A0A060W3R4_ONCMY Loading...

tRNA nucleotidyl transferase, CCA-adding, 1

AlphaFold DB , UniProt , Accession A0A060W3R4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 430 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	31.8	Very low	29.3	Very low	221 Å²	221	156.5 Å²	156.5	100%	1.089	83%	0.831	S	S	*	*				0	118.4	0	-131.5	-163.7	-92.3	0	0	106.4
2	W	30.7	Very low	29	Very low	250 Å²	250	152.1 Å²	152.1	95%	0.947	82%	0.822	S	S	*	*			trans	66.3	124.2	170.5	-52.1	71.1	0	0	0	116.5
3	G	28	Very low	28.9	Very low	68 Å²	68	158.3 Å²	158.3	70%	0.701	83%	0.826	S	S	*	*			cis	133.7	120.5	3.9	0	0	0	0	0	111.4
4	R	31.7	Very low	28.8	Very low	241 Å²	241	156.1 Å²	156.1	91%	0.909	82%	0.822	S	S	*	*			trans	71.1	151.8	156.9	-67.1	-177.8	165.7	-169.6	-0.2	118
5	I	34	Very low	28.7	Very low	122 Å²	122	160.3 Å²	160.3	63%	0.626	82%	0.822	S	S	*	*			cis	-166.2	137.1	-11.2	-94.7	157.5	0	0	0	102.8
6	L	28	Very low	28.7	Very low	178 Å²	178	159.3 Å²	159.3	93%	0.932	82%	0.818	S	S	*	*			trans	-154.5	128.6	151.9	-96.2	172.4	0	0	0	109.5
7	N	25.6	Very low	28.7	Very low	143 Å²	143	157.5 Å²	157.5	77%	0.765	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.5	152.1	-174.1	-72.5	-35.2	0	0	0	114.1
8	P	29.4	Very low	28.7	Very low	120 Å²	120	162 Å²	162	78%	0.779	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.1	123.9	160.7	30	-21.4	0	0	0	110.9	V10	P8-V10 PolarHBondContact O-N 2.63Å
9	V	28.6	Very low	29.1	Very low	140 Å²	140	158.1 Å²	158.1	85%	0.848	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.6	121.8	165.9	172.7	0	0	0	0	108.7	S11	V9-S11 PolarHBondContact O-N 2.85Å
10	V	27.4	Very low	29.6	Very low	136 Å²	136	155.4 Å²	155.4	82%	0.824	81%	0.813	S	S	*	*			trans	-78.1	107.8	170.8	176.7	0	0	0	0	108.2	P8 S12	P8-V10 PolarHBondContact O-N 2.63Å; V10-S12 PolarHBondContact O-N 2.97Å
11	S	27	Very low	30.4	Very low	103 Å²	103	155.5 Å²	155.5	72%	0.72	80%	0.803	S	S	*	*			trans	-73.2	117.4	167.3	169.7	0	0	0	0	109.3	V9 R13	V9-S11 PolarHBondContact O-N 2.85Å; S11-R13 PolarHBondContact O-N 3.34Å
12	S	26.3	Very low	31	Very low	103 Å²	103	150.2 Å²	150.2	72%	0.72	79%	0.787	S	S	*	*			trans	-71.7	108.9	176.8	46	0	0	0	0	111.1	V10	V10-S12 PolarHBondContact O-N 2.97Å
13	R	27.3	Very low	32	Very low	233 Å²	233	143.3 Å²	143.3	88%	0.879	77%	0.768	S	S	*	*			trans	-85.4	105.9	157.5	-79.9	-175	177.8	-169.1	-0.2	108.3	S11 R15	S11-R13 PolarHBondContact O-N 3.34Å; R13-R15 PolarHBondContact O-N 3.48Å; R13-R15 VanDerWaalsContact O-N 3.1Å
14	V	28.2	Very low	33.3	Very low	127 Å²	127	144.8 Å²	144.8	77%	0.77	76%	0.756	S	S	*	*			trans	-62.4	107.8	167.2	177.1	0	0	0	0	108
15	R	26.2	Very low	34.7	Very low	219 Å²	219	138.1 Å²	138.1	83%	0.826	74%	0.742	S	S	*	*			trans	-85.7	110.2	165.8	-81.8	-176.4	175	-173.4	-1.1	107.7	R13 T17	R13-R15 PolarHBondContact O-N 3.48Å; R13-R15 VanDerWaalsContact O-N 3.1Å; R15-T17 PolarHBondContact O-N 3.24Å; R15-T17 VanDerWaalsContact O-N 3.13Å
16	L	29.6	Very low	36.9	Very low	145 Å²	145	134.9 Å²	134.9	76%	0.759	72%	0.724	S	S	*	*			trans	-58.2	112.7	158.4	-91.2	96	0	0	0	107.8
17	T	27.9	Very low	39.8	Very low	129 Å²	129	131.2 Å²	131.2	79%	0.791	70%	0.703	S	S	*	*			trans	-95.3	103	170.9	43.8	0	0	0	0	107.9	R15 S19	R15-T17 PolarHBondContact O-N 3.24Å; R15-T17 VanDerWaalsContact O-N 3.13Å; T17-S19 PolarHBondContact O-N 3.33Å
18	W	29	Very low	42.8	Very low	238 Å²	238	125.2 Å²	125.2	90%	0.902	67%	0.671	S	S	*	*			trans	-71.7	105.2	161.7	-76.8	74.2	0	0	0	107	A20	W18-A20 PolarHBondContact O-N 3.49Å
19	S	36.5	Very low	45.6	Very low	88 Å²	88	126.6 Å²	126.6	62%	0.615	66%	0.664	S	S	*	*			trans	-73	110.4	172.6	69.5	0	0	0	0	108.7	T17 R21	T17-S19 PolarHBondContact O-N 3.33Å; S19-R21 PolarHBondContact O-N 3.34Å
20	A	38.8	Very low	48.7	Very low	103 Å²	103	121.8 Å²	121.8	85%	0.851	64%	0.635	S	S	*	*			trans	-61.4	105.2	162.4	0	0	0	0	0	107.8	W18 S22	W18-A20 PolarHBondContact O-N 3.49Å; A20-S22 PolarHBondContact O-N 3.36Å
21	R	45.7	Very low	51.8	Low	159 Å²	159	120.2 Å²	120.2	60%	0.6	63%	0.626	S	S	*	*			trans	-78	118.9	177.1	-68.8	-177.1	178.8	175.7	0.2	108.2	S19	S19-R21 PolarHBondContact O-N 3.34Å
22	S	45.3	Very low	55	Low	109 Å²	109	117.8 Å²	117.8	76%	0.762	60%	0.603	S	S	*	*			trans	-76.7	124.3	-178.1	56.8	0	0	0	0	111.2	A20 F24	A20-S22 PolarHBondContact O-N 3.36Å; S22-F24 PolarHBondContact O-N 2.95Å
23	L	52.7	Low	58.2	Low	106 Å²	106	113.3 Å²	113.3	56%	0.555	57%	0.571	S	S	*	*			trans	-68.7	115.8	163	-87.3	129.8	0	0	0	109	Y163 Y165	L23-Y163 HydrophobicContact CD2-CD1 4.36Å; L23-Y165 HydrophobicContact CD2-CE1 4.24Å
24	F	54.8	Low	61.4	Low	99 Å²	99	109 Å²	109	43%	0.434	56%	0.558	S	S	.	*			trans	-82.3	125.3	167.9	-175.7	-99	0	0	0	108.6	S22 M26 Y169	S22-F24 PolarHBondContact O-N 2.95Å; F24-M26 HydrophobicContact CD1-CB 4.45Å; F24-M26 HydrophobicContact CE1-CB 3.75Å; F24-M26 HydrophobicContact CZ-CB 4.41Å; F24-Y169 HydrophobicContact CE1-CD1 4.13Å; F24-Y169 HydrophobicContact CE1-CE1 4.21Å
25	T	61.2	Low	64.5	Low	100 Å²	100	105.4 Å²	105.4	61%	0.613	54%	0.539	S	S	*	.			trans	-120	117.2	178.5	51.9	0	0	0	0	110	T161	T25-T161 HydrophobicContact CG2-CG2 4.45Å
26	M	80.2	Confident	67.7	Low	54 Å²	54	95.7 Å²	95.7	27%	0.266	50%	0.504	S	S	.	.			trans	-130.3	147.2	171.9	180	-172	77.2	0	0	107.7	F24 L28 L66 T161 L162 Y169	F24-M26 HydrophobicContact CD1-CB 4.45Å; F24-M26 HydrophobicContact CE1-CB 3.75Å; F24-M26 HydrophobicContact CZ-CB 4.41Å; M26-L28 HydrophobicContact CE-CD1 4.46Å; M26-L66 HydrophobicContact CE-CD2 4.13Å; M26-T161 WeakPolarHBondContact O-CA 3.34Å; M26-L162 PolarHBondContact O-N 3.23Å; M26-Y169 HydrophobicContact CE-CE2 4.03Å
27	Q	87.3	Confident	70.8	Confident	101 Å²	101	91.9 Å²	91.9	47%	0.472	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-101.7	122.3	171.9	-73.4	-174.4	-11.2	0	0	111.5	G160	Q27-G160 CarbonylContact C-O 3.58Å; Q27-G160 VanDerWaalsContact CA-O 3.3Å; Q27-G160 WeakPolarHBondContact CA-O 3.45Å
28	L	89.8	Confident	74	Confident	18 Å²	18	87 Å²	87	9%	0.094	45%	0.453	C	S	.	.			trans	-82.2	125.3	174.4	-167.9	69.3	0	0	0	110.6	M26 T30 F33 L65 L66 L156 G160	M26-L28 HydrophobicContact CE-CD1 4.46Å; L28-T30 HydrophobicContact CD1-CG2 3.7Å; L28-T30 HydrophobicContact CG-CG2 4.11Å; L28-F33 HydrophobicContact CD2-CB 4.09Å; L28-F33 HydrophobicContact CD2-CG 4.34Å; L28-F33 HydrophobicContact CG-CB 4.45Å; L28-F33 WeakPolarHBondContact O-CD1 3.3Å; L28-L65 HydrophobicContact CD2-CB 3.91Å; L28-L66 HydrophobicContact CD1-CD2 4.33Å; L28-L156 HydrophobicContact CB-CD1 4.3Å; L28-L156 HydrophobicContact CD2-CD2 3.9Å; L28-G160 PolarHBondContact N-O 3.14Å
29	K	88.8	Confident	77.2	Confident	148 Å²	148	81.4 Å²	81.4	64%	0.643	44%	0.44	S	S	*	.			trans	-130.6	46.3	-179.2	-64.5	-175.4	-178.4	175.8	0	112.4
30	T	91.8	Very high	80	Confident	40 Å²	40	77.2 Å²	77.2	25%	0.245	41%	0.411	C	S	.	.			trans	-89.5	162.4	-178.3	64.3	0	0	0	0	112.6	L28 E32 F33 K34	L28-T30 HydrophobicContact CD1-CG2 3.7Å; L28-T30 HydrophobicContact CG-CG2 4.11Å; T30-E32 VanDerWaalsContact C-N 3.29Å; T30-E32 VanDerWaalsContact CB-OE2 3.3Å; T30-E32 WeakPolarHBondContact CB-OE2 3.46Å; T30-E32 PolarHBondContact OG1-OE2 3.21Å; T30-F33 PolarHBondContact O-N 3.48Å; T30-F33 WeakPolarHBondContact OG1-CB 3.39Å; T30-F33 PolarHBondContact OG1-N 3.39Å; T30-K34 WeakPolarHBondContact O-CG 3.11Å; T30-K34 PolarHBondContact O-N 3.09Å; T30-K34 VanDerWaalsContact O-N 3.09Å
31	T	92.6	Very high	82.7	Confident	103 Å²	103	72.4 Å²	72.4	63%	0.632	37%	0.371	S	S	*	.	H	α-helix	trans	-61.7	-39.2	173.1	31.2	0	0	0	0	111.7	K34 S35	T31-K34 PolarHBondContact O-N 3.47Å; T31-S35 WeakPolarHBondContact O-CB 3.45Å; T31-S35 PolarHBondContact O-N 2.96Å
32	E	94.6	Very high	85.2	Confident	51 Å²	51	67.7 Å²	67.7	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-42.8	-179.5	-60.5	66	-130.4	0	0	110.2	T30 S35 L65 R70	T30-E32 VanDerWaalsContact C-N 3.29Å; T30-E32 VanDerWaalsContact CB-OE2 3.3Å; T30-E32 WeakPolarHBondContact CB-OE2 3.46Å; T30-E32 PolarHBondContact OG1-OE2 3.21Å; E32-S35 PolarHBondContact O-N 3.31Å; E32-S35 PolarHBondContact O-OG 3.35Å; E32-L65 HydrophobicContact CB-CD2 4.15Å; E32-R70 HydrophobicContact CB-CB 4.35Å
33	F	94.7	Very high	87.6	Confident	10 Å²	10	63.2 Å²	63.2	4%	0.044	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-48.2	175.9	178.4	-123.7	0	0	0	111.7	L28 T30 S35 L36 F37 I57 L65 L156	L28-F33 HydrophobicContact CD2-CB 4.09Å; L28-F33 HydrophobicContact CD2-CG 4.34Å; L28-F33 HydrophobicContact CG-CB 4.45Å; L28-F33 WeakPolarHBondContact O-CD1 3.3Å; T30-F33 PolarHBondContact O-N 3.48Å; T30-F33 WeakPolarHBondContact OG1-CB 3.39Å; T30-F33 PolarHBondContact OG1-N 3.39Å; F33-S35 PolarHBondContact O-N 3.26Å; F33-L36 WeakPolarHBondContact O-CB 3.48Å; F33-L36 PolarHBondContact O-N 2.69Å; F33-L36 VanDerWaalsContact O-N 3.09Å; F33-F37 HydrophobicContact CD1-CE2 4.14Å; F33-F37 HydrophobicContact CD2-CE2 4.09Å; F33-F37 AromaticContact CE1-CE2 3.78Å; F33-F37 HydrophobicContact CE1-CE2 3.78Å; F33-F37 AromaticContact CE1-CZ 3.99Å; F33-F37 HydrophobicContact CE1-CZ 3.99Å; F33-F37 AromaticContact CE2-CE2 3.73Å; F33-F37 HydrophobicContact CE2-CE2 3.73Å; F33-F37 AromaticContact CE2-CZ 3.91Å; F33-F37 HydrophobicContact CE2-CZ 3.91Å; F33-F37 HydrophobicContact CG-CE2 4.29Å; F33-F37 AromaticContact CZ-CE2 3.57Å; F33-F37 HydrophobicContact CZ-CE2 3.57Å; F33-F37 AromaticContact CZ-CZ 3.51Å; F33-F37 HydrophobicContact CZ-CZ 3.51Å; F33-F37 WeakPolarHBondContact O-CD2 3.3Å; F33-F37 WeakPolarHBondContact O-CE2 3.42Å; F33-I57 HydrophobicContact CD2-CD1 4.43Å; F33-I57 HydrophobicContact CE2-CD1 3.9Å; F33-L65 HydrophobicContact CB-CD2 4.15Å; F33-L65 HydrophobicContact CD2-CD1 4Å; F33-L156 HydrophobicContact CD2-CD2 3.79Å; F33-L156 HydrophobicContact CE2-CD2 3.63Å; F33-L156 HydrophobicContact CE2-CG 4.37Å; F33-L156 HydrophobicContact CZ-CD2 4.31Å
34	K	93.1	Very high	89.7	Confident	141 Å²	141	58.2 Å²	58.2	61%	0.613	30%	0.302	S	S	*	.	H	α-helix	trans	-59	-33.2	177.2	-72.7	178.1	-179.7	-178.6	0	112.7	T30 T31 L36 F37	T30-K34 WeakPolarHBondContact O-CG 3.11Å; T30-K34 PolarHBondContact O-N 3.09Å; T30-K34 VanDerWaalsContact O-N 3.09Å; T31-K34 PolarHBondContact O-N 3.47Å; K34-L36 PolarHBondContact O-N 3.25Å; K34-L36 VanDerWaalsContact O-N 3.14Å; K34-F37 PolarHBondContact O-N 2.9Å
35	S	93.8	Very high	91.7	Very high	53 Å²	53	54.5 Å²	54.5	37%	0.371	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.3	178.9	81.2	0	0	0	0	114.8	T31 E32 F33 R70	T31-S35 WeakPolarHBondContact O-CB 3.45Å; T31-S35 PolarHBondContact O-N 2.96Å; E32-S35 PolarHBondContact O-N 3.31Å; E32-S35 PolarHBondContact O-OG 3.35Å; F33-S35 PolarHBondContact O-N 3.26Å; S35-R70 VanDerWaalsContact OG-CD 3.26Å; S35-R70 WeakPolarHBondContact OG-CD 3.38Å; S35-R70 PolarHBondContact OG-NE 2.83Å; S35-R70 VanDerWaalsContact OG-NE 3.12Å
36	L	94.1	Very high	93.4	Very high	15 Å²	15	55.9 Å²	55.9	8%	0.079	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-20.9	175.3	-59.4	-174.7	0	0	0	113	F33 K34 S38 L41 I57 L65 R70 P71 V74	F33-L36 WeakPolarHBondContact O-CB 3.48Å; F33-L36 PolarHBondContact O-N 2.69Å; F33-L36 VanDerWaalsContact O-N 3.09Å; K34-L36 PolarHBondContact O-N 3.25Å; K34-L36 VanDerWaalsContact O-N 3.14Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 2.83Å; L36-L41 HydrophobicContact CB-CD2 4.19Å; L36-L41 WeakPolarHBondContact O-CD2 3.38Å; L36-I57 HydrophobicContact CD1-CD1 4.01Å; L36-L65 HydrophobicContact CD1-CD1 3.86Å; L36-L65 HydrophobicContact CD1-CD2 4.08Å; L36-L65 HydrophobicContact CD1-CG 4.43Å; L36-R70 HydrophobicContact CD2-CG 4.21Å; L36-P71 HydrophobicContact CD1-CG 4.17Å; L36-P71 HydrophobicContact CD2-CG 4.14Å; L36-V74 HydrophobicContact CD1-CG2 4.33Å; L36-V74 HydrophobicContact CD2-CG2 4.14Å
37	F	94.4	Very high	94.1	Very high	65 Å²	65	54.6 Å²	54.6	29%	0.285	28%	0.284	S	S	.	.			trans	-81	70.8	-174.6	-67.2	-95.8	0	0	0	111.7	F33 K34 L41 L158	F33-F37 HydrophobicContact CD1-CE2 4.14Å; F33-F37 HydrophobicContact CD2-CE2 4.09Å; F33-F37 AromaticContact CE1-CE2 3.78Å; F33-F37 HydrophobicContact CE1-CE2 3.78Å; F33-F37 AromaticContact CE1-CZ 3.99Å; F33-F37 HydrophobicContact CE1-CZ 3.99Å; F33-F37 AromaticContact CE2-CE2 3.73Å; F33-F37 HydrophobicContact CE2-CE2 3.73Å; F33-F37 AromaticContact CE2-CZ 3.91Å; F33-F37 HydrophobicContact CE2-CZ 3.91Å; F33-F37 HydrophobicContact CG-CE2 4.29Å; F33-F37 AromaticContact CZ-CE2 3.57Å; F33-F37 HydrophobicContact CZ-CE2 3.57Å; F33-F37 AromaticContact CZ-CZ 3.51Å; F33-F37 HydrophobicContact CZ-CZ 3.51Å; F33-F37 WeakPolarHBondContact O-CD2 3.3Å; F33-F37 WeakPolarHBondContact O-CE2 3.42Å; K34-F37 PolarHBondContact O-N 2.9Å; F37-L41 HydrophobicContact CD1-CD2 4.42Å; F37-L158 HydrophobicContact CE1-CB 4.13Å; F37-L158 WeakPolarHBondContact CE1-O 3.44Å; F37-L158 HydrophobicContact CZ-CB 4.34Å; F37-L158 WeakPolarHBondContact CZ-O 3.3Å
38	S	95.1	Very high	94.6	Very high	27 Å²	27	49.9 Å²	49.9	19%	0.189	26%	0.262	C	S	.	.			trans	-74.7	166.1	168.1	66	0	0	0	0	111.3	L36 G40 L41 N42 E114	L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 2.83Å; S38-G40 PolarHBondContact O-N 3.44Å; S38-G40 PolarHBondContact OG-N 2.88Å; S38-L41 PolarHBondContact O-N 3.33Å; S38-L41 VanDerWaalsContact O-N 3.13Å; S38-L41 PolarHBondContact OG-N 3.36Å; S38-N42 VanDerWaalsContact O-CG 3.3Å; S38-N42 PolarHBondContact O-N 2.93Å; S38-N42 PolarHBondContact O-ND2 3.03Å; S38-N42 VanDerWaalsContact O-ND2 3.16Å; S38-E114 WeakPolarHBondContact CB-OE1 3.19Å; S38-E114 WeakPolarHBondContact CB-OE2 3.31Å; S38-E114 PolarHBondContact OG-OE1 3.23Å; S38-E114 PolarHBondContact OG-OE2 3.23Å
39	D	95.9	Very high	94.9	Very high	119 Å²	119	56.3 Å²	56.3	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-56	-34	169.7	-63.1	-25	0	0	0	111.4	G43	D39-G43 PolarHBondContact O-N 2.89Å
40	G	95.9	Very high	95.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-54	172.4	0	0	0	0	0	112.6	S38 N42 G43 I44	S38-G40 PolarHBondContact O-N 3.44Å; S38-G40 PolarHBondContact OG-N 2.88Å; G40-N42 PolarHBondContact O-N 2.84Å; G40-G43 PolarHBondContact O-N 3.26Å; G40-I44 WeakPolarHBondContact O-CG1 3.38Å; G40-I44 PolarHBondContact O-N 3.13Å
41	L	96.1	Very high	95.5	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-41.6	-179	-178.9	55.7	0	0	0	111.7	L36 F37 S38 I44 A45 F76 F116	L36-L41 HydrophobicContact CB-CD2 4.19Å; L36-L41 WeakPolarHBondContact O-CD2 3.38Å; F37-L41 HydrophobicContact CD1-CD2 4.42Å; S38-L41 PolarHBondContact O-N 3.33Å; S38-L41 VanDerWaalsContact O-N 3.13Å; S38-L41 PolarHBondContact OG-N 3.36Å; L41-I44 PolarHBondContact O-N 2.87Å; L41-A45 WeakPolarHBondContact O-CB 3.44Å; L41-A45 PolarHBondContact O-N 3.3Å; L41-F76 HydrophobicContact CD1-CE1 3.58Å; L41-F76 HydrophobicContact CD1-CE2 4.41Å; L41-F76 HydrophobicContact CD1-CZ 3.45Å; L41-F76 VanDerWaalsContact CD1-CZ 3.45Å; L41-F76 HydrophobicContact CD2-CZ 4.41Å; L41-F116 HydrophobicContact CB-CE1 3.91Å; L41-F116 HydrophobicContact CB-CZ 4.38Å; L41-F116 HydrophobicContact CD1-CD1 4.32Å; L41-F116 HydrophobicContact CD1-CE1 4.12Å; L41-F116 VanDerWaalsContact N-CZ 3.35Å
42	N	96.4	Very high	95.7	Very high	59 Å²	59	62.9 Å²	62.9	32%	0.316	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-45.9	178	-67.4	-31.5	0	0	0	111	S38 G40 I44 A45 E46	S38-N42 VanDerWaalsContact O-CG 3.3Å; S38-N42 PolarHBondContact O-N 2.93Å; S38-N42 PolarHBondContact O-ND2 3.03Å; S38-N42 VanDerWaalsContact O-ND2 3.16Å; G40-N42 PolarHBondContact O-N 2.84Å; N42-I44 VanDerWaalsContact C-N 3.34Å; N42-I44 PolarHBondContact O-N 3.36Å; N42-A45 PolarHBondContact O-N 3.5Å; N42-E46 WeakPolarHBondContact O-CG 3.35Å; N42-E46 PolarHBondContact O-N 3.28Å
43	G	96.5	Very high	95.9	Very high	16 Å²	16	62.6 Å²	62.6	17%	0.165	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-37.1	177.1	0	0	0	0	0	113.4	D39 G40 I47	D39-G43 PolarHBondContact O-N 2.89Å; G40-G43 PolarHBondContact O-N 3.26Å; G43-I47 WeakPolarHBondContact O-CD1 3.39Å; G43-I47 VanDerWaalsContact O-CG1 3.29Å; G43-I47 WeakPolarHBondContact O-CG1 3.38Å; G43-I47 PolarHBondContact O-N 3.16Å
44	I	96.8	Very high	96	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-48.6	172	-68.2	-65.5	0	0	0	110.3	G40 L41 N42 E46 I47 F48 L55 F89 I94 A109 L111 F116	G40-I44 WeakPolarHBondContact O-CG1 3.38Å; G40-I44 PolarHBondContact O-N 3.13Å; L41-I44 PolarHBondContact O-N 2.87Å; N42-I44 VanDerWaalsContact C-N 3.34Å; N42-I44 PolarHBondContact O-N 3.36Å; I44-E46 PolarHBondContact O-N 2.98Å; I44-I47 WeakPolarHBondContact O-CB 3.31Å; I44-I47 PolarHBondContact O-N 3.23Å; I44-I47 VanDerWaalsContact O-N 3.15Å; I44-F48 HydrophobicContact CG2-CD2 3.92Å; I44-F48 HydrophobicContact CG2-CE2 3.84Å; I44-F48 WeakPolarHBondContact O-CD2 3.25Å; I44-F48 PolarHBondContact O-N 3.39Å; I44-L55 HydrophobicContact CG2-CD2 3.85Å; I44-F89 HydrophobicContact CD1-CE1 3.93Å; I44-I94 HydrophobicContact CD1-CD1 4.13Å; I44-A109 HydrophobicContact CD1-CB 3.93Å; I44-L111 HydrophobicContact CD1-CB 4.29Å; I44-L111 HydrophobicContact CD1-CD2 4.22Å; I44-L111 HydrophobicContact CG1-CB 4.41Å; I44-L111 HydrophobicContact CG1-CD2 4.1Å; I44-F116 HydrophobicContact CD1-CD2 4.26Å; I44-F116 HydrophobicContact CG1-CB 4.47Å; I44-F116 HydrophobicContact CG1-CD1 4.44Å; I44-F116 HydrophobicContact CG1-CD2 3.69Å; I44-F116 HydrophobicContact CG1-CE2 4.02Å; I44-F116 HydrophobicContact CG1-CG 3.93Å
45	A	96.6	Very high	96.3	Very high	22 Å²	22	60.6 Å²	60.6	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-46.5	-179.2	0	0	0	0	0	112.7	L41 N42 I47 F48 E49 L158	L41-A45 WeakPolarHBondContact O-CB 3.44Å; L41-A45 PolarHBondContact O-N 3.3Å; N42-A45 PolarHBondContact O-N 3.5Å; A45-I47 VanDerWaalsContact C-N 3.26Å; A45-I47 PolarHBondContact O-N 3.13Å; A45-F48 PolarHBondContact O-N 3.1Å; A45-E49 PolarHBondContact O-N 3.47Å; A45-L158 HydrophobicContact CB-CD1 3.41Å; A45-L158 VanDerWaalsContact CB-CD1 3.41Å
46	E	96.6	Very high	96.5	Very high	129 Å²	129	59 Å²	59	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-59.1	-37	177.6	-74.3	176.1	-170	0	0	112.4	N42 I44 K50	N42-E46 WeakPolarHBondContact O-CG 3.35Å; N42-E46 PolarHBondContact O-N 3.28Å; I44-E46 PolarHBondContact O-N 2.98Å; E46-K50 VanDerWaalsContact O-CB 3.26Å; E46-K50 WeakPolarHBondContact O-CB 3.26Å; E46-K50 PolarHBondContact O-N 3.3Å
47	I	96.4	Very high	96.7	Very high	26 Å²	26	58.3 Å²	58.3	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-44.7	178.6	-73.9	169.6	0	0	0	111.2	G43 I44 A45 K50 H51 M88 A92 I94	G43-I47 WeakPolarHBondContact O-CD1 3.39Å; G43-I47 VanDerWaalsContact O-CG1 3.29Å; G43-I47 WeakPolarHBondContact O-CG1 3.38Å; G43-I47 PolarHBondContact O-N 3.16Å; I44-I47 WeakPolarHBondContact O-CB 3.31Å; I44-I47 PolarHBondContact O-N 3.23Å; I44-I47 VanDerWaalsContact O-N 3.15Å; A45-I47 VanDerWaalsContact C-N 3.26Å; A45-I47 PolarHBondContact O-N 3.13Å; I47-K50 PolarHBondContact O-N 2.87Å; I47-H51 PolarHBondContact O-N 2.94Å; I47-H51 PolarHBondContact O-ND1 2.91Å; I47-M88 HydrophobicContact CG2-CE 4.14Å; I47-M88 HydrophobicContact CG2-CG 3.37Å; I47-M88 HydrophobicContact CG2-SD 3.5Å; I47-M88 VanDerWaalsContact CG2-SD 3.5Å; I47-A92 HydrophobicContact CD1-CB 3.87Å; I47-I94 HydrophobicContact CD1-CD1 3.14Å; I47-I94 HydrophobicContact CD1-CG1 4.22Å
48	F	97.6	Very high	96.8	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176.1	-84.1	-97.2	0	0	0	111.3	I44 A45 H51 K52 F53 L55 T78 A80 M85 M88 F89 V118	I44-F48 HydrophobicContact CG2-CD2 3.92Å; I44-F48 HydrophobicContact CG2-CE2 3.84Å; I44-F48 WeakPolarHBondContact O-CD2 3.25Å; I44-F48 PolarHBondContact O-N 3.39Å; A45-F48 PolarHBondContact O-N 3.1Å; F48-H51 CarbonylContact O-C 3.54Å; F48-H51 PolarHBondContact O-N 3.31Å; F48-K52 PolarHBondContact O-N 3.42Å; F48-F53 HydrophobicContact CD1-CB 3.87Å; F48-F53 PolarHBondContact O-N 2.95Å; F48-L55 HydrophobicContact CB-CB 4.07Å; F48-L55 HydrophobicContact CB-CD2 4.43Å; F48-L55 HydrophobicContact CD1-CB 4.08Å; F48-L55 HydrophobicContact CD1-CD1 4.2Å; F48-L55 HydrophobicContact CD2-CD1 4.36Å; F48-L55 HydrophobicContact CD2-CD2 3.86Å; F48-L55 HydrophobicContact CE1-CD1 4.09Å; F48-L55 HydrophobicContact CE2-CD1 4.22Å; F48-L55 HydrophobicContact CE2-CD2 4.3Å; F48-L55 HydrophobicContact CG-CB 3.99Å; F48-L55 HydrophobicContact CG-CD1 4.36Å; F48-L55 HydrophobicContact CG-CD2 4.09Å; F48-L55 HydrophobicContact CG-CG 4.38Å; F48-L55 HydrophobicContact CZ-CD1 4.1Å; F48-T78 WeakPolarHBondContact CD1-OG1 3.29Å; F48-T78 HydrophobicContact CE1-CG2 3.93Å; F48-T78 WeakPolarHBondContact CE1-OG1 3.26Å; F48-A80 HydrophobicContact CE1-CB 4.18Å; F48-M85 HydrophobicContact CE1-CG 4.38Å; F48-M85 HydrophobicContact CE1-SD 4.47Å; F48-M85 HydrophobicContact CZ-CG 4.23Å; F48-M85 HydrophobicContact CZ-SD 4.12Å; F48-M88 HydrophobicContact CD1-CE 3.99Å; F48-M88 HydrophobicContact CD2-CE 3.9Å; F48-M88 HydrophobicContact CE1-CE 3.69Å; F48-M88 HydrophobicContact CE2-CE 3.64Å; F48-M88 HydrophobicContact CG-CE 4.08Å; F48-M88 HydrophobicContact CZ-CE 3.51Å; F48-F89 AromaticContact CE2-CE1 3.91Å; F48-F89 HydrophobicContact CE2-CE1 3.91Å; F48-F89 AromaticContact CE2-CZ 3.63Å; F48-F89 HydrophobicContact CE2-CZ 3.63Å; F48-F89 AromaticContact CZ-CZ 3.88Å; F48-F89 HydrophobicContact CZ-CZ 3.88Å; F48-V118 HydrophobicContact CE1-CG1 4.29Å; F48-V118 HydrophobicContact CZ-CG1 3.82Å; F48-V118 HydrophobicContact CZ-CG2 4.4Å
