaalsContact N-O 3.15Å
624	Q	97	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8.2	179.9	-57.5	-49	-69.7	0	0	113.8	L140 R152 V153 D156 G626	L140-Q624 HydrophobicContact CB-CB 3.6Å; L140-Q624 HydrophobicContact CD1-CB 4.44Å; R152-Q624 PolarHBondContact O-NE2 3.31Å; V153-Q624 HydrophobicContact CB-CG 4.31Å; V153-Q624 HydrophobicContact CG1-CG 3.67Å; D156-Q624 HydrophobicContact CB-CB 4.35Å; D156-Q624 HydrophobicContact CB-CG 4.32Å; D156-Q624 WeakPolarHBondContact OD1-CB 3.45Å; D156-Q624 PolarHBondContact OD1-N 2.83Å; D156-Q624 PolarHBondContact OD2-N 2.94Å; Q624-G626 PolarHBondContact O-N 3.19Å
625	D	95.3	Very high	97.2	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.027	10%	0.095	C	C	.	.			trans	-66.5	101.7	-175.8	-174.9	8.3	0	0	0	113.1	K621 H627 L674 A675	K621-D625 WeakPolarHBondContact CE-O 3.48Å; K621-D625 WeakPolarHBondContact CE-OD2 3.49Å; K621-D625 IonicContact NZ-OD1 2.83Å; K621-D625 IonicContact NZ-OD2 3.57Å; K621-D625 PolarHBondContact NZ-OD2 3.4Å; D625-H627 WeakPolarHBondContact OD1-CB 3.44Å; D625-H627 IonicContact OD1-CE1 3.6Å; D625-H627 IonicContact OD1-CG 3.63Å; D625-H627 PolarHBondContact OD1-N 3.2Å; D625-H627 VanDerWaalsContact OD1-N 3.08Å; D625-H627 IonicContact OD1-ND1 2.68Å; D625-H627 PolarHBondContact OD1-ND1 3.13Å; D625-L674 PolarHBondContact OD2-N 3.15Å; D625-A675 HydrophobicContact CB-CB 3.77Å; D625-A675 PolarHBondContact OD2-N 3.45Å
626	G	95.1	Very high	97.1	Very high	4 Å²	4	17.9 Å²	17.9	4%	0.041	10%	0.096	C	C	.	.			trans	-78.8	-6	178.5	0	0	0	0	0	115.8	N229 Q624 D628	N229-G626 PolarHBondContact ND2-O 3.4Å; Q624-G626 PolarHBondContact O-N 3.19Å; G626-D628 PolarHBondContact O-N 3.47Å
627	H	94.3	Very high	97.1	Very high	105 Å²	105	14.6 Å²	14.6	49%	0.486	8%	0.083	S	C	.	.			trans	-73.6	99.9	-175.6	-57.7	94.5	0	0	0	111.4	K621 D625 L674	K621-H627 VanDerWaalsContact CE-O 3.27Å; K621-H627 WeakPolarHBondContact CE-O 3.32Å; K621-H627 PolarHBondContact NZ-O 3.07Å; D625-H627 WeakPolarHBondContact OD1-CB 3.44Å; D625-H627 IonicContact OD1-CE1 3.6Å; D625-H627 IonicContact OD1-CG 3.63Å; D625-H627 PolarHBondContact OD1-N 3.2Å; D625-H627 VanDerWaalsContact OD1-N 3.08Å; D625-H627 IonicContact OD1-ND1 2.68Å; D625-H627 PolarHBondContact OD1-ND1 3.13Å; H627-L674 HydrophobicContact CB-CB 3.98Å; H627-L674 HydrophobicContact CB-CD1 4.06Å; H627-L674 HydrophobicContact CB-CD2 3.99Å; H627-L674 HydrophobicContact CB-CG 4.23Å
628	D	96.7	Very high	97.1	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.053	8%	0.083	C	C	.	.			trans	-102.3	-19.8	-173.3	62.9	4.4	0	0	0	114.4	N229 K465 G626 G630 A631 K632	N229-D628 PolarHBondContact ND2-OD2 3.42Å; K465-D628 IonicContact NZ-OD2 3.65Å; K465-D628 PolarHBondContact NZ-OD2 3.45Å; G626-D628 PolarHBondContact O-N 3.47Å; D628-G630 VanDerWaalsContact C-N 3.35Å; D628-G630 PolarHBondContact O-N 3.38Å; D628-A631 CarbonylContact O-C 3.55Å; D628-A631 WeakPolarHBondContact O-CA 3.33Å; D628-A631 WeakPolarHBondContact O-CB 3.37Å; D628-A631 PolarHBondContact O-N 2.94Å; D628-K632 HydrophobicContact CB-CG 4.3Å; D628-K632 PolarHBondContact O-N 3.25Å
629	R	97	Very high	97	Very high	28 Å²	28	16 Å²	16	11%	0.106	10%	0.095	C	C	.	.	H	α-helix	trans	-42.9	-55.3	-178.9	-178.8	-177.9	179	173.6	-7.6	113.2	E268 A269 W356 A472 A631 K632 V633	E268-R629 VanDerWaalsContact O-CD 3.25Å; E268-R629 WeakPolarHBondContact O-CD 3.45Å; E268-R629 PolarHBondContact O-NH1 2.73Å; A269-R629 VanDerWaalsContact O-CD 3.27Å; A269-R629 WeakPolarHBondContact O-CD 3.44Å; A269-R629 WeakPolarHBondContact O-CG 3.41Å; W356-R629 VanDerWaalsContact CD1-NH1 3.3Å; W356-R629 VanDerWaalsContact CD2-NH1 3.32Å; W356-R629 VanDerWaalsContact CE2-CZ 3.44Å; W356-R629 VanDerWaalsContact NE1-CZ 3.31Å; A472-R629 HydrophobicContact CB-CG 4.21Å; R629-A631 PolarHBondContact O-N 2.82Å; R629-K632 PolarHBondContact O-N 2.93Å; R629-V633 HydrophobicContact CG-CG2 4.48Å; R629-V633 VanDerWaalsContact O-CB 3.26Å; R629-V633 WeakPolarHBondContact O-CB 3.47Å; R629-V633 VanDerWaalsContact O-CG2 3.23Å; R629-V633 WeakPolarHBondContact O-CG2 3.42Å; R629-V633 PolarHBondContact O-N 3.33Å
630	G	95.1	Very high	97	Very high	38 Å²	38	16.3 Å²	16.3	39%	0.392	10%	0.096	S	C	.	.	H	α-helix	trans	-63.2	-39.8	179.6	0	0	0	0	0	112.9	D628 I634	D628-G630 VanDerWaalsContact C-N 3.35Å; D628-G630 PolarHBondContact O-N 3.38Å; G630-I634 WeakPolarHBondContact O-CB 3.19Å; G630-I634 VanDerWaalsContact O-CG1 3.23Å; G630-I634 WeakPolarHBondContact O-CG1 3.45Å; G630-I634 PolarHBondContact O-N 2.72Å
631	A	97.2	Very high	97	Very high	9 Å²	9	16.5 Å²	16.5	7%	0.074	10%	0.097	C	C	.	.	H	α-helix	trans	-65.5	-47.6	177.1	0	0	0	0	0	112	V619 K621 D628 R629 I634 A635	V619-A631 HydrophobicContact CG1-CB 3.8Å; K621-A631 HydrophobicContact CD-CB 4.29Å; D628-A631 CarbonylContact O-C 3.55Å; D628-A631 WeakPolarHBondContact O-CA 3.33Å; D628-A631 WeakPolarHBondContact O-CB 3.37Å; D628-A631 PolarHBondContact O-N 2.94Å; R629-A631 PolarHBondContact O-N 2.82Å; A631-I634 PolarHBondContact O-N 2.84Å; A631-A635 VanDerWaalsContact O-CB 3.3Å; A631-A635 WeakPolarHBondContact O-CB 3.19Å; A631-A635 PolarHBondContact O-N 3.37Å
632	K	97.3	Very high	97	Very high	16 Å²	16	17.2 Å²	17.2	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-64.6	-40.8	178.3	-68.3	-61.4	-167.2	79	0	112.3	E469 D580 D628 R629 A635 T636 I647	E469-K632 IonicContact OE1-NZ 3.3Å; E469-K632 PolarHBondContact OE1-NZ 3.09Å; E469-K632 IonicContact OE2-NZ 3.4Å; E469-K632 PolarHBondContact OE2-NZ 2.99Å; D580-K632 VanDerWaalsContact OD2-CE 3.32Å; D580-K632 WeakPolarHBondContact OD2-CE 3.32Å; D580-K632 IonicContact OD2-NZ 3.88Å; D580-K632 PolarHBondContact OD2-NZ 2.99Å; D628-K632 HydrophobicContact CB-CG 4.3Å; D628-K632 PolarHBondContact O-N 3.25Å; R629-K632 PolarHBondContact O-N 2.93Å; K632-A635 PolarHBondContact O-N 2.85Å; K632-T636 WeakPolarHBondContact O-CG2 3.46Å; K632-T636 PolarHBondContact O-N 3.37Å; K632-I647 HydrophobicContact CD-CD1 4.13Å
633	V	97.3	Very high	97	Very high	9 Å²	9	16.9 Å²	16.9	6%	0.055	11%	0.105	C	C	.	.	H	α-helix	trans	-68.3	-41.1	177.8	167.4	0	0	0	0	111.8	A472 Q476 R629 G637 I728	A472-V633 HydrophobicContact CB-CG2 3.87Å; Q476-V633 HydrophobicContact CB-CG1 3.56Å; Q476-V633 HydrophobicContact CG-CG1 3.61Å; R629-V633 HydrophobicContact CG-CG2 4.48Å; R629-V633 VanDerWaalsContact O-CB 3.26Å; R629-V633 WeakPolarHBondContact O-CB 3.47Å; R629-V633 VanDerWaalsContact O-CG2 3.23Å; R629-V633 WeakPolarHBondContact O-CG2 3.42Å; R629-V633 PolarHBondContact O-N 3.33Å; V633-G637 PolarHBondContact O-N 3.11Å; V633-I728 HydrophobicContact CG1-CD1 3.82Å; V633-I728 WeakPolarHBondContact O-CD1 3.41Å
634	I	98	Very high	97.2	Very high	49 Å²	49	18.2 Å²	18.2	25%	0.251	11%	0.111	S	C	.	.	H	α-helix	trans	-59.7	-47.3	168.5	-71.6	-65.7	0	0	0	110.4	V619 G630 A631 G637 F638 I728	V619-I634 HydrophobicContact CG2-CG2 4.16Å; G630-I634 WeakPolarHBondContact O-CB 3.19Å; G630-I634 VanDerWaalsContact O-CG1 3.23Å; G630-I634 WeakPolarHBondContact O-CG1 3.45Å; G630-I634 PolarHBondContact O-N 2.72Å; A631-I634 PolarHBondContact O-N 2.84Å; I634-G637 PolarHBondContact O-N 2.94Å; I634-F638 HydrophobicContact CD1-CE2 4.23Å; I634-F638 HydrophobicContact CG2-CD2 3.92Å; I634-F638 HydrophobicContact CG2-CE2 4.02Å; I634-F638 HydrophobicContact CG2-CG 4.46Å; I634-F638 WeakPolarHBondContact O-CB 3.19Å; I634-F638 WeakPolarHBondContact O-CD2 3.45Å; I634-F638 PolarHBondContact O-N 3.15Å; I634-I728 HydrophobicContact CD1-CG1 4Å
635	A	97.7	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-49.6	-175	0	0	0	0	0	112.8	V619 A631 K632 A639 V645 I647	V619-A635 HydrophobicContact CG2-CB 4.34Å; A631-A635 VanDerWaalsContact O-CB 3.3Å; A631-A635 WeakPolarHBondContact O-CB 3.19Å; A631-A635 PolarHBondContact O-N 3.37Å; K632-A635 PolarHBondContact O-N 2.85Å; A635-A639 WeakPolarHBondContact O-CB 3.45Å; A635-A639 PolarHBondContact O-N 3.11Å; A635-V645 HydrophobicContact CB-CG1 3.77Å; A635-I647 HydrophobicContact CB-CD1 3.98Å; A635-I647 HydrophobicContact CB-CG1 4.03Å
636	T	97.4	Very high	97.3	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-40.4	176.4	-167.1	0	0	0	0	111.7	A473 V583 K632 A639 D640	A473-T636 HydrophobicContact CB-CG2 3.95Å; V583-T636 VanDerWaalsContact C-OG1 3.29Å; V583-T636 WeakPolarHBondContact O-CB 3.42Å; V583-T636 PolarHBondContact O-OG1 3.37Å; K632-T636 WeakPolarHBondContact O-CG2 3.46Å; K632-T636 PolarHBondContact O-N 3.37Å; T636-A639 PolarHBondContact O-N 3.24Å; T636-D640 WeakPolarHBondContact O-CB 3.36Å; T636-D640 PolarHBondContact O-N 3.02Å
637	G	97.9	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.1	-39.4	178.5	0	0	0	0	0	113.8	V633 I634 L641	V633-G637 PolarHBondContact O-N 3.11Å; I634-G637 PolarHBondContact O-N 2.94Å; G637-L641 VanDerWaalsContact O-CG 3.29Å; G637-L641 WeakPolarHBondContact O-CG 3.29Å; G637-L641 PolarHBondContact O-N 3.38Å
638	F	98.5	Very high	97.5	Very high	5 Å²	5	19 Å²	19	2%	0.022	12%	0.119	C	C	.	.	H	α-helix	trans	-70.7	-39.3	175	-86.9	-126.3	0	0	0	111.5	L617 I634 L641 G642 F643 V645 I728 A731 A732 V735	L617-F638 HydrophobicContact CD2-CD1 3.59Å; L617-F638 HydrophobicContact CD2-CE1 3.82Å; L617-F638 HydrophobicContact CD2-CG 4.31Å; I634-F638 HydrophobicContact CD1-CE2 4.23Å; I634-F638 HydrophobicContact CG2-CD2 3.92Å; I634-F638 HydrophobicContact CG2-CE2 4.02Å; I634-F638 HydrophobicContact CG2-CG 4.46Å; I634-F638 WeakPolarHBondContact O-CB 3.19Å; I634-F638 WeakPolarHBondContact O-CD2 3.45Å; I634-F638 PolarHBondContact O-N 3.15Å; F638-L641 CarbonylContact O-C 3.51Å; F638-L641 PolarHBondContact O-N 3.34Å; F638-G642 PolarHBondContact O-N 3.46Å; F638-F643 HydrophobicContact CB-CB 4.13Å; F638-F643 HydrophobicContact CB-CD2 4.26Å; F638-F643 HydrophobicContact CB-CG 4.2Å; F638-F643 AromaticContact CD1-CD1 3.86Å; F638-F643 HydrophobicContact CD1-CD1 3.86Å; F638-F643 AromaticContact CD1-CD2 3.88Å; F638-F643 HydrophobicContact CD1-CD2 3.88Å; F638-F643 AromaticContact CD1-CE1 3.93Å; F638-F643 HydrophobicContact CD1-CE1 3.93Å; F638-F643 AromaticContact CD1-CE2 3.96Å; F638-F643 HydrophobicContact CD1-CE2 3.96Å; F638-F643 AromaticContact CD1-CG 3.85Å; F638-F643 HydrophobicContact CD1-CG 3.85Å; F638-F643 AromaticContact CD1-CZ 3.98Å; F638-F643 HydrophobicContact CD1-CZ 3.98Å; F638-F643 HydrophobicContact CE1-CE1 4.17Å; F638-F643 HydrophobicContact CE1-CE2 4.37Å; F638-F643 HydrophobicContact CE1-CZ 4.08Å; F638-F643 HydrophobicContact CG-CD2 4.37Å; F638-F643 HydrophobicContact CG-CG 4.47Å; F638-F643 WeakPolarHBondContact O-CB 3.42Å; F638-F643 PolarHBondContact O-N 3.2Å; F638-V645 HydrophobicContact CB-CG2 3.94Å; F638-I728 HydrophobicContact CD2-CG2 4.02Å; F638-I728 HydrophobicContact CE2-CG2 4.18Å; F638-A731 HydrophobicContact CE2-CB 4.32Å; F638-A731 HydrophobicContact CZ-CB 4.17Å; F638-A732 HydrophobicContact CD1-CB 4.47Å; F638-A732 HydrophobicContact CD2-CB 4.42Å; F638-A732 HydrophobicContact CE1-CB 4.14Å; F638-A732 HydrophobicContact CE2-CB 4.08Å; F638-A732 VanDerWaalsContact CZ-CA 3.48Å; F638-A732 HydrophobicContact CZ-CB 3.94Å; F638-V735 HydrophobicContact CE1-CB 4.17Å; F638-V735 HydrophobicContact CE1-CG1 4.31Å; F638-V735 HydrophobicContact CE1-CG2 4.17Å; F638-V735 HydrophobicContact CZ-CG2 4.23Å