49	E	96.1	Very high	96.7	Very high	153 Å²	153	54.1 Å²	54.1	72%	0.715	26%	0.262	S	S	*	.	H	α-helix	trans	-61.4	-46.1	177.2	-174.1	174.8	-165.4	0	0	111.8	A45 H51 K52	A45-E49 PolarHBondContact O-N 3.47Å; E49-H51 PolarHBondContact O-N 3.2Å; E49-K52 PolarHBondContact O-N 3.48Å
50	K	96.6	Very high	96.6	Very high	168 Å²	168	49.5 Å²	49.5	73%	0.73	24%	0.242	S	C	*	.	H	α-helix	trans	-57.8	-36.9	177.3	-179.6	179.2	176.8	-177.8	0	112.7	E46 I47 K52	E46-K50 VanDerWaalsContact O-CB 3.26Å; E46-K50 WeakPolarHBondContact O-CB 3.26Å; E46-K50 PolarHBondContact O-N 3.3Å; I47-K50 PolarHBondContact O-N 2.87Å; K50-K52 VanDerWaalsContact C-N 3.33Å
51	H	96.3	Very high	96.6	Very high	72 Å²	72	49.6 Å²	49.6	33%	0.333	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2	178.5	-65.3	82.4	0	0	0	113.3	I47 F48 E49 F53 M88	I47-H51 PolarHBondContact O-N 2.94Å; I47-H51 PolarHBondContact O-ND1 2.91Å; F48-H51 CarbonylContact O-C 3.54Å; F48-H51 PolarHBondContact O-N 3.31Å; E49-H51 PolarHBondContact O-N 3.2Å; H51-F53 VanDerWaalsContact C-N 3.3Å; H51-F53 HydrophobicContact CB-CD2 3.74Å; H51-F53 HydrophobicContact CB-CE2 3.99Å; H51-F53 PolarHBondContact O-N 3.32Å; H51-M88 HydrophobicContact CB-SD 3.74Å
52	K	96.8	Very high	96.6	Very high	190 Å²	190	49.5 Å²	49.5	83%	0.826	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	34.1	178.6	-51.5	-177.8	179.7	-179.5	0	114	F48 E49 K50	F48-K52 PolarHBondContact O-N 3.42Å; E49-K52 PolarHBondContact O-N 3.48Å; K50-K52 VanDerWaalsContact C-N 3.33Å
53	F	97.8	Very high	96.6	Very high	45 Å²	45	47.1 Å²	47.1	20%	0.197	23%	0.229	C	C	.	.			trans	-101.1	140.8	169.8	-66	-62.5	0	0	0	110.2	F48 H51 A80 E84 M88	F48-F53 HydrophobicContact CD1-CB 3.87Å; F48-F53 PolarHBondContact O-N 2.95Å; H51-F53 VanDerWaalsContact C-N 3.3Å; H51-F53 HydrophobicContact CB-CD2 3.74Å; H51-F53 HydrophobicContact CB-CE2 3.99Å; H51-F53 PolarHBondContact O-N 3.32Å; F53-A80 HydrophobicContact CB-CB 3.95Å; F53-A80 HydrophobicContact CD1-CB 3.74Å; F53-A80 HydrophobicContact CD2-CB 3.76Å; F53-A80 HydrophobicContact CE1-CB 4.11Å; F53-A80 HydrophobicContact CE2-CB 4.14Å; F53-A80 HydrophobicContact CG-CB 3.55Å; F53-A80 HydrophobicContact CZ-CB 4.31Å; F53-E84 HydrophobicContact CE2-CB 4.13Å; F53-E84 HydrophobicContact CZ-CB 3.9Å; F53-E84 VanDerWaalsContact CZ-CD 3.45Å; F53-E84 HydrophobicContact CZ-CG 3.97Å; F53-M88 HydrophobicContact CD2-SD 4.3Å
54	E	97.8	Very high	96.5	Very high	90 Å²	90	47.1 Å²	47.1	42%	0.421	23%	0.225	S	C	.	.			trans	-78	140.2	176.1	-62	-172.7	-175.3	0	0	110.2	R56 T78 T79 W140	E54-R56 IonicContact OE2-CZ 3.44Å; E54-R56 IonicContact OE2-NE 3.67Å; E54-R56 IonicContact OE2-NH2 2.69Å; E54-R56 PolarHBondContact OE2-NH2 2.94Å; E54-T78 WeakPolarHBondContact O-CA 3.48Å; E54-T78 VanDerWaalsContact O-CB 3.24Å; E54-T78 WeakPolarHBondContact O-CB 3.22Å; E54-T78 PolarHBondContact O-OG1 3.05Å; E54-T79 HydrophobicContact CB-CG2 4.1Å; E54-T79 HydrophobicContact CG-CG2 4.46Å; E54-T79 PolarHBondContact N-OG1 3.15Å; E54-T79 VanDerWaalsContact N-OG1 3.13Å; E54-T79 PolarHBondContact O-N 2.95Å; E54-W140 HydrophobicContact CB-CZ2 3.83Å; E54-W140 PolarHBondContact OE2-NE1 3.17Å
55	L	98.2	Very high	96.4	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.5	176.1	-175.9	70.6	0	0	0	108.9	I44 F48 F76 V118 L158	I44-L55 HydrophobicContact CG2-CD2 3.85Å; F48-L55 HydrophobicContact CB-CB 4.07Å; F48-L55 HydrophobicContact CB-CD2 4.43Å; F48-L55 HydrophobicContact CD1-CB 4.08Å; F48-L55 HydrophobicContact CD1-CD1 4.2Å; F48-L55 HydrophobicContact CD2-CD1 4.36Å; F48-L55 HydrophobicContact CD2-CD2 3.86Å; F48-L55 HydrophobicContact CE1-CD1 4.09Å; F48-L55 HydrophobicContact CE2-CD1 4.22Å; F48-L55 HydrophobicContact CE2-CD2 4.3Å; F48-L55 HydrophobicContact CG-CB 3.99Å; F48-L55 HydrophobicContact CG-CD1 4.36Å; F48-L55 HydrophobicContact CG-CD2 4.09Å; F48-L55 HydrophobicContact CG-CG 4.38Å; F48-L55 HydrophobicContact CZ-CD1 4.1Å; L55-F76 HydrophobicContact CD1-CB 3.82Å; L55-F76 HydrophobicContact CD1-CD1 4.35Å; L55-F76 HydrophobicContact CD1-CG 4.37Å; L55-F76 HydrophobicContact CG-CD1 4.29Å; L55-V118 HydrophobicContact CD1-CG1 3.76Å; L55-L158 HydrophobicContact CD2-CD1 4.34Å
56	R	98.3	Very high	96.3	Very high	20 Å²	20	47.6 Å²	47.6	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.7	178.8	-55.7	-178.1	-168.3	166.8	2.3	110.5	E54 F76 A77 W140 F155 Y163	E54-R56 IonicContact OE2-CZ 3.44Å; E54-R56 IonicContact OE2-NE 3.67Å; E54-R56 IonicContact OE2-NH2 2.69Å; E54-R56 PolarHBondContact OE2-NH2 2.94Å; R56-F76 CarbonylContact O-C 3.57Å; R56-F76 WeakPolarHBondContact O-CA 3.26Å; R56-A77 PolarHBondContact N-O 3.4Å; R56-A77 PolarHBondContact O-N 2.7Å; R56-W140 HydrophobicContact CB-CH2 3.54Å; R56-W140 HydrophobicContact CB-CZ2 4.39Å; R56-W140 HydrophobicContact CB-CZ3 3.77Å; R56-W140 VanDerWaalsContact CD-CH2 3.46Å; R56-W140 HydrophobicContact CG-CH2 3.4Å; R56-W140 VanDerWaalsContact CG-CH2 3.4Å; R56-W140 HydrophobicContact CG-CZ2 3.76Å; R56-W140 HydrophobicContact CG-CZ3 3.93Å; R56-W140 VanDerWaalsContact NH1-CD2 3.28Å; R56-W140 VanDerWaalsContact NH1-CG 3.33Å; R56-F155 HydrophobicContact CB-CB 4.15Å; R56-Y163 VanDerWaalsContact NH1-CD1 3.34Å
57	I	97.9	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.6	167.3	-58.4	168.5	0	0	0	107.7	F33 L36 A61 V62 L65 V74 F76 F155 L156 L158	F33-I57 HydrophobicContact CD2-CD1 4.43Å; F33-I57 HydrophobicContact CE2-CD1 3.9Å; L36-I57 HydrophobicContact CD1-CD1 4.01Å; I57-A61 HydrophobicContact CG2-CB 3.65Å; I57-V62 HydrophobicContact CB-CG2 4.34Å; I57-V62 HydrophobicContact CG2-CG2 3.89Å; I57-V62 WeakPolarHBondContact O-CG2 3.18Å; I57-L65 HydrophobicContact CD1-CD1 4.27Å; I57-V74 HydrophobicContact CG1-CG1 4.18Å; I57-V74 HydrophobicContact CG2-CG1 3.81Å; I57-F76 HydrophobicContact CG1-CD1 4.15Å; I57-F76 HydrophobicContact CG1-CE1 3.71Å; I57-F155 CarbonylContact O-C 3.56Å; I57-F155 VanDerWaalsContact O-CA 3.24Å; I57-F155 WeakPolarHBondContact O-CA 3.3Å; I57-L156 HydrophobicContact CB-CB 4.25Å; I57-L156 PolarHBondContact N-O 3.23Å; I57-L156 PolarHBondContact O-N 2.82Å; I57-L158 HydrophobicContact CD1-CD2 4.35Å; I57-L158 HydrophobicContact CG1-CD2 4.19Å
58	A	96.9	Very high	95.9	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.3	-174	0	0	0	0	0	113.4	G60 D75 A77 F155	A58-G60 PolarHBondContact O-N 3.47Å; A58-D75 PolarHBondContact N-O 3.27Å; A58-A77 HydrophobicContact CB-CB 3.84Å; A58-F155 HydrophobicContact CB-CD1 3.69Å; A58-F155 HydrophobicContact CB-CE1 3.9Å
59	G	93.9	Very high	95.6	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-123.8	161.4	0	0	0	0	0	115.6	A61 V62 R63 N152 M154	G59-A61 VanDerWaalsContact C-N 3.27Å; G59-A61 PolarHBondContact O-N 2.91Å; G59-V62 WeakPolarHBondContact O-CB 3.43Å; G59-V62 PolarHBondContact O-N 3.26Å; G59-V62 VanDerWaalsContact O-N 3.13Å; G59-R63 PolarHBondContact O-N 2.81Å; G59-N152 VanDerWaalsContact CA-O 3.3Å; G59-N152 WeakPolarHBondContact CA-O 3.04Å; G59-M154 PolarHBondContact N-O 3.3Å; G59-M154 VanDerWaalsContact N-O 3.1Å
60	G	93.3	Very high	95.4	Very high	21 Å²	21	49.9 Å²	49.9	22%	0.216	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-32.5	-169.5	0	0	0	0	0	114	A58 R63 D64	A58-G60 PolarHBondContact O-N 3.47Å; G60-R63 PolarHBondContact O-N 3.2Å; G60-R63 PolarHBondContact O-NH2 3.09Å; G60-D64 VanDerWaalsContact O-CG 3.31Å; G60-D64 PolarHBondContact O-N 3.12Å; G60-D64 VanDerWaalsContact O-N 3.09Å
61	A	95.6	Very high	95.3	Very high	3 Å²	3	42 Å²	42	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-65.6	-39.9	176.5	0	0	0	0	0	111.8	I57 G59 D64 L65 P71 V74	I57-A61 HydrophobicContact CG2-CB 3.65Å; G59-A61 VanDerWaalsContact C-N 3.27Å; G59-A61 PolarHBondContact O-N 2.91Å; A61-D64 PolarHBondContact O-N 2.97Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 WeakPolarHBondContact O-CG 3.39Å; A61-L65 PolarHBondContact O-N 3.13Å; A61-P71 HydrophobicContact CB-CB 3.93Å; A61-P71 HydrophobicContact CB-CG 4.06Å; A61-V74 HydrophobicContact CB-CG1 4.17Å
62	V	96.7	Very high	94.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-46.1	176.4	-176.4	0	0	0	0	110.6	I57 G59 D64 L65 L66 M154 L156 L162	I57-V62 HydrophobicContact CB-CG2 4.34Å; I57-V62 HydrophobicContact CG2-CG2 3.89Å; I57-V62 WeakPolarHBondContact O-CG2 3.18Å; G59-V62 WeakPolarHBondContact O-CB 3.43Å; G59-V62 PolarHBondContact O-N 3.26Å; G59-V62 VanDerWaalsContact O-N 3.13Å; V62-D64 VanDerWaalsContact C-N 3.33Å; V62-D64 PolarHBondContact O-N 3.17Å; V62-L65 PolarHBondContact O-N 2.91Å; V62-L66 HydrophobicContact CG1-CD1 3.85Å; V62-L66 HydrophobicContact CG1-CG 4.35Å; V62-L66 WeakPolarHBondContact O-CB 3.39Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.24Å; V62-L66 PolarHBondContact O-N 2.99Å; V62-M154 HydrophobicContact CB-CB 4.49Å; V62-M154 HydrophobicContact CG1-CB 3.85Å; V62-L156 HydrophobicContact CG1-CB 4.17Å; V62-L156 HydrophobicContact CG2-CB 3.92Å; V62-L162 HydrophobicContact CG1-CD1 3.8Å
63	R	95.7	Very high	94.4	Very high	9 Å²	9	44.7 Å²	44.7	3%	0.034	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-44.8	175.9	-175.9	-160.2	60.7	-113.8	-9.7	112.4	G59 G60 S67 I151 N152 L172	G59-R63 PolarHBondContact O-N 2.81Å; G60-R63 PolarHBondContact O-N 3.2Å; G60-R63 PolarHBondContact O-NH2 3.09Å; R63-S67 WeakPolarHBondContact O-CB 3.39Å; R63-S67 PolarHBondContact O-N 2.99Å; R63-S67 PolarHBondContact O-OG 3.37Å; R63-I151 WeakPolarHBondContact CB-O 3.4Å; R63-I151 HydrophobicContact CG-CB 4.44Å; R63-N152 PolarHBondContact NH1-OD1 3.26Å; R63-L172 HydrophobicContact CG-CD1 3.84Å; R63-L172 HydrophobicContact CG-CD2 4.09Å
64	D	94.7	Very high	94.2	Very high	16 Å²	16	44 Å²	44	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-43.3	-178.1	-68.6	-20.3	0	0	0	111.2	G60 A61 V62 L66 S67 G68 K69 P71 R203	G60-D64 VanDerWaalsContact O-CG 3.31Å; G60-D64 PolarHBondContact O-N 3.12Å; G60-D64 VanDerWaalsContact O-N 3.09Å; A61-D64 PolarHBondContact O-N 2.97Å; V62-D64 VanDerWaalsContact C-N 3.33Å; V62-D64 PolarHBondContact O-N 3.17Å; D64-L66 PolarHBondContact O-N 2.65Å; D64-S67 CarbonylContact O-C 3.21Å; D64-S67 WeakPolarHBondContact O-CA 3.48Å; D64-S67 WeakPolarHBondContact O-CB 3.32Å; D64-S67 PolarHBondContact O-N 3Å; D64-G68 PolarHBondContact O-N 3.01Å; D64-K69 CarbonylContact C-O 3.53Å; D64-K69 HydrophobicContact CB-CB 4.41Å; D64-K69 PolarHBondContact O-N 3.02Å; D64-K69 VanDerWaalsContact O-O 3.1Å; D64-P71 HydrophobicContact CB-CB 4.39Å; D64-R203 IonicContact OD1-CZ 3.87Å; D64-R203 IonicContact OD1-NE 2.76Å; D64-R203 PolarHBondContact OD1-NE 3.45Å; D64-R203 IonicContact OD1-NH2 3.88Å; D64-R203 PolarHBondContact OD1-NH2 2.86Å; D64-R203 IonicContact OD2-CZ 2.84Å; D64-R203 IonicContact OD2-NH2 2.7Å; D64-R203 PolarHBondContact OD2-NH2 2.99Å
65	L	95.6	Very high	94	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-46.2	174.2	-74.5	172.2	0	0	0	112.5	L28 E32 F33 L36 I57 A61 V62 S67 G68 K69 P71 L156	L28-L65 HydrophobicContact CD2-CB 3.91Å; E32-L65 HydrophobicContact CB-CD2 4.15Å; F33-L65 HydrophobicContact CB-CD2 4.15Å; F33-L65 HydrophobicContact CD2-CD1 4Å; L36-L65 HydrophobicContact CD1-CD1 3.86Å; L36-L65 HydrophobicContact CD1-CD2 4.08Å; L36-L65 HydrophobicContact CD1-CG 4.43Å; I57-L65 HydrophobicContact CD1-CD1 4.27Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 WeakPolarHBondContact O-CG 3.39Å; A61-L65 PolarHBondContact O-N 3.13Å; V62-L65 PolarHBondContact O-N 2.91Å; L65-S67 PolarHBondContact O-N 3.38Å; L65-G68 PolarHBondContact O-N 3.26Å; L65-K69 WeakPolarHBondContact CA-O 3.39Å; L65-K69 PolarHBondContact N-O 3.49Å; L65-P71 HydrophobicContact CD2-CG 4.45Å; L65-P71 HydrophobicContact CG-CG 4.27Å; L65-L156 HydrophobicContact CD1-CD2 3.75Å
66	L	94.3	Very high	94	Very high	31 Å²	31	42.3 Å²	42.3	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-21.9	175.5	-68.8	171.1	0	0	0	112.6	M26 L28 V62 D64 G68 M154 L162 Y169 L172	M26-L66 HydrophobicContact CE-CD2 4.13Å; L28-L66 HydrophobicContact CD1-CD2 4.33Å; V62-L66 HydrophobicContact CG1-CD1 3.85Å; V62-L66 HydrophobicContact CG1-CG 4.35Å; V62-L66 WeakPolarHBondContact O-CB 3.39Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.24Å; V62-L66 PolarHBondContact O-N 2.99Å; D64-L66 PolarHBondContact O-N 2.65Å; L66-G68 VanDerWaalsContact C-N 3.3Å; L66-M154 HydrophobicContact CD1-CE 3.6Å; L66-M154 HydrophobicContact CD1-SD 3.76Å; L66-L162 HydrophobicContact CD1-CD1 4.02Å; L66-L162 HydrophobicContact CD1-CD2 4.3Å; L66-L162 HydrophobicContact CD2-CD2 4.33Å; L66-Y169 HydrophobicContact CD1-CD2 4.16Å; L66-Y169 HydrophobicContact CD2-CD2 4.07Å; L66-Y169 HydrophobicContact CD2-CE2 4.09Å; L66-L172 HydrophobicContact CB-CD2 3.57Å; L66-L172 HydrophobicContact CD1-CD2 4.16Å
67	S	91.6	Very high	94	Very high	42 Å²	42	41.5 Å²	41.5	29%	0.294	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.8	173.3	-57	0	0	0	0	113.4	R63 D64 L65 K69	R63-S67 WeakPolarHBondContact O-CB 3.39Å; R63-S67 PolarHBondContact O-N 2.99Å; R63-S67 PolarHBondContact O-OG 3.37Å; D64-S67 CarbonylContact O-C 3.21Å; D64-S67 WeakPolarHBondContact O-CA 3.48Å; D64-S67 WeakPolarHBondContact O-CB 3.32Å; D64-S67 PolarHBondContact O-N 3Å; L65-S67 PolarHBondContact O-N 3.38Å; S67-K69 VanDerWaalsContact C-N 3.35Å
68	G	91.4	Very high	94	Very high	42 Å²	42	41.5 Å²	41.5	43%	0.433	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	26.7	-178.6	0	0	0	0	0	113.8	D64 L65 L66	D64-G68 PolarHBondContact O-N 3.01Å; L65-G68 PolarHBondContact O-N 3.26Å; L66-G68 VanDerWaalsContact C-N 3.3Å
69	K	92.4	Very high	94.1	Very high	122 Å²	122	42.3 Å²	42.3	53%	0.53	22%	0.223	S	C	.	.			trans	-118.2	139.7	178.9	-63.4	-178.3	-179.6	-178.7	0	110.2	D64 L65 S67 P71	D64-K69 CarbonylContact C-O 3.53Å; D64-K69 HydrophobicContact CB-CB 4.41Å; D64-K69 PolarHBondContact O-N 3.02Å; D64-K69 VanDerWaalsContact O-O 3.1Å; L65-K69 WeakPolarHBondContact CA-O 3.39Å; L65-K69 PolarHBondContact N-O 3.49Å; S67-K69 VanDerWaalsContact C-N 3.35Å; K69-P71 WeakPolarHBondContact O-CD 3.44Å
70	R	92.8	Very high	94.2	Very high	152 Å²	152	42.2 Å²	42.2	57%	0.574	22%	0.222	S	C	*	.			trans	-73	123.8	169.4	-172.1	179.8	-174.3	-96.6	2.4	108.8	E32 S35 L36	E32-R70 HydrophobicContact CB-CB 4.35Å; S35-R70 VanDerWaalsContact OG-CD 3.26Å; S35-R70 WeakPolarHBondContact OG-CD 3.38Å; S35-R70 PolarHBondContact OG-NE 2.83Å; S35-R70 VanDerWaalsContact OG-NE 3.12Å; L36-R70 HydrophobicContact CD2-CG 4.21Å
71	P	93.4	Very high	94.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.019	22%	0.224	C	C	.	.			trans	-66.8	145.7	174	27.8	-34.4	0	0	0	111	L36 A61 D64 L65 K69 V74	L36-P71 HydrophobicContact CD1-CG 4.17Å; L36-P71 HydrophobicContact CD2-CG 4.14Å; A61-P71 HydrophobicContact CB-CB 3.93Å; A61-P71 HydrophobicContact CB-CG 4.06Å; D64-P71 HydrophobicContact CB-CB 4.39Å; L65-P71 HydrophobicContact CD2-CG 4.45Å; L65-P71 HydrophobicContact CG-CG 4.27Å; K69-P71 WeakPolarHBondContact O-CD 3.44Å; P71-V74 HydrophobicContact CB-CG2 4.27Å; P71-V74 HydrophobicContact CG-CG2 3.76Å
72	E	86.3	Confident	94.3	Very high	183 Å²	183	43.1 Å²	43.1	86%	0.855	22%	0.223	S	C	*	.	S	Bend	trans	-78.4	-48.7	174	-69	177.3	-179.1	0	0	110.6
73	D	87.5	Confident	94.1	Very high	135 Å²	135	48.9 Å²	48.9	72%	0.722	25%	0.25	S	S	*	.	S	Bend	trans	-111.6	133.6	175.4	-59.2	-49.4	0	0	0	109.4
74	V	93.8	Very high	94.2	Very high	32 Å²	32	52.1 Å²	52.1	19%	0.194	27%	0.266	C	S	.	.			trans	-115.5	110.7	179.6	-172.9	0	0	0	0	109.3	L36 I57 A61 P71 F76	L36-V74 HydrophobicContact CD1-CG2 4.33Å; L36-V74 HydrophobicContact CD2-CG2 4.14Å; I57-V74 HydrophobicContact CG1-CG1 4.18Å; I57-V74 HydrophobicContact CG2-CG1 3.81Å; A61-V74 HydrophobicContact CB-CG1 4.17Å; P71-V74 HydrophobicContact CB-CG2 4.27Å; P71-V74 HydrophobicContact CG-CG2 3.76Å; V74-F76 HydrophobicContact CB-CE2 3.99Å; V74-F76 HydrophobicContact CB-CZ 4.18Å; V74-F76 HydrophobicContact CG1-CD2 4.32Å; V74-F76 HydrophobicContact CG1-CE1 4.02Å; V74-F76 HydrophobicContact CG1-CE2 3.64Å; V74-F76 HydrophobicContact CG1-CZ 3.47Å; V74-F76 VanDerWaalsContact CG1-CZ 3.47Å
75	D	94.9	Very high	94.2	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.9	172	-61.3	-32.5	0	0	0	109.7	A58	A58-D75 PolarHBondContact N-O 3.27Å
76	F	97.6	Very high	94.1	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.8	172.5	-62	-88.2	0	0	0	110.8	L41 L55 R56 I57 V74 F116 E117 V118 T119 L158	L41-F76 HydrophobicContact CD1-CE1 3.58Å; L41-F76 HydrophobicContact CD1-CE2 4.41Å; L41-F76 HydrophobicContact CD1-CZ 3.45Å; L41-F76 VanDerWaalsContact CD1-CZ 3.45Å; L41-F76 HydrophobicContact CD2-CZ 4.41Å; L55-F76 HydrophobicContact CD1-CB 3.82Å; L55-F76 HydrophobicContact CD1-CD1 4.35Å; L55-F76 HydrophobicContact CD1-CG 4.37Å; L55-F76 HydrophobicContact CG-CD1 4.29Å; R56-F76 CarbonylContact O-C 3.57Å; R56-F76 WeakPolarHBondContact O-CA 3.26Å; I57-F76 HydrophobicContact CG1-CD1 4.15Å; I57-F76 HydrophobicContact CG1-CE1 3.71Å; V74-F76 HydrophobicContact CB-CE2 3.99Å; V74-F76 HydrophobicContact CB-CZ 4.18Å; V74-F76 HydrophobicContact CG1-CD2 4.32Å; V74-F76 HydrophobicContact CG1-CE1 4.02Å; V74-F76 HydrophobicContact CG1-CE2 3.64Å; V74-F76 HydrophobicContact CG1-CZ 3.47Å; V74-F76 VanDerWaalsContact CG1-CZ 3.47Å; F76-F116 AromaticContact CE2-CD1 3.81Å; F76-F116 HydrophobicContact CE2-CD1 3.81Å; F76-F116 HydrophobicContact CZ-CD1 4.29Å; F76-E117 PolarHBondContact N-O 2.86Å; F76-V118 HydrophobicContact CB-CB 4.4Å; F76-V118 HydrophobicContact CB-CG1 4.19Å; F76-V118 HydrophobicContact CB-CG2 4.13Å; F76-T119 PolarHBondContact O-N 3.06Å; F76-L158 HydrophobicContact CE1-CD2 4.43Å
77	A	98.1	Very high	94.2	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.1	171.9	0	0	0	0	0	110.2	R56 A58 T119 L121 W140 F155	R56-A77 PolarHBondContact N-O 3.4Å; R56-A77 PolarHBondContact O-N 2.7Å; A58-A77 HydrophobicContact CB-CB 3.84Å; A77-T119 CarbonylContact C-O 3.55Å; A77-T119 VanDerWaalsContact CA-O 3.26Å; A77-T119 WeakPolarHBondContact CA-O 3.47Å; A77-L121 HydrophobicContact CB-CD2 3.91Å; A77-W140 HydrophobicContact CB-CH2 4.1Å; A77-W140 HydrophobicContact CB-CZ3 3.71Å; A77-W140 WeakPolarHBondContact O-CH2 3.48Å; A77-F155 HydrophobicContact CB-CD1 4.24Å; A77-F155 HydrophobicContact CB-CE1 4.01Å
78	T	98.4	Very high	94.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.2	-177.8	-173.6	0	0	0	0	113.1	F48 E54 A80 M85 V118 T119 T120 L121	F48-T78 WeakPolarHBondContact CD1-OG1 3.29Å; F48-T78 HydrophobicContact CE1-CG2 3.93Å; F48-T78 WeakPolarHBondContact CE1-OG1 3.26Å; E54-T78 WeakPolarHBondContact O-CA 3.48Å; E54-T78 VanDerWaalsContact O-CB 3.24Å; E54-T78 WeakPolarHBondContact O-CB 3.22Å; E54-T78 PolarHBondContact O-OG1 3.05Å; T78-A80 VanDerWaalsContact C-N 3.28Å; T78-A80 HydrophobicContact CG2-CB 3.97Å; T78-A80 WeakPolarHBondContact CG2-O 3.2Å; T78-A80 PolarHBondContact OG1-N 3.42Å; T78-A80 VanDerWaalsContact OG1-N 3.15Å; T78-M85 HydrophobicContact CG2-CE 4.14Å; T78-M85 HydrophobicContact CG2-CG 4.49Å; T78-M85 HydrophobicContact CG2-SD 3.72Å; T78-V118 HydrophobicContact CG2-CG1 3.53Å; T78-T119 PolarHBondContact N-O 3.48Å; T78-T120 WeakPolarHBondContact O-CA 3.37Å; T78-L121 WeakPolarHBondContact O-CG 3.43Å; T78-L121 PolarHBondContact O-N 2.79Å
79	T	98.1	Very high	94.6	Very high	20 Å²	20	51 Å²	51	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-76.5	-12.9	169.2	56.3	0	0	0	0	113.3	E54 L121 T138 W140	E54-T79 HydrophobicContact CB-CG2 4.1Å; E54-T79 HydrophobicContact CG-CG2 4.46Å; E54-T79 PolarHBondContact N-OG1 3.15Å; E54-T79 VanDerWaalsContact N-OG1 3.13Å; E54-T79 PolarHBondContact O-N 2.95Å; T79-L121 HydrophobicContact CG2-CD1 3.98Å; T79-T138 HydrophobicContact CG2-CG2 4.35Å; T79-W140 HydrophobicContact CG2-CZ2 4.36Å
80	A	97.3	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-72.9	132.8	177	0	0	0	0	0	111.3	F48 F53 T78 E84 M85 T120	F48-A80 HydrophobicContact CE1-CB 4.18Å; F53-A80 HydrophobicContact CB-CB 3.95Å; F53-A80 HydrophobicContact CD1-CB 3.74Å; F53-A80 HydrophobicContact CD2-CB 3.76Å; F53-A80 HydrophobicContact CE1-CB 4.11Å; F53-A80 HydrophobicContact CE2-CB 4.14Å; F53-A80 HydrophobicContact CG-CB 3.55Å; F53-A80 HydrophobicContact CZ-CB 4.31Å; T78-A80 VanDerWaalsContact C-N 3.28Å; T78-A80 HydrophobicContact CG2-CB 3.97Å; T78-A80 WeakPolarHBondContact CG2-O 3.2Å; T78-A80 PolarHBondContact OG1-N 3.42Å; T78-A80 VanDerWaalsContact OG1-N 3.15Å; A80-E84 HydrophobicContact CB-CB 4.47Å; A80-M85 HydrophobicContact CB-CG 3.76Å; A80-T120 VanDerWaalsContact O-CG2 3.29Å; A80-T120 WeakPolarHBondContact O-CG2 3.36Å; A80-T120 PolarHBondContact O-OG1 3.09Å
81	T	95.6	Very high	94.7	Very high	39 Å²	39	49.9 Å²	49.9	24%	0.239	26%	0.256	C	S	.	.			trans	-68.8	162.1	172.3	60.2	0	0	0	0	112	E83 E84 M85	T81-E83 VanDerWaalsContact C-N 3.26Å; T81-E83 PolarHBondContact O-N 3.27Å; T81-E84 WeakPolarHBondContact CB-OE2 3.39Å; T81-E84 WeakPolarHBondContact CG2-OE2 3.44Å; T81-E84 PolarHBondContact N-OE2 3.34Å; T81-E84 PolarHBondContact O-N 3.4Å; T81-E84 WeakPolarHBondContact OG1-CB 3.28Å; T81-E84 WeakPolarHBondContact OG1-CG 3.33Å; T81-E84 PolarHBondContact OG1-N 3Å; T81-E84 PolarHBondContact OG1-OE2 2.92Å; T81-M85 WeakPolarHBondContact O-CG 3.04Å; T81-M85 PolarHBondContact O-N 3.4Å
82	P	94.4	Very high	94.8	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-38	177.6	-26.2	38.1	0	0	0	113.3	K86 I107 T120 F136	P82-K86 WeakPolarHBondContact O-CB 3.42Å; P82-K86 VanDerWaalsContact O-CG 3.23Å; P82-K86 WeakPolarHBondContact O-CG 3.41Å; P82-K86 PolarHBondContact O-N 3.34Å; P82-I107 HydrophobicContact CB-CD1 4.39Å; P82-I107 HydrophobicContact CB-CG1 4.32Å; P82-T120 VanDerWaalsContact CD-OG1 3.27Å; P82-T120 WeakPolarHBondContact CD-OG1 3.43Å; P82-F136 HydrophobicContact CG-CE1 4.36Å; P82-F136 HydrophobicContact CG-CE2 3.78Å; P82-F136 HydrophobicContact CG-CZ 3.61Å
83	E	93.5	Very high	95.2	Very high	121 Å²	121	46.7 Å²	46.7	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-65.8	-43.8	177.1	-70.3	65.6	-145.7	0	0	111.5	T81 K86 S87	T81-E83 VanDerWaalsContact C-N 3.26Å; T81-E83 PolarHBondContact O-N 3.27Å; E83-K86 PolarHBondContact O-N 3.25Å; E83-S87 WeakPolarHBondContact O-CB 3.37Å; E83-S87 PolarHBondContact O-N 2.96Å
84	E	96	Very high	95.5	Very high	78 Å²	78	41 Å²	41	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-44.6	175.3	-72.1	165.2	144.8	0	0	111.4	F53 A80 T81 K86 S87 M88	F53-E84 HydrophobicContact CE2-CB 4.13Å; F53-E84 HydrophobicContact CZ-CB 3.9Å; F53-E84 VanDerWaalsContact CZ-CD 3.45Å; F53-E84 HydrophobicContact CZ-CG 3.97Å; A80-E84 HydrophobicContact CB-CB 4.47Å; T81-E84 WeakPolarHBondContact CB-OE2 3.39Å; T81-E84 WeakPolarHBondContact CG2-OE2 3.44Å; T81-E84 PolarHBondContact N-OE2 3.34Å; T81-E84 PolarHBondContact O-N 3.4Å; T81-E84 WeakPolarHBondContact OG1-CB 3.28Å; T81-E84 WeakPolarHBondContact OG1-CG 3.33Å; T81-E84 PolarHBondContact OG1-N 3Å; T81-E84 PolarHBondContact OG1-OE2 2.92Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 2.93Å; E84-S87 PolarHBondContact O-N 3.26Å; E84-M88 WeakPolarHBondContact O-CB 3.33Å; E84-M88 PolarHBondContact O-N 2.94Å
85	M	95.8	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-45	174.7	-75.7	-166.6	-77.8	0	0	111.7	F48 T78 A80 T81 M88 F89 I107 V118 T120	F48-M85 HydrophobicContact CE1-CG 4.38Å; F48-M85 HydrophobicContact CE1-SD 4.47Å; F48-M85 HydrophobicContact CZ-CG 4.23Å; F48-M85 HydrophobicContact CZ-SD 4.12Å; T78-M85 HydrophobicContact CG2-CE 4.14Å; T78-M85 HydrophobicContact CG2-CG 4.49Å; T78-M85 HydrophobicContact CG2-SD 3.72Å; A80-M85 HydrophobicContact CB-CG 3.76Å; T81-M85 WeakPolarHBondContact O-CG 3.04Å; T81-M85 PolarHBondContact O-N 3.4Å; M85-M88 HydrophobicContact CG-CE 4.41Å; M85-M88 PolarHBondContact O-N 3.22Å; M85-F89 HydrophobicContact CB-CD2 4.27Å; M85-F89 HydrophobicContact CB-CE2 3.97Å; M85-F89 HydrophobicContact CG-CE2 4.43Å; M85-F89 WeakPolarHBondContact O-CB 3.41Å; M85-F89 WeakPolarHBondContact O-CD2 3.38Å; M85-F89 VanDerWaalsContact O-CG 3.31Å; M85-F89 WeakPolarHBondContact O-CG 3.38Å; M85-F89 PolarHBondContact O-N 3.32Å; M85-I107 HydrophobicContact CB-CG1 4.2Å; M85-I107 HydrophobicContact CE-CB 4.16Å; M85-I107 HydrophobicContact CE-CG1 3.81Å; M85-I107 HydrophobicContact SD-CB 4.26Å; M85-I107 HydrophobicContact SD-CG1 4.42Å; M85-V118 HydrophobicContact SD-CB 3.9Å; M85-V118 HydrophobicContact SD-CG1 3.68Å; M85-T120 WeakPolarHBondContact CE-OG1 3.46Å
86	K	94.2	Very high	95.4	Very high	47 Å²	47	46.5 Å²	46.5	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-50	176.8	-77.5	170.2	179.2	176.8	0	111.7	P82 E83 E84 M88 F89 Q90 M96 E102 I107	P82-K86 WeakPolarHBondContact O-CB 3.42Å; P82-K86 VanDerWaalsContact O-CG 3.23Å; P82-K86 WeakPolarHBondContact O-CG 3.41Å; P82-K86 PolarHBondContact O-N 3.34Å; E83-K86 PolarHBondContact O-N 3.25Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 2.93Å; K86-M88 VanDerWaalsContact C-N 3.35Å; K86-M88 PolarHBondContact O-N 3.06Å; K86-F89 PolarHBondContact O-N 2.81Å; K86-Q90 VanDerWaalsContact O-CB 3.27Å; K86-Q90 WeakPolarHBondContact O-CB 3.34Å; K86-Q90 WeakPolarHBondContact O-CG 3.49Å; K86-Q90 PolarHBondContact O-N 2.91Å; K86-M96 HydrophobicContact CB-CE 4.24Å; K86-M96 HydrophobicContact CB-SD 4.22Å; K86-M96 HydrophobicContact CG-CE 4.13Å; K86-M96 HydrophobicContact CG-SD 3.86Å; K86-E102 WeakPolarHBondContact CE-OE1 3.34Å; K86-E102 WeakPolarHBondContact CE-OE2 3.39Å; K86-E102 IonicContact NZ-OE1 2.84Å; K86-E102 PolarHBondContact NZ-OE1 3.36Å; K86-E102 IonicContact NZ-OE2 3.04Å; K86-E102 PolarHBondContact NZ-OE2 2.87Å; K86-I107 HydrophobicContact CD-CD1 4.41Å; K86-I107 HydrophobicContact CG-CD1 4.02Å
87	S	94.9	Very high	95	Very high	58 Å²	58	48.2 Å²	48.2	41%	0.406	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-47.2	178.3	-177.4	0	0	0	0	111.2	E83 E84 Q90 N91	E83-S87 WeakPolarHBondContact O-CB 3.37Å; E83-S87 PolarHBondContact O-N 2.96Å; E84-S87 PolarHBondContact O-N 3.26Å; S87-Q90 PolarHBondContact O-N 2.62Å; S87-N91 WeakPolarHBondContact O-CB 3.21Å; S87-N91 PolarHBondContact O-N 2.97Å; S87-N91 PolarHBondContact O-ND2 2.62Å; S87-N91 VanDerWaalsContact O-ND2 3.08Å; S87-N91 PolarHBondContact OG-ND2 3.44Å
88	M	95.6	Very high	93.6	Very high	3 Å²	3	54 Å²	54	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-49.7	179.1	177.3	172.6	66.7	0	0	112.3	I47 F48 H51 F53 E84 M85 K86 A92	I47-M88 HydrophobicContact CG2-CE 4.14Å; I47-M88 HydrophobicContact CG2-CG 3.37Å; I47-M88 HydrophobicContact CG2-SD 3.5Å; I47-M88 VanDerWaalsContact CG2-SD 3.5Å; F48-M88 HydrophobicContact CD1-CE 3.99Å; F48-M88 HydrophobicContact CD2-CE 3.9Å; F48-M88 HydrophobicContact CE1-CE 3.69Å; F48-M88 HydrophobicContact CE2-CE 3.64Å; F48-M88 HydrophobicContact CG-CE 4.08Å; F48-M88 HydrophobicContact CZ-CE 3.51Å; H51-M88 HydrophobicContact CB-SD 3.74Å; F53-M88 HydrophobicContact CD2-SD 4.3Å; E84-M88 WeakPolarHBondContact O-CB 3.33Å; E84-M88 PolarHBondContact O-N 2.94Å; M85-M88 HydrophobicContact CG-CE 4.41Å; M85-M88 PolarHBondContact O-N 3.22Å; K86-M88 VanDerWaalsContact C-N 3.35Å; K86-M88 PolarHBondContact O-N 3.06Å; M88-A92 WeakPolarHBondContact O-CB 3.49Å; M88-A92 PolarHBondContact O-N 2.58Å
89	F	95.7	Very high	91.9	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-38.7	179.4	-65.6	-43.8	0	0	0	112.4	I44 F48 M85 K86 A92 G93 I94 M96 I107 A109	I44-F89 HydrophobicContact CD1-CE1 3.93Å; F48-F89 AromaticContact CE2-CE1 3.91Å; F48-F89 HydrophobicContact CE2-CE1 3.91Å; F48-F89 AromaticContact CE2-CZ 3.63Å; F48-F89 HydrophobicContact CE2-CZ 3.63Å; F48-F89 AromaticContact CZ-CZ 3.88Å; F48-F89 HydrophobicContact CZ-CZ 3.88Å; M85-F89 HydrophobicContact CB-CD2 4.27Å; M85-F89 HydrophobicContact CB-CE2 3.97Å; M85-F89 HydrophobicContact CG-CE2 4.43Å; M85-F89 WeakPolarHBondContact O-CB 3.41Å; M85-F89 WeakPolarHBondContact O-CD2 3.38Å; M85-F89 VanDerWaalsContact O-CG 3.31Å; M85-F89 WeakPolarHBondContact O-CG 3.38Å; M85-F89 PolarHBondContact O-N 3.32Å; K86-F89 PolarHBondContact O-N 2.81Å; F89-A92 CarbonylContact O-C 3.37Å; F89-A92 PolarHBondContact O-N 3.38Å; F89-G93 PolarHBondContact O-N 3.02Å; F89-G93 VanDerWaalsContact O-N 3.12Å; F89-I94 HydrophobicContact CB-CB 4.12Å; F89-I94 HydrophobicContact CB-CG2 4.39Å; F89-I94 HydrophobicContact CD1-CB 4.29Å; F89-I94 HydrophobicContact CD1-CD1 4.28Å; F89-I94 HydrophobicContact CD1-CG2 4.2Å; F89-I94 HydrophobicContact CG-CG2 4.45Å; F89-I94 PolarHBondContact O-N 2.86Å; F89-M96 HydrophobicContact CB-CG 3.98Å; F89-M96 HydrophobicContact CB-SD 3.95Å; F89-M96 HydrophobicContact CD2-CG 4.05Å; F89-M96 HydrophobicContact CD2-SD 3.92Å; F89-M96 HydrophobicContact CG-CG 4.39Å; F89-M96 HydrophobicContact CG-SD 4.44Å; F89-I107 HydrophobicContact CD2-CG2 3.97Å; F89-I107 HydrophobicContact CE2-CG2 3.85Å; F89-A109 HydrophobicContact CD1-CB 4.3Å; F89-A109 HydrophobicContact CD2-CB 4.2Å; F89-A109 HydrophobicContact CE1-CB 3.97Å; F89-A109 HydrophobicContact CE2-CB 3.87Å; F89-A109 HydrophobicContact CG-CB 4.42Å; F89-A109 HydrophobicContact CZ-CB 3.74Å
90	Q	94.5	Very high	90.4	Very high	126 Å²	126	67.2 Å²	67.2	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-61.9	-46.2	175.5	-75.2	170.8	-4.2	0	0	111.8	K86 S87 A92 G93 M96	K86-Q90 VanDerWaalsContact O-CB 3.27Å; K86-Q90 WeakPolarHBondContact O-CB 3.34Å; K86-Q90 WeakPolarHBondContact O-CG 3.49Å; K86-Q90 PolarHBondContact O-N 2.91Å; S87-Q90 PolarHBondContact O-N 2.62Å; Q90-A92 PolarHBondContact O-N 3.03Å; Q90-G93 PolarHBondContact O-N 2.92Å; Q90-M96 HydrophobicContact CG-CE 3.67Å
91	N	94.1	Very high	89.2	Confident	124 Å²	124	68.1 Å²	68.1	66%	0.663	36%	0.362	S	S	*	.	H	α-helix	trans	-65.6	-29.7	178.2	-68.3	-26.2	0	0	0	112.4	S87 G93	S87-N91 WeakPolarHBondContact O-CB 3.21Å; S87-N91 PolarHBondContact O-N 2.97Å; S87-N91 PolarHBondContact O-ND2 2.62Å; S87-N91 VanDerWaalsContact O-ND2 3.08Å; S87-N91 PolarHBondContact OG-ND2 3.44Å; N91-G93 VanDerWaalsContact C-N 3.3Å
92	A	93.9	Very high	88.2	Confident	50 Å²	50	69.1 Å²	69.1	41%	0.413	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2	174.3	0	0	0	0	0	113.7	I47 M88 F89 Q90 I94	I47-A92 HydrophobicContact CD1-CB 3.87Å; M88-A92 WeakPolarHBondContact O-CB 3.49Å; M88-A92 PolarHBondContact O-N 2.58Å; F89-A92 CarbonylContact O-C 3.37Å; F89-A92 PolarHBondContact O-N 3.38Å; Q90-A92 PolarHBondContact O-N 3.03Å; A92-I94 HydrophobicContact CB-CD1 4.38Å; A92-I94 HydrophobicContact CB-CG1 4.08Å; A92-I94 PolarHBondContact O-N 3.02Å
93	G	94.4	Very high	87.4	Confident	70 Å²	70	77.6 Å²	77.6	72%	0.722	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	20.2	-176.2	0	0	0	0	0	114	F89 Q90 N91	F89-G93 PolarHBondContact O-N 3.02Å; F89-G93 VanDerWaalsContact O-N 3.12Å; Q90-G93 PolarHBondContact O-N 2.92Å; N91-G93 VanDerWaalsContact C-N 3.3Å
94	I	94.6	Very high	86.7	Confident	15 Å²	15	75.3 Å²	75.3	8%	0.077	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-85.2	130.1	179.8	-66.1	-169.5	0	0	0	110.1	I44 I47 F89 A92 M96 A109 L111	I44-I94 HydrophobicContact CD1-CD1 4.13Å; I47-I94 HydrophobicContact CD1-CD1 3.14Å; I47-I94 HydrophobicContact CD1-CG1 4.22Å; F89-I94 HydrophobicContact CB-CB 4.12Å; F89-I94 HydrophobicContact CB-CG2 4.39Å; F89-I94 HydrophobicContact CD1-CB 4.29Å; F89-I94 HydrophobicContact CD1-CD1 4.28Å; F89-I94 HydrophobicContact CD1-CG2 4.2Å; F89-I94 HydrophobicContact CG-CG2 4.45Å; F89-I94 PolarHBondContact O-N 2.86Å; A92-I94 HydrophobicContact CB-CD1 4.38Å; A92-I94 HydrophobicContact CB-CG1 4.08Å; A92-I94 PolarHBondContact O-N 3.02Å; I94-M96 PolarHBondContact O-N 2.84Å; I94-A109 HydrophobicContact CG2-CB 4.09Å; I94-L111 HydrophobicContact CD1-CD1 4.07Å; I94-L111 HydrophobicContact CD1-CD2 4.05Å; I94-L111 HydrophobicContact CD1-CG 4.47Å; I94-L111 HydrophobicContact CG1-CD1 4.25Å
95	R	93.8	Very high	86.3	Confident	177 Å²	177	71.6 Å²	71.6	67%	0.668	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.6	176.4	-176.8	177.8	178	-178.9	0.7	110.1	R110	R95-R110 PolarHBondContact O-N 3.27Å
96	M	93.5	Very high	86.2	Confident	36 Å²	36	72.4 Å²	72.4	18%	0.177	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	148.2	168.7	-63.1	176.2	-70.6	0	0	110.7	K86 F89 Q90 I94 I107 T108	K86-M96 HydrophobicContact CB-CE 4.24Å; K86-M96 HydrophobicContact CB-SD 4.22Å; K86-M96 HydrophobicContact CG-CE 4.13Å; K86-M96 HydrophobicContact CG-SD 3.86Å; F89-M96 HydrophobicContact CB-CG 3.98Å; F89-M96 HydrophobicContact CB-SD 3.95Å; F89-M96 HydrophobicContact CD2-CG 4.05Å; F89-M96 HydrophobicContact CD2-SD 3.92Å; F89-M96 HydrophobicContact CG-CG 4.39Å; F89-M96 HydrophobicContact CG-SD 4.44Å; Q90-M96 HydrophobicContact CG-CE 3.67Å; I94-M96 PolarHBondContact O-N 2.84Å; M96-I107 HydrophobicContact CG-CG2 4.2Å; M96-I107 HydrophobicContact SD-CG2 3.94Å; M96-T108 CarbonylContact C-O 3.59Å; M96-T108 WeakPolarHBondContact CA-O 3.43Å
97	I	88.7	Confident	86.2	Confident	43 Å²	43	70.4 Å²	70.4	22%	0.221	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.8	175.2	-54.7	177.2	0	0	0	108.2	N99 T108 R110 N115	I97-N99 WeakPolarHBondContact CG2-OD1 3.47Å; I97-N99 PolarHBondContact O-N 3.15Å; I97-N99 VanDerWaalsContact O-N 3.14Å; I97-T108 HydrophobicContact CB-CG2 4.31Å; I97-T108 HydrophobicContact CD1-CG2 4.36Å; I97-T108 PolarHBondContact N-O 3.1Å; I97-R110 HydrophobicContact CD1-CB 4.18Å; I97-R110 HydrophobicContact CG1-CB 4.34Å; I97-N115 WeakPolarHBondContact CD1-OD1 3.27Å
98	N	69.5	Low	86.2	Confident	123 Å²	123	68.1 Å²	68.1	66%	0.658	35%	0.352	S	S	*	.			trans	-82.2	95.2	-178.1	-69.5	8.2	0	0	0	110.5
99	N	62.2	Low	86.2	Confident	105 Å²	105	68 Å²	68	56%	0.561	35%	0.351	S	S	*	.			trans	-99.9	25.5	-178.8	-77.8	-9.7	0	0	0	114.4	I97 G101	I97-N99 WeakPolarHBondContact CG2-OD1 3.47Å; I97-N99 PolarHBondContact O-N 3.15Å; I97-N99 VanDerWaalsContact O-N 3.14Å; N99-G101 PolarHBondContact O-N 3.42Å
100	K	66.9	Low	86.2	Confident	193 Å²	193	72.3 Å²	72.3	84%	0.839	37%	0.368	S	S	*	.	S	Bend	trans	57.4	-1.5	-173.6	-60.8	179.4	177.9	177.9	0	115.3	E102	K100-E102 VanDerWaalsContact C-N 3.26Å; K100-E102 PolarHBondContact O-N 3.13Å
101	G	70.4	Confident	86.2	Confident	19 Å²	19	68 Å²	68	20%	0.196	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-74.2	-9.3	-179.2	0	0	0	0	0	115.1	N99 K103 H104 G105 T106	N99-G101 PolarHBondContact O-N 3.42Å; G101-K103 PolarHBondContact O-N 2.64Å; G101-H104 PolarHBondContact O-N 2.93Å; G101-G105 PolarHBondContact O-N 2.74Å; G101-T106 CarbonylContact C-O 3.58Å; G101-T106 PolarHBondContact O-N 3.23Å; G101-T106 VanDerWaalsContact O-N 3.16Å
102	E	76.4	Confident	86.2	Confident	60 Å²	60	67.6 Å²	67.6	28%	0.28	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-58.3	-36.2	-177.1	-52.6	-171.2	158.7	0	0	112.6	K86 K100 H104 G105 T106 I107	K86-E102 WeakPolarHBondContact CE-OE1 3.34Å; K86-E102 WeakPolarHBondContact CE-OE2 3.39Å; K86-E102 IonicContact NZ-OE1 2.84Å; K86-E102 PolarHBondContact NZ-OE1 3.36Å; K86-E102 IonicContact NZ-OE2 3.04Å; K86-E102 PolarHBondContact NZ-OE2 2.87Å; K100-E102 VanDerWaalsContact C-N 3.26Å; K100-E102 PolarHBondContact O-N 3.13Å; E102-H104 PolarHBondContact O-N 3.32Å; E102-H104 VanDerWaalsContact O-N 3.11Å; E102-G105 PolarHBondContact O-N 3.27Å; E102-T106 WeakPolarHBondContact CA-O 3.45Å; E102-T106 PolarHBondContact N-O 3.09Å; E102-I107 HydrophobicContact CG-CD1 3.91Å
103	K	76.2	Confident	86	Confident	182 Å²	182	71.8 Å²	71.8	79%	0.791	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-60.3	-21.3	176.7	-70	-170	175.7	-170.2	0	113.5	G101	G101-K103 PolarHBondContact O-N 2.64Å
104	H	79.5	Confident	86	Confident	72 Å²	72	72.2 Å²	72.2	33%	0.333	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-107	10.7	178.5	-56.1	-62.5	0	0	0	112	G101 E102 R122	G101-H104 PolarHBondContact O-N 2.93Å; E102-H104 PolarHBondContact O-N 3.32Å; E102-H104 VanDerWaalsContact O-N 3.11Å; H104-R122 PolarHBondContact O-NH1 2.89Å
105	G	88.2	Confident	86	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	10.2	176.7	0	0	0	0	0	115.4	G101 E102 T119 T120	G101-G105 PolarHBondContact O-N 2.74Å; E102-G105 PolarHBondContact O-N 3.27Å; G105-T119 WeakPolarHBondContact O-CA 3.31Å; G105-T120 PolarHBondContact O-N 3.32Å; G105-T120 PolarHBondContact O-OG1 3.1Å
106	T	92.8	Very high	86	Confident	18 Å²	18	68 Å²	68	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.7	-174.9	-56.4	0	0	0	0	111.9	G101 E102 E117 V118 T119	G101-T106 CarbonylContact C-O 3.58Å; G101-T106 PolarHBondContact O-N 3.23Å; G101-T106 VanDerWaalsContact O-N 3.16Å; E102-T106 WeakPolarHBondContact CA-O 3.45Å; E102-T106 PolarHBondContact N-O 3.09Å; T106-E117 HydrophobicContact CG2-CG 3.31Å; T106-E117 WeakPolarHBondContact CG2-OE1 3.42Å; T106-V118 WeakPolarHBondContact CA-O 3.47Å; T106-T119 PolarHBondContact OG1-OG1 2.89Å
107	I	94.7	Very high	86.1	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.3	172.9	-61.1	-65.5	0	0	0	108.9	P82 M85 K86 F89 M96 E102 V118	P82-I107 HydrophobicContact CB-CD1 4.39Å; P82-I107 HydrophobicContact CB-CG1 4.32Å; M85-I107 HydrophobicContact CB-CG1 4.2Å; M85-I107 HydrophobicContact CE-CB 4.16Å; M85-I107 HydrophobicContact CE-CG1 3.81Å; M85-I107 HydrophobicContact SD-CB 4.26Å; M85-I107 HydrophobicContact SD-CG1 4.42Å; K86-I107 HydrophobicContact CD-CD1 4.41Å; K86-I107 HydrophobicContact CG-CD1 4.02Å; F89-I107 HydrophobicContact CD2-CG2 3.97Å; F89-I107 HydrophobicContact CE2-CG2 3.85Å; M96-I107 HydrophobicContact CG-CG2 4.2Å; M96-I107 HydrophobicContact SD-CG2 3.94Å; E102-I107 HydrophobicContact CG-CD1 3.91Å; I107-V118 PolarHBondContact N-O 2.91Å; I107-V118 PolarHBondContact O-N 3.29Å
108	T	95.2	Very high	86.5	Confident	9 Å²	9	68.1 Å²	68.1	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	109.4	173.9	-51	0	0	0	0	109.7	M96 I97 N115 F116	M96-T108 CarbonylContact C-O 3.59Å; M96-T108 WeakPolarHBondContact CA-O 3.43Å; I97-T108 HydrophobicContact CB-CG2 4.31Å; I97-T108 HydrophobicContact CD1-CG2 4.36Å; I97-T108 PolarHBondContact N-O 3.1Å; T108-N115 HydrophobicContact CG2-CB 3.99Å; T108-F116 CarbonylContact C-O 3.44Å; T108-F116 VanDerWaalsContact CA-O 3.3Å; T108-F116 WeakPolarHBondContact CA-O 3.41Å
109	A	95	Very high	87.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.6	173.8	0	0	0	0	0	110.5	I44 F89 I94 N115 F116	I44-A109 HydrophobicContact CD1-CB 3.93Å; F89-A109 HydrophobicContact CD1-CB 4.3Å; F89-A109 HydrophobicContact CD2-CB 4.2Å; F89-A109 HydrophobicContact CE1-CB 3.97Å; F89-A109 HydrophobicContact CE2-CB 3.87Å; F89-A109 HydrophobicContact CG-CB 4.42Å; F89-A109 HydrophobicContact CZ-CB 3.74Å; I94-A109 HydrophobicContact CG2-CB 4.09Å; A109-N115 CarbonylContact O-C 3.52Å; A109-N115 WeakPolarHBondContact O-CA 3.44Å; A109-F116 PolarHBondContact N-O 3.31Å; A109-F116 PolarHBondContact O-N 3.01Å
110	R	95.3	Very high	89.4	Confident	91 Å²	91	58.3 Å²	58.3	34%	0.343	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.7	174.6	-174.7	174.9	-179.6	135.5	-0.3	110.8	R95 I97 N113 E114 N115	R95-R110 PolarHBondContact O-N 3.27Å; I97-R110 HydrophobicContact CD1-CB 4.18Å; I97-R110 HydrophobicContact CG1-CB 4.34Å; R110-N113 PolarHBondContact NH2-OD1 3.46Å; R110-E114 CarbonylContact C-O 3.42Å; R110-E114 VanDerWaalsContact CA-O 3.25Å; R110-E114 WeakPolarHBondContact CA-O 3.43Å; R110-E114 WeakPolarHBondContact CG-O 3.24Å; R110-N115 WeakPolarHBondContact CG-OD1 3.3Å
111	L	95.1	Very high	90.9	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.6	179.7	-171.9	63.5	0	0	0	109.4	I44 I94 N113 E114 F116	I44-L111 HydrophobicContact CD1-CB 4.29Å; I44-L111 HydrophobicContact CD1-CD2 4.22Å; I44-L111 HydrophobicContact CG1-CB 4.41Å; I44-L111 HydrophobicContact CG1-CD2 4.1Å; I94-L111 HydrophobicContact CD1-CD1 4.07Å; I94-L111 HydrophobicContact CD1-CD2 4.05Å; I94-L111 HydrophobicContact CD1-CG 4.47Å; I94-L111 HydrophobicContact CG1-CD1 4.25Å; L111-N113 PolarHBondContact O-N 2.86Å; L111-N113 VanDerWaalsContact O-N 3.16Å; L111-E114 PolarHBondContact N-O 3.23Å; L111-E114 PolarHBondContact O-N 3.43Å; L111-F116 HydrophobicContact CB-CE2 4.22Å
112	H	93.4	Very high	92	Very high	117 Å²	117	50.3 Å²	50.3	54%	0.542	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	38.8	-178	-67.4	-72.2	0	0	0	114.9	E114	H112-E114 PolarHBondContact O-N 2.96Å
113	N	91.1	Very high	92.7	Very high	137 Å²	137	49.7 Å²	49.7	73%	0.733	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	11.3	-175.2	-74.3	-34.3	0	0	0	116.1	R110 L111	R110-N113 PolarHBondContact NH2-OD1 3.46Å; L111-N113 PolarHBondContact O-N 2.86Å; L111-N113 VanDerWaalsContact O-N 3.16Å
114	E	93.6	Very high	93.1	Very high	80 Å²	80	42.8 Å²	42.8	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148.1	174	-65.4	176.7	-165.7	0	0	110.2	S38 R110 L111 H112 F116	S38-E114 WeakPolarHBondContact CB-OE1 3.19Å; S38-E114 WeakPolarHBondContact CB-OE2 3.31Å; S38-E114 PolarHBondContact OG-OE1 3.23Å; S38-E114 PolarHBondContact OG-OE2 3.23Å; R110-E114 CarbonylContact C-O 3.42Å; R110-E114 VanDerWaalsContact CA-O 3.25Å; R110-E114 WeakPolarHBondContact CA-O 3.43Å; R110-E114 WeakPolarHBondContact CG-O 3.24Å; L111-E114 PolarHBondContact N-O 3.23Å; L111-E114 PolarHBondContact O-N 3.43Å; H112-E114 PolarHBondContact O-N 2.96Å; E114-F116 HydrophobicContact CB-CE2 3.66Å; E114-F116 HydrophobicContact CB-CZ 3.68Å; E114-F116 WeakPolarHBondContact OE2-CZ 3.38Å
115	N	94.3	Very high	93.1	Very high	91 Å²	91	43.6 Å²	43.6	49%	0.487	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135	176.5	-62	-26.1	0	0	0	109.1	I97 T108 A109 R110	I97-N115 WeakPolarHBondContact CD1-OD1 3.27Å; T108-N115 HydrophobicContact CG2-CB 3.99Å; A109-N115 CarbonylContact O-C 3.52Å; A109-N115 WeakPolarHBondContact O-CA 3.44Å; R110-N115 WeakPolarHBondContact CG-OD1 3.3Å