639	A	97.9	Very high	97.4	Very high	29 Å²	29	22.1 Å²	22.1	24%	0.24	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-43.6	174.1	0	0	0	0	0	111.8	A635 T636 L641 G642 V645	A635-A639 WeakPolarHBondContact O-CB 3.45Å; A635-A639 PolarHBondContact O-N 3.11Å; T636-A639 PolarHBondContact O-N 3.24Å; A639-L641 PolarHBondContact O-N 3.09Å; A639-G642 PolarHBondContact O-N 3.19Å; A639-V645 HydrophobicContact CB-CG2 4.18Å
640	D	97.5	Very high	97.4	Very high	14 Å²	14	22.3 Å²	22.3	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-25.4	175.1	-87.4	8.6	0	0	0	113.5	G585 R588 T636	G585-D640 VanDerWaalsContact CA-OD1 3.28Å; G585-D640 WeakPolarHBondContact CA-OD1 3.39Å; G585-D640 VanDerWaalsContact CA-OD2 3.31Å; G585-D640 WeakPolarHBondContact CA-OD2 3.42Å; G585-D640 PolarHBondContact N-OD1 2.91Å; G585-D640 PolarHBondContact N-OD2 3.43Å; R588-D640 HydrophobicContact CB-CB 3.94Å; R588-D640 VanDerWaalsContact CB-OD2 3.3Å; R588-D640 WeakPolarHBondContact CB-OD2 3.17Å; R588-D640 PolarHBondContact N-OD2 3.34Å; T636-D640 WeakPolarHBondContact O-CB 3.36Å; T636-D640 PolarHBondContact O-N 3.02Å
641	L	98	Very high	97.5	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.6	174.2	-67.1	175.2	0	0	0	113.8	I597 A600 I601 G637 F638 A639 I728 A732	I597-L641 HydrophobicContact CD1-CD2 3.99Å; I597-L641 HydrophobicContact CG2-CD2 4Å; A600-L641 HydrophobicContact CB-CD1 4.47Å; A600-L641 HydrophobicContact CB-CD2 4.17Å; I601-L641 HydrophobicContact CD1-CD2 4.32Å; I601-L641 HydrophobicContact CG1-CD2 3.84Å; G637-L641 VanDerWaalsContact O-CG 3.29Å; G637-L641 WeakPolarHBondContact O-CG 3.29Å; G637-L641 PolarHBondContact O-N 3.38Å; F638-L641 CarbonylContact O-C 3.51Å; F638-L641 PolarHBondContact O-N 3.34Å; A639-L641 PolarHBondContact O-N 3.09Å; L641-I728 HydrophobicContact CD1-CG2 4.07Å; L641-A732 HydrophobicContact CD1-CB 3.6Å
642	G	98	Very high	97.4	Very high	21 Å²	21	22.1 Å²	22.1	22%	0.216	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.8	10	173.2	0	0	0	0	0	116.2	V604 R614 F638 A639	V604-G642 WeakPolarHBondContact CG1-O 3.4Å; R614-G642 WeakPolarHBondContact CD-O 3.31Å; R614-G642 WeakPolarHBondContact CG-O 3.42Å; F638-G642 PolarHBondContact O-N 3.46Å; A639-G642 PolarHBondContact O-N 3.19Å
643	F	98.6	Very high	97.4	Very high	2 Å²	2	23 Å²	23	1%	0.009	14%	0.137	C	C	.	.			trans	-65.8	162.3	169.1	-78.7	-110.8	0	0	0	111	V604 R614 P615 L617 F638 V645 A732 V735 L736	V604-F643 HydrophobicContact CG2-CD2 3.96Å; V604-F643 HydrophobicContact CG2-CE2 3.59Å; V604-F643 HydrophobicContact CG2-CZ 4.43Å; R614-F643 PolarHBondContact NH1-O 3.05Å; R614-F643 VanDerWaalsContact NH1-O 3.13Å; P615-F643 HydrophobicContact CB-CD1 3.81Å; P615-F643 HydrophobicContact CB-CE1 3.72Å; P615-F643 HydrophobicContact CB-CZ 4.39Å; P615-F643 HydrophobicContact CG-CD1 3.66Å; P615-F643 HydrophobicContact CG-CD2 4.23Å; P615-F643 HydrophobicContact CG-CE1 3.74Å; P615-F643 HydrophobicContact CG-CE2 4.3Å; P615-F643 HydrophobicContact CG-CG 3.91Å; P615-F643 HydrophobicContact CG-CZ 4.06Å; P615-F643 WeakPolarHBondContact O-CD1 3.43Å; L617-F643 HydrophobicContact CB-CD1 4.43Å; F638-F643 HydrophobicContact CB-CB 4.13Å; F638-F643 HydrophobicContact CB-CD2 4.26Å; F638-F643 HydrophobicContact CB-CG 4.2Å; F638-F643 AromaticContact CD1-CD1 3.86Å; F638-F643 HydrophobicContact CD1-CD1 3.86Å; F638-F643 AromaticContact CD1-CD2 3.88Å; F638-F643 HydrophobicContact CD1-CD2 3.88Å; F638-F643 AromaticContact CD1-CE1 3.93Å; F638-F643 HydrophobicContact CD1-CE1 3.93Å; F638-F643 AromaticContact CD1-CE2 3.96Å; F638-F643 HydrophobicContact CD1-CE2 3.96Å; F638-F643 AromaticContact CD1-CG 3.85Å; F638-F643 HydrophobicContact CD1-CG 3.85Å; F638-F643 AromaticContact CD1-CZ 3.98Å; F638-F643 HydrophobicContact CD1-CZ 3.98Å; F638-F643 HydrophobicContact CE1-CE1 4.17Å; F638-F643 HydrophobicContact CE1-CE2 4.37Å; F638-F643 HydrophobicContact CE1-CZ 4.08Å; F638-F643 HydrophobicContact CG-CD2 4.37Å; F638-F643 HydrophobicContact CG-CG 4.47Å; F638-F643 WeakPolarHBondContact O-CB 3.42Å; F638-F643 PolarHBondContact O-N 3.2Å; F643-V645 HydrophobicContact CB-CG2 3.81Å; F643-A732 HydrophobicContact CE2-CB 4.05Å; F643-V735 HydrophobicContact CE1-CG1 4.24Å; F643-L736 HydrophobicContact CZ-CB 4.39Å; F643-L736 HydrophobicContact CZ-CD1 4.39Å
644	D	98.4	Very high	97.4	Very high	32 Å²	32	22.9 Å²	22.9	17%	0.171	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.2	161	-154.5	29.7	0	0	0	107.4	R614 P615 R616 L617	R614-D644 HydrophobicContact CB-CB 4.05Å; R614-D644 IonicContact CZ-OD1 2.71Å; R614-D644 IonicContact NH1-OD1 2.7Å; R614-D644 PolarHBondContact NH1-OD1 3.26Å; R614-D644 IonicContact NH2-OD1 3.22Å; R614-D644 PolarHBondContact NH2-OD1 2.94Å; R614-D644 IonicContact NH2-OD2 3.44Å; P615-D644 PolarHBondContact O-N 3.43Å; R616-D644 CarbonylContact C-O 3.56Å; R616-D644 VanDerWaalsContact CA-O 3.24Å; R616-D644 WeakPolarHBondContact CA-O 3.44Å; R616-D644 HydrophobicContact CB-CB 4.18Å; R616-D644 HydrophobicContact CG-CB 4.15Å; R616-D644 IonicContact CZ-OD2 3.94Å; R616-D644 IonicContact NE-OD2 2.67Å; R616-D644 PolarHBondContact NE-OD2 3.31Å; R616-D644 IonicContact NH2-OD2 2.78Å; R616-D644 PolarHBondContact NH2-OD2 2.96Å; L617-D644 PolarHBondContact N-O 3.45Å
645	V	98.2	Very high	97.4	Very high	21 Å²	21	25.2 Å²	25.2	13%	0.127	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.7	-169.4	-173.4	0	0	0	0	110.4	L617 V619 A635 F638 A639 F643	L617-V645 WeakPolarHBondContact O-CA 3.4Å; V619-V645 HydrophobicContact CG2-CG1 3.9Å; A635-V645 HydrophobicContact CB-CG1 3.77Å; F638-V645 HydrophobicContact CB-CG2 3.94Å; A639-V645 HydrophobicContact CB-CG2 4.18Å; F643-V645 HydrophobicContact CB-CG2 3.81Å
646	D	97.7	Very high	97.5	Very high	46 Å²	46	28.7 Å²	28.7	25%	0.246	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.8	168.8	-62.3	-63.7	0	0	0	108.8	R616 L617 L618 V619	R616-D646 WeakPolarHBondContact CD-OD2 3.41Å; L617-D646 PolarHBondContact O-N 2.72Å; L618-D646 CarbonylContact C-O 3.58Å; L618-D646 WeakPolarHBondContact CA-O 3.33Å; L618-D646 HydrophobicContact CB-CB 4.49Å; L618-D646 HydrophobicContact CD1-CB 3.82Å; V619-D646 PolarHBondContact N-O 2.85Å
647	I	96.7	Very high	97.5	Very high	58 Å²	58	28.6 Å²	28.6	30%	0.297	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.6	175.8	-58.8	177.3	0	0	0	108.2	M582 K632 A635	M582-I647 HydrophobicContact CG-CD1 4.04Å; M582-I647 HydrophobicContact SD-CD1 3.93Å; K632-I647 HydrophobicContact CD-CD1 4.13Å; A635-I647 HydrophobicContact CB-CD1 3.98Å; A635-I647 HydrophobicContact CB-CG1 4.03Å
648	G	96	Very high	97.6	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-70.5	129.5	174.1	0	0	0	0	0	110.9	V619	V619-G648 PolarHBondContact O-N 2.91Å
649	P	95.8	Very high	97.6	Very high	75 Å²	75	31.3 Å²	31.3	49%	0.487	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-52.2	151	168.8	-27.6	34.6	0	0	0	113	Q652	P649-Q652 HydrophobicContact CB-CG 4.37Å; P649-Q652 WeakPolarHBondContact O-CG 3.47Å; P649-Q652 PolarHBondContact O-OE1 3.36Å
650	L	96	Very high	97.6	Very high	31 Å²	31	32.1 Å²	32.1	16%	0.162	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	155.2	172.5	-65.8	168.5	0	0	0	111.7	N229 K621 Q652	N229-L650 HydrophobicContact CB-CD1 3.84Å; N229-L650 VanDerWaalsContact CG-CD1 3.48Å; K621-L650 HydrophobicContact CB-CD2 4.28Å; K621-L650 HydrophobicContact CG-CD2 3.98Å; L650-Q652 VanDerWaalsContact C-N 3.27Å; L650-Q652 PolarHBondContact O-N 3.04Å
651	F	96.4	Very high	97.7	Very high	21 Å²	21	31.5 Å²	31.5	9%	0.092	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	16.8	173.6	-33.4	-56.2	0	0	0	116.5	R152 N229 Y231 G623	R152-F651 PolarHBondContact NH1-O 2.89Å; N229-F651 HydrophobicContact CB-CZ 4.5Å; N229-F651 WeakPolarHBondContact O-CE1 3.33Å; N229-F651 WeakPolarHBondContact O-CZ 3.09Å; Y231-F651 AromaticContact CE2-CE2 3.83Å; Y231-F651 HydrophobicContact CE2-CE2 3.83Å; Y231-F651 HydrophobicContact CE2-CZ 4.32Å; G623-F651 WeakPolarHBondContact O-CA 3.34Å
652	Q	97	Very high	97.7	Very high	22 Å²	22	32.8 Å²	32.8	10%	0.103	17%	0.173	C	C	.	.			trans	-66.8	142.2	172.7	-72.3	-178.2	-49.3	0	0	112.1	M622 G623 P649 L650 E656 V657	M622-Q652 WeakPolarHBondContact CA-O 3.49Å; G623-Q652 PolarHBondContact N-O 3.39Å; G623-Q652 VanDerWaalsContact N-O 3.15Å; P649-Q652 HydrophobicContact CB-CG 4.37Å; P649-Q652 WeakPolarHBondContact O-CG 3.47Å; P649-Q652 PolarHBondContact O-OE1 3.36Å; L650-Q652 VanDerWaalsContact C-N 3.27Å; L650-Q652 PolarHBondContact O-N 3.04Å; Q652-E656 HydrophobicContact CB-CB 4.04Å; Q652-E656 HydrophobicContact CG-CB 4.1Å; Q652-V657 HydrophobicContact CB-CG2 3.69Å
653	T	97.3	Very high	97.7	Very high	35 Å²	35	37.5 Å²	37.5	22%	0.215	19%	0.194	C	C	.	.			trans	-76.1	160.4	164.3	56	0	0	0	0	110.4	R152 R655 E656 V657	R152-T653 HydrophobicContact CG-CG2 4.35Å; T653-R655 PolarHBondContact O-N 3.43Å; T653-R655 VanDerWaalsContact O-N 3.15Å; T653-E656 WeakPolarHBondContact CB-OE2 3.36Å; T653-E656 WeakPolarHBondContact CG2-OE2 3.4Å; T653-E656 PolarHBondContact N-OE2 3.38Å; T653-E656 PolarHBondContact O-N 2.64Å; T653-E656 WeakPolarHBondContact OG1-CG 3.11Å; T653-E656 PolarHBondContact OG1-N 3.49Å; T653-E656 PolarHBondContact OG1-OE2 2.7Å; T653-V657 PolarHBondContact O-N 2.96Å