116	F	95.1	Very high	92.5	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111	-179.9	-59.5	-86.2	0	0	0	108.8	L41 I44 F76 T108 A109 L111 E114 V118	L41-F116 HydrophobicContact CB-CE1 3.91Å; L41-F116 HydrophobicContact CB-CZ 4.38Å; L41-F116 HydrophobicContact CD1-CD1 4.32Å; L41-F116 HydrophobicContact CD1-CE1 4.12Å; L41-F116 VanDerWaalsContact N-CZ 3.35Å; I44-F116 HydrophobicContact CD1-CD2 4.26Å; I44-F116 HydrophobicContact CG1-CB 4.47Å; I44-F116 HydrophobicContact CG1-CD1 4.44Å; I44-F116 HydrophobicContact CG1-CD2 3.69Å; I44-F116 HydrophobicContact CG1-CE2 4.02Å; I44-F116 HydrophobicContact CG1-CG 3.93Å; F76-F116 AromaticContact CE2-CD1 3.81Å; F76-F116 HydrophobicContact CE2-CD1 3.81Å; F76-F116 HydrophobicContact CZ-CD1 4.29Å; T108-F116 CarbonylContact C-O 3.44Å; T108-F116 VanDerWaalsContact CA-O 3.3Å; T108-F116 WeakPolarHBondContact CA-O 3.41Å; A109-F116 PolarHBondContact N-O 3.31Å; A109-F116 PolarHBondContact O-N 3.01Å; L111-F116 HydrophobicContact CB-CE2 4.22Å; E114-F116 HydrophobicContact CB-CE2 3.66Å; E114-F116 HydrophobicContact CB-CZ 3.68Å; E114-F116 WeakPolarHBondContact OE2-CZ 3.38Å; F116-V118 HydrophobicContact CB-CG2 4.44Å; F116-V118 PolarHBondContact O-N 3.33Å
117	E	95.6	Very high	91.6	Very high	83 Å²	83	51.6 Å²	51.6	39%	0.388	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108.5	175.7	-169.9	168	150	0	0	109.5	F76 T106	F76-E117 PolarHBondContact N-O 2.86Å; T106-E117 HydrophobicContact CG2-CG 3.31Å; T106-E117 WeakPolarHBondContact CG2-OE1 3.42Å
118	V	96.4	Very high	90.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123	-177.7	-167.5	0	0	0	0	109.3	F48 L55 F76 T78 M85 T106 I107 F116	F48-V118 HydrophobicContact CE1-CG1 4.29Å; F48-V118 HydrophobicContact CZ-CG1 3.82Å; F48-V118 HydrophobicContact CZ-CG2 4.4Å; L55-V118 HydrophobicContact CD1-CG1 3.76Å; F76-V118 HydrophobicContact CB-CB 4.4Å; F76-V118 HydrophobicContact CB-CG1 4.19Å; F76-V118 HydrophobicContact CB-CG2 4.13Å; T78-V118 HydrophobicContact CG2-CG1 3.53Å; M85-V118 HydrophobicContact SD-CB 3.9Å; M85-V118 HydrophobicContact SD-CG1 3.68Å; T106-V118 WeakPolarHBondContact CA-O 3.47Å; I107-V118 PolarHBondContact N-O 2.91Å; I107-V118 PolarHBondContact O-N 3.29Å; F116-V118 HydrophobicContact CB-CG2 4.44Å; F116-V118 PolarHBondContact O-N 3.33Å
119	T	96.2	Very high	89.2	Confident	21 Å²	21	56.3 Å²	56.3	13%	0.129	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.4	-177.2	-59.7	0	0	0	0	110.9	F76 A77 T78 G105 T106 R122	F76-T119 PolarHBondContact O-N 3.06Å; A77-T119 CarbonylContact C-O 3.55Å; A77-T119 VanDerWaalsContact CA-O 3.26Å; A77-T119 WeakPolarHBondContact CA-O 3.47Å; T78-T119 PolarHBondContact N-O 3.48Å; G105-T119 WeakPolarHBondContact O-CA 3.31Å; T106-T119 PolarHBondContact OG1-OG1 2.89Å; T119-R122 VanDerWaalsContact CG2-NH1 3.3Å
120	T	96.9	Very high	88.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.4	173.5	-48.2	0	0	0	0	109.6	T78 A80 P82 M85 G105 R122 F136	T78-T120 WeakPolarHBondContact O-CA 3.37Å; A80-T120 VanDerWaalsContact O-CG2 3.29Å; A80-T120 WeakPolarHBondContact O-CG2 3.36Å; A80-T120 PolarHBondContact O-OG1 3.09Å; P82-T120 VanDerWaalsContact CD-OG1 3.27Å; P82-T120 WeakPolarHBondContact CD-OG1 3.43Å; M85-T120 WeakPolarHBondContact CE-OG1 3.46Å; G105-T120 PolarHBondContact O-N 3.32Å; G105-T120 PolarHBondContact O-OG1 3.1Å; T120-R122 PolarHBondContact O-N 2.96Å; T120-F136 HydrophobicContact CG2-CB 3.87Å; T120-F136 HydrophobicContact CG2-CD1 3.53Å; T120-F136 HydrophobicContact CG2-CE1 4.24Å; T120-F136 HydrophobicContact CG2-CG 3.72Å
121	L	97.3	Very high	87.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.324	C	S	.	.			trans	-56.9	137.9	171.1	-60.9	174.2	0	0	0	110	A77 T78 T79 F136 T137 W140 D143 F155	A77-L121 HydrophobicContact CB-CD2 3.91Å; T78-L121 WeakPolarHBondContact O-CG 3.43Å; T78-L121 PolarHBondContact O-N 2.79Å; T79-L121 HydrophobicContact CG2-CD1 3.98Å; L121-F136 WeakPolarHBondContact O-CA 3.49Å; L121-T137 HydrophobicContact CB-CG2 3.95Å; L121-T137 VanDerWaalsContact CB-O 3.31Å; L121-T137 WeakPolarHBondContact CB-O 3.42Å; L121-T137 PolarHBondContact O-N 3.25Å; L121-W140 HydrophobicContact CD1-CD2 3.64Å; L121-W140 HydrophobicContact CD1-CE3 4.04Å; L121-W140 HydrophobicContact CD1-CG 3.92Å; L121-W140 HydrophobicContact CD1-CZ2 4.18Å; L121-W140 HydrophobicContact CD1-CZ3 4.46Å; L121-W140 HydrophobicContact CD2-CD2 4.06Å; L121-W140 HydrophobicContact CD2-CE3 3.55Å; L121-W140 HydrophobicContact CD2-CH2 4.25Å; L121-W140 HydrophobicContact CD2-CZ3 3.67Å; L121-W140 HydrophobicContact CG-CD2 4.45Å; L121-W140 HydrophobicContact CG-CE3 4.37Å; L121-W140 HydrophobicContact CG-CZ3 4.49Å; L121-D143 HydrophobicContact CB-CB 4.08Å; L121-D143 HydrophobicContact CD2-CB 3.53Å; L121-D143 HydrophobicContact CG-CB 4.34Å; L121-F155 HydrophobicContact CD2-CE1 4.42Å; L121-F155 HydrophobicContact CD2-CZ 4.4Å
122	R	93.7	Very high	86	Confident	44 Å²	44	63.8 Å²	63.8	17%	0.166	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.6	-175.1	69.2	-167.5	-168.5	-127.9	-3.9	112.9	H104 T119 T120 D124 V134 E135 F136 D143 R146	H104-R122 PolarHBondContact O-NH1 2.89Å; T119-R122 VanDerWaalsContact CG2-NH1 3.3Å; T120-R122 PolarHBondContact O-N 2.96Å; R122-D124 IonicContact NE-OD1 2.92Å; R122-V134 HydrophobicContact CB-CB 4.23Å; R122-V134 HydrophobicContact CG-CB 4.41Å; R122-E135 CarbonylContact C-O 3.57Å; R122-E135 WeakPolarHBondContact CA-O 3.47Å; R122-F136 HydrophobicContact CB-CD1 4.09Å; R122-D143 PolarHBondContact N-OD1 3.36Å; R122-R146 VanDerWaalsContact CG-NE 3.3Å; R122-R146 WeakPolarHBondContact O-CD 3.34Å; R122-R146 PolarHBondContact O-NE 2.89Å
123	V	90.5	Very high	85.5	Confident	46 Å²	46	64.6 Å²	64.6	28%	0.279	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.8	168.2	-175.7	0	0	0	0	107.3	V134 E135 T137 K142	V123-V134 WeakPolarHBondContact O-CA 3.15Å; V123-E135 PolarHBondContact N-O 3.17Å; V123-E135 PolarHBondContact O-N 3.34Å; V123-T137 HydrophobicContact CG2-CG2 4.13Å; V123-K142 HydrophobicContact CG2-CB 3.85Å; V123-K142 HydrophobicContact CG2-CD 4.14Å
124	D	85.5	Confident	85.3	Confident	37 Å²	37	59.6 Å²	59.6	20%	0.198	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.6	175.7	-58.2	-30.2	0	0	0	107.7	R122 T127 A132 V134	R122-D124 IonicContact NE-OD1 2.92Å; D124-T127 HydrophobicContact CB-CG2 4.32Å; D124-A132 HydrophobicContact CB-CB 4.46Å; D124-V134 WeakPolarHBondContact OD1-CG1 3.44Å
125	V	80	Confident	85.2	Confident	89 Å²	89	62 Å²	62	54%	0.539	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-50	-177.8	179.5	0	0	0	0	110.2	E133 E135	V125-E133 PolarHBondContact N-O 2.99Å; V125-E135 HydrophobicContact CG2-CB 4.09Å
126	E	75	Confident	85.2	Confident	142 Å²	142	60.9 Å²	60.9	66%	0.664	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	135.9	168.5	-70.3	-171	171.9	0	0	108	A132 E133	E126-A132 CarbonylContact O-C 3.25Å; E126-A132 WeakPolarHBondContact O-CA 3.41Å; E126-E133 PolarHBondContact O-N 2.96Å
127	T	74.2	Confident	85.3	Confident	44 Å²	44	61.7 Å²	61.7	27%	0.27	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	136.4	-179.3	-172.2	0	0	0	0	111.6	D124 G129 H131 E189	D124-T127 HydrophobicContact CB-CG2 4.32Å; T127-G129 PolarHBondContact OG1-N 3.32Å; T127-H131 WeakPolarHBondContact CA-O 3.38Å; T127-E189 HydrophobicContact CG2-CB 4.09Å; T127-E189 HydrophobicContact CG2-CG 4.24Å
128	D	69.9	Low	85.3	Confident	91 Å²	91	62.5 Å²	62.5	49%	0.487	32%	0.322	S	S	.	.			trans	-102.9	10.2	163.2	72.4	8.1	0	0	0	111.6	R130 H131 E189	D128-R130 VanDerWaalsContact C-N 3.31Å; D128-R130 PolarHBondContact O-N 2.97Å; D128-R130 WeakPolarHBondContact OD1-CA 3.36Å; D128-R130 PolarHBondContact OD1-N 3.3Å; D128-H131 PolarHBondContact N-O 3.45Å; D128-H131 VanDerWaalsContact N-O 3.14Å; D128-H131 PolarHBondContact OD1-N 3.15Å; D128-H131 IonicContact OD1-ND1 3.21Å; D128-H131 IonicContact OD2-ND1 3.26Å; D128-H131 PolarHBondContact OD2-ND1 2.84Å; D128-E189 CarbonylContact C-O 2.96Å; D128-E189 VanDerWaalsContact C-O 3.25Å
129	G	69.6	Low	85.3	Confident	23 Å²	23	65.5 Å²	65.5	24%	0.237	34%	0.338	C	S	.	.	S	Bend	trans	87.9	-28.1	-175.6	0	0	0	0	0	115.1	T127 E189 D190 R233	T127-G129 PolarHBondContact OG1-N 3.32Å; G129-E189 WeakPolarHBondContact CA-O 3.38Å; G129-E189 PolarHBondContact N-O 3.38Å; G129-D190 VanDerWaalsContact CA-CB 3.49Å; G129-D190 VanDerWaalsContact CA-CG 3.49Å; G129-R233 PolarHBondContact O-NH2 3.38Å
130	R	71.2	Confident	85.4	Confident	143 Å²	143	65.2 Å²	65.2	54%	0.54	33%	0.334	S	S	.	.	S	Bend	trans	-100.8	-42.4	176.5	-176.9	175.8	-178.2	166.9	3	111.8	D128	D128-R130 VanDerWaalsContact C-N 3.31Å; D128-R130 PolarHBondContact O-N 2.97Å; D128-R130 WeakPolarHBondContact OD1-CA 3.36Å; D128-R130 PolarHBondContact OD1-N 3.3Å
131	H	74.4	Confident	85.4	Confident	114 Å²	114	68.4 Å²	68.4	53%	0.528	35%	0.349	S	S	.	.	S	Bend	trans	-111.9	120.1	175.9	-50.2	101.2	0	0	0	107	T127 D128	T127-H131 WeakPolarHBondContact CA-O 3.38Å; D128-H131 PolarHBondContact N-O 3.45Å; D128-H131 VanDerWaalsContact N-O 3.14Å; D128-H131 PolarHBondContact OD1-N 3.15Å; D128-H131 IonicContact OD1-ND1 3.21Å; D128-H131 IonicContact OD2-ND1 3.26Å; D128-H131 PolarHBondContact OD2-ND1 2.84Å
132	A	72.1	Confident	85.3	Confident	25 Å²	25	73.2 Å²	73.2	21%	0.207	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.9	172.1	0	0	0	0	0	108.5	D124 E126 V134	D124-A132 HydrophobicContact CB-CB 4.46Å; E126-A132 CarbonylContact O-C 3.25Å; E126-A132 WeakPolarHBondContact O-CA 3.41Å; A132-V134 HydrophobicContact CB-CG1 3.77Å
133	E	82.6	Confident	85.4	Confident	135 Å²	135	71.2 Å²	71.2	63%	0.631	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	124.2	157.3	-172.2	170.9	-177	0	0	107.1	V125 E126	V125-E133 PolarHBondContact N-O 2.99Å; E126-E133 PolarHBondContact O-N 2.96Å
134	V	87.5	Confident	85.6	Confident	31 Å²	31	69 Å²	69	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.3	-169.8	-57.4	0	0	0	0	110.6	R122 V123 D124 A132 F136	R122-V134 HydrophobicContact CB-CB 4.23Å; R122-V134 HydrophobicContact CG-CB 4.41Å; V123-V134 WeakPolarHBondContact O-CA 3.15Å; D124-V134 WeakPolarHBondContact OD1-CG1 3.44Å; A132-V134 HydrophobicContact CB-CG1 3.77Å; V134-F136 HydrophobicContact CG2-CE1 4.14Å
135	E	91.7	Very high	86	Confident	130 Å²	130	72 Å²	72	61%	0.607	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.9	169.7	-170.6	-177.4	168.2	0	0	108.7	R122 V123 V125	R122-E135 CarbonylContact C-O 3.57Å; R122-E135 WeakPolarHBondContact CA-O 3.47Å; V123-E135 PolarHBondContact N-O 3.17Å; V123-E135 PolarHBondContact O-N 3.34Å; V125-E135 HydrophobicContact CG2-CB 4.09Å
136	F	94.6	Very high	86.6	Confident	69 Å²	69	69.6 Å²	69.6	30%	0.303	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142	176.2	-61.2	-47.2	0	0	0	110.9	P82 T120 L121 R122 V134	P82-F136 HydrophobicContact CG-CE1 4.36Å; P82-F136 HydrophobicContact CG-CE2 3.78Å; P82-F136 HydrophobicContact CG-CZ 3.61Å; T120-F136 HydrophobicContact CG2-CB 3.87Å; T120-F136 HydrophobicContact CG2-CD1 3.53Å; T120-F136 HydrophobicContact CG2-CE1 4.24Å; T120-F136 HydrophobicContact CG2-CG 3.72Å; L121-F136 WeakPolarHBondContact O-CA 3.49Å; R122-F136 HydrophobicContact CB-CD1 4.09Å; V134-F136 HydrophobicContact CG2-CE1 4.14Å
137	T	95.6	Very high	87.4	Confident	28 Å²	28	64.8 Å²	64.8	17%	0.172	32%	0.319	C	S	.	.			trans	-134.8	166.1	-179.7	-166.6	0	0	0	0	110.5	L121 V123 D139 K142	L121-T137 HydrophobicContact CB-CG2 3.95Å; L121-T137 VanDerWaalsContact CB-O 3.31Å; L121-T137 WeakPolarHBondContact CB-O 3.42Å; L121-T137 PolarHBondContact O-N 3.25Å; V123-T137 HydrophobicContact CG2-CG2 4.13Å; T137-D139 HydrophobicContact CG2-CB 4.49Å; T137-D139 PolarHBondContact OG1-N 3.37Å; T137-K142 HydrophobicContact CG2-CB 4.41Å
138	T	96.5	Very high	88.4	Confident	99 Å²	99	63.2 Å²	63.2	61%	0.607	31%	0.309	S	S	*	.	S	Bend	trans	-108.6	2.7	167.4	56.7	0	0	0	0	111.6	T79 W140	T79-T138 HydrophobicContact CG2-CG2 4.35Å; T138-W140 PolarHBondContact O-N 2.86Å
139	D	97.3	Very high	89.7	Confident	64 Å²	64	58.9 Å²	58.9	34%	0.342	29%	0.286	S	S	.	.			trans	-89.1	104.8	179.7	-171.5	-20.3	0	0	0	111	T137 Q141 K142 D143	T137-D139 HydrophobicContact CG2-CB 4.49Å; T137-D139 PolarHBondContact OG1-N 3.37Å; D139-Q141 VanDerWaalsContact C-N 3.26Å; D139-Q141 PolarHBondContact O-N 3.16Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.37Å; D139-Q141 PolarHBondContact OD1-N 3.23Å; D139-K142 HydrophobicContact CB-CB 4.16Å; D139-K142 HydrophobicContact CB-CD 4Å; D139-K142 HydrophobicContact CB-CG 4.03Å; D139-K142 PolarHBondContact O-N 2.93Å; D139-K142 PolarHBondContact OD1-N 3.22Å; D139-D143 PolarHBondContact O-N 2.85Å
140	W	97.3	Very high	91	Very high	14 Å²	14	58.2 Å²	58.2	5%	0.053	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-33.7	177.5	-69.1	92.9	0	0	0	113.8	E54 R56 A77 T79 L121 T138 K142 D143 A144 F155 Y165	E54-W140 HydrophobicContact CB-CZ2 3.83Å; E54-W140 PolarHBondContact OE2-NE1 3.17Å; R56-W140 HydrophobicContact CB-CH2 3.54Å; R56-W140 HydrophobicContact CB-CZ2 4.39Å; R56-W140 HydrophobicContact CB-CZ3 3.77Å; R56-W140 VanDerWaalsContact CD-CH2 3.46Å; R56-W140 HydrophobicContact CG-CH2 3.4Å; R56-W140 VanDerWaalsContact CG-CH2 3.4Å; R56-W140 HydrophobicContact CG-CZ2 3.76Å; R56-W140 HydrophobicContact CG-CZ3 3.93Å; R56-W140 VanDerWaalsContact NH1-CD2 3.28Å; R56-W140 VanDerWaalsContact NH1-CG 3.33Å; A77-W140 HydrophobicContact CB-CH2 4.1Å; A77-W140 HydrophobicContact CB-CZ3 3.71Å; A77-W140 WeakPolarHBondContact O-CH2 3.48Å; T79-W140 HydrophobicContact CG2-CZ2 4.36Å; L121-W140 HydrophobicContact CD1-CD2 3.64Å; L121-W140 HydrophobicContact CD1-CE3 4.04Å; L121-W140 HydrophobicContact CD1-CG 3.92Å; L121-W140 HydrophobicContact CD1-CZ2 4.18Å; L121-W140 HydrophobicContact CD1-CZ3 4.46Å; L121-W140 HydrophobicContact CD2-CD2 4.06Å; L121-W140 HydrophobicContact CD2-CE3 3.55Å; L121-W140 HydrophobicContact CD2-CH2 4.25Å; L121-W140 HydrophobicContact CD2-CZ3 3.67Å; L121-W140 HydrophobicContact CG-CD2 4.45Å; L121-W140 HydrophobicContact CG-CE3 4.37Å; L121-W140 HydrophobicContact CG-CZ3 4.49Å; T138-W140 PolarHBondContact O-N 2.86Å; W140-K142 VanDerWaalsContact C-N 3.33Å; W140-D143 PolarHBondContact O-N 3.03Å; W140-A144 WeakPolarHBondContact O-CB 3.24Å; W140-A144 PolarHBondContact O-N 2.92Å; W140-F155 HydrophobicContact CB-CE2 4.38Å; W140-F155 HydrophobicContact CE3-CB 4.36Å; W140-F155 AromaticContact CE3-CD1 3.72Å; W140-F155 HydrophobicContact CE3-CD1 3.72Å; W140-F155 AromaticContact CE3-CD2 3.71Å; W140-F155 HydrophobicContact CE3-CD2 3.71Å; W140-F155 AromaticContact CE3-CE1 3.8Å; W140-F155 HydrophobicContact CE3-CE1 3.8Å; W140-F155 AromaticContact CE3-CE2 3.77Å; W140-F155 HydrophobicContact CE3-CE2 3.77Å; W140-F155 AromaticContact CE3-CG 3.67Å; W140-F155 HydrophobicContact CE3-CG 3.67Å; W140-F155 AromaticContact CE3-CZ 3.82Å; W140-F155 HydrophobicContact CE3-CZ 3.82Å; W140-F155 HydrophobicContact CZ3-CB 4.31Å; W140-F155 AromaticContact CZ3-CD1 3.53Å; W140-F155 HydrophobicContact CZ3-CD1 3.53Å; W140-F155 HydrophobicContact CZ3-CD2 4.33Å; W140-F155 AromaticContact CZ3-CE1 3.81Å; W140-F155 HydrophobicContact CZ3-CE1 3.81Å; W140-F155 AromaticContact CZ3-CG 3.81Å; W140-F155 HydrophobicContact CZ3-CG 3.81Å; W140-F155 HydrophobicContact CZ3-CZ 4.31Å; W140-F155 WeakPolarHBondContact O-CE2 3.47Å; W140-Y165 HydrophobicContact CB-CE2 3.97Å; W140-Y165 WeakPolarHBondContact CB-OH 3.41Å
141	Q	96.4	Very high	92.2	Very high	69 Å²	69	51.4 Å²	51.4	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-67.6	-39.8	179.8	-176.7	-178.6	-19.3	0	0	110.2	D139 A144 E145 Y165	D139-Q141 VanDerWaalsContact C-N 3.26Å; D139-Q141 PolarHBondContact O-N 3.16Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.37Å; D139-Q141 PolarHBondContact OD1-N 3.23Å; Q141-A144 PolarHBondContact O-N 2.92Å; Q141-E145 WeakPolarHBondContact O-CB 3.36Å; Q141-E145 PolarHBondContact O-N 3.08Å; Q141-Y165 HydrophobicContact CB-CD1 3.81Å; Q141-Y165 HydrophobicContact CB-CE1 4Å; Q141-Y165 HydrophobicContact CB-CG 4.15Å; Q141-Y165 HydrophobicContact CG-CD1 3.9Å; Q141-Y165 HydrophobicContact CG-CG 4.07Å
142	K	95.2	Very high	93.2	Very high	101 Å²	101	46.2 Å²	46.2	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-65.4	-39.8	176.3	-70	-175.2	-178	-176.4	0	112.4	V123 T137 D139 W140 A144 E145 R146	V123-K142 HydrophobicContact CG2-CB 3.85Å; V123-K142 HydrophobicContact CG2-CD 4.14Å; T137-K142 HydrophobicContact CG2-CB 4.41Å; D139-K142 HydrophobicContact CB-CB 4.16Å; D139-K142 HydrophobicContact CB-CD 4Å; D139-K142 HydrophobicContact CB-CG 4.03Å; D139-K142 PolarHBondContact O-N 2.93Å; D139-K142 PolarHBondContact OD1-N 3.22Å; W140-K142 VanDerWaalsContact C-N 3.33Å; K142-A144 VanDerWaalsContact C-N 3.34Å; K142-E145 WeakPolarHBondContact O-CB 3.35Å; K142-E145 PolarHBondContact O-N 3Å; K142-R146 PolarHBondContact O-N 3.36Å
143	D	95.9	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-38.5	173.3	-170.6	81.9	0	0	0	112	L121 R122 D139 W140 E145 R146 R147 F155	L121-D143 HydrophobicContact CB-CB 4.08Å; L121-D143 HydrophobicContact CD2-CB 3.53Å; L121-D143 HydrophobicContact CG-CB 4.34Å; R122-D143 PolarHBondContact N-OD1 3.36Å; D139-D143 PolarHBondContact O-N 2.85Å; W140-D143 PolarHBondContact O-N 3.03Å; D143-E145 VanDerWaalsContact C-N 3.3Å; D143-E145 PolarHBondContact O-N 3.12Å; D143-R146 WeakPolarHBondContact O-CG 3.46Å; D143-R146 IonicContact OD1-CZ 2.74Å; D143-R146 IonicContact OD1-NE 2.87Å; D143-R146 PolarHBondContact OD1-NE 3.47Å; D143-R146 IonicContact OD1-NH2 3.44Å; D143-R146 PolarHBondContact OD1-NH2 3.39Å; D143-R146 IonicContact OD2-NH2 2.77Å; D143-R146 PolarHBondContact OD2-NH2 3.29Å; D143-R147 WeakPolarHBondContact O-CG 3.48Å; D143-R147 IonicContact OD2-CZ 3.37Å; D143-R147 IonicContact OD2-NE 3.78Å; D143-R147 PolarHBondContact OD2-NE 3.33Å; D143-R147 IonicContact OD2-NH2 3.52Å; D143-R147 PolarHBondContact OD2-NH2 3.07Å; D143-F155 HydrophobicContact CB-CZ 4.16Å; D143-F155 WeakPolarHBondContact OD2-CZ 3.19Å
144	A	95.7	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-37	173.8	0	0	0	0	0	112.1	W140 Q141 K142 R146 R147 S153 F155 Y165 F166	W140-A144 WeakPolarHBondContact O-CB 3.24Å; W140-A144 PolarHBondContact O-N 2.92Å; Q141-A144 PolarHBondContact O-N 2.92Å; K142-A144 VanDerWaalsContact C-N 3.34Å; A144-R146 PolarHBondContact O-N 3.39Å; A144-R147 WeakPolarHBondContact O-CB 3.31Å; A144-R147 PolarHBondContact O-N 3.45Å; A144-S153 VanDerWaalsContact CB-O 3.27Å; A144-S153 WeakPolarHBondContact CB-O 3.17Å; A144-S153 WeakPolarHBondContact O-CB 3.44Å; A144-F155 HydrophobicContact CB-CE2 3.81Å; A144-F155 HydrophobicContact CB-CZ 4.31Å; A144-Y165 HydrophobicContact CB-CD2 3.7Å; A144-Y165 HydrophobicContact CB-CE2 4.45Å; A144-Y165 HydrophobicContact CB-CG 4.45Å; A144-F166 HydrophobicContact CB-CD2 3.93Å; A144-F166 HydrophobicContact CB-CE2 3.6Å
145	E	94.3	Very high	95.6	Very high	101 Å²	101	37.1 Å²	37.1	47%	0.472	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-40.3	-177.9	-166.5	161.2	-147	0	0	112	Q141 K142 D143 R147 F166 R186	Q141-E145 WeakPolarHBondContact O-CB 3.36Å; Q141-E145 PolarHBondContact O-N 3.08Å; K142-E145 WeakPolarHBondContact O-CB 3.35Å; K142-E145 PolarHBondContact O-N 3Å; D143-E145 VanDerWaalsContact C-N 3.3Å; D143-E145 PolarHBondContact O-N 3.12Å; E145-R147 PolarHBondContact O-N 2.84Å; E145-F166 HydrophobicContact CB-CE2 4.14Å; E145-F166 HydrophobicContact CB-CZ 3.71Å; E145-F166 HydrophobicContact CG-CZ 3.94Å; E145-R186 VanDerWaalsContact O-CZ 3.24Å; E145-R186 PolarHBondContact O-NH1 2.92Å; E145-R186 PolarHBondContact O-NH2 2.8Å; E145-R186 VanDerWaalsContact O-NH2 3.16Å
146	R	90.8	Very high	95.9	Very high	38 Å²	38	31 Å²	31	14%	0.143	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-4.9	177.3	66.8	158	-171.1	96.7	4.6	115	R122 K142 D143 A144 R186	R122-R146 VanDerWaalsContact CG-NE 3.3Å; R122-R146 WeakPolarHBondContact O-CD 3.34Å; R122-R146 PolarHBondContact O-NE 2.89Å; K142-R146 PolarHBondContact O-N 3.36Å; D143-R146 WeakPolarHBondContact O-CG 3.46Å; D143-R146 IonicContact OD1-CZ 2.74Å; D143-R146 IonicContact OD1-NE 2.87Å; D143-R146 PolarHBondContact OD1-NE 3.47Å; D143-R146 IonicContact OD1-NH2 3.44Å; D143-R146 PolarHBondContact OD1-NH2 3.39Å; D143-R146 IonicContact OD2-NH2 2.77Å; D143-R146 PolarHBondContact OD2-NH2 3.29Å; A144-R146 PolarHBondContact O-N 3.39Å; R146-R186 PolarHBondContact O-NH2 2.8Å
147	R	93.2	Very high	96	Very high	40 Å²	40	27.9 Å²	27.9	15%	0.151	14%	0.138	C	C	.	.	S	Bend	trans	-85.5	145.3	178.3	-67.4	170	-179.1	-95.3	-4.6	111.7	D143 A144 E145 N152 V180 R186	D143-R147 WeakPolarHBondContact O-CG 3.48Å; D143-R147 IonicContact OD2-CZ 3.37Å; D143-R147 IonicContact OD2-NE 3.78Å; D143-R147 PolarHBondContact OD2-NE 3.33Å; D143-R147 IonicContact OD2-NH2 3.52Å; D143-R147 PolarHBondContact OD2-NH2 3.07Å; A144-R147 WeakPolarHBondContact O-CB 3.31Å; A144-R147 PolarHBondContact O-N 3.45Å; E145-R147 PolarHBondContact O-N 2.84Å; R147-N152 WeakPolarHBondContact CD-O 3.31Å; R147-V180 WeakPolarHBondContact O-CB 3.39Å; R147-R186 VanDerWaalsContact O-CZ 3.22Å; R147-R186 PolarHBondContact O-NH1 3.49Å; R147-R186 PolarHBondContact O-NH2 2.98Å