654	P	97.5	Very high	97.7	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.045	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-32.9	173.5	-26.5	35.6	0	0	0	113.7	M622 A658 L681 E684 L685	M622-P654 HydrophobicContact SD-CB 3.9Å; M622-P654 HydrophobicContact SD-CG 3.87Å; P654-A658 VanDerWaalsContact O-CB 3.29Å; P654-A658 WeakPolarHBondContact O-CB 3.39Å; P654-A658 PolarHBondContact O-N 3.39Å; P654-L681 HydrophobicContact CG-CB 4.3Å; P654-L681 HydrophobicContact CG-CD2 3.98Å; P654-E684 HydrophobicContact CB-CB 4.08Å; P654-E684 HydrophobicContact CB-CG 4.06Å; P654-E684 HydrophobicContact CG-CB 4.01Å; P654-E684 HydrophobicContact CG-CG 4.07Å; P654-L685 HydrophobicContact CB-CB 4.09Å
655	R	98	Very high	97.7	Very high	98 Å²	98	39.6 Å²	39.6	37%	0.37	21%	0.208	S	C	.	.	H	α-helix	trans	-66.1	-44.5	174	179.5	68.2	-162.3	-173.5	3.7	112.9	T653 A658 Q659 E688	T653-R655 PolarHBondContact O-N 3.43Å; T653-R655 VanDerWaalsContact O-N 3.15Å; R655-A658 PolarHBondContact O-N 2.94Å; R655-Q659 WeakPolarHBondContact O-CB 3.39Å; R655-Q659 PolarHBondContact O-N 3.31Å; R655-E688 HydrophobicContact CB-CG 4.24Å; R655-E688 VanDerWaalsContact CD-CD 3.48Å; R655-E688 WeakPolarHBondContact CD-OE2 3.24Å; R655-E688 IonicContact CZ-OE2 2.79Å; R655-E688 IonicContact NE-OE2 3.99Å; R655-E688 IonicContact NH1-OE2 3.8Å; R655-E688 PolarHBondContact NH1-OE2 3.5Å
656	E	98.2	Very high	97.7	Very high	73 Å²	73	38.7 Å²	38.7	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-65.8	-39.8	178.8	-73.2	156.5	153.2	0	0	110.8	R152 Q652 T653 Q660	R152-E656 IonicContact CZ-OE1 3.39Å; R152-E656 IonicContact CZ-OE2 2.85Å; R152-E656 IonicContact NH1-OE1 3.76Å; R152-E656 PolarHBondContact NH1-OE1 3.44Å; R152-E656 IonicContact NH1-OE2 3.62Å; R152-E656 PolarHBondContact NH1-OE2 3.47Å; R152-E656 IonicContact NH2-OE1 4Å; R152-E656 PolarHBondContact NH2-OE1 3.47Å; R152-E656 IonicContact NH2-OE2 3.23Å; Q652-E656 HydrophobicContact CB-CB 4.04Å; Q652-E656 HydrophobicContact CG-CB 4.1Å; T653-E656 WeakPolarHBondContact CB-OE2 3.36Å; T653-E656 WeakPolarHBondContact CG2-OE2 3.4Å; T653-E656 PolarHBondContact N-OE2 3.38Å; T653-E656 PolarHBondContact O-N 2.64Å; T653-E656 WeakPolarHBondContact OG1-CG 3.11Å; T653-E656 PolarHBondContact OG1-N 3.49Å; T653-E656 PolarHBondContact OG1-OE2 2.7Å; E656-Q660 PolarHBondContact O-N 2.91Å
657	V	98.6	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-45.9	173.2	177.1	0	0	0	0	111.8	L618 A620 M622 Q652 T653 Q659 Q660 A661 V669 I671 L685	L618-V657 HydrophobicContact CD2-CG1 4.06Å; A620-V657 HydrophobicContact CB-CG1 3.74Å; A620-V657 HydrophobicContact CB-CG2 4.08Å; M622-V657 HydrophobicContact CG-CB 4.5Å; M622-V657 HydrophobicContact CG-CG2 3.71Å; M622-V657 HydrophobicContact SD-CB 4.47Å; M622-V657 HydrophobicContact SD-CG2 4.29Å; Q652-V657 HydrophobicContact CB-CG2 3.69Å; T653-V657 PolarHBondContact O-N 2.96Å; V657-Q659 VanDerWaalsContact C-N 3.33Å; V657-Q659 PolarHBondContact O-N 2.8Å; V657-Q660 PolarHBondContact O-N 3.43Å; V657-A661 WeakPolarHBondContact O-CB 3.45Å; V657-A661 PolarHBondContact O-N 3.26Å; V657-V669 HydrophobicContact CG1-CG1 3.86Å; V657-I671 HydrophobicContact CG1-CD1 4.25Å; V657-L685 HydrophobicContact CB-CD1 4.06Å; V657-L685 HydrophobicContact CG1-CD1 3.82Å
658	A	98.7	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-43.8	178	0	0	0	0	0	111.5	P654 R655 A661 V662 L685 E688 L689 L692	P654-A658 VanDerWaalsContact O-CB 3.29Å; P654-A658 WeakPolarHBondContact O-CB 3.39Å; P654-A658 PolarHBondContact O-N 3.39Å; R655-A658 PolarHBondContact O-N 2.94Å; A658-A661 PolarHBondContact O-N 3.38Å; A658-V662 WeakPolarHBondContact O-CG2 3.32Å; A658-V662 PolarHBondContact O-N 3.15Å; A658-V662 VanDerWaalsContact O-N 3.13Å; A658-L685 HydrophobicContact CB-CD1 4.01Å; A658-E688 HydrophobicContact CB-CB 3.64Å; A658-L689 HydrophobicContact CB-CD2 4.03Å; A658-L689 HydrophobicContact CB-CG 4.07Å; A658-L692 HydrophobicContact CB-CD1 3.85Å
659	Q	98.7	Very high	98	Very high	63 Å²	63	34.7 Å²	34.7	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-61.6	-48.3	176.4	-169.2	67	62.8	0	0	111.4	R655 V657 A661 V662 D663 L692	R655-Q659 WeakPolarHBondContact O-CB 3.39Å; R655-Q659 PolarHBondContact O-N 3.31Å; V657-Q659 VanDerWaalsContact C-N 3.33Å; V657-Q659 PolarHBondContact O-N 2.8Å; Q659-A661 VanDerWaalsContact C-N 3.32Å; Q659-A661 PolarHBondContact O-N 2.97Å; Q659-V662 PolarHBondContact O-N 3.02Å; Q659-D663 PolarHBondContact NE2-OD1 3.48Å; Q659-D663 WeakPolarHBondContact O-CB 3.47Å; Q659-D663 PolarHBondContact O-N 3.2Å; Q659-L692 HydrophobicContact CB-CD1 4.35Å
660	Q	98.6	Very high	98.2	Very high	46 Å²	46	31.8 Å²	31.8	22%	0.215	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-40.1	177.8	-177.9	175.1	-8.3	0	0	112.5	L618 E656 V657 V662 D663 A664	L618-Q660 HydrophobicContact CD1-CG 4.29Å; L618-Q660 HydrophobicContact CD2-CB 4.25Å; L618-Q660 HydrophobicContact CD2-CG 4.1Å; E656-Q660 PolarHBondContact O-N 2.91Å; V657-Q660 PolarHBondContact O-N 3.43Å; Q660-V662 VanDerWaalsContact C-N 3.34Å; Q660-V662 PolarHBondContact O-N 3.13Å; Q660-D663 PolarHBondContact O-N 3.2Å; Q660-A664 VanDerWaalsContact O-CB 3.26Å; Q660-A664 WeakPolarHBondContact O-CB 3.44Å; Q660-A664 PolarHBondContact O-N 3.2Å
661	A	98.8	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-39.6	177.7	0	0	0	0	0	112.7	L618 V657 A658 Q659 D665 V666 V669 L689 I697	L618-A661 HydrophobicContact CD2-CB 3.92Å; V657-A661 WeakPolarHBondContact O-CB 3.45Å; V657-A661 PolarHBondContact O-N 3.26Å; A658-A661 PolarHBondContact O-N 3.38Å; Q659-A661 VanDerWaalsContact C-N 3.32Å; Q659-A661 PolarHBondContact O-N 2.97Å; A661-D665 PolarHBondContact O-N 3.07Å; A661-V666 HydrophobicContact CB-CG2 3.82Å; A661-V666 PolarHBondContact O-N 3.07Å; A661-V666 VanDerWaalsContact O-N 3.11Å; A661-V669 HydrophobicContact CB-CG2 3.47Å; A661-V669 VanDerWaalsContact CB-CG2 3.47Å; A661-L689 HydrophobicContact CB-CD2 4.07Å; A661-I697 HydrophobicContact CB-CD1 4.41Å
662	V	98.7	Very high	98.3	Very high	31 Å²	31	30.1 Å²	30.1	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-72.9	-45.2	177.4	174.4	0	0	0	0	111.4	A658 Q659 Q660 A664 D665 L689 L692 R694 I697	A658-V662 WeakPolarHBondContact O-CG2 3.32Å; A658-V662 PolarHBondContact O-N 3.15Å; A658-V662 VanDerWaalsContact O-N 3.13Å; Q659-V662 PolarHBondContact O-N 3.02Å; Q660-V662 VanDerWaalsContact C-N 3.34Å; Q660-V662 PolarHBondContact O-N 3.13Å; V662-A664 VanDerWaalsContact C-N 3.33Å; V662-A664 PolarHBondContact O-N 2.7Å; V662-D665 PolarHBondContact O-N 3.24Å; V662-L689 HydrophobicContact CG2-CD2 4.33Å; V662-L692 HydrophobicContact CG2-CB 4.05Å; V662-L692 HydrophobicContact CG2-CD1 4.14Å; V662-R694 HydrophobicContact CB-CG 4.42Å; V662-R694 HydrophobicContact CG1-CG 4Å; V662-R694 HydrophobicContact CG2-CB 3.73Å; V662-R694 HydrophobicContact CG2-CG 3.67Å; V662-I697 HydrophobicContact CG2-CD1 4.13Å
663	D	98.4	Very high	98.2	Very high	120 Å²	120	29.5 Å²	29.5	64%	0.642	15%	0.153	S	C	*	.	H	α-helix	trans	-65.5	-35.8	-179	-65.3	-9.4	0	0	0	112.1	Q659 Q660 D665	Q659-D663 PolarHBondContact NE2-OD1 3.48Å; Q659-D663 WeakPolarHBondContact O-CB 3.47Å; Q659-D663 PolarHBondContact O-N 3.2Å; Q660-D663 PolarHBondContact O-N 3.2Å; D663-D665 VanDerWaalsContact C-N 3.32Å
664	A	98.3	Very high	97.9	Very high	20 Å²	20	30.5 Å²	30.5	17%	0.165	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.7	174.3	0	0	0	0	0	113.7	R616 Q660 V662 V666	R616-A664 VanDerWaalsContact CD-O 3.3Å; R616-A664 WeakPolarHBondContact CD-O 3.48Å; R616-A664 PolarHBondContact NH1-O 3.05Å; Q660-A664 VanDerWaalsContact O-CB 3.26Å; Q660-A664 WeakPolarHBondContact O-CB 3.44Å; Q660-A664 PolarHBondContact O-N 3.2Å; V662-A664 VanDerWaalsContact C-N 3.33Å; V662-A664 PolarHBondContact O-N 2.7Å; A664-V666 HydrophobicContact CB-CG1 3.84Å; A664-V666 PolarHBondContact O-N 2.91Å
665	D	98.4	Very high	97.3	Very high	59 Å²	59	30.9 Å²	30.9	32%	0.316	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	59.2	-174.8	-175.3	45.5	0	0	0	112.6	R613 A661 V662 D663 R694	R613-D665 IonicContact CZ-OD2 3.3Å; R613-D665 IonicContact NH1-OD2 3.66Å; R613-D665 PolarHBondContact NH1-OD2 3.16Å; R613-D665 PolarHBondContact NH2-O 3.5Å; R613-D665 IonicContact NH2-OD2 3.63Å; A661-D665 PolarHBondContact O-N 3.07Å; V662-D665 PolarHBondContact O-N 3.24Å; D663-D665 VanDerWaalsContact C-N 3.32Å; D665-R694 IonicContact OD1-CZ 2.67Å; D665-R694 IonicContact OD1-NH1 2.67Å; D665-R694 PolarHBondContact OD1-NH1 2.76Å; D665-R694 IonicContact OD1-NH2 2.73Å; D665-R694 PolarHBondContact OD1-NH2 2.63Å; D665-R694 VanDerWaalsContact OD1-NH2 3.14Å
666	V	98.8	Very high	96.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.159	C	C	.	.			trans	-79.8	155	179.5	-50.8	0	0	0	0	111.4	R616 L618 A661 A664 A668 V669 I697	R616-V666 HydrophobicContact CG-CB 4.25Å; R616-V666 HydrophobicContact CG-CG1 3.91Å; L618-V666 HydrophobicContact CB-CB 4.48Å; L618-V666 HydrophobicContact CB-CG1 3.97Å; L618-V666 HydrophobicContact CB-CG2 4.2Å; A661-V666 HydrophobicContact CB-CG2 3.82Å; A661-V666 PolarHBondContact O-N 3.07Å; A661-V666 VanDerWaalsContact O-N 3.11Å; A664-V666 HydrophobicContact CB-CG1 3.84Å; A664-V666 PolarHBondContact O-N 2.91Å; V666-A668 VanDerWaalsContact CG2-O 3.3Å; V666-A668 WeakPolarHBondContact CG2-O 3.41Å; V666-V669 HydrophobicContact CG2-CG2 4.01Å; V666-I697 HydrophobicContact CG2-CD1 4.49Å; V666-I697 HydrophobicContact CG2-CG2 3.92Å
667	H	98.8	Very high	96.2	Very high	27 Å²	27	24.8 Å²	24.8	13%	0.125	15%	0.145	C	C	.	.	S	Bend	trans	-83.5	-30.7	173.9	-58.3	78.5	0	0	0	111.2	F607 R613 R616 L698 I739	F607-H667 AromaticContact CE1-NE2 3.96Å; F607-H667 AromaticContact CZ-CD2 3.88Å; F607-H667 AromaticContact CZ-NE2 3.67Å; R613-H667 PolarHBondContact NE-CE1 3.29Å; R616-H667 PolarHBondContact N-ND1 2.63Å; R616-H667 PolarHBondContact O-N 3.17Å; H667-L698 PolarHBondContact O-N 3.47Å; H667-L698 VanDerWaalsContact O-N 3.15Å; H667-I739 HydrophobicContact CB-CD1 3.91Å; H667-I739 HydrophobicContact CB-CG1 4.12Å; H667-I739 HydrophobicContact CB-CG2 3.83Å
668	A	98.8	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.6	178.8	0	0	0	0	0	112	R616 L617 L618 V666 L698 I739	R616-A668 PolarHBondContact O-N 3.43Å; L617-A668 WeakPolarHBondContact CA-O 3.41Å; L617-A668 HydrophobicContact CD1-CB 3.96Å; L618-A668 PolarHBondContact N-O 2.62Å; V666-A668 VanDerWaalsContact CG2-O 3.3Å; V666-A668 WeakPolarHBondContact CG2-O 3.41Å; A668-L698 CarbonylContact C-O 3.59Å; A668-L698 WeakPolarHBondContact CA-O 3.26Å; A668-L698 HydrophobicContact CB-CB 4.05Å; A668-I739 HydrophobicContact CB-CD1 4.28Å; A668-I739 HydrophobicContact CB-CG1 4.41Å