148	D	94.4	Very high	96	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.064	14%	0.14	C	C	.	.	S	Bend	trans	-62.6	-55.5	-167	56.4	-7.5	0	0	0	114.3	F179 V180 R193 R196	D148-F179 WeakPolarHBondContact O-CA 3.02Å; D148-F179 WeakPolarHBondContact O-CD1 3.1Å; D148-V180 PolarHBondContact O-N 2.73Å; D148-R193 HydrophobicContact CB-CG 4Å; D148-R196 IonicContact OD1-NH2 3.33Å; D148-R196 IonicContact OD2-CZ 3.91Å; D148-R196 IonicContact OD2-NE 2.81Å; D148-R196 PolarHBondContact OD2-NE 3.48Å; D148-R196 IonicContact OD2-NH2 2.69Å; D148-R196 PolarHBondContact OD2-NH2 2.94Å
149	L	96.9	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-118.6	146.1	-170.1	-60.3	170.8	0	0	0	111.1	I151 N152 S153 V177 Q178 F179 F200	L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 HydrophobicContact CB-CG1 4.04Å; L149-I151 PolarHBondContact O-N 2.92Å; L149-N152 HydrophobicContact CB-CB 4.45Å; L149-N152 CarbonylContact O-C 3.49Å; L149-N152 WeakPolarHBondContact O-CA 3.25Å; L149-N152 PolarHBondContact O-N 3.38Å; L149-S153 PolarHBondContact O-N 2.88Å; L149-S153 VanDerWaalsContact O-N 3.1Å; L149-V177 HydrophobicContact CD1-CG1 3.82Å; L149-V177 HydrophobicContact CD2-CG1 3.84Å; L149-V177 HydrophobicContact CG-CG1 4.4Å; L149-Q178 CarbonylContact C-O 3.57Å; L149-Q178 VanDerWaalsContact CA-O 3.24Å; L149-Q178 WeakPolarHBondContact CA-O 3.43Å; L149-Q178 WeakPolarHBondContact CD2-O 3.16Å; L149-F179 HydrophobicContact CD2-CD1 3.95Å; L149-F179 HydrophobicContact CD2-CD2 4.45Å; L149-F179 HydrophobicContact CD2-CE1 4.06Å; L149-F179 HydrophobicContact CD2-CG 4.16Å; L149-F179 HydrophobicContact CD2-CZ 4.36Å; L149-F200 HydrophobicContact CD1-CB 3.91Å; L149-F200 HydrophobicContact CD1-CD2 3.31Å; L149-F200 HydrophobicContact CD1-CE2 4.03Å; L149-F200 HydrophobicContact CD1-CG 3.93Å
150	T	97.1	Very high	95.7	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.049	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-55.9	-45.1	-179	57.7	0	0	0	0	111.6	N152 S153 F166 G168 D171 Q178 V180	T150-N152 PolarHBondContact O-N 3.45Å; T150-S153 PolarHBondContact O-N 3.19Å; T150-S153 VanDerWaalsContact O-N 3.09Å; T150-S153 PolarHBondContact O-OG 3.36Å; T150-F166 HydrophobicContact CG2-CB 4.31Å; T150-F166 WeakPolarHBondContact CG2-O 3.39Å; T150-G168 WeakPolarHBondContact O-CA 3.45Å; T150-D171 WeakPolarHBondContact CB-OD2 3.07Å; T150-D171 PolarHBondContact OG1-OD2 3.4Å; T150-Q178 HydrophobicContact CG2-CB 4.08Å; T150-Q178 PolarHBondContact N-O 2.82Å; T150-V180 HydrophobicContact CG2-CG2 4.05Å
151	I	96.4	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-62.1	-16.2	176.4	61.3	169.6	0	0	0	114.2	R63 L149 M154 D171 L172 V177 F200 V204	R63-I151 WeakPolarHBondContact CB-O 3.4Å; R63-I151 HydrophobicContact CG-CB 4.44Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 HydrophobicContact CB-CG1 4.04Å; L149-I151 PolarHBondContact O-N 2.92Å; I151-M154 VanDerWaalsContact O-CE 3.28Å; I151-M154 WeakPolarHBondContact O-CE 3.49Å; I151-D171 HydrophobicContact CG2-CB 4.07Å; I151-L172 HydrophobicContact CG2-CB 3.98Å; I151-L172 HydrophobicContact CG2-CD1 4.42Å; I151-V177 HydrophobicContact CD1-CG2 4.34Å; I151-F200 HydrophobicContact CD1-CB 4.3Å; I151-V204 HydrophobicContact CD1-CG2 3.78Å
152	N	96.6	Very high	95.6	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.032	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-113.5	6.6	179.4	-62.9	-25.6	0	0	0	112.7	G59 R63 R147 L149 T150 F200	G59-N152 VanDerWaalsContact CA-O 3.3Å; G59-N152 WeakPolarHBondContact CA-O 3.04Å; R63-N152 PolarHBondContact NH1-OD1 3.26Å; R147-N152 WeakPolarHBondContact CD-O 3.31Å; L149-N152 HydrophobicContact CB-CB 4.45Å; L149-N152 CarbonylContact O-C 3.49Å; L149-N152 WeakPolarHBondContact O-CA 3.25Å; L149-N152 PolarHBondContact O-N 3.38Å; T150-N152 PolarHBondContact O-N 3.45Å; N152-F200 WeakPolarHBondContact ND2-CE2 3.35Å; N152-F200 WeakPolarHBondContact ND2-CZ 3.39Å
153	S	96.9	Very high	95.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-102.8	4.6	-179.4	68.8	0	0	0	0	114.2	A144 L149 T150	A144-S153 VanDerWaalsContact CB-O 3.27Å; A144-S153 WeakPolarHBondContact CB-O 3.17Å; A144-S153 WeakPolarHBondContact O-CB 3.44Å; L149-S153 PolarHBondContact O-N 2.88Å; L149-S153 VanDerWaalsContact O-N 3.1Å; T150-S153 PolarHBondContact O-N 3.19Å; T150-S153 VanDerWaalsContact O-N 3.09Å; T150-S153 PolarHBondContact O-OG 3.36Å
154	M	97.3	Very high	95.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.			trans	-85.2	157	179.1	-60.9	176.8	-73.7	0	0	112.6	G59 V62 L66 I151 L162 Y163 D164 Y169	G59-M154 PolarHBondContact N-O 3.3Å; G59-M154 VanDerWaalsContact N-O 3.1Å; V62-M154 HydrophobicContact CB-CB 4.49Å; V62-M154 HydrophobicContact CG1-CB 3.85Å; L66-M154 HydrophobicContact CD1-CE 3.6Å; L66-M154 HydrophobicContact CD1-SD 3.76Å; I151-M154 VanDerWaalsContact O-CE 3.28Å; I151-M154 WeakPolarHBondContact O-CE 3.49Å; M154-L162 HydrophobicContact CB-CD1 4.17Å; M154-L162 HydrophobicContact SD-CD1 4.18Å; M154-Y163 WeakPolarHBondContact CA-O 3.29Å; M154-D164 HydrophobicContact CG-CB 4.06Å; M154-D164 HydrophobicContact SD-CB 4.42Å; M154-Y169 PolarHBondContact SD-N 3.09Å
155	F	97.9	Very high	95.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.5	169.8	-49.7	-84.1	0	0	0	111.1	R56 I57 A58 A77 L121 W140 D143 A144 Y163 Y165	R56-F155 HydrophobicContact CB-CB 4.15Å; I57-F155 CarbonylContact O-C 3.56Å; I57-F155 VanDerWaalsContact O-CA 3.24Å; I57-F155 WeakPolarHBondContact O-CA 3.3Å; A58-F155 HydrophobicContact CB-CD1 3.69Å; A58-F155 HydrophobicContact CB-CE1 3.9Å; A77-F155 HydrophobicContact CB-CD1 4.24Å; A77-F155 HydrophobicContact CB-CE1 4.01Å; L121-F155 HydrophobicContact CD2-CE1 4.42Å; L121-F155 HydrophobicContact CD2-CZ 4.4Å; W140-F155 HydrophobicContact CB-CE2 4.38Å; W140-F155 HydrophobicContact CE3-CB 4.36Å; W140-F155 AromaticContact CE3-CD1 3.72Å; W140-F155 HydrophobicContact CE3-CD1 3.72Å; W140-F155 AromaticContact CE3-CD2 3.71Å; W140-F155 HydrophobicContact CE3-CD2 3.71Å; W140-F155 AromaticContact CE3-CE1 3.8Å; W140-F155 HydrophobicContact CE3-CE1 3.8Å; W140-F155 AromaticContact CE3-CE2 3.77Å; W140-F155 HydrophobicContact CE3-CE2 3.77Å; W140-F155 AromaticContact CE3-CG 3.67Å; W140-F155 HydrophobicContact CE3-CG 3.67Å; W140-F155 AromaticContact CE3-CZ 3.82Å; W140-F155 HydrophobicContact CE3-CZ 3.82Å; W140-F155 HydrophobicContact CZ3-CB 4.31Å; W140-F155 AromaticContact CZ3-CD1 3.53Å; W140-F155 HydrophobicContact CZ3-CD1 3.53Å; W140-F155 HydrophobicContact CZ3-CD2 4.33Å; W140-F155 AromaticContact CZ3-CE1 3.81Å; W140-F155 HydrophobicContact CZ3-CE1 3.81Å; W140-F155 AromaticContact CZ3-CG 3.81Å; W140-F155 HydrophobicContact CZ3-CG 3.81Å; W140-F155 HydrophobicContact CZ3-CZ 4.31Å; W140-F155 WeakPolarHBondContact O-CE2 3.47Å; D143-F155 HydrophobicContact CB-CZ 4.16Å; D143-F155 WeakPolarHBondContact OD2-CZ 3.19Å; A144-F155 HydrophobicContact CB-CE2 3.81Å; A144-F155 HydrophobicContact CB-CZ 4.31Å; F155-Y163 PolarHBondContact N-O 3.47Å; F155-Y163 PolarHBondContact O-N 2.93Å; F155-Y165 HydrophobicContact CD2-CD2 4.49Å; F155-Y165 AromaticContact CD2-CE2 3.9Å; F155-Y165 HydrophobicContact CD2-CE2 3.9Å; F155-Y165 HydrophobicContact CE2-CD2 4.38Å; F155-Y165 AromaticContact CE2-CE2 3.97Å; F155-Y165 HydrophobicContact CE2-CE2 3.97Å
156	L	97.4	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.8	176.6	-166.6	71.9	0	0	0	109.4	L28 F33 I57 V62 L65 G160 L162	L28-L156 HydrophobicContact CB-CD1 4.3Å; L28-L156 HydrophobicContact CD2-CD2 3.9Å; F33-L156 HydrophobicContact CD2-CD2 3.79Å; F33-L156 HydrophobicContact CE2-CD2 3.63Å; F33-L156 HydrophobicContact CE2-CG 4.37Å; F33-L156 HydrophobicContact CZ-CD2 4.31Å; I57-L156 HydrophobicContact CB-CB 4.25Å; I57-L156 PolarHBondContact N-O 3.23Å; I57-L156 PolarHBondContact O-N 2.82Å; V62-L156 HydrophobicContact CG1-CB 4.17Å; V62-L156 HydrophobicContact CG2-CB 3.92Å; L65-L156 HydrophobicContact CD1-CD2 3.75Å; L156-G160 WeakPolarHBondContact CD1-O 3.42Å; L156-L162 HydrophobicContact CD1-CB 4.17Å; L156-L162 HydrophobicContact CD1-CD1 4.19Å
157	G	96.8	Very high	96	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	154.5	170.3	0	0	0	0	0	111.1	D159 G160 T161	G157-D159 PolarHBondContact O-N 2.84Å; G157-G160 WeakPolarHBondContact O-CA 3.42Å; G157-G160 PolarHBondContact O-N 2.87Å; G157-T161 PolarHBondContact N-O 2.71Å
158	L	95.6	Very high	96.2	Very high	40 Å²	40	21.9 Å²	21.9	21%	0.209	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.9	176.7	-59.9	-176.8	0	0	0	112.6	F37 A45 L55 I57 F76	F37-L158 HydrophobicContact CE1-CB 4.13Å; F37-L158 WeakPolarHBondContact CE1-O 3.44Å; F37-L158 HydrophobicContact CZ-CB 4.34Å; F37-L158 WeakPolarHBondContact CZ-O 3.3Å; A45-L158 HydrophobicContact CB-CD1 3.41Å; A45-L158 VanDerWaalsContact CB-CD1 3.41Å; L55-L158 HydrophobicContact CD2-CD1 4.34Å; I57-L158 HydrophobicContact CD1-CD2 4.35Å; I57-L158 HydrophobicContact CG1-CD2 4.19Å; F76-L158 HydrophobicContact CE1-CD2 4.43Å
159	D	93.7	Very high	96.2	Very high	89 Å²	89	23.9 Å²	23.9	48%	0.476	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.7	167.9	70.3	-27.7	0	0	0	113.3	G157 T161	G157-D159 PolarHBondContact O-N 2.84Å; D159-T161 VanDerWaalsContact CG-OG1 3.27Å; D159-T161 VanDerWaalsContact OD1-CB 3.3Å; D159-T161 WeakPolarHBondContact OD1-CB 3.45Å; D159-T161 PolarHBondContact OD1-N 2.84Å; D159-T161 PolarHBondContact OD1-OG1 2.98Å; D159-T161 WeakPolarHBondContact OD2-CB 3.26Å; D159-T161 PolarHBondContact OD2-OG1 3.18Å
160	G	93.8	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	89.1	2.3	-176.2	0	0	0	0	0	114.3	Q27 L28 L156 G157 L162	Q27-G160 CarbonylContact C-O 3.58Å; Q27-G160 VanDerWaalsContact CA-O 3.3Å; Q27-G160 WeakPolarHBondContact CA-O 3.45Å; L28-G160 PolarHBondContact N-O 3.14Å; L156-G160 WeakPolarHBondContact CD1-O 3.42Å; G157-G160 WeakPolarHBondContact O-CA 3.42Å; G157-G160 PolarHBondContact O-N 2.87Å; G160-L162 PolarHBondContact O-N 2.79Å
161	T	95.9	Very high	96	Very high	17 Å²	17	28 Å²	28	10%	0.104	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-69.1	121.6	179.5	-65.8	0	0	0	0	111	T25 M26 G157 D159 Y163	T25-T161 HydrophobicContact CG2-CG2 4.45Å; M26-T161 WeakPolarHBondContact O-CA 3.34Å; G157-T161 PolarHBondContact N-O 2.71Å; D159-T161 VanDerWaalsContact CG-OG1 3.27Å; D159-T161 VanDerWaalsContact OD1-CB 3.3Å; D159-T161 WeakPolarHBondContact OD1-CB 3.45Å; D159-T161 PolarHBondContact OD1-N 2.84Å; D159-T161 PolarHBondContact OD1-OG1 2.98Å; D159-T161 WeakPolarHBondContact OD2-CB 3.26Å; D159-T161 PolarHBondContact OD2-OG1 3.18Å; T161-Y163 HydrophobicContact CG2-CD2 4.48Å; T161-Y163 HydrophobicContact CG2-CE1 4.49Å; T161-Y163 HydrophobicContact CG2-CE2 3.91Å; T161-Y163 WeakPolarHBondContact O-CD2 3.34Å; T161-Y163 WeakPolarHBondContact O-CE2 3.27Å
162	L	96.4	Very high	95.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131	175.9	-176.5	66.4	0	0	0	111.1	M26 V62 L66 M154 L156 G160 Y169	M26-L162 PolarHBondContact O-N 3.23Å; V62-L162 HydrophobicContact CG1-CD1 3.8Å; L66-L162 HydrophobicContact CD1-CD1 4.02Å; L66-L162 HydrophobicContact CD1-CD2 4.3Å; L66-L162 HydrophobicContact CD2-CD2 4.33Å; M154-L162 HydrophobicContact CB-CD1 4.17Å; M154-L162 HydrophobicContact SD-CD1 4.18Å; L156-L162 HydrophobicContact CD1-CB 4.17Å; L156-L162 HydrophobicContact CD1-CD1 4.19Å; G160-L162 PolarHBondContact O-N 2.79Å; L162-Y169 HydrophobicContact CD2-CD2 3.94Å; L162-Y169 HydrophobicContact CD2-CG 4.04Å
163	Y	96.9	Very high	95.8	Very high	52 Å²	52	34.4 Å²	34.4	20%	0.204	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	108.2	171.2	-59.5	-94.7	0	0	0	108.9	L23 R56 M154 F155 T161	L23-Y163 HydrophobicContact CD2-CD1 4.36Å; R56-Y163 VanDerWaalsContact NH1-CD1 3.34Å; M154-Y163 WeakPolarHBondContact CA-O 3.29Å; F155-Y163 PolarHBondContact N-O 3.47Å; F155-Y163 PolarHBondContact O-N 2.93Å; T161-Y163 HydrophobicContact CG2-CD2 4.48Å; T161-Y163 HydrophobicContact CG2-CE1 4.49Å; T161-Y163 HydrophobicContact CG2-CE2 3.91Å; T161-Y163 WeakPolarHBondContact O-CD2 3.34Å; T161-Y163 WeakPolarHBondContact O-CE2 3.27Å
164	D	96.9	Very high	95.6	Very high	14 Å²	14	38.7 Å²	38.7	8%	0.075	18%	0.183	C	C	.	.			trans	-126.4	114.3	-179.6	-178.8	7.7	0	0	0	110.1	M154 F166 Q167 G168 Y169	M154-D164 HydrophobicContact CG-CB 4.06Å; M154-D164 HydrophobicContact SD-CB 4.42Å; D164-F166 PolarHBondContact OD1-N 2.7Å; D164-Q167 PolarHBondContact OD1-N 2.71Å; D164-Q167 VanDerWaalsContact OD2-CA 3.31Å; D164-Q167 WeakPolarHBondContact OD2-CA 3.49Å; D164-G168 VanDerWaalsContact CG-N 3.28Å; D164-G168 PolarHBondContact OD1-N 3.48Å; D164-G168 PolarHBondContact OD2-N 2.87Å; D164-Y169 PolarHBondContact OD2-N 3.06Å
165	Y	95.6	Very high	95.4	Very high	45 Å²	45	44 Å²	44	18%	0.176	20%	0.203	C	C	.	.	S	Bend	trans	-98.5	-13.8	-177.8	-57	-78.7	0	0	0	113	L23 W140 Q141 A144 F155	L23-Y165 HydrophobicContact CD2-CE1 4.24Å; W140-Y165 HydrophobicContact CB-CE2 3.97Å; W140-Y165 WeakPolarHBondContact CB-OH 3.41Å; Q141-Y165 HydrophobicContact CB-CD1 3.81Å; Q141-Y165 HydrophobicContact CB-CE1 4Å; Q141-Y165 HydrophobicContact CB-CG 4.15Å; Q141-Y165 HydrophobicContact CG-CD1 3.9Å; Q141-Y165 HydrophobicContact CG-CG 4.07Å; A144-Y165 HydrophobicContact CB-CD2 3.7Å; A144-Y165 HydrophobicContact CB-CE2 4.45Å; A144-Y165 HydrophobicContact CB-CG 4.45Å; F155-Y165 HydrophobicContact CD2-CD2 4.49Å; F155-Y165 AromaticContact CD2-CE2 3.9Å; F155-Y165 HydrophobicContact CD2-CE2 3.9Å; F155-Y165 HydrophobicContact CE2-CD2 4.38Å; F155-Y165 AromaticContact CE2-CE2 3.97Å; F155-Y165 HydrophobicContact CE2-CE2 3.97Å
166	F	95.8	Very high	95.1	Very high	31 Å²	31	49.3 Å²	49.3	14%	0.136	23%	0.226	C	C	.	.	S	Bend	trans	-135.9	24.8	-167	-62.4	-74.8	0	0	0	113.1	A144 E145 T150 D164 G168 V180	A144-F166 HydrophobicContact CB-CD2 3.93Å; A144-F166 HydrophobicContact CB-CE2 3.6Å; E145-F166 HydrophobicContact CB-CE2 4.14Å; E145-F166 HydrophobicContact CB-CZ 3.71Å; E145-F166 HydrophobicContact CG-CZ 3.94Å; T150-F166 HydrophobicContact CG2-CB 4.31Å; T150-F166 WeakPolarHBondContact CG2-O 3.39Å; D164-F166 PolarHBondContact OD1-N 2.7Å; F166-G168 PolarHBondContact O-N 3.03Å; F166-V180 HydrophobicContact CB-CG2 4.17Å; F166-V180 HydrophobicContact CD1-CG1 3.71Å; F166-V180 HydrophobicContact CD2-CG1 3.91Å; F166-V180 HydrophobicContact CD2-CG2 4.3Å; F166-V180 HydrophobicContact CE1-CG1 3.75Å; F166-V180 HydrophobicContact CE2-CG1 3.97Å; F166-V180 HydrophobicContact CG-CG1 3.79Å; F166-V180 HydrophobicContact CG-CG2 4.18Å; F166-V180 HydrophobicContact CZ-CG1 3.89Å
167	Q	95	Very high	95	Very high	141 Å²	141	49.6 Å²	49.6	66%	0.659	23%	0.228	S	C	*	.			trans	60.7	27.1	177.2	-52.7	178.8	26.2	0	0	113.9	D164 Y169 E170 D171	D164-Q167 PolarHBondContact OD1-N 2.71Å; D164-Q167 VanDerWaalsContact OD2-CA 3.31Å; D164-Q167 WeakPolarHBondContact OD2-CA 3.49Å; Q167-Y169 PolarHBondContact O-N 3.27Å; Q167-E170 PolarHBondContact O-N 3.4Å; Q167-D171 PolarHBondContact O-N 3.28Å
168	G	96.1	Very high	94.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-30.9	178	0	0	0	0	0	113.7	T150 D164 F166 L172	T150-G168 WeakPolarHBondContact O-CA 3.45Å; D164-G168 VanDerWaalsContact CG-N 3.28Å; D164-G168 PolarHBondContact OD1-N 3.48Å; D164-G168 PolarHBondContact OD2-N 2.87Å; F166-G168 PolarHBondContact O-N 3.03Å; G168-L172 WeakPolarHBondContact O-CB 3.09Å; G168-L172 PolarHBondContact O-N 2.83Å
169	Y	95.3	Very high	95	Very high	54 Å²	54	51 Å²	51	21%	0.212	23%	0.232	C	C	.	.	H	α-helix	trans	-69	-47	177.7	178.9	-108.9	0	0	0	112	F24 M26 L66 M154 L162 D164 Q167 L172 K173	F24-Y169 HydrophobicContact CE1-CD1 4.13Å; F24-Y169 HydrophobicContact CE1-CE1 4.21Å; M26-Y169 HydrophobicContact CE-CE2 4.03Å; L66-Y169 HydrophobicContact CD1-CD2 4.16Å; L66-Y169 HydrophobicContact CD2-CD2 4.07Å; L66-Y169 HydrophobicContact CD2-CE2 4.09Å; M154-Y169 PolarHBondContact SD-N 3.09Å; L162-Y169 HydrophobicContact CD2-CD2 3.94Å; L162-Y169 HydrophobicContact CD2-CG 4.04Å; D164-Y169 PolarHBondContact OD2-N 3.06Å; Q167-Y169 PolarHBondContact O-N 3.27Å; Y169-L172 PolarHBondContact O-N 3.13Å; Y169-K173 WeakPolarHBondContact O-CB 3.41Å; Y169-K173 PolarHBondContact O-N 2.68Å
170	E	94.7	Very high	95.1	Very high	72 Å²	72	46.9 Å²	46.9	34%	0.336	21%	0.21	S	C	.	.	H	α-helix	trans	-68.3	-39.1	177.8	-74.9	-60.6	144.9	0	0	111.2	Q167 L172 K173 N174	Q167-E170 PolarHBondContact O-N 3.4Å; E170-L172 PolarHBondContact O-N 2.9Å; E170-K173 PolarHBondContact O-N 2.69Å; E170-N174 VanDerWaalsContact O-CB 3.25Å; E170-N174 WeakPolarHBondContact O-CB 3.34Å; E170-N174 VanDerWaalsContact O-CG 3.24Å; E170-N174 PolarHBondContact O-N 2.82Å; E170-N174 PolarHBondContact O-ND2 2.8Å
171	D	95.3	Very high	95.1	Very high	21 Å²	21	50.1 Å²	50.1	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-44.8	172.7	-81.2	-21.5	0	0	0	111.7	T150 I151 Q167 K173 N174 R175 K176	T150-D171 WeakPolarHBondContact CB-OD2 3.07Å; T150-D171 PolarHBondContact OG1-OD2 3.4Å; I151-D171 HydrophobicContact CG2-CB 4.07Å; Q167-D171 PolarHBondContact O-N 3.28Å; D171-K173 VanDerWaalsContact C-N 3.34Å; D171-K173 PolarHBondContact O-N 2.99Å; D171-N174 CarbonylContact O-C 3.59Å; D171-N174 PolarHBondContact O-N 3.16Å; D171-R175 PolarHBondContact O-N 2.66Å; D171-K176 HydrophobicContact CB-CB 4.26Å; D171-K176 PolarHBondContact O-N 3.1Å
172	L	94.8	Very high	95	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-42.7	177.3	-177.1	60.6	0	0	0	111.5	R63 L66 I151 G168 Y169 E170 R175 V204	R63-L172 HydrophobicContact CG-CD1 3.84Å; R63-L172 HydrophobicContact CG-CD2 4.09Å; L66-L172 HydrophobicContact CB-CD2 3.57Å; L66-L172 HydrophobicContact CD1-CD2 4.16Å; I151-L172 HydrophobicContact CG2-CB 3.98Å; I151-L172 HydrophobicContact CG2-CD1 4.42Å; G168-L172 WeakPolarHBondContact O-CB 3.09Å; G168-L172 PolarHBondContact O-N 2.83Å; Y169-L172 PolarHBondContact O-N 3.13Å; E170-L172 PolarHBondContact O-N 2.9Å; L172-R175 WeakPolarHBondContact O-CD 3.21Å; L172-R175 PolarHBondContact O-N 2.73Å; L172-V204 HydrophobicContact CD1-CG1 3.95Å; L172-V204 HydrophobicContact CD1-CG2 4.08Å
173	K	93.8	Very high	94.9	Very high	133 Å²	133	53.2 Å²	53.2	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-64.7	-42	177	-176.2	-176.9	174.6	-168.9	0	112	Y169 E170 D171 R175	Y169-K173 WeakPolarHBondContact O-CB 3.41Å; Y169-K173 PolarHBondContact O-N 2.68Å; E170-K173 PolarHBondContact O-N 2.69Å; D171-K173 VanDerWaalsContact C-N 3.34Å; D171-K173 PolarHBondContact O-N 2.99Å; K173-R175 PolarHBondContact O-N 3.23Å
174	N	93.3	Very high	94.9	Very high	90 Å²	90	54.7 Å²	54.7	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.3	177.5	-64.9	-46.3	0	0	0	113.2	E170 D171 K176	E170-N174 VanDerWaalsContact O-CB 3.25Å; E170-N174 WeakPolarHBondContact O-CB 3.34Å; E170-N174 VanDerWaalsContact O-CG 3.24Å; E170-N174 PolarHBondContact O-N 2.82Å; E170-N174 PolarHBondContact O-ND2 2.8Å; D171-N174 CarbonylContact O-C 3.59Å; D171-N174 PolarHBondContact O-N 3.16Å; N174-K176 VanDerWaalsContact C-N 3.25Å; N174-K176 HydrophobicContact CB-CD 4.39Å; N174-K176 HydrophobicContact CB-CG 4.2Å; N174-K176 PolarHBondContact O-N 3.03Å
175	R	92.4	Very high	94.7	Very high	111 Å²	111	59.4 Å²	59.4	42%	0.419	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	35.4	178.7	-51.7	-57.5	-161.2	171	-6.6	113.4	D171 L172 K173 V204 V206	D171-R175 PolarHBondContact O-N 2.66Å; L172-R175 WeakPolarHBondContact O-CD 3.21Å; L172-R175 PolarHBondContact O-N 2.73Å; K173-R175 PolarHBondContact O-N 3.23Å; R175-V204 HydrophobicContact CB-CG1 4.46Å; R175-V204 VanDerWaalsContact CD-O 3.31Å; R175-V204 WeakPolarHBondContact CD-O 3.49Å; R175-V206 HydrophobicContact CG-CG2 3.95Å
176	K	92.8	Very high	94.6	Very high	112 Å²	112	57.8 Å²	57.8	49%	0.487	29%	0.291	S	S	.	.			trans	-98.3	143.6	178.7	-65.4	-174.1	178.8	-178.5	0	110.9	D171 N174 Q178	D171-K176 HydrophobicContact CB-CB 4.26Å; D171-K176 PolarHBondContact O-N 3.1Å; N174-K176 VanDerWaalsContact C-N 3.25Å; N174-K176 HydrophobicContact CB-CD 4.39Å; N174-K176 HydrophobicContact CB-CG 4.2Å; N174-K176 PolarHBondContact O-N 3.03Å; K176-Q178 HydrophobicContact CB-CG 4.33Å
177	V	94.8	Very high	94.6	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.036	28%	0.284	C	S	.	.			trans	-114.7	109.5	170.3	-177.5	0	0	0	0	107.3	L149 I151 Y197 F200 Y201 V204	L149-V177 HydrophobicContact CD1-CG1 3.82Å; L149-V177 HydrophobicContact CD2-CG1 3.84Å; L149-V177 HydrophobicContact CG-CG1 4.4Å; I151-V177 HydrophobicContact CD1-CG2 4.34Å; V177-Y197 HydrophobicContact CB-CD2 4.36Å; V177-Y197 HydrophobicContact CB-CE2 4.13Å; V177-Y197 HydrophobicContact CG1-CD2 3.71Å; V177-Y197 HydrophobicContact CG1-CE2 3.99Å; V177-F200 HydrophobicContact CG1-CB 4.39Å; V177-Y201 HydrophobicContact CB-CD2 4.38Å; V177-Y201 HydrophobicContact CG2-CD2 4.34Å; V177-V204 HydrophobicContact CG2-CB 4.34Å
178	Q	95.2	Very high	94.6	Very high	61 Å²	61	53.6 Å²	53.6	29%	0.285	27%	0.272	S	S	.	.			trans	-127.3	144.4	-176.1	-68	-83	-75.5	0	0	109.1	L149 T150 K176 D212	L149-Q178 CarbonylContact C-O 3.57Å; L149-Q178 VanDerWaalsContact CA-O 3.24Å; L149-Q178 WeakPolarHBondContact CA-O 3.43Å; L149-Q178 WeakPolarHBondContact CD2-O 3.16Å; T150-Q178 HydrophobicContact CG2-CB 4.08Å; T150-Q178 PolarHBondContact N-O 2.82Å; K176-Q178 HydrophobicContact CB-CG 4.33Å; Q178-D212 PolarHBondContact NE2-OD2 3.32Å
179	F	96.9	Very high	94.4	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.057	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-73.4	148.2	171.2	-76.3	-82.4	0	0	0	110.4	D148 L149 G181 A183 R186 I187 R193 Y197 T215	D148-F179 WeakPolarHBondContact O-CA 3.02Å; D148-F179 WeakPolarHBondContact O-CD1 3.1Å; L149-F179 HydrophobicContact CD2-CD1 3.95Å; L149-F179 HydrophobicContact CD2-CD2 4.45Å; L149-F179 HydrophobicContact CD2-CE1 4.06Å; L149-F179 HydrophobicContact CD2-CG 4.16Å; L149-F179 HydrophobicContact CD2-CZ 4.36Å; F179-G181 PolarHBondContact O-N 3.44Å; F179-A183 HydrophobicContact CB-CB 4.2Å; F179-A183 HydrophobicContact CD2-CB 3.48Å; F179-A183 VanDerWaalsContact CD2-CB 3.48Å; F179-A183 HydrophobicContact CE2-CB 4.12Å; F179-A183 HydrophobicContact CG-CB 4.02Å; F179-R186 HydrophobicContact CB-CB 4.47Å; F179-R186 HydrophobicContact CB-CG 4.19Å; F179-R186 HydrophobicContact CD1-CB 3.58Å; F179-R186 HydrophobicContact CD1-CG 4.11Å; F179-R186 HydrophobicContact CE1-CB 4.14Å; F179-R186 HydrophobicContact CG-CB 4.28Å; F179-I187 HydrophobicContact CE1-CG1 4.29Å; F179-I187 HydrophobicContact CE2-CD1 4.22Å; F179-I187 HydrophobicContact CE2-CG1 4.37Å; F179-I187 HydrophobicContact CZ-CD1 4.15Å; F179-I187 HydrophobicContact CZ-CG1 3.85Å; F179-R193 HydrophobicContact CE1-CB 4.03Å; F179-Y197 HydrophobicContact CE2-CD2 4.21Å; F179-T215 HydrophobicContact CD2-CG2 4.1Å; F179-T215 HydrophobicContact CE2-CG2 3.82Å
180	V	95.9	Very high	94.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.275	C	S	.	.	S	Bend	trans	-72.9	118	166.6	170.4	0	0	0	0	108	R147 D148 T150 F166 R186	R147-V180 WeakPolarHBondContact O-CB 3.39Å; D148-V180 PolarHBondContact O-N 2.73Å; T150-V180 HydrophobicContact CG2-CG2 4.05Å; F166-V180 HydrophobicContact CB-CG2 4.17Å; F166-V180 HydrophobicContact CD1-CG1 3.71Å; F166-V180 HydrophobicContact CD2-CG1 3.91Å; F166-V180 HydrophobicContact CD2-CG2 4.3Å; F166-V180 HydrophobicContact CE1-CG1 3.75Å; F166-V180 HydrophobicContact CE2-CG1 3.97Å; F166-V180 HydrophobicContact CG-CG1 3.79Å; F166-V180 HydrophobicContact CG-CG2 4.18Å; F166-V180 HydrophobicContact CZ-CG1 3.89Å; V180-R186 WeakPolarHBondContact O-CD 3.35Å; V180-R186 WeakPolarHBondContact O-CG 3.39Å; V180-R186 PolarHBondContact O-NH1 3.08Å
181	G	93.1	Very high	94.4	Very high	69 Å²	69	53.5 Å²	53.5	71%	0.711	27%	0.271	S	S	*	.	S	Bend	trans	74.8	-140.4	-175.8	0	0	0	0	0	113	F179	F179-G181 PolarHBondContact O-N 3.44Å
182	C	94	Very high	94.5	Very high	66 Å²	66	53 Å²	53	45%	0.446	27%	0.268	S	S	.	.			trans	-84.4	121.6	-176.1	-177.9	0	0	0	0	112.1	E184 Q185 R186	C182-E184 VanDerWaalsContact C-N 3.32Å; C182-E184 PolarHBondContact O-N 2.95Å; C182-Q185 HydrophobicContact CB-CB 4.15Å; C182-Q185 PolarHBondContact O-N 3.03Å; C182-R186 VanDerWaalsContact O-CG 3.29Å; C182-R186 WeakPolarHBondContact O-CG 3.3Å; C182-R186 PolarHBondContact O-N 2.89Å
183	A	95.6	Very high	94.6	Very high	17 Å²	17	53.5 Å²	53.5	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-54.6	-43.7	-179.2	0	0	0	0	0	113.4	F179 R186 I187 A218	F179-A183 HydrophobicContact CB-CB 4.2Å; F179-A183 HydrophobicContact CD2-CB 3.48Å; F179-A183 VanDerWaalsContact CD2-CB 3.48Å; F179-A183 HydrophobicContact CE2-CB 4.12Å; F179-A183 HydrophobicContact CG-CB 4.02Å; A183-R186 PolarHBondContact O-N 3.45Å; A183-I187 WeakPolarHBondContact O-CB 3.37Å; A183-I187 WeakPolarHBondContact O-CD1 3.19Å; A183-I187 VanDerWaalsContact O-CG1 3.24Å; A183-I187 WeakPolarHBondContact O-CG1 3.35Å; A183-I187 PolarHBondContact O-N 3.26Å; A183-A218 HydrophobicContact CB-CB 4.05Å
184	E	95.9	Very high	94.8	Very high	83 Å²	83	47.1 Å²	47.1	39%	0.388	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-53.6	178.8	-176.6	-172.7	177.1	0	0	111.5	C182 R186 I187 Q188 A218	C182-E184 VanDerWaalsContact C-N 3.32Å; C182-E184 PolarHBondContact O-N 2.95Å; E184-R186 VanDerWaalsContact C-N 3.28Å; E184-R186 PolarHBondContact O-N 3.27Å; E184-I187 PolarHBondContact O-N 3.28Å; E184-Q188 WeakPolarHBondContact O-CG 3.44Å; E184-Q188 PolarHBondContact O-N 2.88Å; E184-Q188 PolarHBondContact OE1-NE2 2.98Å; E184-A218 HydrophobicContact CB-CB 4.31Å
185	Q	93.3	Very high	95.1	Very high	113 Å²	113	43 Å²	43	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-58.1	-43.7	179	-175.1	-178	-4.9	0	0	110.9	C182 I187 Q188 E189	C182-Q185 HydrophobicContact CB-CB 4.15Å; C182-Q185 PolarHBondContact O-N 3.03Å; Q185-I187 VanDerWaalsContact C-N 3.31Å; Q185-I187 PolarHBondContact O-N 3.46Å; Q185-Q188 PolarHBondContact O-N 3.03Å; Q185-E189 WeakPolarHBondContact O-CG 3.44Å; Q185-E189 PolarHBondContact O-N 3.4Å
186	R	93.9	Very high	95.3	Very high	10 Å²	10	40.5 Å²	40.5	4%	0.038	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-36.6	178.1	-58.4	-35.3	-71.2	-78.7	-8.2	111.8	E145 R146 R147 F179 V180 C182 A183 E184 E189 R193	E145-R186 VanDerWaalsContact O-CZ 3.24Å; E145-R186 PolarHBondContact O-NH1 2.92Å; E145-R186 PolarHBondContact O-NH2 2.8Å; E145-R186 VanDerWaalsContact O-NH2 3.16Å; R146-R186 PolarHBondContact O-NH2 2.8Å; R147-R186 VanDerWaalsContact O-CZ 3.22Å; R147-R186 PolarHBondContact O-NH1 3.49Å; R147-R186 PolarHBondContact O-NH2 2.98Å; F179-R186 HydrophobicContact CB-CB 4.47Å; F179-R186 HydrophobicContact CB-CG 4.19Å; F179-R186 HydrophobicContact CD1-CB 3.58Å; F179-R186 HydrophobicContact CD1-CG 4.11Å; F179-R186 HydrophobicContact CE1-CB 4.14Å; F179-R186 HydrophobicContact CG-CB 4.28Å; V180-R186 WeakPolarHBondContact O-CD 3.35Å; V180-R186 WeakPolarHBondContact O-CG 3.39Å; V180-R186 PolarHBondContact O-NH1 3.08Å; C182-R186 VanDerWaalsContact O-CG 3.29Å; C182-R186 WeakPolarHBondContact O-CG 3.3Å; C182-R186 PolarHBondContact O-N 2.89Å; A183-R186 PolarHBondContact O-N 3.45Å; E184-R186 VanDerWaalsContact C-N 3.28Å; E184-R186 PolarHBondContact O-N 3.27Å; R186-E189 IonicContact CZ-OE2 3.01Å; R186-E189 IonicContact NE-OE1 3.46Å; R186-E189 IonicContact NE-OE2 2.86Å; R186-E189 PolarHBondContact NE-OE2 3.07Å; R186-E189 IonicContact NH2-OE2 3.39Å; R186-R193 VanDerWaalsContact CA-NH1 3.33Å; R186-R193 VanDerWaalsContact NE-NH1 3.19Å; R186-R193 WeakPolarHBondContact O-CD 3.43Å; R186-R193 PolarHBondContact O-NH1 3.3Å
187	I	95.8	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-40.7	176.8	-71.7	164.4	0	0	0	110.8	F179 A183 E184 Q185 E189 D190 Y191 I194 A218 I219 N222	F179-I187 HydrophobicContact CE1-CG1 4.29Å; F179-I187 HydrophobicContact CE2-CD1 4.22Å; F179-I187 HydrophobicContact CE2-CG1 4.37Å; F179-I187 HydrophobicContact CZ-CD1 4.15Å; F179-I187 HydrophobicContact CZ-CG1 3.85Å; A183-I187 WeakPolarHBondContact O-CB 3.37Å; A183-I187 WeakPolarHBondContact O-CD1 3.19Å; A183-I187 VanDerWaalsContact O-CG1 3.24Å; A183-I187 WeakPolarHBondContact O-CG1 3.35Å; A183-I187 PolarHBondContact O-N 3.26Å; E184-I187 PolarHBondContact O-N 3.28Å; Q185-I187 VanDerWaalsContact C-N 3.31Å; Q185-I187 PolarHBondContact O-N 3.46Å; I187-E189 VanDerWaalsContact C-N 3.32Å; I187-E189 PolarHBondContact O-N 3.07Å; I187-D190 CarbonylContact O-C 3.52Å; I187-D190 PolarHBondContact O-N 3.44Å; I187-Y191 HydrophobicContact CG2-CD1 3.82Å; I187-Y191 HydrophobicContact CG2-CE1 4.34Å; I187-Y191 WeakPolarHBondContact O-CA 3.24Å; I187-Y191 PolarHBondContact O-N 2.83Å; I187-I194 HydrophobicContact CD1-CG1 4.26Å; I187-I194 HydrophobicContact CG1-CG1 4.14Å; I187-I194 HydrophobicContact CG2-CD1 3.7Å; I187-I194 HydrophobicContact CG2-CG1 3.67Å; I187-A218 HydrophobicContact CD1-CB 4.12Å; I187-I219 HydrophobicContact CD1-CG1 3.74Å; I187-N222 HydrophobicContact CG2-CB 3.48Å; I187-N222 VanDerWaalsContact CG2-CB 3.48Å
188	Q	94.3	Very high	95.7	Very high	85 Å²	85	35 Å²	35	40%	0.397	19%	0.186	S	C	.	.	H	α-helix	trans	-66.9	-31.4	179.8	-71.9	170	-4.5	0	0	113	E184 Q185 D190 Y191 N222	E184-Q188 WeakPolarHBondContact O-CG 3.44Å; E184-Q188 PolarHBondContact O-N 2.88Å; E184-Q188 PolarHBondContact OE1-NE2 2.98Å; Q185-Q188 PolarHBondContact O-N 3.03Å; Q188-D190 VanDerWaalsContact C-N 3.34Å; Q188-Y191 HydrophobicContact CG-CE1 4.42Å; Q188-N222 VanDerWaalsContact CG-OD1 3.25Å; Q188-N222 WeakPolarHBondContact CG-OD1 3.29Å; Q188-N222 PolarHBondContact NE2-OD1 3.21Å; Q188-N222 VanDerWaalsContact NE2-OD1 3.14Å
189	E	91.4	Very high	95.7	Very high	44 Å²	44	33.5 Å²	33.5	21%	0.206	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-35.9	171.4	-74.7	165.9	-159.2	0	0	112.9	T127 D128 G129 Q185 R186 I187 R193	T127-E189 HydrophobicContact CG2-CB 4.09Å; T127-E189 HydrophobicContact CG2-CG 4.24Å; D128-E189 CarbonylContact C-O 2.96Å; D128-E189 VanDerWaalsContact C-O 3.25Å; G129-E189 WeakPolarHBondContact CA-O 3.38Å; G129-E189 PolarHBondContact N-O 3.38Å; Q185-E189 WeakPolarHBondContact O-CG 3.44Å; Q185-E189 PolarHBondContact O-N 3.4Å; R186-E189 IonicContact CZ-OE2 3.01Å; R186-E189 IonicContact NE-OE1 3.46Å; R186-E189 IonicContact NE-OE2 2.86Å; R186-E189 PolarHBondContact NE-OE2 3.07Å; R186-E189 IonicContact NH2-OE2 3.39Å; I187-E189 VanDerWaalsContact C-N 3.32Å; I187-E189 PolarHBondContact O-N 3.07Å; E189-R193 IonicContact OE2-CZ 2.66Å; E189-R193 IonicContact OE2-NH1 3.81Å; E189-R193 PolarHBondContact OE2-NH1 2.71Å; E189-R193 IonicContact OE2-NH2 3.69Å; E189-R193 PolarHBondContact OE2-NH2 3.21Å
190	D	93.9	Very high	95.6	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	18%	0.177	C	C	.	.			trans	-157.9	102.9	174.5	-176	1.5	0	0	0	110.3	G129 I187 Q188 L192 R193 R233	G129-D190 VanDerWaalsContact CA-CB 3.49Å; G129-D190 VanDerWaalsContact CA-CG 3.49Å; I187-D190 CarbonylContact O-C 3.52Å; I187-D190 PolarHBondContact O-N 3.44Å; Q188-D190 VanDerWaalsContact C-N 3.34Å; D190-L192 PolarHBondContact O-N 2.88Å; D190-L192 WeakPolarHBondContact OD1-CB 3.47Å; D190-L192 PolarHBondContact OD1-N 3.47Å; D190-R193 HydrophobicContact CB-CG 4.13Å; D190-R193 WeakPolarHBondContact O-CB 3.22Å; D190-R193 WeakPolarHBondContact O-CG 3.38Å; D190-R193 PolarHBondContact O-N 3.32Å; D190-R233 IonicContact OD1-CZ 2.77Å; D190-R233 IonicContact OD1-NH1 2.7Å; D190-R233 IonicContact OD1-NH2 3.53Å; D190-R233 PolarHBondContact OD1-NH2 3.05Å; D190-R233 IonicContact OD2-CZ 2.64Å; D190-R233 IonicContact OD2-NH2 3.77Å; D190-R233 PolarHBondContact OD2-NH2 3.44Å
191	Y	96.9	Very high	95.6	Very high	65 Å²	65	33.5 Å²	33.5	26%	0.255	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19	-178.2	-61.9	-77.1	0	0	0	113.1	I187 Q188 R193 I194 N222 L226	I187-Y191 HydrophobicContact CG2-CD1 3.82Å; I187-Y191 HydrophobicContact CG2-CE1 4.34Å; I187-Y191 WeakPolarHBondContact O-CA 3.24Å; I187-Y191 PolarHBondContact O-N 2.83Å; Q188-Y191 HydrophobicContact CG-CE1 4.42Å; Y191-R193 PolarHBondContact O-N 3.16Å; Y191-R193 VanDerWaalsContact O-N 3.15Å; Y191-I194 WeakPolarHBondContact O-CB 3.44Å; Y191-I194 WeakPolarHBondContact O-CG1 3.15Å; Y191-I194 PolarHBondContact O-N 2.99Å; Y191-I194 VanDerWaalsContact O-N 3.12Å; Y191-N222 HydrophobicContact CD1-CB 4.24Å; Y191-N222 WeakPolarHBondContact CD1-O 3.48Å; Y191-N222 HydrophobicContact CE1-CB 4Å; Y191-L226 VanDerWaalsContact O-CD2 3.27Å; Y191-L226 WeakPolarHBondContact O-CD2 3.27Å
192	L	96.9	Very high	95.7	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.052	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.7	172.7	-170.8	68.7	0	0	0	112.3	D190 I194 L195 R196 I229 R233 I234 E237	D190-L192 PolarHBondContact O-N 2.88Å; D190-L192 WeakPolarHBondContact OD1-CB 3.47Å; D190-L192 PolarHBondContact OD1-N 3.47Å; L192-I194 PolarHBondContact O-N 3.12Å; L192-L195 HydrophobicContact CD1-CD1 4.12Å; L192-L195 PolarHBondContact O-N 2.64Å; L192-R196 PolarHBondContact O-N 2.77Å; L192-R196 VanDerWaalsContact O-N 3.13Å; L192-I229 HydrophobicContact CB-CG2 4.25Å; L192-I229 HydrophobicContact CD1-CG2 4.01Å; L192-R233 HydrophobicContact CD1-CB 4.25Å; L192-R233 HydrophobicContact CD2-CB 4.02Å; L192-I234 HydrophobicContact CD1-CG1 4.29Å; L192-E237 HydrophobicContact CD1-CB 4.42Å; L192-E237 HydrophobicContact CD1-CG 3.88Å; L192-E237 HydrophobicContact CD2-CG 4.17Å; L192-E237 HydrophobicContact CG-CG 4.05Å
193	R	97.2	Very high	95.5	Very high	19 Å²	19	32.9 Å²	32.9	7%	0.072	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-22.5	176.4	-69.9	167.3	176.7	-179.5	5	113.1	D148 F179 R186 E189 D190 Y191 R196 Y197	D148-R193 HydrophobicContact CB-CG 4Å; F179-R193 HydrophobicContact CE1-CB 4.03Å; R186-R193 VanDerWaalsContact CA-NH1 3.33Å; R186-R193 VanDerWaalsContact NE-NH1 3.19Å; R186-R193 WeakPolarHBondContact O-CD 3.43Å; R186-R193 PolarHBondContact O-NH1 3.3Å; E189-R193 IonicContact OE2-CZ 2.66Å; E189-R193 IonicContact OE2-NH1 3.81Å; E189-R193 PolarHBondContact OE2-NH1 2.71Å; E189-R193 IonicContact OE2-NH2 3.69Å; E189-R193 PolarHBondContact OE2-NH2 3.21Å; D190-R193 HydrophobicContact CB-CG 4.13Å; D190-R193 WeakPolarHBondContact O-CB 3.22Å; D190-R193 WeakPolarHBondContact O-CG 3.38Å; D190-R193 PolarHBondContact O-N 3.32Å; Y191-R193 PolarHBondContact O-N 3.16Å; Y191-R193 VanDerWaalsContact O-N 3.15Å; R193-R196 PolarHBondContact O-N 2.91Å; R193-Y197 PolarHBondContact O-N 3.21Å
194	I	98.2	Very high	95.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-50.9	168.7	-66.1	168.5	0	0	0	110.4	I187 Y191 L192 R196 Y197 F198 I219 L226 L259	I187-I194 HydrophobicContact CD1-CG1 4.26Å; I187-I194 HydrophobicContact CG1-CG1 4.14Å; I187-I194 HydrophobicContact CG2-CD1 3.7Å; I187-I194 HydrophobicContact CG2-CG1 3.67Å; Y191-I194 WeakPolarHBondContact O-CB 3.44Å; Y191-I194 WeakPolarHBondContact O-CG1 3.15Å; Y191-I194 PolarHBondContact O-N 2.99Å; Y191-I194 VanDerWaalsContact O-N 3.12Å; L192-I194 PolarHBondContact O-N 3.12Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 2.9Å; I194-Y197 WeakPolarHBondContact O-CB 3.23Å; I194-Y197 PolarHBondContact O-N 3.05Å; I194-F198 HydrophobicContact CG2-CD2 4.32Å; I194-F198 HydrophobicContact CG2-CE2 3.88Å; I194-F198 WeakPolarHBondContact O-CD2 3.48Å; I194-F198 PolarHBondContact O-N 3.43Å; I194-I219 HydrophobicContact CG1-CG1 4.33Å; I194-I219 HydrophobicContact CG1-CG2 4.41Å; I194-I219 HydrophobicContact CG2-CG1 4.41Å; I194-I219 HydrophobicContact CG2-CG2 3.61Å; I194-L226 HydrophobicContact CB-CD1 4.38Å; I194-L226 HydrophobicContact CB-CD2 4.46Å; I194-L226 HydrophobicContact CD1-CD1 4.11Å; I194-L226 HydrophobicContact CD1-CG 4.05Å; I194-L226 HydrophobicContact CG2-CD1 4.1Å; I194-L259 HydrophobicContact CG2-CD1 3.66Å
195	L	98.1	Very high	95	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-33.7	-179.9	-61.3	-175.9	0	0	0	112	L192 Y197 F198 R199 L226 I234 E237 M254 I263	L192-L195 HydrophobicContact CD1-CD1 4.12Å; L192-L195 PolarHBondContact O-N 2.64Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; L195-F198 PolarHBondContact O-N 2.97Å; L195-R199 PolarHBondContact O-N 3.27Å; L195-L226 HydrophobicContact CD1-CD2 4.38Å; L195-L226 HydrophobicContact CG-CD2 4.15Å; L195-I234 HydrophobicContact CD1-CB 4.08Å; L195-I234 HydrophobicContact CD1-CG1 3.94Å; L195-I234 HydrophobicContact CD1-CG2 3.72Å; L195-E237 HydrophobicContact CB-CB 3.83Å; L195-E237 HydrophobicContact CB-CG 4.45Å; L195-E237 HydrophobicContact CD1-CB 4.35Å; L195-M254 HydrophobicContact CD2-CE 3.38Å; L195-I263 HydrophobicContact CD1-CG2 4.26Å; L195-I263 HydrophobicContact CD2-CD1 4.47Å; L195-I263 HydrophobicContact CD2-CG2 4.31Å
196	R	97.4	Very high	94.7	Very high	60 Å²	60	28.4 Å²	28.4	23%	0.226	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-38.3	175.1	-65.8	173.1	56.7	91	-5	111.7	D148 L192 R193 I194 R199 F200 E237	D148-R196 IonicContact OD1-NH2 3.33Å; D148-R196 IonicContact OD2-CZ 3.91Å; D148-R196 IonicContact OD2-NE 2.81Å; D148-R196 PolarHBondContact OD2-NE 3.48Å; D148-R196 IonicContact OD2-NH2 2.69Å; D148-R196 PolarHBondContact OD2-NH2 2.94Å; L192-R196 PolarHBondContact O-N 2.77Å; L192-R196 VanDerWaalsContact O-N 3.13Å; R193-R196 PolarHBondContact O-N 2.91Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 2.9Å; R196-R199 PolarHBondContact O-N 2.91Å; R196-F200 HydrophobicContact CB-CD2 4.25Å; R196-F200 HydrophobicContact CB-CE2 4.34Å; R196-F200 WeakPolarHBondContact O-CB 3.42Å; R196-F200 WeakPolarHBondContact O-CD2 3.32Å; R196-F200 PolarHBondContact O-N 3.37Å; R196-E237 HydrophobicContact CG-CG 4.12Å; R196-E237 IonicContact NH1-OE1 3.12Å
197	Y	97.7	Very high	94.3	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-53.9	-54.2	171.6	170.2	-94.7	0	0	0	110.6	V177 F179 R193 I194 L195 R199 F200 Y201 H211 T215 L216 I219	V177-Y197 HydrophobicContact CB-CD2 4.36Å; V177-Y197 HydrophobicContact CB-CE2 4.13Å; V177-Y197 HydrophobicContact CG1-CD2 3.71Å; V177-Y197 HydrophobicContact CG1-CE2 3.99Å; F179-Y197 HydrophobicContact CE2-CD2 4.21Å; R193-Y197 PolarHBondContact O-N 3.21Å; I194-Y197 WeakPolarHBondContact O-CB 3.23Å; I194-Y197 PolarHBondContact O-N 3.05Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; Y197-R199 PolarHBondContact O-N 3.03Å; Y197-F200 PolarHBondContact O-N 3.21Å; Y197-Y201 VanDerWaalsContact O-CB 3.3Å; Y197-Y201 WeakPolarHBondContact O-CB 3.42Å; Y197-Y201 PolarHBondContact O-N 3.27Å; Y197-H211 AromaticContact CE1-ND1 3.66Å; Y197-H211 AromaticContact CZ-ND1 3.65Å; Y197-H211 PolarHBondContact OH-ND1 3.38Å; Y197-T215 HydrophobicContact CD2-CG2 3.88Å; Y197-T215 HydrophobicContact CE1-CG2 4.45Å; Y197-T215 HydrophobicContact CE2-CG2 3.51Å; Y197-T215 HydrophobicContact CG-CG2 4.49Å; Y197-L216 HydrophobicContact CE1-CD2 4.19Å; Y197-I219 HydrophobicContact CD1-CD1 3.48Å; Y197-I219 VanDerWaalsContact CD1-CD1 3.48Å; Y197-I219 HydrophobicContact CE1-CD1 3.86Å; Y197-I219 HydrophobicContact CG-CD1 3.94Å
198	F	97.6	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-45.1	179	-69	-69.3	0	0	0	112.7	I194 L195 F200 Y201 G202 I219 M241 L250 V253 M254 L257 L259	I194-F198 HydrophobicContact CG2-CD2 4.32Å; I194-F198 HydrophobicContact CG2-CE2 3.88Å; I194-F198 WeakPolarHBondContact O-CD2 3.48Å; I194-F198 PolarHBondContact O-N 3.43Å; L195-F198 PolarHBondContact O-N 2.97Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-F200 PolarHBondContact O-N 3.09Å; F198-Y201 PolarHBondContact O-N 3.12Å; F198-G202 PolarHBondContact O-N 3.29Å; F198-I219 HydrophobicContact CE2-CD1 4.33Å; F198-I219 HydrophobicContact CE2-CG2 4.25Å; F198-I219 HydrophobicContact CZ-CD1 4.28Å; F198-I219 HydrophobicContact CZ-CG2 4.38Å; F198-M241 HydrophobicContact CB-CG 4.32Å; F198-L250 HydrophobicContact CD1-CB 4.38Å; F198-L250 HydrophobicContact CD1-CD2 4.1Å; F198-L250 WeakPolarHBondContact O-CD1 3.45Å; F198-V253 HydrophobicContact CE1-CB 4.35Å; F198-V253 HydrophobicContact CE1-CG1 3.82Å; F198-V253 HydrophobicContact CZ-CG1 4.29Å; F198-M254 HydrophobicContact CB-SD 4.49Å; F198-M254 HydrophobicContact CD1-CG 4.09Å; F198-M254 HydrophobicContact CD2-CE 4.49Å; F198-M254 HydrophobicContact CD2-CG 3.83Å; F198-M254 HydrophobicContact CD2-SD 4.05Å; F198-M254 HydrophobicContact CE1-CG 4.01Å; F198-M254 HydrophobicContact CE2-CG 3.76Å; F198-M254 HydrophobicContact CG-CG 4.03Å; F198-M254 HydrophobicContact CG-SD 4.13Å; F198-M254 HydrophobicContact CZ-CG 3.86Å; F198-L257 HydrophobicContact CZ-CD1 3.78Å; F198-L259 HydrophobicContact CD2-CD1 4.42Å; F198-L259 HydrophobicContact CE2-CD1 3.53Å; F198-L259 HydrophobicContact CZ-CD1 4.13Å
199	R	96.3	Very high	93.1	Very high	31 Å²	31	34.1 Å²	34.1	12%	0.117	17%	0.172	C	C	.	.	H	α-helix	trans	-56.1	-49.3	176.7	-177.2	-170.4	69.5	-165.7	-2	111.4	L195 R196 Y197 G202 R203 E237 K240 M241	L195-R199 PolarHBondContact O-N 3.27Å; R196-R199 PolarHBondContact O-N 2.91Å; Y197-R199 PolarHBondContact O-N 3.03Å; R199-G202 PolarHBondContact O-N 3.16Å; R199-R203 PolarHBondContact O-N 3.3Å; R199-R203 VanDerWaalsContact O-N 3.09Å; R199-E237 WeakPolarHBondContact CD-OE2 3.49Å; R199-E237 IonicContact CZ-OE1 2.87Å; R199-E237 IonicContact CZ-OE2 2.71Å; R199-E237 IonicContact NE-OE2 3.65Å; R199-E237 PolarHBondContact NE-OE2 2.79Å; R199-E237 IonicContact NH1-OE1 2.73Å; R199-E237 PolarHBondContact NH1-OE1 3.05Å; R199-E237 IonicContact NH1-OE2 3.13Å; R199-E237 PolarHBondContact NH1-OE2 3.26Å; R199-E237 IonicContact NH2-OE1 3.78Å; R199-E237 IonicContact NH2-OE2 2.68Å; R199-K240 HydrophobicContact CG-CB 4.18Å; R199-M241 HydrophobicContact CB-CB 4.2Å