669	V	98.8	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.7	166.8	-175	0	0	0	0	108.4	L618 A620 V657 A661 V666 I671 L685 I697 L698 M700	L618-V669 HydrophobicContact CB-CG1 4.5Å; L618-V669 HydrophobicContact CB-CG2 4.4Å; L618-V669 HydrophobicContact CD2-CG1 4.32Å; L618-V669 HydrophobicContact CD2-CG2 4.39Å; L618-V669 HydrophobicContact CG-CG1 4.39Å; L618-V669 CarbonylContact O-C 3.56Å; L618-V669 WeakPolarHBondContact O-CA 3.23Å; A620-V669 HydrophobicContact CB-CG1 4.36Å; V657-V669 HydrophobicContact CG1-CG1 3.86Å; A661-V669 HydrophobicContact CB-CG2 3.47Å; A661-V669 VanDerWaalsContact CB-CG2 3.47Å; V666-V669 HydrophobicContact CG2-CG2 4.01Å; V669-I671 HydrophobicContact CG1-CD1 3.56Å; V669-I671 HydrophobicContact CG1-CG1 4.22Å; V669-L685 HydrophobicContact CG1-CD2 4.29Å; V669-I697 HydrophobicContact CG2-CG2 3.85Å; V669-L698 PolarHBondContact N-O 3.05Å; V669-M700 PolarHBondContact O-N 3.46Å
670	G	98.6	Very high	95.2	Very high	13 Å²	13	28.1 Å²	28.1	13%	0.134	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	105.4	172.5	0	0	0	0	0	110.9	L618 V619 A620	L618-G670 PolarHBondContact O-N 2.96Å; V619-G670 WeakPolarHBondContact CA-O 3.28Å; A620-G670 PolarHBondContact N-O 3.38Å
671	I	98.4	Very high	95	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.1	177.2	-60.1	-53.8	0	0	0	110.1	A620 M622 V657 V669 V682 L685 V699 M700 C701 G702	A620-I671 HydrophobicContact CB-CD1 3.95Å; M622-I671 HydrophobicContact CE-CB 4.47Å; M622-I671 HydrophobicContact CE-CD1 3.83Å; M622-I671 HydrophobicContact CE-CG1 3.88Å; M622-I671 HydrophobicContact CE-CG2 3.77Å; M622-I671 HydrophobicContact CG-CD1 4.33Å; M622-I671 HydrophobicContact SD-CD1 4.22Å; V657-I671 HydrophobicContact CG1-CD1 4.25Å; V669-I671 HydrophobicContact CG1-CD1 3.56Å; V669-I671 HydrophobicContact CG1-CG1 4.22Å; I671-V682 HydrophobicContact CG2-CG2 4.31Å; I671-L685 HydrophobicContact CD1-CD2 3.6Å; I671-L685 HydrophobicContact CG1-CD2 3.6Å; I671-V699 HydrophobicContact CG1-CG1 4.4Å; I671-M700 PolarHBondContact N-O 3.37Å; I671-C701 CarbonylContact O-C 3.55Å; I671-C701 WeakPolarHBondContact O-CA 3.34Å; I671-G702 PolarHBondContact O-N 2.99Å
672	S	97.7	Very high	95	Very high	13 Å²	13	26.6 Å²	26.6	9%	0.091	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.8	171	176.1	0	0	0	0	109.6	A620 K621 L674 G702	A620-S672 PolarHBondContact O-N 2.82Å; K621-S672 WeakPolarHBondContact CD-O 3.33Å; K621-S672 VanDerWaalsContact CE-O 3.29Å; K621-S672 WeakPolarHBondContact CE-O 3.16Å; K621-S672 PolarHBondContact NZ-O 3.28Å; S672-L674 WeakPolarHBondContact OG-CD1 3.31Å; S672-G702 CarbonylContact C-O 3.56Å; S672-G702 WeakPolarHBondContact CA-O 3.32Å
673	T	93.9	Very high	94.9	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.9	-173.8	-174.7	0	0	0	0	111.1	H678 G702 G703 V704 I705	T673-H678 HydrophobicContact CG2-CB 3.94Å; T673-G702 PolarHBondContact N-O 3.37Å; T673-G703 CarbonylContact O-C 3.53Å; T673-G703 WeakPolarHBondContact O-CA 3.3Å; T673-V704 PolarHBondContact O-N 2.93Å; T673-I705 HydrophobicContact CG2-CD1 3.83Å; T673-I705 HydrophobicContact CG2-CG1 3.79Å
674	L	90.5	Very high	94.7	Very high	57 Å²	57	24.4 Å²	24.4	30%	0.298	14%	0.141	S	C	.	.			trans	-129.7	-5.1	-178.2	-67	91.8	0	0	0	112.3	D625 H627 S672 V704	D625-L674 PolarHBondContact OD2-N 3.15Å; H627-L674 HydrophobicContact CB-CB 3.98Å; H627-L674 HydrophobicContact CB-CD1 4.06Å; H627-L674 HydrophobicContact CB-CD2 3.99Å; H627-L674 HydrophobicContact CB-CG 4.23Å; S672-L674 WeakPolarHBondContact OG-CD1 3.31Å; L674-V704 HydrophobicContact CD2-CG2 4.31Å; L674-V704 HydrophobicContact CG-CG2 4.31Å
675	A	85.7	Confident	94.7	Very high	14 Å²	14	23.5 Å²	23.5	12%	0.116	13%	0.133	C	C	.	.	S	Bend	trans	-100.8	19	176	0	0	0	0	0	113.9	L140 D625 G677	L140-A675 HydrophobicContact CD1-CB 3.58Å; D625-A675 HydrophobicContact CB-CB 3.77Å; D625-A675 PolarHBondContact OD2-N 3.45Å; A675-G677 PolarHBondContact O-N 3.37Å
676	A	86.3	Confident	94.7	Very high	41 Å²	41	22.5 Å²	22.5	34%	0.339	13%	0.128	S	C	.	.	S	Bend	trans	55	18.7	179	0	0	0	0	0	116.7	M159 H678	M159-A676 HydrophobicContact CE-CB 3.45Å; M159-A676 VanDerWaalsContact CE-CB 3.45Å; A676-H678 WeakPolarHBondContact CA-ND1 3.28Å; A676-H678 PolarHBondContact O-N 3.05Å; A676-H678 PolarHBondContact O-ND1 3.46Å
677	G	87.3	Confident	94.7	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.1	175.7	0	0	0	0	0	115	A675 K679 T680 L681	A675-G677 PolarHBondContact O-N 3.37Å; G677-K679 VanDerWaalsContact C-N 3.35Å; G677-K679 PolarHBondContact O-N 2.99Å; G677-T680 PolarHBondContact O-N 3.14Å; G677-L681 PolarHBondContact O-N 2.82Å
678	H	92.3	Very high	94.7	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	16%	0.158	C	C	.	.	H	α-helix	trans	-55.6	-42.4	-171.5	52.2	-72.2	0	0	0	113.5	T673 A676 T680 V682 P683 D709	T673-H678 HydrophobicContact CG2-CB 3.94Å; A676-H678 WeakPolarHBondContact CA-ND1 3.28Å; A676-H678 PolarHBondContact O-N 3.05Å; A676-H678 PolarHBondContact O-ND1 3.46Å; H678-T680 PolarHBondContact O-N 2.97Å; H678-T680 VanDerWaalsContact O-N 3.14Å; H678-V682 HydrophobicContact CB-CG2 4.32Å; H678-V682 WeakPolarHBondContact O-CB 3.48Å; H678-V682 PolarHBondContact O-N 2.8Å; H678-P683 WeakPolarHBondContact O-CD 3.23Å; H678-D709 IonicContact CD2-OD2 3.66Å; H678-D709 IonicContact CE1-OD2 2.78Å; H678-D709 IonicContact NE2-OD2 3.62Å; H678-D709 PolarHBondContact NE2-OD2 3.12Å
679	K	91.6	Very high	94.7	Very high	98 Å²	98	29.8 Å²	29.8	43%	0.426	16%	0.159	S	C	.	.	H	α-helix	trans	-65.7	-16.3	180	-52.9	-167.7	79.9	153.2	0	114.4	G677 D709 F712	G677-K679 VanDerWaalsContact C-N 3.35Å; G677-K679 PolarHBondContact O-N 2.99Å; K679-D709 WeakPolarHBondContact CD-OD1 3.48Å; K679-D709 WeakPolarHBondContact CE-OD1 3.38Å; K679-D709 IonicContact NZ-OD1 3.61Å; K679-D709 PolarHBondContact NZ-OD1 2.87Å; K679-F712 HydrophobicContact CB-CE1 4.08Å; K679-F712 HydrophobicContact CG-CD1 4.43Å; K679-F712 HydrophobicContact CG-CE1 4.29Å
680	T	91.5	Very high	94.7	Very high	31 Å²	31	34.3 Å²	34.3	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-102.8	-51	176.4	-57.8	0	0	0	0	111.5	R154 G677 H678	R154-T680 HydrophobicContact CG-CG2 4.46Å; G677-T680 PolarHBondContact O-N 3.14Å; H678-T680 PolarHBondContact O-N 2.97Å; H678-T680 VanDerWaalsContact O-N 3.14Å
681	L	94.3	Very high	94.7	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.068	20%	0.202	C	C	.	.	H	α-helix	trans	-81.4	-31.4	-166.4	-59.9	171	0	0	0	113.3	M622 P654 G677 E684 L685	M622-L681 HydrophobicContact CB-CB 4.31Å; M622-L681 HydrophobicContact CB-CD1 4.02Å; M622-L681 HydrophobicContact CE-CB 3.88Å; M622-L681 HydrophobicContact SD-CB 4.48Å; P654-L681 HydrophobicContact CG-CB 4.3Å; P654-L681 HydrophobicContact CG-CD2 3.98Å; G677-L681 PolarHBondContact O-N 2.82Å; L681-E684 PolarHBondContact O-N 3.45Å; L681-L685 PolarHBondContact O-N 3.5Å
682	V	97.3	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.5	-45.5	-179.1	177.6	0	0	0	0	112.5	M622 I671 H678 E684 L685 I686 V699 L713 V718	M622-V682 HydrophobicContact CE-CG2 4.18Å; I671-V682 HydrophobicContact CG2-CG2 4.31Å; H678-V682 HydrophobicContact CB-CG2 4.32Å; H678-V682 WeakPolarHBondContact O-CB 3.48Å; H678-V682 PolarHBondContact O-N 2.8Å; V682-E684 PolarHBondContact O-N 2.95Å; V682-L685 WeakPolarHBondContact O-CB 3.42Å; V682-L685 PolarHBondContact O-N 2.97Å; V682-I686 HydrophobicContact CG1-CD1 4.13Å; V682-I686 WeakPolarHBondContact O-CG1 3.37Å; V682-I686 PolarHBondContact O-N 2.85Å; V682-I686 VanDerWaalsContact O-N 3.1Å; V682-V699 HydrophobicContact CG1-CG1 4.19Å; V682-L713 HydrophobicContact CB-CD2 4.3Å; V682-L713 HydrophobicContact CG1-CD2 4.25Å; V682-V718 HydrophobicContact CG1-CG2 3.46Å; V682-V718 VanDerWaalsContact CG1-CG2 3.46Å
683	P	96.6	Very high	94.7	Very high	36 Å²	36	41 Å²	41	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-35.4	171.8	-23.5	32.9	0	0	0	113	H678 K687 F712 V716	H678-P683 WeakPolarHBondContact O-CD 3.23Å; P683-K687 WeakPolarHBondContact O-CB 3.26Å; P683-K687 PolarHBondContact O-N 3.04Å; P683-K687 VanDerWaalsContact O-N 3.09Å; P683-F712 HydrophobicContact CG-CE1 4.14Å; P683-F712 HydrophobicContact CG-CZ 3.97Å; P683-V716 HydrophobicContact CG-CB 4.45Å; P683-V716 HydrophobicContact CG-CG1 4.24Å; P683-V716 HydrophobicContact CG-CG2 4.23Å
684	E	95.9	Very high	94.9	Very high	70 Å²	70	43.2 Å²	43.2	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-69.3	-38.9	177.9	-164.8	162.3	-127	0	0	111.6	P654 L681 V682 K687 E688	P654-E684 HydrophobicContact CB-CB 4.08Å; P654-E684 HydrophobicContact CB-CG 4.06Å; P654-E684 HydrophobicContact CG-CB 4.01Å; P654-E684 HydrophobicContact CG-CG 4.07Å; L681-E684 PolarHBondContact O-N 3.45Å; V682-E684 PolarHBondContact O-N 2.95Å; E684-K687 PolarHBondContact O-N 2.99Å; E684-E688 WeakPolarHBondContact O-CG 3.46Å; E684-E688 PolarHBondContact O-N 3.25Å
685	L	98.3	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-48.4	172.8	173.1	64.6	0	0	0	112.2	M622 P654 V657 A658 V669 I671 L681 V682 K687 E688 L689 V699	M622-L685 HydrophobicContact CE-CB 4.11Å; M622-L685 HydrophobicContact CE-CD2 3.98Å; M622-L685 HydrophobicContact SD-CB 3.98Å; M622-L685 HydrophobicContact SD-CD1 4.47Å; M622-L685 HydrophobicContact SD-CD2 4.12Å; M622-L685 HydrophobicContact SD-CG 4.43Å; P654-L685 HydrophobicContact CB-CB 4.09Å; V657-L685 HydrophobicContact CB-CD1 4.06Å; V657-L685 HydrophobicContact CG1-CD1 3.82Å; A658-L685 HydrophobicContact CB-CD1 4.01Å; V669-L685 HydrophobicContact CG1-CD2 4.29Å; I671-L685 HydrophobicContact CD1-CD2 3.6Å; I671-L685 HydrophobicContact CG1-CD2 3.6Å; L681-L685 PolarHBondContact O-N 3.5Å; V682-L685 WeakPolarHBondContact O-CB 3.42Å; V682-L685 PolarHBondContact O-N 2.97Å; L685-K687 VanDerWaalsContact C-N 3.28Å; L685-K687 PolarHBondContact O-N 3.33Å; L685-E688 PolarHBondContact O-N 3Å; L685-E688 VanDerWaalsContact O-N 3.13Å; L685-L689 HydrophobicContact CD1-CD1 4.21Å; L685-L689 HydrophobicContact CD1-CG 4.22Å; L685-L689 HydrophobicContact CG-CD1 4.13Å; L685-L689 WeakPolarHBondContact O-CG 3.33Å; L685-L689 PolarHBondContact O-N 2.97Å; L685-V699 HydrophobicContact CD2-CG1 4.15Å; L685-V699 HydrophobicContact CD2-CG2 4.23Å