200	F	95.1	Very high	92.9	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-74.9	-29.6	-176.6	-73.6	-57	0	0	0	112.9	L149 I151 N152 V177 R196 Y197 F198 R203 V204	L149-F200 HydrophobicContact CD1-CB 3.91Å; L149-F200 HydrophobicContact CD1-CD2 3.31Å; L149-F200 HydrophobicContact CD1-CE2 4.03Å; L149-F200 HydrophobicContact CD1-CG 3.93Å; I151-F200 HydrophobicContact CD1-CB 4.3Å; N152-F200 WeakPolarHBondContact ND2-CE2 3.35Å; N152-F200 WeakPolarHBondContact ND2-CZ 3.39Å; V177-F200 HydrophobicContact CG1-CB 4.39Å; R196-F200 HydrophobicContact CB-CD2 4.25Å; R196-F200 HydrophobicContact CB-CE2 4.34Å; R196-F200 WeakPolarHBondContact O-CB 3.42Å; R196-F200 WeakPolarHBondContact O-CD2 3.32Å; R196-F200 PolarHBondContact O-N 3.37Å; Y197-F200 PolarHBondContact O-N 3.21Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-F200 PolarHBondContact O-N 3.09Å; F200-R203 PolarHBondContact O-N 3.48Å; F200-R203 VanDerWaalsContact O-N 3.13Å; F200-V204 WeakPolarHBondContact O-CB 3.3Å; F200-V204 PolarHBondContact O-N 2.85Å
201	Y	95.8	Very high	92.8	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-50.1	169.1	-164.6	-77.7	0	0	0	110.2	V177 Y197 F198 R203 V204 S205 K207 A208 E210 H211 L250	V177-Y201 HydrophobicContact CB-CD2 4.38Å; V177-Y201 HydrophobicContact CG2-CD2 4.34Å; Y197-Y201 VanDerWaalsContact O-CB 3.3Å; Y197-Y201 WeakPolarHBondContact O-CB 3.42Å; Y197-Y201 PolarHBondContact O-N 3.27Å; F198-Y201 PolarHBondContact O-N 3.12Å; Y201-R203 PolarHBondContact O-N 3.13Å; Y201-V204 PolarHBondContact O-N 3.29Å; Y201-S205 WeakPolarHBondContact CD1-OG 3.38Å; Y201-S205 WeakPolarHBondContact CD2-OG 3.42Å; Y201-S205 VanDerWaalsContact CE1-CB 3.42Å; Y201-S205 WeakPolarHBondContact CE1-OG 3.37Å; Y201-S205 WeakPolarHBondContact CE2-OG 3.49Å; Y201-S205 WeakPolarHBondContact O-CB 3.46Å; Y201-S205 PolarHBondContact O-N 3.42Å; Y201-S205 PolarHBondContact O-OG 2.97Å; Y201-K207 WeakPolarHBondContact CE1-O 3.46Å; Y201-K207 PolarHBondContact OH-O 2.92Å; Y201-A208 VanDerWaalsContact CE1-O 3.24Å; Y201-A208 WeakPolarHBondContact CE1-O 3.38Å; Y201-E210 VanDerWaalsContact OH-CA 3.31Å; Y201-E210 WeakPolarHBondContact OH-CA 3.34Å; Y201-E210 PolarHBondContact OH-N 3.34Å; Y201-E210 PolarHBondContact OH-O 3.31Å; Y201-H211 AromaticContact CD1-CE1 3.73Å; Y201-H211 AromaticContact CD2-CE1 3.66Å; Y201-H211 AromaticContact CD2-ND1 3.55Å; Y201-H211 AromaticContact CE1-CE1 3.68Å; Y201-H211 AromaticContact CE2-CE1 3.62Å; Y201-H211 AromaticContact CE2-ND1 3.36Å; Y201-H211 WeakPolarHBondContact CE2-ND1 3.36Å; Y201-H211 AromaticContact CG-CE1 3.72Å; Y201-H211 AromaticContact CZ-CE1 3.62Å; Y201-H211 AromaticContact CZ-ND1 3.73Å; Y201-L250 HydrophobicContact CD1-CD2 3.72Å; Y201-L250 HydrophobicContact CE1-CD2 4.45Å; Y201-L250 HydrophobicContact CG-CD2 4.29Å
202	G	93.7	Very high	92.6	Very high	3 Å²	3	38 Å²	38	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-31.4	173.9	0	0	0	0	0	113.9	F198 R199 N245	F198-G202 PolarHBondContact O-N 3.29Å; R199-G202 PolarHBondContact O-N 3.16Å; G202-N245 WeakPolarHBondContact CA-O 3.22Å; G202-N245 WeakPolarHBondContact O-CB 3.47Å; G202-N245 PolarHBondContact O-ND2 3.38Å
203	R	91.4	Very high	92.4	Very high	119 Å²	119	42.4 Å²	42.4	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-75.8	-35.8	179.6	-169.1	175.7	-175.9	119.7	-6.2	113.4	D64 R199 F200 Y201	D64-R203 IonicContact OD1-CZ 3.87Å; D64-R203 IonicContact OD1-NE 2.76Å; D64-R203 PolarHBondContact OD1-NE 3.45Å; D64-R203 IonicContact OD1-NH2 3.88Å; D64-R203 PolarHBondContact OD1-NH2 2.86Å; D64-R203 IonicContact OD2-CZ 2.84Å; D64-R203 IonicContact OD2-NH2 2.7Å; D64-R203 PolarHBondContact OD2-NH2 2.99Å; R199-R203 PolarHBondContact O-N 3.3Å; R199-R203 VanDerWaalsContact O-N 3.09Å; F200-R203 PolarHBondContact O-N 3.48Å; F200-R203 VanDerWaalsContact O-N 3.13Å; Y201-R203 PolarHBondContact O-N 3.13Å
204	V	90.6	Very high	92.3	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-106	-43.2	-169.5	173.5	0	0	0	0	112.3	I151 L172 R175 V177 F200 Y201	I151-V204 HydrophobicContact CD1-CG2 3.78Å; L172-V204 HydrophobicContact CD1-CG1 3.95Å; L172-V204 HydrophobicContact CD1-CG2 4.08Å; R175-V204 HydrophobicContact CB-CG1 4.46Å; R175-V204 VanDerWaalsContact CD-O 3.31Å; R175-V204 WeakPolarHBondContact CD-O 3.49Å; V177-V204 HydrophobicContact CG2-CB 4.34Å; F200-V204 WeakPolarHBondContact O-CB 3.3Å; F200-V204 PolarHBondContact O-N 2.85Å; Y201-V204 PolarHBondContact O-N 3.29Å
205	S	89.4	Confident	92.2	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.049	25%	0.247	C	C	.	.			trans	-69.7	134.1	-171	-56.2	0	0	0	0	112	Y201 K207 H246	Y201-S205 WeakPolarHBondContact CD1-OG 3.38Å; Y201-S205 WeakPolarHBondContact CD2-OG 3.42Å; Y201-S205 VanDerWaalsContact CE1-CB 3.42Å; Y201-S205 WeakPolarHBondContact CE1-OG 3.37Å; Y201-S205 WeakPolarHBondContact CE2-OG 3.49Å; Y201-S205 WeakPolarHBondContact O-CB 3.46Å; Y201-S205 PolarHBondContact O-N 3.42Å; Y201-S205 PolarHBondContact O-OG 2.97Å; S205-K207 WeakPolarHBondContact CB-O 3.19Å; S205-H246 PolarHBondContact O-NE2 3.34Å
206	V	86.4	Confident	92.1	Very high	104 Å²	104	46.3 Å²	46.3	63%	0.63	25%	0.254	S	S	*	.	S	Bend	trans	-81	-37.1	173.7	174.1	0	0	0	0	110.6	R175 H246	R175-V206 HydrophobicContact CG-CG2 3.95Å; V206-H246 PolarHBondContact O-CE1 3.47Å; V206-H246 VanDerWaalsContact O-CE1 3.3Å; V206-H246 PolarHBondContact O-NE2 3.1Å
207	K	86.9	Confident	92.1	Very high	117 Å²	117	47.1 Å²	47.1	51%	0.509	26%	0.261	S	S	.	.	S	Bend	trans	-99.1	143.8	177.9	-64.4	174.6	-176.8	178.2	0	109.6	Y201 S205 E210	Y201-K207 WeakPolarHBondContact CE1-O 3.46Å; Y201-K207 PolarHBondContact OH-O 2.92Å; S205-K207 WeakPolarHBondContact CB-O 3.19Å; K207-E210 HydrophobicContact CB-CG 4.32Å; K207-E210 HydrophobicContact CD-CG 4.06Å; K207-E210 WeakPolarHBondContact CD-OE1 3.41Å; K207-E210 WeakPolarHBondContact CD-OE2 3.37Å; K207-E210 WeakPolarHBondContact CE-OE1 3.15Å; K207-E210 IonicContact NZ-OE1 2.62Å; K207-E210 PolarHBondContact NZ-OE1 2.94Å; K207-E210 IonicContact NZ-OE2 3.66Å
208	A	80.8	Confident	92.1	Very high	27 Å²	27	47.5 Å²	47.5	22%	0.223	26%	0.264	C	S	.	.	S	Bend	trans	-74.8	-35.1	-177.1	0	0	0	0	0	112.9	Y201 H211 H246 H249	Y201-A208 VanDerWaalsContact CE1-O 3.24Å; Y201-A208 WeakPolarHBondContact CE1-O 3.38Å; A208-H211 PolarHBondContact O-NE2 3.32Å; A208-H246 HydrophobicContact CB-CB 4.23Å; A208-H249 VanDerWaalsContact C-CD2 3.49Å; A208-H249 HydrophobicContact CB-CB 3.86Å; A208-H249 PolarHBondContact O-CD2 3.43Å; A208-H249 PolarHBondContact O-NE2 3.44Å
209	A	83.4	Confident	92.1	Very high	72 Å²	72	47.5 Å²	47.5	60%	0.595	26%	0.264	S	S	*	.	S	Bend	trans	-116.5	24.6	-161.5	0	0	0	0	0	115.5
210	E	88.1	Confident	92.2	Very high	123 Å²	123	50.8 Å²	50.8	58%	0.575	28%	0.276	S	S	*	.			trans	-104.6	63.9	177.4	-70.3	-172	176	0	0	110.3	Y201 K207	Y201-E210 VanDerWaalsContact OH-CA 3.31Å; Y201-E210 WeakPolarHBondContact OH-CA 3.34Å; Y201-E210 PolarHBondContact OH-N 3.34Å; Y201-E210 PolarHBondContact OH-O 3.31Å; K207-E210 HydrophobicContact CB-CG 4.32Å; K207-E210 HydrophobicContact CD-CG 4.06Å; K207-E210 WeakPolarHBondContact CD-OE1 3.41Å; K207-E210 WeakPolarHBondContact CD-OE2 3.37Å; K207-E210 WeakPolarHBondContact CE-OE1 3.15Å; K207-E210 IonicContact NZ-OE1 2.62Å; K207-E210 PolarHBondContact NZ-OE1 2.94Å; K207-E210 IonicContact NZ-OE2 3.66Å
211	H	91.7	Very high	92.4	Very high	27 Å²	27	56.1 Å²	56.1	13%	0.125	30%	0.301	C	S	.	.			trans	-83.2	147.4	174.1	-64.7	-79.2	0	0	0	110.3	Y197 Y201 A208 P213 L216 H249	Y197-H211 AromaticContact CE1-ND1 3.66Å; Y197-H211 AromaticContact CZ-ND1 3.65Å; Y197-H211 PolarHBondContact OH-ND1 3.38Å; Y201-H211 AromaticContact CD1-CE1 3.73Å; Y201-H211 AromaticContact CD2-CE1 3.66Å; Y201-H211 AromaticContact CD2-ND1 3.55Å; Y201-H211 AromaticContact CE1-CE1 3.68Å; Y201-H211 AromaticContact CE2-CE1 3.62Å; Y201-H211 AromaticContact CE2-ND1 3.36Å; Y201-H211 WeakPolarHBondContact CE2-ND1 3.36Å; Y201-H211 AromaticContact CG-CE1 3.72Å; Y201-H211 AromaticContact CZ-CE1 3.62Å; Y201-H211 AromaticContact CZ-ND1 3.73Å; A208-H211 PolarHBondContact O-NE2 3.32Å; H211-P213 WeakPolarHBondContact O-CD 3.01Å; H211-L216 HydrophobicContact CB-CD1 3.59Å; H211-L216 HydrophobicContact CB-CD2 3.86Å; H211-L216 HydrophobicContact CB-CG 3.71Å; H211-H249 AromaticContact NE2-CD2 3.97Å; H211-H249 AromaticContact NE2-NE2 3.71Å
212	D	90.9	Very high	92.5	Very high	55 Å²	55	56.4 Å²	56.4	29%	0.294	30%	0.303	S	S	.	.			trans	-71.7	118.9	167.7	171.9	15.8	0	0	0	109.5	Q178 A214 T215 L216	Q178-D212 PolarHBondContact NE2-OD2 3.32Å; D212-A214 VanDerWaalsContact C-N 3.25Å; D212-A214 PolarHBondContact O-N 3.47Å; D212-A214 PolarHBondContact OD1-N 3.13Å; D212-A214 VanDerWaalsContact OD1-N 3.17Å; D212-T215 WeakPolarHBondContact O-CB 3.35Å; D212-T215 PolarHBondContact O-N 2.87Å; D212-T215 VanDerWaalsContact O-N 3.08Å; D212-T215 PolarHBondContact OD2-OG1 2.66Å; D212-L216 PolarHBondContact O-N 3.35Å; D212-L216 VanDerWaalsContact O-N 3.07Å
213	P	93.6	Very high	92.7	Very high	102 Å²	102	56.6 Å²	56.6	66%	0.662	30%	0.304	S	S	*	.	H	α-helix	trans	-56.8	-37	-178	-25.6	35.1	0	0	0	113.5	H211 T215 L216 E217	H211-P213 WeakPolarHBondContact O-CD 3.01Å; P213-T215 VanDerWaalsContact C-N 3.31Å; P213-T215 PolarHBondContact O-N 2.71Å; P213-L216 PolarHBondContact O-N 3.45Å; P213-E217 PolarHBondContact O-N 2.95Å
214	A	94.4	Very high	92.9	Very high	67 Å²	67	54.3 Å²	54.3	55%	0.554	31%	0.306	S	S	*	.	H	α-helix	trans	-66.2	-37.4	179.3	0	0	0	0	0	111.5	D212 E217 A218	D212-A214 VanDerWaalsContact C-N 3.25Å; D212-A214 PolarHBondContact O-N 3.47Å; D212-A214 PolarHBondContact OD1-N 3.13Å; D212-A214 VanDerWaalsContact OD1-N 3.17Å; A214-E217 PolarHBondContact O-N 3.18Å; A214-A218 PolarHBondContact O-N 3.12Å; A214-A218 VanDerWaalsContact O-N 3.07Å
215	T	95.9	Very high	93.2	Very high	4 Å²	4	54.4 Å²	54.4	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-42.1	174.9	-62.7	0	0	0	0	111.4	F179 Y197 D212 P213 E217 A218 I219	F179-T215 HydrophobicContact CD2-CG2 4.1Å; F179-T215 HydrophobicContact CE2-CG2 3.82Å; Y197-T215 HydrophobicContact CD2-CG2 3.88Å; Y197-T215 HydrophobicContact CE1-CG2 4.45Å; Y197-T215 HydrophobicContact CE2-CG2 3.51Å; Y197-T215 HydrophobicContact CG-CG2 4.49Å; D212-T215 WeakPolarHBondContact O-CB 3.35Å; D212-T215 PolarHBondContact O-N 2.87Å; D212-T215 VanDerWaalsContact O-N 3.08Å; D212-T215 PolarHBondContact OD2-OG1 2.66Å; P213-T215 VanDerWaalsContact C-N 3.31Å; P213-T215 PolarHBondContact O-N 2.71Å; T215-E217 VanDerWaalsContact C-N 3.33Å; T215-E217 PolarHBondContact O-N 3.17Å; T215-A218 PolarHBondContact O-N 2.91Å; T215-I219 HydrophobicContact CG2-CD1 4.02Å; T215-I219 VanDerWaalsContact O-CG1 3.29Å; T215-I219 WeakPolarHBondContact O-CG1 3.46Å; T215-I219 PolarHBondContact O-N 3.4Å
216	L	96.8	Very high	93.6	Very high	31 Å²	31	54.1 Å²	54.1	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-65.5	-36.1	176.8	-65.3	-169.1	0	0	0	112.5	Y197 H211 D212 P213 I219 R220 V253 L257	Y197-L216 HydrophobicContact CE1-CD2 4.19Å; H211-L216 HydrophobicContact CB-CD1 3.59Å; H211-L216 HydrophobicContact CB-CD2 3.86Å; H211-L216 HydrophobicContact CB-CG 3.71Å; D212-L216 PolarHBondContact O-N 3.35Å; D212-L216 VanDerWaalsContact O-N 3.07Å; P213-L216 PolarHBondContact O-N 3.45Å; L216-I219 HydrophobicContact CD2-CD1 4.48Å; L216-I219 PolarHBondContact O-N 3.07Å; L216-R220 WeakPolarHBondContact O-CB 3.21Å; L216-R220 PolarHBondContact O-N 3.14Å; L216-V253 HydrophobicContact CD2-CG1 4.39Å; L216-L257 HydrophobicContact CD2-CD1 4.2Å
217	E	97.5	Very high	94.1	Very high	78 Å²	78	52.1 Å²	52.1	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-51.2	174.6	-164.5	61	-115	0	0	111.3	P213 A214 T215 I219 R220 E221	P213-E217 PolarHBondContact O-N 2.95Å; A214-E217 PolarHBondContact O-N 3.18Å; T215-E217 VanDerWaalsContact C-N 3.33Å; T215-E217 PolarHBondContact O-N 3.17Å; E217-I219 PolarHBondContact O-N 3.32Å; E217-R220 WeakPolarHBondContact O-CA 3.37Å; E217-R220 WeakPolarHBondContact O-CB 3.35Å; E217-R220 PolarHBondContact O-N 3.24Å; E217-R220 IonicContact OE1-CZ 3.54Å; E217-R220 IonicContact OE1-NH1 3.76Å; E217-R220 PolarHBondContact OE1-NH1 2.9Å; E217-R220 IonicContact OE2-CZ 3.68Å; E217-R220 IonicContact OE2-NH1 2.99Å; E217-R220 PolarHBondContact OE2-NH1 2.67Å; E217-E221 HydrophobicContact CG-CG 4.43Å; E217-E221 WeakPolarHBondContact O-CG 3.34Å; E217-E221 PolarHBondContact O-N 3.41Å
218	A	97.9	Very high	94.5	Very high	8 Å²	8	50.6 Å²	50.6	7%	0.066	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-38.9	176.8	0	0	0	0	0	112.1	A183 E184 I187 A214 T215 N222	A183-A218 HydrophobicContact CB-CB 4.05Å; E184-A218 HydrophobicContact CB-CB 4.31Å; I187-A218 HydrophobicContact CD1-CB 4.12Å; A214-A218 PolarHBondContact O-N 3.12Å; A214-A218 VanDerWaalsContact O-N 3.07Å; T215-A218 PolarHBondContact O-N 2.91Å; A218-N222 WeakPolarHBondContact O-CB 3.29Å; A218-N222 PolarHBondContact O-N 3.46Å; A218-N222 PolarHBondContact O-ND2 2.88Å
219	I	98.4	Very high	95.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-44.9	174.1	-71.6	168.3	0	0	0	111.4	I187 I194 Y197 F198 T215 L216 E217 N222 A223 L257 L259	I187-I219 HydrophobicContact CD1-CG1 3.74Å; I194-I219 HydrophobicContact CG1-CG1 4.33Å; I194-I219 HydrophobicContact CG1-CG2 4.41Å; I194-I219 HydrophobicContact CG2-CG1 4.41Å; I194-I219 HydrophobicContact CG2-CG2 3.61Å; Y197-I219 HydrophobicContact CD1-CD1 3.48Å; Y197-I219 VanDerWaalsContact CD1-CD1 3.48Å; Y197-I219 HydrophobicContact CE1-CD1 3.86Å; Y197-I219 HydrophobicContact CG-CD1 3.94Å; F198-I219 HydrophobicContact CE2-CD1 4.33Å; F198-I219 HydrophobicContact CE2-CG2 4.25Å; F198-I219 HydrophobicContact CZ-CD1 4.28Å; F198-I219 HydrophobicContact CZ-CG2 4.38Å; T215-I219 HydrophobicContact CG2-CD1 4.02Å; T215-I219 VanDerWaalsContact O-CG1 3.29Å; T215-I219 WeakPolarHBondContact O-CG1 3.46Å; T215-I219 PolarHBondContact O-N 3.4Å; L216-I219 HydrophobicContact CD2-CD1 4.48Å; L216-I219 PolarHBondContact O-N 3.07Å; E217-I219 PolarHBondContact O-N 3.32Å; I219-N222 PolarHBondContact O-N 3.33Å; I219-A223 WeakPolarHBondContact O-CA 3.24Å; I219-A223 PolarHBondContact O-N 3.42Å; I219-L257 HydrophobicContact CG2-CD1 3.84Å; I219-L259 HydrophobicContact CG2-CD1 4Å; I219-L259 HydrophobicContact CG2-CD2 4.21Å
220	R	97.9	Very high	95.9	Very high	101 Å²	101	47.7 Å²	47.7	38%	0.381	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-48.6	-179.3	-169.4	-176.5	-63.1	100.9	-1.4	111.3	L216 E217 N222 A223 L257	L216-R220 WeakPolarHBondContact O-CB 3.21Å; L216-R220 PolarHBondContact O-N 3.14Å; E217-R220 WeakPolarHBondContact O-CA 3.37Å; E217-R220 WeakPolarHBondContact O-CB 3.35Å; E217-R220 PolarHBondContact O-N 3.24Å; E217-R220 IonicContact OE1-CZ 3.54Å; E217-R220 IonicContact OE1-NH1 3.76Å; E217-R220 PolarHBondContact OE1-NH1 2.9Å; E217-R220 IonicContact OE2-CZ 3.68Å; E217-R220 IonicContact OE2-NH1 2.99Å; E217-R220 PolarHBondContact OE2-NH1 2.67Å; R220-N222 PolarHBondContact O-N 3.27Å; R220-A223 VanDerWaalsContact O-CB 3.32Å; R220-A223 WeakPolarHBondContact O-CB 3.22Å; R220-A223 PolarHBondContact O-N 3.02Å; R220-L257 HydrophobicContact CB-CD2 4.11Å; R220-L257 HydrophobicContact CG-CD2 4.45Å; R220-L257 VanDerWaalsContact NH2-CD2 3.34Å
221	E	98.1	Very high	96.3	Very high	120 Å²	120	42.1 Å²	42.1	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-65	-29.9	-177.3	-68.2	178.9	153.8	0	0	112.3	E217	E217-E221 HydrophobicContact CG-CG 4.43Å; E217-E221 WeakPolarHBondContact O-CG 3.34Å; E217-E221 PolarHBondContact O-N 3.41Å
222	N	98	Very high	96.5	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.07	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	7.8	-177.8	-67.8	-84.7	0	0	0	113.9	I187 Q188 Y191 A218 I219 R220 C224 G225	I187-N222 HydrophobicContact CG2-CB 3.48Å; I187-N222 VanDerWaalsContact CG2-CB 3.48Å; Q188-N222 VanDerWaalsContact CG-OD1 3.25Å; Q188-N222 WeakPolarHBondContact CG-OD1 3.29Å; Q188-N222 PolarHBondContact NE2-OD1 3.21Å; Q188-N222 VanDerWaalsContact NE2-OD1 3.14Å; Y191-N222 HydrophobicContact CD1-CB 4.24Å; Y191-N222 WeakPolarHBondContact CD1-O 3.48Å; Y191-N222 HydrophobicContact CE1-CB 4Å; A218-N222 WeakPolarHBondContact O-CB 3.29Å; A218-N222 PolarHBondContact O-N 3.46Å; A218-N222 PolarHBondContact O-ND2 2.88Å; I219-N222 PolarHBondContact O-N 3.33Å; R220-N222 PolarHBondContact O-N 3.27Å; N222-C224 PolarHBondContact O-N 3.35Å; N222-G225 PolarHBondContact O-N 2.66Å; N222-G225 VanDerWaalsContact O-N 3.11Å
223	A	97.6	Very high	96.8	Very high	6 Å²	6	45.3 Å²	45.3	5%	0.05	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-53.4	-40.7	-176.9	0	0	0	0	0	113.3	I219 R220 G225 L226 L259 Y262	I219-A223 WeakPolarHBondContact O-CA 3.24Å; I219-A223 PolarHBondContact O-N 3.42Å; R220-A223 VanDerWaalsContact O-CB 3.32Å; R220-A223 WeakPolarHBondContact O-CB 3.22Å; R220-A223 PolarHBondContact O-N 3.02Å; A223-G225 PolarHBondContact O-N 3.44Å; A223-L226 WeakPolarHBondContact O-CB 3.2Å; A223-L226 PolarHBondContact O-N 2.95Å; A223-L226 VanDerWaalsContact O-N 3.16Å; A223-L259 HydrophobicContact CB-CD2 3.26Å; A223-Y262 HydrophobicContact CB-CD2 4.24Å; A223-Y262 HydrophobicContact CB-CE2 3.95Å; A223-Y262 VanDerWaalsContact O-CD2 3.29Å; A223-Y262 WeakPolarHBondContact O-CD2 3.33Å
224	C	97.3	Very high	97	Very high	72 Å²	72	40.5 Å²	40.5	49%	0.486	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-63.3	-26.1	-176.8	63	0	0	0	0	113.2	N222 L226 A227 Y262	N222-C224 PolarHBondContact O-N 3.35Å; C224-L226 PolarHBondContact O-N 2.94Å; C224-A227 WeakPolarHBondContact O-CB 3.45Å; C224-A227 PolarHBondContact O-N 2.93Å; C224-Y262 HydrophobicContact CB-CE1 4.12Å; C224-Y262 HydrophobicContact CB-CE2 4.38Å
225	G	96.8	Very high	97.2	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.3	-22.1	177.1	0	0	0	0	0	113.6	N222 A223 A227 A228	N222-G225 PolarHBondContact O-N 2.66Å; N222-G225 VanDerWaalsContact O-N 3.11Å; A223-G225 PolarHBondContact O-N 3.44Å; G225-A227 PolarHBondContact O-N 2.96Å; G225-A227 VanDerWaalsContact O-N 3.12Å; G225-A228 WeakPolarHBondContact O-CB 3.41Å; G225-A228 PolarHBondContact O-N 3.49Å
226	L	97.7	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.1	171.7	-73.9	167	0	0	0	112.8	Y191 I194 L195 A223 C224 A228 I229 L259 I263 R308	Y191-L226 VanDerWaalsContact O-CD2 3.27Å; Y191-L226 WeakPolarHBondContact O-CD2 3.27Å; I194-L226 HydrophobicContact CB-CD1 4.38Å; I194-L226 HydrophobicContact CB-CD2 4.46Å; I194-L226 HydrophobicContact CD1-CD1 4.11Å; I194-L226 HydrophobicContact CD1-CG 4.05Å; I194-L226 HydrophobicContact CG2-CD1 4.1Å; L195-L226 HydrophobicContact CD1-CD2 4.38Å; L195-L226 HydrophobicContact CG-CD2 4.15Å; A223-L226 WeakPolarHBondContact O-CB 3.2Å; A223-L226 PolarHBondContact O-N 2.95Å; A223-L226 VanDerWaalsContact O-N 3.16Å; C224-L226 PolarHBondContact O-N 2.94Å; L226-A228 PolarHBondContact O-N 2.84Å; L226-I229 PolarHBondContact O-N 3.22Å; L226-I229 VanDerWaalsContact O-N 3.17Å; L226-L259 HydrophobicContact CD1-CD2 4.3Å; L226-I263 HydrophobicContact CB-CG2 4.34Å; L226-I263 HydrophobicContact CD1-CG2 3.89Å; L226-I263 HydrophobicContact CG-CG2 4.5Å; L226-R308 PolarHBondContact O-NH2 3.02Å
227	A	96.5	Very high	97.3	Very high	62 Å²	62	39.9 Å²	39.9	51%	0.512	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-62	-29	174.7	0	0	0	0	0	112.8	C224 G225 Y262	C224-A227 WeakPolarHBondContact O-CB 3.45Å; C224-A227 PolarHBondContact O-N 2.93Å; G225-A227 PolarHBondContact O-N 2.96Å; G225-A227 VanDerWaalsContact O-N 3.12Å; A227-Y262 HydrophobicContact CB-CD1 4.09Å
228	A	95.1	Very high	97.3	Very high	86 Å²	86	36.2 Å²	36.2	71%	0.711	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-80.3	-16.4	178.2	0	0	0	0	0	113.1	G225 L226	G225-A228 WeakPolarHBondContact O-CB 3.41Å; G225-A228 PolarHBondContact O-N 3.49Å; L226-A228 PolarHBondContact O-N 2.84Å
229	I	96.3	Very high	97.2	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.051	22%	0.218	C	C	.	.	S	Bend	trans	-81	136	-177.6	-54.1	-60.7	0	0	0	110.6	L192 L226 R233 I234 R308	L192-I229 HydrophobicContact CB-CG2 4.25Å; L192-I229 HydrophobicContact CD1-CG2 4.01Å; L226-I229 PolarHBondContact O-N 3.22Å; L226-I229 VanDerWaalsContact O-N 3.17Å; I229-R233 HydrophobicContact CG2-CB 3.99Å; I229-I234 HydrophobicContact CB-CD1 4.09Å; I229-I234 HydrophobicContact CB-CG1 4.23Å; I229-I234 HydrophobicContact CG2-CD1 4.27Å; I229-I234 HydrophobicContact CG2-CG1 3.9Å; I229-R308 PolarHBondContact O-NH1 3.35Å; I229-R308 VanDerWaalsContact O-NH1 3.07Å; I229-R308 PolarHBondContact O-NH2 2.65Å
230	S	96.4	Very high	97.1	Very high	28 Å²	28	44.3 Å²	44.3	20%	0.196	24%	0.243	C	C	.	.			trans	-59.7	145.4	179.8	98.6	0	0	0	0	111.9	E232 R233 I234	S230-E232 VanDerWaalsContact C-N 3.27Å; S230-E232 VanDerWaalsContact CB-OE2 3.3Å; S230-E232 WeakPolarHBondContact CB-OE2 3.4Å; S230-E232 PolarHBondContact O-N 3.41Å; S230-E232 PolarHBondContact OG-OE2 2.71Å; S230-R233 PolarHBondContact O-N 3.4Å; S230-I234 PolarHBondContact O-N 3.44Å
231	G	97.4	Very high	97	Very high	5 Å²	5	39.7 Å²	39.7	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-39.7	-177.5	0	0	0	0	0	113.2	R233 I234 W235 R308 L309	G231-R233 PolarHBondContact O-N 2.95Å; G231-I234 PolarHBondContact O-N 2.83Å; G231-W235 WeakPolarHBondContact O-CB 3.5Å; G231-W235 PolarHBondContact O-N 3.3Å; G231-R308 VanDerWaalsContact CA-NH1 3.33Å; G231-R308 WeakPolarHBondContact CA-O 3.46Å; G231-L309 CarbonylContact C-O 3.43Å; G231-L309 VanDerWaalsContact C-O 3.28Å