686	I	98.6	Very high	95.8	Very high	39 Å²	39	46.3 Å²	46.3	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-40.2	-179.4	-66.4	169.6	0	0	0	110.2	V682 N690 V699 V716 V718	V682-I686 HydrophobicContact CG1-CD1 4.13Å; V682-I686 WeakPolarHBondContact O-CG1 3.37Å; V682-I686 PolarHBondContact O-N 2.85Å; V682-I686 VanDerWaalsContact O-N 3.1Å; I686-N690 WeakPolarHBondContact O-CB 3.36Å; I686-N690 PolarHBondContact O-N 3.19Å; I686-V699 HydrophobicContact CD1-CB 4.43Å; I686-V699 HydrophobicContact CG1-CB 4.22Å; I686-V699 HydrophobicContact CG1-CG1 4.48Å; I686-V699 HydrophobicContact CG1-CG2 3.82Å; I686-V716 HydrophobicContact CD1-CG2 4.26Å; I686-V716 VanDerWaalsContact CD1-O 3.25Å; I686-V716 WeakPolarHBondContact CD1-O 3.34Å; I686-V718 HydrophobicContact CD1-CG2 4.21Å
687	K	98.3	Very high	96.3	Very high	135 Å²	135	44.7 Å²	44.7	59%	0.587	25%	0.247	S	C	*	.	H	α-helix	trans	-62.5	-40.4	173.6	-177	-172.1	172.6	-164.1	0	112.6	P683 E684 L685 S691	P683-K687 WeakPolarHBondContact O-CB 3.26Å; P683-K687 PolarHBondContact O-N 3.04Å; P683-K687 VanDerWaalsContact O-N 3.09Å; E684-K687 PolarHBondContact O-N 2.99Å; L685-K687 VanDerWaalsContact C-N 3.28Å; L685-K687 PolarHBondContact O-N 3.33Å; K687-S691 VanDerWaalsContact O-CB 3.3Å; K687-S691 WeakPolarHBondContact O-CB 3.38Å; K687-S691 PolarHBondContact O-N 3.49Å; K687-S691 PolarHBondContact O-OG 3.36Å
688	E	98.5	Very high	96.9	Very high	41 Å²	41	45.6 Å²	45.6	19%	0.192	25%	0.251	C	S	.	.	H	α-helix	trans	-72	-39.6	178.7	-72.6	-63.4	167.7	0	0	112.7	R655 A658 E684 L685 N690 S691 L692	R655-E688 HydrophobicContact CB-CG 4.24Å; R655-E688 VanDerWaalsContact CD-CD 3.48Å; R655-E688 WeakPolarHBondContact CD-OE2 3.24Å; R655-E688 IonicContact CZ-OE2 2.79Å; R655-E688 IonicContact NE-OE2 3.99Å; R655-E688 IonicContact NH1-OE2 3.8Å; R655-E688 PolarHBondContact NH1-OE2 3.5Å; A658-E688 HydrophobicContact CB-CB 3.64Å; E684-E688 WeakPolarHBondContact O-CG 3.46Å; E684-E688 PolarHBondContact O-N 3.25Å; L685-E688 PolarHBondContact O-N 3Å; L685-E688 VanDerWaalsContact O-N 3.13Å; E688-N690 VanDerWaalsContact C-N 3.34Å; E688-N690 PolarHBondContact O-N 3.47Å; E688-S691 CarbonylContact O-C 3.58Å; E688-S691 PolarHBondContact O-N 3.39Å; E688-S691 VanDerWaalsContact O-N 3.16Å; E688-L692 WeakPolarHBondContact O-CB 3.49Å; E688-L692 PolarHBondContact O-N 3.1Å
689	L	98.7	Very high	97.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-44.4	171.2	-75.3	170.3	0	0	0	111.7	A658 A661 V662 L685 L692 G693 R694 I697 V699	A658-L689 HydrophobicContact CB-CD2 4.03Å; A658-L689 HydrophobicContact CB-CG 4.07Å; A661-L689 HydrophobicContact CB-CD2 4.07Å; V662-L689 HydrophobicContact CG2-CD2 4.33Å; L685-L689 HydrophobicContact CD1-CD1 4.21Å; L685-L689 HydrophobicContact CD1-CG 4.22Å; L685-L689 HydrophobicContact CG-CD1 4.13Å; L685-L689 WeakPolarHBondContact O-CG 3.33Å; L685-L689 PolarHBondContact O-N 2.97Å; L689-L692 PolarHBondContact O-N 3.27Å; L689-G693 PolarHBondContact O-N 3.39Å; L689-R694 CarbonylContact O-C 3.51Å; L689-R694 PolarHBondContact O-N 3.23Å; L689-I697 HydrophobicContact CD2-CB 4.42Å; L689-I697 HydrophobicContact CD2-CD1 4.27Å; L689-I697 HydrophobicContact CD2-CG2 4.48Å; L689-V699 HydrophobicContact CD1-CG2 3.64Å
690	N	98.4	Very high	97.5	Very high	96 Å²	96	41.1 Å²	41.1	51%	0.513	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-40.1	173.9	-178.4	54.4	0	0	0	112.1	I686 E688 L692 G693 P695	I686-N690 WeakPolarHBondContact O-CB 3.36Å; I686-N690 PolarHBondContact O-N 3.19Å; E688-N690 VanDerWaalsContact C-N 3.34Å; E688-N690 PolarHBondContact O-N 3.47Å; N690-L692 PolarHBondContact O-N 3.32Å; N690-G693 PolarHBondContact O-N 2.98Å; N690-P695 HydrophobicContact CB-CB 4.32Å
691	S	98.4	Very high	97.9	Very high	74 Å²	74	39.8 Å²	39.8	52%	0.517	22%	0.224	S	C	.	.	H	α-helix	trans	-70.3	-20.3	178.1	-59.8	0	0	0	0	113.3	K687 E688	K687-S691 VanDerWaalsContact O-CB 3.3Å; K687-S691 WeakPolarHBondContact O-CB 3.38Å; K687-S691 PolarHBondContact O-N 3.49Å; K687-S691 PolarHBondContact O-OG 3.36Å; E688-S691 CarbonylContact O-C 3.58Å; E688-S691 PolarHBondContact O-N 3.39Å; E688-S691 VanDerWaalsContact O-N 3.16Å
692	L	98.5	Very high	98	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.215	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.2	169.1	-79.9	171.2	0	0	0	113.9	A658 Q659 V662 E688 L689 N690 R694	A658-L692 HydrophobicContact CB-CD1 3.85Å; Q659-L692 HydrophobicContact CB-CD1 4.35Å; V662-L692 HydrophobicContact CG2-CB 4.05Å; V662-L692 HydrophobicContact CG2-CD1 4.14Å; E688-L692 WeakPolarHBondContact O-CB 3.49Å; E688-L692 PolarHBondContact O-N 3.1Å; L689-L692 PolarHBondContact O-N 3.27Å; N690-L692 PolarHBondContact O-N 3.32Å; L692-R694 VanDerWaalsContact C-N 3.32Å; L692-R694 PolarHBondContact O-N 3.02Å
693	G	98.1	Very high	97.8	Very high	56 Å²	56	40.7 Å²	40.7	58%	0.577	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	18.7	178.4	0	0	0	0	0	114.5	L689 N690	L689-G693 PolarHBondContact O-N 3.39Å; N690-G693 PolarHBondContact O-N 2.98Å
694	R	98	Very high	97.4	Very high	54 Å²	54	41.1 Å²	41.1	20%	0.204	24%	0.238	C	C	.	.			trans	-123.6	55.8	176.7	-67.6	-60.8	-57	-86.5	3.9	113	V662 D665 L689 L692 D696 I697	V662-R694 HydrophobicContact CB-CG 4.42Å; V662-R694 HydrophobicContact CG1-CG 4Å; V662-R694 HydrophobicContact CG2-CB 3.73Å; V662-R694 HydrophobicContact CG2-CG 3.67Å; D665-R694 IonicContact OD1-CZ 2.67Å; D665-R694 IonicContact OD1-NH1 2.67Å; D665-R694 PolarHBondContact OD1-NH1 2.76Å; D665-R694 IonicContact OD1-NH2 2.73Å; D665-R694 PolarHBondContact OD1-NH2 2.63Å; D665-R694 VanDerWaalsContact OD1-NH2 3.14Å; L689-R694 CarbonylContact O-C 3.51Å; L689-R694 PolarHBondContact O-N 3.23Å; L692-R694 VanDerWaalsContact C-N 3.32Å; L692-R694 PolarHBondContact O-N 3.02Å; R694-D696 IonicContact CZ-OD1 2.64Å; R694-D696 IonicContact NE-OD1 2.67Å; R694-D696 PolarHBondContact NE-OD1 2.77Å; R694-D696 IonicContact NE-OD2 3.66Å; R694-D696 IonicContact NH2-OD1 3.79Å; R694-D696 IonicContact NH2-OD2 2.77Å; R694-D696 PolarHBondContact O-N 2.76Å; R694-I697 HydrophobicContact CB-CD1 3.76Å; R694-I697 HydrophobicContact CB-CG1 4.04Å; R694-I697 HydrophobicContact CG-CD1 4.29Å; R694-I697 PolarHBondContact O-N 3.22Å
695	P	97.2	Very high	97.1	Very high	89 Å²	89	37.9 Å²	37.9	58%	0.578	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.3	172.5	33.8	-37.4	0	0	0	113.2	N690	N690-P695 HydrophobicContact CB-CB 4.32Å
696	D	97.2	Very high	96.5	Very high	47 Å²	47	38.8 Å²	38.8	25%	0.251	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.3	175.4	68.9	-39	0	0	0	113.6	R694 L698 K746	R694-D696 IonicContact CZ-OD1 2.64Å; R694-D696 IonicContact NE-OD1 2.67Å; R694-D696 PolarHBondContact NE-OD1 2.77Å; R694-D696 IonicContact NE-OD2 3.66Å; R694-D696 IonicContact NH2-OD1 3.79Å; R694-D696 IonicContact NH2-OD2 2.77Å; R694-D696 PolarHBondContact O-N 2.76Å; D696-L698 PolarHBondContact O-N 3.48Å; D696-K746 IonicContact OD2-NZ 2.85Å; D696-K746 PolarHBondContact OD2-NZ 3.42Å
697	I	98.5	Very high	95.8	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.036	24%	0.241	C	C	.	.	S	Bend	trans	-75.2	119	173	-63.6	179.4	0	0	0	108.7	A661 V662 V666 V669 L689 R694	A661-I697 HydrophobicContact CB-CD1 4.41Å; V662-I697 HydrophobicContact CG2-CD1 4.13Å; V666-I697 HydrophobicContact CG2-CD1 4.49Å; V666-I697 HydrophobicContact CG2-CG2 3.92Å; V669-I697 HydrophobicContact CG2-CG2 3.85Å; L689-I697 HydrophobicContact CD2-CB 4.42Å; L689-I697 HydrophobicContact CD2-CD1 4.27Å; L689-I697 HydrophobicContact CD2-CG2 4.48Å; R694-I697 HydrophobicContact CB-CD1 3.76Å; R694-I697 HydrophobicContact CB-CG1 4.04Å; R694-I697 HydrophobicContact CG-CD1 4.29Å; R694-I697 PolarHBondContact O-N 3.22Å
698	L	98.6	Very high	95.2	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.12	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.9	-178.4	-58	-175.7	0	0	0	111.4	H667 A668 V669 D696 M700 D738 I739 C742	H667-L698 PolarHBondContact O-N 3.47Å; H667-L698 VanDerWaalsContact O-N 3.15Å; A668-L698 CarbonylContact C-O 3.59Å; A668-L698 WeakPolarHBondContact CA-O 3.26Å; A668-L698 HydrophobicContact CB-CB 4.05Å; V669-L698 PolarHBondContact N-O 3.05Å; D696-L698 PolarHBondContact O-N 3.48Å; L698-M700 HydrophobicContact CB-CE 4.36Å; L698-M700 HydrophobicContact CD1-CE 4.11Å; L698-D738 HydrophobicContact CD1-CB 4.31Å; L698-D738 WeakPolarHBondContact CD1-O 3.46Å; L698-I739 HydrophobicContact CD1-CG1 4.01Å; L698-C742 HydrophobicContact CD1-CB 4.1Å; L698-C742 HydrophobicContact CD2-CB 3.99Å; L698-C742 HydrophobicContact CG-CB 4.33Å
699	V	98.8	Very high	94.8	Very high	4 Å²	4	38 Å²	38	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.1	170.5	178.9	0	0	0	0	109.4	I671 V682 L685 I686 L689 V718 S719	I671-V699 HydrophobicContact CG1-CG1 4.4Å; V682-V699 HydrophobicContact CG1-CG1 4.19Å; L685-V699 HydrophobicContact CD2-CG1 4.15Å; L685-V699 HydrophobicContact CD2-CG2 4.23Å; I686-V699 HydrophobicContact CD1-CB 4.43Å; I686-V699 HydrophobicContact CG1-CB 4.22Å; I686-V699 HydrophobicContact CG1-CG1 4.48Å; I686-V699 HydrophobicContact CG1-CG2 3.82Å; L689-V699 HydrophobicContact CD1-CG2 3.64Å; V699-V718 HydrophobicContact CG1-CG2 4.38Å; V699-V718 WeakPolarHBondContact O-CG1 3.49Å; V699-S719 PolarHBondContact O-N 3.23Å
700	M	98.6	Very high	94.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.8	172.8	-55.7	-63.3	-176.9	0	0	108.6	V669 I671 L698 N720 F722 V735 D738	V669-M700 PolarHBondContact O-N 3.46Å; I671-M700 PolarHBondContact N-O 3.37Å; L698-M700 HydrophobicContact CB-CE 4.36Å; L698-M700 HydrophobicContact CD1-CE 4.11Å; M700-N720 HydrophobicContact CE-CB 4.37Å; M700-N720 HydrophobicContact SD-CB 3.39Å; M700-N720 WeakPolarHBondContact SD-CB 3.38Å; M700-F722 HydrophobicContact CB-CE2 4.28Å; M700-F722 HydrophobicContact CG-CE2 4.47Å; M700-F722 HydrophobicContact SD-CE2 4.33Å; M700-V735 HydrophobicContact CG-CG2 4.47Å; M700-D738 HydrophobicContact CE-CB 3.7Å
701	C	98.4	Very high	94.4	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.4	175.4	-67	0	0	0	0	111.3	I671 I705 V718 N720 V721 F722	I671-C701 CarbonylContact O-C 3.55Å; I671-C701 WeakPolarHBondContact O-CA 3.34Å; C701-I705 HydrophobicContact CB-CD1 3.71Å; C701-V718 HydrophobicContact CB-CG1 4.14Å; C701-N720 PolarHBondContact N-O 3.17Å; C701-V721 CarbonylContact O-C 3.58Å; C701-V721 WeakPolarHBondContact O-CA 3.45Å; C701-F722 PolarHBondContact O-N 3.47Å
702	G	96.5	Very high	94.3	Very high	12 Å²	12	42 Å²	42	12%	0.124	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	169.6	172.1	0	0	0	0	0	112.5	I671 S672 T673 F722	I671-G702 PolarHBondContact O-N 2.99Å; S672-G702 CarbonylContact C-O 3.56Å; S672-G702 WeakPolarHBondContact CA-O 3.32Å; T673-G702 PolarHBondContact N-O 3.37Å; G702-F722 WeakPolarHBondContact CA-O 3.39Å
703	G	93	Very high	94.2	Very high	20 Å²	20	40.1 Å²	40.1	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-157.1	-167.5	0	0	0	0	0	111.6	T673 I705 F722 P724	T673-G703 CarbonylContact O-C 3.53Å; T673-G703 WeakPolarHBondContact O-CA 3.3Å; G703-I705 PolarHBondContact O-N 3.43Å; G703-F722 PolarHBondContact N-O 2.91Å; G703-P724 WeakPolarHBondContact O-CD 3.44Å
704	V	89.8	Confident	94.2	Very high	45 Å²	45	42 Å²	42	27%	0.273	22%	0.22	S	C	.	.	S	Bend	trans	-81.1	91.8	-173.9	-174.3	0	0	0	0	109.5	T673 L674	T673-V704 PolarHBondContact O-N 2.93Å; L674-V704 HydrophobicContact CD2-CG2 4.31Å; L674-V704 HydrophobicContact CG-CG2 4.31Å
705	I	89	Confident	94.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	24%	0.244	C	C	.	.			trans	-121.3	117.9	176.6	-60.1	168.2	0	0	0	106.4	T673 C701 G703 D709 Y710 L713 V721	T673-I705 HydrophobicContact CG2-CD1 3.83Å; T673-I705 HydrophobicContact CG2-CG1 3.79Å; C701-I705 HydrophobicContact CB-CD1 3.71Å; G703-I705 PolarHBondContact O-N 3.43Å; I705-D709 HydrophobicContact CG2-CB 4.26Å; I705-Y710 HydrophobicContact CB-CE1 4.06Å; I705-Y710 HydrophobicContact CG2-CD1 3.85Å; I705-Y710 HydrophobicContact CG2-CE1 3.7Å; I705-Y710 WeakPolarHBondContact O-CE1 3.44Å; I705-L713 HydrophobicContact CD1-CD1 4.1Å; I705-L713 HydrophobicContact CG2-CD1 3.71Å; I705-V721 HydrophobicContact CD1-CG1 3.86Å; I705-V721 HydrophobicContact CG2-CG1 4.49Å
706	P	84.8	Confident	94.2	Very high	18 Å²	18	44.4 Å²	44.4	12%	0.117	23%	0.229	C	C	.	.			trans	-61.6	137.1	177.1	-23.7	34.5	0	0	0	111.2	Q708 D709 Y710	P706-Q708 HydrophobicContact CB-CG 4.29Å; P706-Q708 VanDerWaalsContact CB-NE2 3.34Å; P706-Q708 PolarHBondContact O-N 3.17Å; P706-D709 PolarHBondContact O-N 2.93Å; P706-Y710 WeakPolarHBondContact O-CD1 3.42Å
707	P	84.9	Confident	94.2	Very high	69 Å²	69	44.1 Å²	44.1	45%	0.448	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-52.7	-32.5	-177	-31.1	36.9	0	0	0	114.9	D709 Y710	P707-D709 PolarHBondContact O-N 2.84Å; P707-Y710 WeakPolarHBondContact O-CB 3.34Å; P707-Y710 WeakPolarHBondContact O-CD1 3.29Å; P707-Y710 PolarHBondContact O-N 3.14Å
708	Q	85.8	Confident	94.2	Very high	112 Å²	112	44 Å²	44	52%	0.523	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15.9	176.7	65.7	-87.9	24.1	0	0	114.9	P706	P706-Q708 HydrophobicContact CB-CG 4.29Å; P706-Q708 VanDerWaalsContact CB-NE2 3.34Å; P706-Q708 PolarHBondContact O-N 3.17Å
709	D	90.1	Very high	94.2	Very high	18 Å²	18	45.1 Å²	45.1	10%	0.096	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-91	-5.6	176.3	-73.6	-29.1	0	0	0	113.3	H678 K679 I705 P706 P707 F712 L713	H678-D709 IonicContact CD2-OD2 3.66Å; H678-D709 IonicContact CE1-OD2 2.78Å; H678-D709 IonicContact NE2-OD2 3.62Å; H678-D709 PolarHBondContact NE2-OD2 3.12Å; K679-D709 WeakPolarHBondContact CD-OD1 3.48Å; K679-D709 WeakPolarHBondContact CE-OD1 3.38Å; K679-D709 IonicContact NZ-OD1 3.61Å; K679-D709 PolarHBondContact NZ-OD1 2.87Å; I705-D709 HydrophobicContact CG2-CB 4.26Å; P706-D709 PolarHBondContact O-N 2.93Å; P707-D709 PolarHBondContact O-N 2.84Å; D709-F712 PolarHBondContact O-N 2.98Å; D709-L713 WeakPolarHBondContact O-CG 3.43Å; D709-L713 PolarHBondContact O-N 3.23Å; D709-L713 VanDerWaalsContact O-N 3.07Å
710	Y	93.4	Very high	94.2	Very high	52 Å²	52	46.4 Å²	46.4	20%	0.204	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-44	-174.5	-79.1	37.6	0	0	0	111.7	I705 P706 P707 F712 L713 F714 V721	I705-Y710 HydrophobicContact CB-CE1 4.06Å; I705-Y710 HydrophobicContact CG2-CD1 3.85Å; I705-Y710 HydrophobicContact CG2-CE1 3.7Å; I705-Y710 WeakPolarHBondContact O-CE1 3.44Å; P706-Y710 WeakPolarHBondContact O-CD1 3.42Å; P707-Y710 WeakPolarHBondContact O-CB 3.34Å; P707-Y710 WeakPolarHBondContact O-CD1 3.29Å; P707-Y710 PolarHBondContact O-N 3.14Å; Y710-F712 PolarHBondContact O-N 3.17Å; Y710-L713 PolarHBondContact O-N 2.94Å; Y710-L713 VanDerWaalsContact O-N 3.11Å; Y710-F714 HydrophobicContact CD2-CE2 4.47Å; Y710-F714 WeakPolarHBondContact O-CD2 3.33Å; Y710-F714 WeakPolarHBondContact O-CG 3.31Å; Y710-F714 PolarHBondContact O-N 3.25Å; Y710-V721 HydrophobicContact CD1-CG1 4.05Å; Y710-V721 HydrophobicContact CD2-CB 3.9Å; Y710-V721 HydrophobicContact CD2-CG1 4Å; Y710-V721 HydrophobicContact CD2-CG2 4.4Å; Y710-V721 HydrophobicContact CE1-CG1 3.68Å; Y710-V721 HydrophobicContact CE2-CB 3.8Å; Y710-V721 HydrophobicContact CE2-CG1 3.61Å; Y710-V721 HydrophobicContact CG-CB 4.36Å; Y710-V721 HydrophobicContact CG-CG1 4.21Å; Y710-V721 HydrophobicContact CG-CG2 4.49Å; Y710-V721 VanDerWaalsContact CZ-CG1 3.45Å
711	E	95.5	Very high	94.1	Very high	144 Å²	144	46.9 Å²	46.9	67%	0.673	26%	0.256	S	S	*	.	H	α-helix	trans	-57.4	-49.1	177.8	-174.7	168.4	-152.1	0	0	111.2	L713 F714 E715	E711-L713 VanDerWaalsContact C-N 3.31Å; E711-L713 PolarHBondContact O-N 3.05Å; E711-F714 PolarHBondContact O-N 3.04Å; E711-F714 VanDerWaalsContact O-N 3.16Å; E711-E715 WeakPolarHBondContact O-CG 3.42Å; E711-E715 PolarHBondContact O-N 3.41Å
712	F	95.7	Very high	94	Very high	63 Å²	63	48 Å²	48	28%	0.276	26%	0.261	S	S	.	.	H	α-helix	trans	-56.3	-42.1	173.9	169.3	-90.6	0	0	0	112.6	K679 P683 D709 Y710 E715 V716	K679-F712 HydrophobicContact CB-CE1 4.08Å; K679-F712 HydrophobicContact CG-CD1 4.43Å; K679-F712 HydrophobicContact CG-CE1 4.29Å; P683-F712 HydrophobicContact CG-CE1 4.14Å; P683-F712 HydrophobicContact CG-CZ 3.97Å; D709-F712 PolarHBondContact O-N 2.98Å; Y710-F712 PolarHBondContact O-N 3.17Å; F712-E715 PolarHBondContact O-N 3.33Å; F712-V716 HydrophobicContact CE1-CG1 4.31Å; F712-V716 HydrophobicContact CE2-CG1 4.06Å; F712-V716 HydrophobicContact CZ-CG1 3.94Å; F712-V716 WeakPolarHBondContact O-CG2 2.91Å; F712-V716 PolarHBondContact O-N 3.44Å; F712-V716 VanDerWaalsContact O-N 3.14Å
713	L	97.5	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-41.2	178.1	-71.4	176.4	0	0	0	111.8	V682 I705 D709 Y710 E711 V716 G717 V718 V721	V682-L713 HydrophobicContact CB-CD2 4.3Å; V682-L713 HydrophobicContact CG1-CD2 4.25Å; I705-L713 HydrophobicContact CD1-CD1 4.1Å; I705-L713 HydrophobicContact CG2-CD1 3.71Å; D709-L713 WeakPolarHBondContact O-CG 3.43Å; D709-L713 PolarHBondContact O-N 3.23Å; D709-L713 VanDerWaalsContact O-N 3.07Å; Y710-L713 PolarHBondContact O-N 2.94Å; Y710-L713 VanDerWaalsContact O-N 3.11Å; E711-L713 VanDerWaalsContact C-N 3.31Å; E711-L713 PolarHBondContact O-N 3.05Å; L713-V716 VanDerWaalsContact O-CG2 3.26Å; L713-V716 WeakPolarHBondContact O-CG2 3.44Å; L713-V716 PolarHBondContact O-N 2.84Å; L713-G717 PolarHBondContact O-N 3.1Å; L713-V718 HydrophobicContact CB-CB 4.15Å; L713-V718 HydrophobicContact CB-CG2 3.98Å; L713-V718 HydrophobicContact CD2-CG2 4.22Å; L713-V718 WeakPolarHBondContact O-CB 3.4Å; L713-V718 VanDerWaalsContact O-CG2 3.3Å; L713-V718 WeakPolarHBondContact O-CG2 3.44Å; L713-V718 PolarHBondContact O-N 2.97Å; L713-V721 HydrophobicContact CB-CG2 4.43Å; L713-V721 HydrophobicContact CD1-CG2 4.22Å
714	F	98.1	Very high	93.5	Very high	95 Å²	95	49.1 Å²	49.1	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-42.4	174.8	-62.8	-53.3	0	0	0	112	Y710 E711 V716 G717 V718 V721	Y710-F714 HydrophobicContact CD2-CE2 4.47Å; Y710-F714 WeakPolarHBondContact O-CD2 3.33Å; Y710-F714 WeakPolarHBondContact O-CG 3.31Å; Y710-F714 PolarHBondContact O-N 3.25Å; E711-F714 PolarHBondContact O-N 3.04Å; E711-F714 VanDerWaalsContact O-N 3.16Å; F714-V716 VanDerWaalsContact C-N 3.33Å; F714-V716 PolarHBondContact O-N 3.09Å; F714-G717 PolarHBondContact O-N 2.99Å; F714-G717 VanDerWaalsContact O-N 3.1Å; F714-V718 WeakPolarHBondContact CD1-O 2.89Å; F714-V721 HydrophobicContact CE1-CG2 3.95Å; F714-V721 HydrophobicContact CZ-CB 4.42Å; F714-V721 HydrophobicContact CZ-CG2 3.93Å
715	E	97.9	Very high	93.6	Very high	150 Å²	150	49 Å²	49	70%	0.701	27%	0.272	S	S	*	.	H	α-helix	trans	-59.9	-37.9	177.4	-74.4	-176	151.9	0	0	113.3	E711 F712 G717	E711-E715 WeakPolarHBondContact O-CG 3.42Å; E711-E715 PolarHBondContact O-N 3.41Å; F712-E715 PolarHBondContact O-N 3.33Å; E715-G717 VanDerWaalsContact C-N 3.27Å; E715-G717 PolarHBondContact O-N 3.04Å
716	V	97.1	Very high	93.9	Very high	44 Å²	44	50.9 Å²	50.9	27%	0.267	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.9	177.5	-58.4	0	0	0	0	114	P683 I686 F712 L713 F714 V718	P683-V716 HydrophobicContact CG-CB 4.45Å; P683-V716 HydrophobicContact CG-CG1 4.24Å; P683-V716 HydrophobicContact CG-CG2 4.23Å; I686-V716 HydrophobicContact CD1-CG2 4.26Å; I686-V716 VanDerWaalsContact CD1-O 3.25Å; I686-V716 WeakPolarHBondContact CD1-O 3.34Å; F712-V716 HydrophobicContact CE1-CG1 4.31Å; F712-V716 HydrophobicContact CE2-CG1 4.06Å; F712-V716 HydrophobicContact CZ-CG1 3.94Å; F712-V716 WeakPolarHBondContact O-CG2 2.91Å; F712-V716 PolarHBondContact O-N 3.44Å; F712-V716 VanDerWaalsContact O-N 3.14Å; L713-V716 VanDerWaalsContact O-CG2 3.26Å; L713-V716 WeakPolarHBondContact O-CG2 3.44Å; L713-V716 PolarHBondContact O-N 2.84Å; F714-V716 VanDerWaalsContact C-N 3.33Å; F714-V716 PolarHBondContact O-N 3.09Å; V716-V718 HydrophobicContact CG2-CG2 4.48Å
717	G	97.3	Very high	94.5	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	12	173.7	0	0	0	0	0	116.4	L713 F714 E715	L713-G717 PolarHBondContact O-N 3.1Å; F714-G717 PolarHBondContact O-N 2.99Å; F714-G717 VanDerWaalsContact O-N 3.1Å; E715-G717 VanDerWaalsContact C-N 3.27Å; E715-G717 PolarHBondContact O-N 3.04Å
718	V	98.5	Very high	95.2	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.2	169	-179.9	0	0	0	0	109.1	V682 I686 V699 C701 L713 F714 V716 N720 V721	V682-V718 HydrophobicContact CG1-CG2 3.46Å; V682-V718 VanDerWaalsContact CG1-CG2 3.46Å; I686-V718 HydrophobicContact CD1-CG2 4.21Å; V699-V718 HydrophobicContact CG1-CG2 4.38Å; V699-V718 WeakPolarHBondContact O-CG1 3.49Å; C701-V718 HydrophobicContact CB-CG1 4.14Å; L713-V718 HydrophobicContact CB-CB 4.15Å; L713-V718 HydrophobicContact CB-CG2 3.98Å; L713-V718 HydrophobicContact CD2-CG2 4.22Å; L713-V718 WeakPolarHBondContact O-CB 3.4Å; L713-V718 VanDerWaalsContact O-CG2 3.3Å; L713-V718 WeakPolarHBondContact O-CG2 3.44Å; L713-V718 PolarHBondContact O-N 2.97Å; F714-V718 WeakPolarHBondContact CD1-O 2.89Å; V716-V718 HydrophobicContact CG2-CG2 4.48Å; V718-N720 VanDerWaalsContact CG1-O 3.29Å; V718-N720 WeakPolarHBondContact CG1-O 3.21Å; V718-V721 HydrophobicContact CG1-CG2 4.14Å
719	S	98	Very high	95.8	Very high	45 Å²	45	45.1 Å²	45.1	32%	0.315	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-33.5	-176.9	-60.4	0	0	0	0	113.3	V699	V699-S719 PolarHBondContact O-N 3.23Å
720	N	98	Very high	96.1	Very high	31 Å²	31	50 Å²	50	17%	0.166	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.4	-179.5	-140.9	-39.1	0	0	0	111.6	M700 C701 V718 F722 D738	M700-N720 HydrophobicContact CE-CB 4.37Å; M700-N720 HydrophobicContact SD-CB 3.39Å; M700-N720 WeakPolarHBondContact SD-CB 3.38Å; C701-N720 PolarHBondContact N-O 3.17Å; V718-N720 VanDerWaalsContact CG1-O 3.29Å; V718-N720 WeakPolarHBondContact CG1-O 3.21Å; N720-F722 HydrophobicContact CB-CE2 3.82Å; N720-F722 HydrophobicContact CB-CZ 3.94Å; N720-D738 PolarHBondContact ND2-OD2 3.02Å
721	V	97.7	Very high	96.4	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.085	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127	-179.7	-173.8	0	0	0	0	110.4	C701 I705 Y710 L713 F714 V718	C701-V721 CarbonylContact O-C 3.58Å; C701-V721 WeakPolarHBondContact O-CA 3.45Å; I705-V721 HydrophobicContact CD1-CG1 3.86Å; I705-V721 HydrophobicContact CG2-CG1 4.49Å; Y710-V721 HydrophobicContact CD1-CG1 4.05Å; Y710-V721 HydrophobicContact CD2-CB 3.9Å; Y710-V721 HydrophobicContact CD2-CG1 4Å; Y710-V721 HydrophobicContact CD2-CG2 4.4Å; Y710-V721 HydrophobicContact CE1-CG1 3.68Å; Y710-V721 HydrophobicContact CE2-CB 3.8Å; Y710-V721 HydrophobicContact CE2-CG1 3.61Å; Y710-V721 HydrophobicContact CG-CB 4.36Å; Y710-V721 HydrophobicContact CG-CG1 4.21Å; Y710-V721 HydrophobicContact CG-CG2 4.49Å; Y710-V721 VanDerWaalsContact CZ-CG1 3.45Å; L713-V721 HydrophobicContact CB-CG2 4.43Å; L713-V721 HydrophobicContact CD1-CG2 4.22Å; F714-V721 HydrophobicContact CE1-CG2 3.95Å; F714-V721 HydrophobicContact CZ-CB 4.42Å; F714-V721 HydrophobicContact CZ-CG2 3.93Å; V718-V721 HydrophobicContact CG1-CG2 4.14Å
722	F	96.6	Very high	96.5	Very high	27 Å²	27	41 Å²	41	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	89.3	-172.9	-62.7	-75	0	0	0	111.2	M700 C701 G702 G703 N720 T726 A731 Q734 V735	M700-F722 HydrophobicContact CB-CE2 4.28Å; M700-F722 HydrophobicContact CG-CE2 4.47Å; M700-F722 HydrophobicContact SD-CE2 4.33Å; C701-F722 PolarHBondContact O-N 3.47Å; G702-F722 WeakPolarHBondContact CA-O 3.39Å; G703-F722 PolarHBondContact N-O 2.91Å; N720-F722 HydrophobicContact CB-CE2 3.82Å; N720-F722 HydrophobicContact CB-CZ 3.94Å; F722-T726 HydrophobicContact CB-CG2 4.15Å; F722-T726 HydrophobicContact CD1-CG2 3.85Å; F722-T726 HydrophobicContact CG-CG2 4.4Å; F722-A731 HydrophobicContact CD1-CB 4.02Å; F722-A731 HydrophobicContact CE1-CB 3.89Å; F722-Q734 HydrophobicContact CE1-CB 4.17Å; F722-Q734 HydrophobicContact CZ-CB 4.2Å; F722-V735 HydrophobicContact CE2-CG2 3.78Å; F722-V735 HydrophobicContact CZ-CG2 3.72Å
723	G	89.8	Confident	96.7	Very high	12 Å²	12	39.8 Å²	39.8	12%	0.124	23%	0.225	C	C	.	.			trans	-72.9	175.7	179.3	0	0	0	0	0	115	T726	G723-T726 WeakPolarHBondContact O-CB 3.39Å; G723-T726 PolarHBondContact O-N 2.96Å; G723-T726 PolarHBondContact O-OG1 3.43Å
724	P	89	Confident	96.7	Very high	43 Å²	43	42.5 Å²	42.5	28%	0.279	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	140	170.2	-28.5	33.8	0	0	0	113.8	E360 Q361 G703 T726	E360-P724 HydrophobicContact CB-CB 4.21Å; E360-P724 HydrophobicContact CB-CG 4.45Å; E360-P724 WeakPolarHBondContact OE2-CD 3.29Å; E360-P724 WeakPolarHBondContact OE2-CG 3.4Å; Q361-P724 PolarHBondContact NE2-O 3.18Å; G703-P724 WeakPolarHBondContact O-CD 3.44Å; P724-T726 VanDerWaalsContact C-N 3.32Å
725	G	90.8	Very high	96.7	Very high	42 Å²	42	38.1 Å²	38.1	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-0.1	-176.5	0	0	0	0	0	115.4	R727	G725-R727 PolarHBondContact O-N 2.94Å
726	T	95.4	Very high	96.8	Very high	42 Å²	42	31 Å²	31	26%	0.258	19%	0.186	S	C	.	.			trans	-59.1	120.8	172.8	-68.3	0	0	0	0	111.9	F722 G723 P724 A731	F722-T726 HydrophobicContact CB-CG2 4.15Å; F722-T726 HydrophobicContact CD1-CG2 3.85Å; F722-T726 HydrophobicContact CG-CG2 4.4Å; G723-T726 WeakPolarHBondContact O-CB 3.39Å; G723-T726 PolarHBondContact O-N 2.96Å; G723-T726 PolarHBondContact O-OG1 3.43Å; P724-T726 VanDerWaalsContact C-N 3.32Å; T726-A731 HydrophobicContact CG2-CB 3.68Å
727	R	98	Very high	96.8	Very high	75 Å²	75	31.3 Å²	31.3	28%	0.283	19%	0.186	S	C	.	.			trans	-79.6	128.2	175	-62.8	174.1	66.7	-108.7	-1.3	111	D480 E596 G725 K730 A731	D480-R727 HydrophobicContact CB-CB 4.43Å; D480-R727 HydrophobicContact CB-CG 4.4Å; D480-R727 PolarHBondContact O-NE 2.89Å; D480-R727 PolarHBondContact O-NH2 3.14Å; E596-R727 IonicContact OE1-CZ 2.67Å; E596-R727 IonicContact OE1-NH1 3.82Å; E596-R727 PolarHBondContact OE1-NH1 2.9Å; E596-R727 IonicContact OE1-NH2 2.71Å; E596-R727 IonicContact OE2-CZ 2.73Å; E596-R727 IonicContact OE2-NH1 3.53Å; E596-R727 PolarHBondContact OE2-NH1 3.45Å; E596-R727 IonicContact OE2-NH2 3.73Å; E596-R727 PolarHBondContact OE2-NH2 3.34Å; G725-R727 PolarHBondContact O-N 2.94Å; R727-K730 HydrophobicContact CB-CB 4.5Å; R727-K730 PolarHBondContact O-N 3.38Å; R727-A731 PolarHBondContact O-N 3.33Å; R727-A731 VanDerWaalsContact O-N 3.08Å
728	I	98.4	Very high	96.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-45.7	-175.1	-71.2	173.3	0	0	0	114	Q476 D480 Y587 V633 I634 F638 L641 K730 A731 A732	Q476-I728 HydrophobicContact CG-CD1 4.1Å; D480-I728 PolarHBondContact OD2-N 3.22Å; Y587-I728 HydrophobicContact CD2-CD1 4.01Å; Y587-I728 HydrophobicContact CE1-CB 4.39Å; Y587-I728 HydrophobicContact CE1-CG2 4.24Å; Y587-I728 HydrophobicContact CE2-CB 4.35Å; Y587-I728 HydrophobicContact CE2-CD1 3.61Å; Y587-I728 HydrophobicContact CE2-CG1 4.4Å; V633-I728 HydrophobicContact CG1-CD1 3.82Å; V633-I728 WeakPolarHBondContact O-CD1 3.41Å; I634-I728 HydrophobicContact CD1-CG1 4Å; F638-I728 HydrophobicContact CD2-CG2 4.02Å; F638-I728 HydrophobicContact CE2-CG2 4.18Å; L641-I728 HydrophobicContact CD1-CG2 4.07Å; I728-K730 VanDerWaalsContact C-N 3.25Å; I728-K730 PolarHBondContact O-N 2.87Å; I728-A731 PolarHBondContact O-N 2.72Å; I728-A732 WeakPolarHBondContact O-CB 3.24Å; I728-A732 PolarHBondContact O-N 3.16Å
729	P	98.2	Very high	96.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-31.1	-175.4	-21.8	35.8	0	0	0	112.3	Y587 F591 E596 I597 V733	Y587-P729 WeakPolarHBondContact OH-CD 3.44Å; F591-P729 HydrophobicContact CE2-CG 3.89Å; F591-P729 HydrophobicContact CZ-CG 4.26Å; E596-P729 HydrophobicContact CG-CB 3.89Å; I597-P729 HydrophobicContact CD1-CB 4.15Å; I597-P729 HydrophobicContact CD1-CG 3.55Å; P729-V733 WeakPolarHBondContact O-CG2 3.49Å; P729-V733 PolarHBondContact O-N 2.93Å
730	K	98	Very high	96.9	Very high	122 Å²	122	29.3 Å²	29.3	53%	0.53	16%	0.161	S	C	.	.	H	α-helix	trans	-70.7	-48.6	174.3	-170.4	-168.8	172	-174.8	0	110.6	R727 I728 A732 V733 Q734	R727-K730 HydrophobicContact CB-CB 4.5Å; R727-K730 PolarHBondContact O-N 3.38Å; I728-K730 VanDerWaalsContact C-N 3.25Å; I728-K730 PolarHBondContact O-N 2.87Å; K730-A732 VanDerWaalsContact C-N 3.34Å; K730-A732 PolarHBondContact O-N 2.89Å; K730-V733 PolarHBondContact O-N 2.8Å; K730-Q734 WeakPolarHBondContact O-CG 3.4Å; K730-Q734 PolarHBondContact O-N 3.21Å
731	A	98.4	Very high	96.8	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-42.2	177.8	0	0	0	0	0	112.3	F638 F722 T726 R727 I728 V733 Q734 V735	F638-A731 HydrophobicContact CE2-CB 4.32Å; F638-A731 HydrophobicContact CZ-CB 4.17Å; F722-A731 HydrophobicContact CD1-CB 4.02Å; F722-A731 HydrophobicContact CE1-CB 3.89Å; T726-A731 HydrophobicContact CG2-CB 3.68Å; R727-A731 PolarHBondContact O-N 3.33Å; R727-A731 VanDerWaalsContact O-N 3.08Å; I728-A731 PolarHBondContact O-N 2.72Å; A731-V733 VanDerWaalsContact C-N 3.3Å; A731-V733 PolarHBondContact O-N 2.85Å; A731-Q734 PolarHBondContact O-N 2.97Å; A731-V735 WeakPolarHBondContact O-CB 3.44Å; A731-V735 WeakPolarHBondContact O-CG2 3.2Å; A731-V735 PolarHBondContact O-N 2.96Å
732	A	98.6	Very high	96.7	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-38.8	177.1	0	0	0	0	0	112.5	F638 L641 F643 I728 K730 L736	F638-A732 HydrophobicContact CD1-CB 4.47Å; F638-A732 HydrophobicContact CD2-CB 4.42Å; F638-A732 HydrophobicContact CE1-CB 4.14Å; F638-A732 HydrophobicContact CE2-CB 4.08Å; F638-A732 VanDerWaalsContact CZ-CA 3.48Å; F638-A732 HydrophobicContact CZ-CB 3.94Å; L641-A732 HydrophobicContact CD1-CB 3.6Å; F643-A732 HydrophobicContact CE2-CB 4.05Å; I728-A732 WeakPolarHBondContact O-CB 3.24Å; I728-A732 PolarHBondContact O-N 3.16Å; K730-A732 VanDerWaalsContact C-N 3.34Å; K730-A732 PolarHBondContact O-N 2.89Å; A732-L736 WeakPolarHBondContact O-CB 3.48Å; A732-L736 PolarHBondContact O-N 2.73Å; A732-L736 VanDerWaalsContact O-N 3.15Å
733	V	98.5	Very high	96.7	Very high	39 Å²	39	33.9 Å²	33.9	24%	0.236	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-42.9	174	173.4	0	0	0	0	111.4	A600 P729 K730 A731 L736 D737	A600-V733 HydrophobicContact CB-CG2 4.04Å; P729-V733 WeakPolarHBondContact O-CG2 3.49Å; P729-V733 PolarHBondContact O-N 2.93Å; K730-V733 PolarHBondContact O-N 2.8Å; A731-V733 VanDerWaalsContact C-N 3.3Å; A731-V733 PolarHBondContact O-N 2.85Å; V733-L736 PolarHBondContact O-N 3.39Å; V733-D737 PolarHBondContact O-N 3.03Å
734	Q	98.5	Very high	96.9	Very high	56 Å²	56	38.1 Å²	38.1	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-46.1	178.6	-69.2	175.6	-89.4	0	0	112.3	F722 K730 A731 L736 D737 D738	F722-Q734 HydrophobicContact CE1-CB 4.17Å; F722-Q734 HydrophobicContact CZ-CB 4.2Å; K730-Q734 WeakPolarHBondContact O-CG 3.4Å; K730-Q734 PolarHBondContact O-N 3.21Å; A731-Q734 PolarHBondContact O-N 2.97Å; Q734-L736 VanDerWaalsContact C-N 3.28Å; Q734-L736 PolarHBondContact O-N 3.39Å; Q734-D737 PolarHBondContact O-N 3.04Å; Q734-D738 PolarHBondContact O-N 2.86Å
735	V	98.7	Very high	96.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-40.8	175.1	170.8	0	0	0	0	110.8	F638 F643 M700 F722 A731 D738 I739	F638-V735 HydrophobicContact CE1-CB 4.17Å; F638-V735 HydrophobicContact CE1-CG1 4.31Å; F638-V735 HydrophobicContact CE1-CG2 4.17Å; F638-V735 HydrophobicContact CZ-CG2 4.23Å; F643-V735 HydrophobicContact CE1-CG1 4.24Å; M700-V735 HydrophobicContact CG-CG2 4.47Å; F722-V735 HydrophobicContact CE2-CG2 3.78Å; F722-V735 HydrophobicContact CZ-CG2 3.72Å; A731-V735 WeakPolarHBondContact O-CB 3.44Å; A731-V735 WeakPolarHBondContact O-CG2 3.2Å; A731-V735 PolarHBondContact O-N 2.96Å; V735-D738 PolarHBondContact O-N 3.34Å; V735-I739 HydrophobicContact CG1-CD1 3.85Å; V735-I739 VanDerWaalsContact O-CG1 3.28Å; V735-I739 WeakPolarHBondContact O-CG1 3.35Å; V735-I739 PolarHBondContact O-N 3.35Å
736	L	98.6	Very high	96.6	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-46.8	175.9	-165.8	71.3	0	0	0	111.8	R603 V604 F607 P615 F643 A732 V733 Q734 D738 I739 E740	R603-L736 HydrophobicContact CB-CD2 3.69Å; V604-L736 HydrophobicContact CG2-CD2 4.41Å; F607-L736 HydrophobicContact CB-CD1 3.97Å; F607-L736 HydrophobicContact CD2-CD1 3.49Å; F607-L736 VanDerWaalsContact CD2-CD1 3.49Å; F607-L736 HydrophobicContact CD2-CG 4.34Å; F607-L736 HydrophobicContact CE2-CD1 4.11Å; F607-L736 HydrophobicContact CG-CD1 3.79Å; P615-L736 HydrophobicContact CB-CD1 3.82Å; P615-L736 HydrophobicContact CG-CD1 3.88Å; F643-L736 HydrophobicContact CZ-CB 4.39Å; F643-L736 HydrophobicContact CZ-CD1 4.39Å; A732-L736 WeakPolarHBondContact O-CB 3.48Å; A732-L736 PolarHBondContact O-N 2.73Å; A732-L736 VanDerWaalsContact O-N 3.15Å; V733-L736 PolarHBondContact O-N 3.39Å; Q734-L736 VanDerWaalsContact C-N 3.28Å; Q734-L736 PolarHBondContact O-N 3.39Å; L736-D738 PolarHBondContact O-N 3.49Å; L736-I739 PolarHBondContact O-N 2.96Å; L736-E740 HydrophobicContact CG-CG 4.45Å; L736-E740 WeakPolarHBondContact O-CB 3.5Å; L736-E740 VanDerWaalsContact O-CG 3.3Å; L736-E740 WeakPolarHBondContact O-CG 3.31Å; L736-E740 PolarHBondContact O-N 3.32Å
737	D	98.5	Very high	95.9	Very high	49 Å²	49	49.8 Å²	49.8	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-55.5	-40.1	177	-67.4	-24.3	0	0	0	111.4	R603 V733 Q734 K741	R603-D737 IonicContact CZ-OD1 3.2Å; R603-D737 IonicContact NH1-OD1 2.78Å; R603-D737 PolarHBondContact NH1-OD1 3.43Å; R603-D737 IonicContact NH2-OD1 2.66Å; R603-D737 PolarHBondContact NH2-OD1 3.49Å; V733-D737 PolarHBondContact O-N 3.03Å; Q734-D737 PolarHBondContact O-N 3.04Å; D737-K741 WeakPolarHBondContact O-CD 3.3Å; D737-K741 VanDerWaalsContact O-CE 3.25Å; D737-K741 WeakPolarHBondContact O-CE 3.33Å; D737-K741 WeakPolarHBondContact O-CG 3.2Å; D737-K741 PolarHBondContact O-N 2.95Å
738	D	98.3	Very high	95	Very high	26 Å²	26	53.9 Å²	53.9	14%	0.139	26%	0.255	C	S	.	.	H	α-helix	trans	-74.9	-37.6	-178.7	-66.2	-24.4	0	0	0	112.7	L698 M700 N720 Q734 V735 L736 K741 C742	L698-D738 HydrophobicContact CD1-CB 4.31Å; L698-D738 WeakPolarHBondContact CD1-O 3.46Å; M700-D738 HydrophobicContact CE-CB 3.7Å; N720-D738 PolarHBondContact ND2-OD2 3.02Å; Q734-D738 PolarHBondContact O-N 2.86Å; V735-D738 PolarHBondContact O-N 3.34Å; L736-D738 PolarHBondContact O-N 3.49Å; D738-K741 IonicContact OD1-NZ 2.66Å; D738-K741 PolarHBondContact OD1-NZ 3.36Å; D738-C742 PolarHBondContact O-N 2.97Å; D738-C742 VanDerWaalsContact O-N 3.12Å
739	I	98.4	Very high	93.9	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-45.8	170.3	-65.9	164.3	0	0	0	110.3	F607 H667 A668 L698 V735 L736 C742 L743	F607-I739 HydrophobicContact CE2-CG2 3.71Å; F607-I739 HydrophobicContact CZ-CG2 3.92Å; H667-I739 HydrophobicContact CB-CD1 3.91Å; H667-I739 HydrophobicContact CB-CG1 4.12Å; H667-I739 HydrophobicContact CB-CG2 3.83Å; A668-I739 HydrophobicContact CB-CD1 4.28Å; A668-I739 HydrophobicContact CB-CG1 4.41Å; L698-I739 HydrophobicContact CD1-CG1 4.01Å; V735-I739 HydrophobicContact CG1-CD1 3.85Å; V735-I739 VanDerWaalsContact O-CG1 3.28Å; V735-I739 WeakPolarHBondContact O-CG1 3.35Å; V735-I739 PolarHBondContact O-N 3.35Å; L736-I739 PolarHBondContact O-N 2.96Å; I739-C742 WeakPolarHBondContact O-CB 3.38Å; I739-C742 PolarHBondContact O-N 2.99Å; I739-C742 VanDerWaalsContact O-N 3.15Å; I739-L743 HydrophobicContact CG2-CD1 3.92Å; I739-L743 HydrophobicContact CG2-CG 4.34Å; I739-L743 WeakPolarHBondContact O-CG 3.49Å; I739-L743 PolarHBondContact O-N 3.43Å
740	E	97.9	Very high	91.9	Very high	21 Å²	21	66.5 Å²	66.5	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-46.6	-180	-69.5	-170.3	133.1	0	0	111.7	R603 F607 R610 L736 C742 L743 E744	R603-E740 IonicContact CZ-OE2 3.7Å; R603-E740 IonicContact NE-OE2 3.98Å; R603-E740 IonicContact NH2-OE2 3.6Å; R603-E740 PolarHBondContact NH2-OE2 3.23Å; F607-E740 HydrophobicContact CD2-CG 3.8Å; F607-E740 HydrophobicContact CE2-CG 4.11Å; R610-E740 IonicContact CZ-OE1 3.62Å; R610-E740 VanDerWaalsContact CZ-OE1 3.22Å; R610-E740 IonicContact NH1-OE1 2.71Å; R610-E740 PolarHBondContact NH1-OE1 3.43Å; R610-E740 IonicContact NH2-OE1 3.68Å; R610-E740 PolarHBondContact NH2-OE1 3.02Å; L736-E740 HydrophobicContact CG-CG 4.45Å; L736-E740 WeakPolarHBondContact O-CB 3.5Å; L736-E740 VanDerWaalsContact O-CG 3.3Å; L736-E740 WeakPolarHBondContact O-CG 3.31Å; L736-E740 PolarHBondContact O-N 3.32Å; E740-C742 VanDerWaalsContact C-N 3.26Å; E740-C742 PolarHBondContact O-N 3Å; E740-L743 PolarHBondContact O-N 3.41Å; E740-E744 WeakPolarHBondContact O-CG 3.26Å; E740-E744 PolarHBondContact O-N 3.2Å
741	K	96.9	Very high	91.6	Very high	99 Å²	99	63.7 Å²	63.7	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-34.6	174	-67.7	161.5	-150.2	158.1	0	113	D737 D738 K745	D737-K741 WeakPolarHBondContact O-CD 3.3Å; D737-K741 VanDerWaalsContact O-CE 3.25Å; D737-K741 WeakPolarHBondContact O-CE 3.33Å; D737-K741 WeakPolarHBondContact O-CG 3.2Å; D737-K741 PolarHBondContact O-N 2.95Å; D738-K741 IonicContact OD1-NZ 2.66Å; D738-K741 PolarHBondContact OD1-NZ 3.36Å; K741-K745 WeakPolarHBondContact O-CG 3.42Å; K741-K745 PolarHBondContact O-N 3.17Å
742	C	95.6	Very high	91.2	Very high	35 Å²	35	66.9 Å²	66.9	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-70.6	-45.4	178	-172.3	0	0	0	0	111.4	L698 D738 I739 E740 K745 K746	L698-C742 HydrophobicContact CD1-CB 4.1Å; L698-C742 HydrophobicContact CD2-CB 3.99Å; L698-C742 HydrophobicContact CG-CB 4.33Å; D738-C742 PolarHBondContact O-N 2.97Å; D738-C742 VanDerWaalsContact O-N 3.12Å; I739-C742 WeakPolarHBondContact O-CB 3.38Å; I739-C742 PolarHBondContact O-N 2.99Å; I739-C742 VanDerWaalsContact O-N 3.15Å; E740-C742 VanDerWaalsContact C-N 3.26Å; E740-C742 PolarHBondContact O-N 3Å; C742-K745 PolarHBondContact O-N 2.69Å; C742-K746 PolarHBondContact O-N 3.23Å
743	L	95.6	Very high	90.8	Very high	34 Å²	34	70.5 Å²	70.5	18%	0.178	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-39.3	176.6	-66.9	173.8	0	0	0	112	F607 E611 I739 E740 K746 Q747	F607-L743 HydrophobicContact CE2-CD1 3.91Å; F607-L743 HydrophobicContact CZ-CD1 3.95Å; E611-L743 HydrophobicContact CG-CD1 4.14Å; I739-L743 HydrophobicContact CG2-CD1 3.92Å; I739-L743 HydrophobicContact CG2-CG 4.34Å; I739-L743 WeakPolarHBondContact O-CG 3.49Å; I739-L743 PolarHBondContact O-N 3.43Å; E740-L743 PolarHBondContact O-N 3.41Å; L743-K746 WeakPolarHBondContact O-CB 3.49Å; L743-K746 PolarHBondContact O-N 3.03Å; L743-Q747 WeakPolarHBondContact O-CG 3.11Å; L743-Q747 PolarHBondContact O-N 2.89Å
744	E	93.9	Very high	90.4	Very high	102 Å²	102	72.4 Å²	72.4	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-44.5	173.6	-75.5	176.8	-179.7	0	0	112.1	E740 K746 Q747 Q748	E740-E744 WeakPolarHBondContact O-CG 3.26Å; E740-E744 PolarHBondContact O-N 3.2Å; E744-K746 VanDerWaalsContact C-N 3.3Å; E744-K746 PolarHBondContact O-N 2.93Å; E744-Q747 PolarHBondContact O-N 3.35Å; E744-Q748 WeakPolarHBondContact O-CG 3.39Å; E744-Q748 PolarHBondContact O-N 3.48Å
745	K	90.7	Very high	89.8	Confident	151 Å²	151	73.4 Å²	73.4	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-60.5	-40	173.7	-74.8	171.7	-178.5	179.2	0	111.9	K741 C742 Q748 S749	K741-K745 WeakPolarHBondContact O-CG 3.42Å; K741-K745 PolarHBondContact O-N 3.17Å; C742-K745 PolarHBondContact O-N 2.69Å; K745-Q748 PolarHBondContact O-N 2.78Å; K745-S749 WeakPolarHBondContact O-CB 3.48Å; K745-S749 PolarHBondContact O-N 2.7Å; K745-S749 VanDerWaalsContact O-N 3.13Å; K745-S749 PolarHBondContact O-OG 2.88Å
746	K	83.3	Confident	89.3	Confident	100 Å²	100	78 Å²	78	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-45.4	176.4	-163.9	171.8	-175.8	174.8	0	111	D696 C742 L743 E744 Q748 S749 V750	D696-K746 IonicContact OD2-NZ 2.85Å; D696-K746 PolarHBondContact OD2-NZ 3.42Å; C742-K746 PolarHBondContact O-N 3.23Å; L743-K746 WeakPolarHBondContact O-CB 3.49Å; L743-K746 PolarHBondContact O-N 3.03Å; E744-K746 VanDerWaalsContact C-N 3.3Å; E744-K746 PolarHBondContact O-N 2.93Å; K746-Q748 VanDerWaalsContact C-N 3.29Å; K746-Q748 PolarHBondContact O-N 3.17Å; K746-S749 WeakPolarHBondContact CA-OG 3.22Å; K746-S749 PolarHBondContact O-N 2.76Å; K746-S749 VanDerWaalsContact O-N 3.12Å; K746-S749 PolarHBondContact O-OG 3.15Å; K746-V750 WeakPolarHBondContact O-CG2 3.41Å; K746-V750 PolarHBondContact O-N 3.26Å
747	Q	80.6	Confident	88.6	Confident	121 Å²	121	83.5 Å²	83.5	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-64.1	-27.6	175.1	-71.6	178.2	6.6	0	0	113.9	L743 E744	L743-Q747 WeakPolarHBondContact O-CG 3.11Å; L743-Q747 PolarHBondContact O-N 2.89Å; E744-Q747 PolarHBondContact O-N 3.35Å
748	Q	80.4	Confident	87.8	Confident	160 Å²	160	86.2 Å²	86.2	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-82.8	-14.6	174.1	-70.5	174	15.2	0	0	113.8	E744 K745 K746	E744-Q748 WeakPolarHBondContact O-CG 3.39Å; E744-Q748 PolarHBondContact O-N 3.48Å; K745-Q748 PolarHBondContact O-N 2.78Å; K746-Q748 VanDerWaalsContact C-N 3.29Å; K746-Q748 PolarHBondContact O-N 3.17Å
749	S	74	Confident	87	Confident	93 Å²	93	91.2 Å²	91.2	65%	0.65	46%	0.463	S	S	*	.			trans	-95.3	-5.9	-178.4	69.6	0	0	0	0	114.6	K745 K746	K745-S749 WeakPolarHBondContact O-CB 3.48Å; K745-S749 PolarHBondContact O-N 2.7Å; K745-S749 VanDerWaalsContact O-N 3.13Å; K745-S749 PolarHBondContact O-OG 2.88Å; K746-S749 WeakPolarHBondContact CA-OG 3.22Å; K746-S749 PolarHBondContact O-N 2.76Å; K746-S749 VanDerWaalsContact O-N 3.12Å; K746-S749 PolarHBondContact O-OG 3.15Å
750	V	56.3	Low	85.9	Confident	175 Å²	175	99.2 Å²	99.2	100%	1.061	50%	0.503	S	S	*	.			trans	-110.4	0	-179.8	178.7	0	0	0	0	109.6	K746	K746-V750 WeakPolarHBondContact O-CG2 3.41Å; K746-V750 PolarHBondContact O-N 3.26Å

Retrieved 750 of 750 residues in 1935 ms (Link to these results)

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