232	E	96.6	Very high	96.9	Very high	97 Å²	97	34 Å²	34	45%	0.453	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-42.2	-178.4	-53.8	81.6	177.2	0	0	111.3	S230 W235 V236 K310	S230-E232 VanDerWaalsContact C-N 3.27Å; S230-E232 VanDerWaalsContact CB-OE2 3.3Å; S230-E232 WeakPolarHBondContact CB-OE2 3.4Å; S230-E232 PolarHBondContact O-N 3.41Å; S230-E232 PolarHBondContact OG-OE2 2.71Å; E232-W235 PolarHBondContact O-N 3.14Å; E232-V236 WeakPolarHBondContact O-CG2 3.47Å; E232-V236 PolarHBondContact O-N 3.41Å; E232-K310 HydrophobicContact CG-CB 4.26Å; E232-K310 WeakPolarHBondContact OE1-CG 3.26Å
233	R	96.8	Very high	96.6	Very high	53 Å²	53	36.8 Å²	36.8	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-44.1	177.4	-72.4	-178	75.6	-149.6	-1.6	111	G129 D190 L192 I229 S230 G231 W235 E237	G129-R233 PolarHBondContact O-NH2 3.38Å; D190-R233 IonicContact OD1-CZ 2.77Å; D190-R233 IonicContact OD1-NH1 2.7Å; D190-R233 IonicContact OD1-NH2 3.53Å; D190-R233 PolarHBondContact OD1-NH2 3.05Å; D190-R233 IonicContact OD2-CZ 2.64Å; D190-R233 IonicContact OD2-NH2 3.77Å; D190-R233 PolarHBondContact OD2-NH2 3.44Å; L192-R233 HydrophobicContact CD1-CB 4.25Å; L192-R233 HydrophobicContact CD2-CB 4.02Å; I229-R233 HydrophobicContact CG2-CB 3.99Å; S230-R233 PolarHBondContact O-N 3.4Å; G231-R233 PolarHBondContact O-N 2.95Å; R233-W235 VanDerWaalsContact C-N 3.34Å; R233-E237 PolarHBondContact O-N 3.11Å
234	I	98.2	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-46.2	174.2	-72.5	165.5	0	0	0	110.4	L192 L195 I229 S230 G231 V236 E237 L238 I263 L309	L192-I234 HydrophobicContact CD1-CG1 4.29Å; L195-I234 HydrophobicContact CD1-CB 4.08Å; L195-I234 HydrophobicContact CD1-CG1 3.94Å; L195-I234 HydrophobicContact CD1-CG2 3.72Å; I229-I234 HydrophobicContact CB-CD1 4.09Å; I229-I234 HydrophobicContact CB-CG1 4.23Å; I229-I234 HydrophobicContact CG2-CD1 4.27Å; I229-I234 HydrophobicContact CG2-CG1 3.9Å; S230-I234 PolarHBondContact O-N 3.44Å; G231-I234 PolarHBondContact O-N 2.83Å; I234-V236 VanDerWaalsContact C-N 3.33Å; I234-V236 PolarHBondContact O-N 3.21Å; I234-E237 PolarHBondContact O-N 2.95Å; I234-L238 WeakPolarHBondContact O-CB 3.37Å; I234-L238 PolarHBondContact O-N 3.34Å; I234-I263 HydrophobicContact CD1-CG2 4.38Å; I234-I263 HydrophobicContact CG2-CB 3.84Å; I234-I263 HydrophobicContact CG2-CG2 4.08Å; I234-L309 HydrophobicContact CB-CD2 3.94Å; I234-L309 HydrophobicContact CG2-CD2 3.44Å; I234-L309 VanDerWaalsContact CG2-CD2 3.44Å
235	W	98.3	Very high	96.1	Very high	10 Å²	10	39 Å²	39	4%	0.038	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-40.2	-176.6	-174.8	-138.5	0	0	0	112.5	G231 E232 R233 E237 L238 K239 P288 V289 L292 L309 V311 E315	G231-W235 WeakPolarHBondContact O-CB 3.5Å; G231-W235 PolarHBondContact O-N 3.3Å; E232-W235 PolarHBondContact O-N 3.14Å; R233-W235 VanDerWaalsContact C-N 3.34Å; W235-E237 VanDerWaalsContact C-N 3.34Å; W235-E237 PolarHBondContact O-N 2.98Å; W235-L238 HydrophobicContact CE3-CB 4.26Å; W235-L238 HydrophobicContact CE3-CD2 4.11Å; W235-L238 HydrophobicContact CE3-CG 4.39Å; W235-L238 HydrophobicContact CZ3-CD2 4.08Å; W235-L238 HydrophobicContact CZ3-CG 4.32Å; W235-L238 PolarHBondContact O-N 2.86Å; W235-K239 VanDerWaalsContact CD1-CE 3.5Å; W235-K239 HydrophobicContact CD2-CD 4.03Å; W235-K239 HydrophobicContact CD2-CG 3.65Å; W235-K239 VanDerWaalsContact CE2-CG 3.44Å; W235-K239 HydrophobicContact CE3-CG 3.84Å; W235-K239 HydrophobicContact CG-CG 4.38Å; W235-K239 HydrophobicContact CH2-CD 4.2Å; W235-K239 HydrophobicContact CH2-CG 3.64Å; W235-K239 HydrophobicContact CZ2-CD 3.5Å; W235-K239 VanDerWaalsContact CZ2-CD 3.5Å; W235-K239 HydrophobicContact CZ2-CG 3.44Å; W235-K239 VanDerWaalsContact CZ2-CG 3.44Å; W235-K239 HydrophobicContact CZ3-CG 3.84Å; W235-K239 WeakPolarHBondContact O-CB 3.42Å; W235-K239 VanDerWaalsContact O-CG 3.31Å; W235-K239 WeakPolarHBondContact O-CG 3.13Å; W235-K239 PolarHBondContact O-N 3.36Å; W235-P288 HydrophobicContact CH2-CB 4.11Å; W235-V289 HydrophobicContact CH2-CG2 3.94Å; W235-V289 HydrophobicContact CZ2-CG2 4.04Å; W235-L292 HydrophobicContact CH2-CD1 3.88Å; W235-L292 HydrophobicContact CZ3-CD1 3.52Å; W235-L309 HydrophobicContact CB-CB 4.28Å; W235-L309 HydrophobicContact CD2-CD1 4.49Å; W235-L309 HydrophobicContact CE3-CD1 3.78Å; W235-L309 HydrophobicContact CZ3-CD1 4.32Å; W235-V311 HydrophobicContact CD2-CG1 3.88Å; W235-V311 HydrophobicContact CE3-CG1 4.41Å; W235-V311 HydrophobicContact CG-CG1 4.18Å; W235-V311 HydrophobicContact CZ2-CG1 4Å; W235-E315 HydrophobicContact CZ2-CG 4.2Å; W235-E315 WeakPolarHBondContact CZ2-OE1 3.36Å; W235-E315 VanDerWaalsContact NE1-CD 3.3Å; W235-E315 PolarHBondContact NE1-OE1 3.32Å; W235-E315 VanDerWaalsContact NE1-OE1 3.12Å; W235-E315 PolarHBondContact NE1-OE2 2.93Å
236	V	96.9	Very high	95.9	Very high	69 Å²	69	40.6 Å²	40.6	42%	0.418	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-44.6	175.8	169.2	0	0	0	0	111.7	E232 I234 K240	E232-V236 WeakPolarHBondContact O-CG2 3.47Å; E232-V236 PolarHBondContact O-N 3.41Å; I234-V236 VanDerWaalsContact C-N 3.33Å; I234-V236 PolarHBondContact O-N 3.21Å; V236-K240 WeakPolarHBondContact O-CG 3.4Å; V236-K240 PolarHBondContact O-N 3.03Å
237	E	97.7	Very high	95.7	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-44.3	179.6	-67.8	-61.6	162.9	0	0	111.9	L192 L195 R196 R199 R233 I234 W235 K239 K240 M241	L192-E237 HydrophobicContact CD1-CB 4.42Å; L192-E237 HydrophobicContact CD1-CG 3.88Å; L192-E237 HydrophobicContact CD2-CG 4.17Å; L192-E237 HydrophobicContact CG-CG 4.05Å; L195-E237 HydrophobicContact CB-CB 3.83Å; L195-E237 HydrophobicContact CB-CG 4.45Å; L195-E237 HydrophobicContact CD1-CB 4.35Å; R196-E237 HydrophobicContact CG-CG 4.12Å; R196-E237 IonicContact NH1-OE1 3.12Å; R199-E237 WeakPolarHBondContact CD-OE2 3.49Å; R199-E237 IonicContact CZ-OE1 2.87Å; R199-E237 IonicContact CZ-OE2 2.71Å; R199-E237 IonicContact NE-OE2 3.65Å; R199-E237 PolarHBondContact NE-OE2 2.79Å; R199-E237 IonicContact NH1-OE1 2.73Å; R199-E237 PolarHBondContact NH1-OE1 3.05Å; R199-E237 IonicContact NH1-OE2 3.13Å; R199-E237 PolarHBondContact NH1-OE2 3.26Å; R199-E237 IonicContact NH2-OE1 3.78Å; R199-E237 IonicContact NH2-OE2 2.68Å; R233-E237 PolarHBondContact O-N 3.11Å; I234-E237 PolarHBondContact O-N 2.95Å; W235-E237 VanDerWaalsContact C-N 3.34Å; W235-E237 PolarHBondContact O-N 2.98Å; E237-K239 PolarHBondContact O-N 3.08Å; E237-K240 PolarHBondContact O-N 3.48Å; E237-M241 WeakPolarHBondContact O-CB 3.31Å; E237-M241 PolarHBondContact O-N 3.43Å
238	L	97.6	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-46.6	178.7	-175.3	58.1	0	0	0	111	I234 W235 K240 M241 V242 L251 L265 L292 L309	I234-L238 WeakPolarHBondContact O-CB 3.37Å; I234-L238 PolarHBondContact O-N 3.34Å; W235-L238 HydrophobicContact CE3-CB 4.26Å; W235-L238 HydrophobicContact CE3-CD2 4.11Å; W235-L238 HydrophobicContact CE3-CG 4.39Å; W235-L238 HydrophobicContact CZ3-CD2 4.08Å; W235-L238 HydrophobicContact CZ3-CG 4.32Å; W235-L238 PolarHBondContact O-N 2.86Å; L238-K240 PolarHBondContact O-N 2.87Å; L238-M241 HydrophobicContact CD1-CE 3.55Å; L238-M241 PolarHBondContact O-N 2.72Å; L238-M241 VanDerWaalsContact O-N 3.16Å; L238-V242 HydrophobicContact CD1-CG1 3.75Å; L238-V242 HydrophobicContact CG-CG1 4.25Å; L238-V242 WeakPolarHBondContact O-CG1 3.4Å; L238-V242 WeakPolarHBondContact O-CG2 3.17Å; L238-V242 PolarHBondContact O-N 2.72Å; L238-L251 HydrophobicContact CD1-CD2 4.43Å; L238-L265 HydrophobicContact CD2-CD2 4.39Å; L238-L292 HydrophobicContact CD2-CD1 4.08Å; L238-L292 HydrophobicContact CG-CD1 4.34Å; L238-L309 HydrophobicContact CD2-CD1 4.05Å
239	K	96.4	Very high	95.6	Very high	59 Å²	59	36.3 Å²	36.3	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-56.2	-47.2	177.1	-80.9	-163.3	-79.3	-167	0	113.3	W235 E237 M241 V243 P288 E315	W235-K239 VanDerWaalsContact CD1-CE 3.5Å; W235-K239 HydrophobicContact CD2-CD 4.03Å; W235-K239 HydrophobicContact CD2-CG 3.65Å; W235-K239 VanDerWaalsContact CE2-CG 3.44Å; W235-K239 HydrophobicContact CE3-CG 3.84Å; W235-K239 HydrophobicContact CG-CG 4.38Å; W235-K239 HydrophobicContact CH2-CD 4.2Å; W235-K239 HydrophobicContact CH2-CG 3.64Å; W235-K239 HydrophobicContact CZ2-CD 3.5Å; W235-K239 VanDerWaalsContact CZ2-CD 3.5Å; W235-K239 HydrophobicContact CZ2-CG 3.44Å; W235-K239 VanDerWaalsContact CZ2-CG 3.44Å; W235-K239 HydrophobicContact CZ3-CG 3.84Å; W235-K239 WeakPolarHBondContact O-CB 3.42Å; W235-K239 VanDerWaalsContact O-CG 3.31Å; W235-K239 WeakPolarHBondContact O-CG 3.13Å; W235-K239 PolarHBondContact O-N 3.36Å; E237-K239 PolarHBondContact O-N 3.08Å; K239-M241 VanDerWaalsContact C-N 3.27Å; K239-M241 PolarHBondContact O-N 3.5Å; K239-V243 WeakPolarHBondContact O-CG2 3.35Å; K239-P288 HydrophobicContact CB-CB 4.28Å; K239-P288 HydrophobicContact CB-CG 3.98Å; K239-P288 HydrophobicContact CD-CB 4.37Å; K239-P288 HydrophobicContact CD-CG 3.97Å; K239-P288 HydrophobicContact CG-CB 3.8Å; K239-P288 HydrophobicContact CG-CG 3.76Å; K239-E315 VanDerWaalsContact CD-OE1 3.31Å; K239-E315 WeakPolarHBondContact CD-OE1 3.46Å; K239-E315 IonicContact NZ-OE1 3.85Å; K239-E315 PolarHBondContact NZ-OE1 3.25Å
240	K	95.5	Very high	95.6	Very high	119 Å²	119	35.8 Å²	35.8	52%	0.517	19%	0.187	S	C	.	.	H	α-helix	trans	-65.8	-33.5	-179.4	-71.8	177.6	178.5	-175.8	0	111.6	R199 V236 E237 L238	R199-K240 HydrophobicContact CG-CB 4.18Å; V236-K240 WeakPolarHBondContact O-CG 3.4Å; V236-K240 PolarHBondContact O-N 3.03Å; E237-K240 PolarHBondContact O-N 3.48Å; L238-K240 PolarHBondContact O-N 2.87Å
241	M	95.9	Very high	95.6	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-76.9	-44.5	-179.4	179.3	-94.4	-69.7	0	0	112.4	F198 R199 E237 L238 K239 V243 G244 A247 L250 L251 M254	F198-M241 HydrophobicContact CB-CG 4.32Å; R199-M241 HydrophobicContact CB-CB 4.2Å; E237-M241 WeakPolarHBondContact O-CB 3.31Å; E237-M241 PolarHBondContact O-N 3.43Å; L238-M241 HydrophobicContact CD1-CE 3.55Å; L238-M241 PolarHBondContact O-N 2.72Å; L238-M241 VanDerWaalsContact O-N 3.16Å; K239-M241 VanDerWaalsContact C-N 3.27Å; K239-M241 PolarHBondContact O-N 3.5Å; M241-V243 VanDerWaalsContact C-N 3.27Å; M241-V243 PolarHBondContact O-N 2.95Å; M241-G244 PolarHBondContact O-N 3.18Å; M241-A247 WeakPolarHBondContact O-CB 3.5Å; M241-L250 HydrophobicContact CG-CD1 4.18Å; M241-L250 HydrophobicContact SD-CB 4.18Å; M241-L251 HydrophobicContact CE-CD2 4.24Å; M241-L251 HydrophobicContact SD-CG 4.45Å; M241-M254 HydrophobicContact CE-CE 4.05Å; M241-M254 HydrophobicContact CE-SD 3.26Å; M241-M254 WeakPolarHBondContact CE-SD 3.2Å; M241-M254 HydrophobicContact SD-SD 4.42Å
242	V	95	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.1	-21.3	-173.9	-61	0	0	0	0	114.7	L238 A247 L251 P288 L292	L238-V242 HydrophobicContact CD1-CG1 3.75Å; L238-V242 HydrophobicContact CG-CG1 4.25Å; L238-V242 WeakPolarHBondContact O-CG1 3.4Å; L238-V242 WeakPolarHBondContact O-CG2 3.17Å; L238-V242 PolarHBondContact O-N 2.72Å; V242-A247 VanDerWaalsContact O-CB 3.3Å; V242-A247 WeakPolarHBondContact O-CB 3.21Å; V242-L251 HydrophobicContact CG1-CD1 4.07Å; V242-L251 HydrophobicContact CG1-CD2 4.23Å; V242-L251 HydrophobicContact CG1-CG 4.41Å; V242-P288 HydrophobicContact CG2-CB 3.61Å; V242-P288 HydrophobicContact CG2-CG 4.47Å; V242-L292 HydrophobicContact CG1-CD2 3.91Å; V242-L292 HydrophobicContact CG1-CG 4.31Å
243	V	92.9	Very high	95.5	Very high	71 Å²	71	33.2 Å²	33.2	43%	0.43	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.9	172.7	-54.1	0	0	0	0	112.5	K239 M241 P286 P288	K239-V243 WeakPolarHBondContact O-CG2 3.35Å; M241-V243 VanDerWaalsContact C-N 3.27Å; M241-V243 PolarHBondContact O-N 2.95Å; V243-P286 WeakPolarHBondContact CG1-O 3.37Å; V243-P288 HydrophobicContact CG1-CB 4.28Å; V243-P288 HydrophobicContact CG1-CG 3.78Å
244	G	92.2	Very high	95.5	Very high	25 Å²	25	30.8 Å²	30.8	26%	0.258	16%	0.161	S	C	.	.	S	Bend	trans	-86.9	178.8	176.9	0	0	0	0	0	112.7	M241	M241-G244 PolarHBondContact O-N 3.18Å
245	N	91.3	Very high	95.5	Very high	101 Å²	101	32.4 Å²	32.4	54%	0.54	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	151.9	176.1	-48.2	-42.1	0	0	0	110.8	G202 A247	G202-N245 WeakPolarHBondContact CA-O 3.22Å; G202-N245 WeakPolarHBondContact O-CB 3.47Å; G202-N245 PolarHBondContact O-ND2 3.38Å; N245-A247 PolarHBondContact O-N 3.11Å; N245-A247 VanDerWaalsContact O-N 3.1Å
246	H	93	Very high	95.4	Very high	42 Å²	42	37.6 Å²	37.6	19%	0.194	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	14.8	176.8	-48.1	-58.3	0	0	0	114.9	S205 V206 A208 A248 H249 L250	S205-H246 PolarHBondContact O-NE2 3.34Å; V206-H246 PolarHBondContact O-CE1 3.47Å; V206-H246 VanDerWaalsContact O-CE1 3.3Å; V206-H246 PolarHBondContact O-NE2 3.1Å; A208-H246 HydrophobicContact CB-CB 4.23Å; H246-A248 PolarHBondContact O-N 3.15Å; H246-A248 VanDerWaalsContact O-N 3.13Å; H246-H249 WeakPolarHBondContact O-CA 3.45Å; H246-H249 WeakPolarHBondContact O-CB 3.34Å; H246-H249 PolarHBondContact O-N 3Å; H246-L250 HydrophobicContact CB-CD1 4.45Å; H246-L250 HydrophobicContact CB-CG 4.34Å; H246-L250 WeakPolarHBondContact O-CG 3.2Å; H246-L250 PolarHBondContact O-N 3.47Å
247	A	94.2	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.5	-38.3	-172.4	0	0	0	0	0	113.5	M241 V242 N245 H249 L250 L251	M241-A247 WeakPolarHBondContact O-CB 3.5Å; V242-A247 VanDerWaalsContact O-CB 3.3Å; V242-A247 WeakPolarHBondContact O-CB 3.21Å; N245-A247 PolarHBondContact O-N 3.11Å; N245-A247 VanDerWaalsContact O-N 3.1Å; A247-H249 VanDerWaalsContact C-N 3.33Å; A247-H249 PolarHBondContact O-N 3.03Å; A247-L250 PolarHBondContact O-N 3.39Å; A247-L251 WeakPolarHBondContact O-CB 3.12Å; A247-L251 WeakPolarHBondContact O-CG 3.47Å; A247-L251 PolarHBondContact O-N 2.91Å
248	A	93.9	Very high	95.4	Very high	9 Å²	9	35.8 Å²	35.8	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-43.1	174.8	0	0	0	0	0	113	H246 K252 M274 K275 W278	H246-A248 PolarHBondContact O-N 3.15Å; H246-A248 VanDerWaalsContact O-N 3.13Å; A248-K252 PolarHBondContact O-N 2.94Å; A248-K252 VanDerWaalsContact O-N 3.17Å; A248-M274 HydrophobicContact CB-SD 4.14Å; A248-K275 HydrophobicContact CB-CG 4.2Å; A248-W278 HydrophobicContact CB-CB 3.81Å; A248-W278 HydrophobicContact CB-CD2 3.77Å; A248-W278 HydrophobicContact CB-CE3 3.9Å; A248-W278 HydrophobicContact CB-CG 3.73Å
249	H	95	Very high	95.4	Very high	48 Å²	48	35.8 Å²	35.8	22%	0.222	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-46	176.1	-178.5	77.8	0	0	0	111.3	A208 H211 H246 A247 L251 K252 V253	A208-H249 VanDerWaalsContact C-CD2 3.49Å; A208-H249 HydrophobicContact CB-CB 3.86Å; A208-H249 PolarHBondContact O-CD2 3.43Å; A208-H249 PolarHBondContact O-NE2 3.44Å; H211-H249 AromaticContact NE2-CD2 3.97Å; H211-H249 AromaticContact NE2-NE2 3.71Å; H246-H249 WeakPolarHBondContact O-CA 3.45Å; H246-H249 WeakPolarHBondContact O-CB 3.34Å; H246-H249 PolarHBondContact O-N 3Å; A247-H249 VanDerWaalsContact C-N 3.33Å; A247-H249 PolarHBondContact O-N 3.03Å; H249-L251 PolarHBondContact O-N 2.84Å; H249-K252 WeakPolarHBondContact O-CB 3.43Å; H249-K252 PolarHBondContact O-N 3.39Å; H249-K252 VanDerWaalsContact O-N 3.14Å; H249-V253 WeakPolarHBondContact NE2-CG2 3.32Å; H249-V253 WeakPolarHBondContact O-CG2 3.13Å; H249-V253 PolarHBondContact O-N 3.3Å
250	L	96.3	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-43.8	-177.8	-59.9	172.3	0	0	0	111.3	F198 Y201 M241 H246 A247 K252 V253 M254	F198-L250 HydrophobicContact CD1-CB 4.38Å; F198-L250 HydrophobicContact CD1-CD2 4.1Å; F198-L250 WeakPolarHBondContact O-CD1 3.45Å; Y201-L250 HydrophobicContact CD1-CD2 3.72Å; Y201-L250 HydrophobicContact CE1-CD2 4.45Å; Y201-L250 HydrophobicContact CG-CD2 4.29Å; M241-L250 HydrophobicContact CG-CD1 4.18Å; M241-L250 HydrophobicContact SD-CB 4.18Å; H246-L250 HydrophobicContact CB-CD1 4.45Å; H246-L250 HydrophobicContact CB-CG 4.34Å; H246-L250 WeakPolarHBondContact O-CG 3.2Å; H246-L250 PolarHBondContact O-N 3.47Å; A247-L250 PolarHBondContact O-N 3.39Å; L250-K252 VanDerWaalsContact C-N 3.34Å; L250-K252 PolarHBondContact O-N 2.97Å; L250-V253 PolarHBondContact O-N 2.7Å; L250-M254 VanDerWaalsContact O-CG 3.22Å; L250-M254 WeakPolarHBondContact O-CG 3.42Å; L250-M254 PolarHBondContact O-N 2.88Å
251	L	96	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-44.6	173.4	-76.7	171.7	0	0	0	111.2	L238 M241 V242 A247 H249 V253 M254 Y255 L265 M274 V291 L292	L238-L251 HydrophobicContact CD1-CD2 4.43Å; M241-L251 HydrophobicContact CE-CD2 4.24Å; M241-L251 HydrophobicContact SD-CG 4.45Å; V242-L251 HydrophobicContact CG1-CD1 4.07Å; V242-L251 HydrophobicContact CG1-CD2 4.23Å; V242-L251 HydrophobicContact CG1-CG 4.41Å; A247-L251 WeakPolarHBondContact O-CB 3.12Å; A247-L251 WeakPolarHBondContact O-CG 3.47Å; A247-L251 PolarHBondContact O-N 2.91Å; H249-L251 PolarHBondContact O-N 2.84Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.33Å; L251-M254 HydrophobicContact CD2-SD 4.44Å; L251-M254 WeakPolarHBondContact O-CB 3.41Å; L251-M254 PolarHBondContact O-N 3.06Å; L251-M254 VanDerWaalsContact O-N 3.16Å; L251-Y255 WeakPolarHBondContact O-CD2 3.38Å; L251-Y255 PolarHBondContact O-N 3.45Å; L251-L265 HydrophobicContact CD2-CD1 4.22Å; L251-M274 HydrophobicContact CB-CE 3.61Å; L251-M274 HydrophobicContact CB-SD 4.16Å; L251-M274 HydrophobicContact CD1-CE 4.17Å; L251-M274 HydrophobicContact CD1-CG 4.04Å; L251-M274 HydrophobicContact CD1-SD 3.63Å; L251-V291 HydrophobicContact CD1-CG1 4.44Å; L251-L292 HydrophobicContact CD1-CD2 4.48Å
252	K	96.3	Very high	95.4	Very high	67 Å²	67	35.5 Å²	35.5	29%	0.291	19%	0.187	S	C	.	.	H	α-helix	trans	-55.6	-48.8	174.9	-173.5	-165.3	-172.3	-114.9	0	111.6	A248 H249 L250 M254 Y255 E256 V271	A248-K252 PolarHBondContact O-N 2.94Å; A248-K252 VanDerWaalsContact O-N 3.17Å; H249-K252 WeakPolarHBondContact O-CB 3.43Å; H249-K252 PolarHBondContact O-N 3.39Å; H249-K252 VanDerWaalsContact O-N 3.14Å; L250-K252 VanDerWaalsContact C-N 3.34Å; L250-K252 PolarHBondContact O-N 2.97Å; K252-M254 VanDerWaalsContact C-N 3.32Å; K252-M254 PolarHBondContact O-N 3.01Å; K252-Y255 WeakPolarHBondContact O-CB 3.5Å; K252-Y255 PolarHBondContact O-N 2.84Å; K252-Y255 VanDerWaalsContact O-N 3.16Å; K252-E256 WeakPolarHBondContact CE-OE1 3.27Å; K252-E256 IonicContact NZ-OE1 3.42Å; K252-E256 PolarHBondContact NZ-OE1 3.04Å; K252-E256 WeakPolarHBondContact O-CG 3.26Å; K252-E256 PolarHBondContact O-N 3.37Å; K252-V271 HydrophobicContact CB-CG1 4.04Å; K252-V271 HydrophobicContact CG-CG1 3.98Å
253	V	96.9	Very high	95.5	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.048	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-42.1	177.9	174.3	0	0	0	0	110.8	F198 L216 H249 L250 L251 Y255 E256 L257	F198-V253 HydrophobicContact CE1-CB 4.35Å; F198-V253 HydrophobicContact CE1-CG1 3.82Å; F198-V253 HydrophobicContact CZ-CG1 4.29Å; L216-V253 HydrophobicContact CD2-CG1 4.39Å; H249-V253 WeakPolarHBondContact NE2-CG2 3.32Å; H249-V253 WeakPolarHBondContact O-CG2 3.13Å; H249-V253 PolarHBondContact O-N 3.3Å; L250-V253 PolarHBondContact O-N 2.7Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.33Å; V253-Y255 VanDerWaalsContact C-N 3.29Å; V253-Y255 PolarHBondContact O-N 3.19Å; V253-E256 PolarHBondContact O-N 3.49Å; V253-E256 VanDerWaalsContact O-N 3.17Å; V253-L257 HydrophobicContact CG1-CD1 3.81Å; V253-L257 HydrophobicContact CG1-CG 4.23Å; V253-L257 VanDerWaalsContact O-CG 3.26Å; V253-L257 WeakPolarHBondContact O-CG 3.46Å; V253-L257 PolarHBondContact O-N 2.86Å
254	M	97.3	Very high	95.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-35	176.9	-67.2	175.7	69.5	0	0	113	L195 F198 M241 L250 L251 K252 G258 L259 I263	L195-M254 HydrophobicContact CD2-CE 3.38Å; F198-M254 HydrophobicContact CB-SD 4.49Å; F198-M254 HydrophobicContact CD1-CG 4.09Å; F198-M254 HydrophobicContact CD2-CE 4.49Å; F198-M254 HydrophobicContact CD2-CG 3.83Å; F198-M254 HydrophobicContact CD2-SD 4.05Å; F198-M254 HydrophobicContact CE1-CG 4.01Å; F198-M254 HydrophobicContact CE2-CG 3.76Å; F198-M254 HydrophobicContact CG-CG 4.03Å; F198-M254 HydrophobicContact CG-SD 4.13Å; F198-M254 HydrophobicContact CZ-CG 3.86Å; M241-M254 HydrophobicContact CE-CE 4.05Å; M241-M254 HydrophobicContact CE-SD 3.26Å; M241-M254 WeakPolarHBondContact CE-SD 3.2Å; M241-M254 HydrophobicContact SD-SD 4.42Å; L250-M254 VanDerWaalsContact O-CG 3.22Å; L250-M254 WeakPolarHBondContact O-CG 3.42Å; L250-M254 PolarHBondContact O-N 2.88Å; L251-M254 HydrophobicContact CD2-SD 4.44Å; L251-M254 WeakPolarHBondContact O-CB 3.41Å; L251-M254 PolarHBondContact O-N 3.06Å; L251-M254 VanDerWaalsContact O-N 3.16Å; K252-M254 VanDerWaalsContact C-N 3.32Å; K252-M254 PolarHBondContact O-N 3.01Å; M254-G258 PolarHBondContact O-N 3.3Å; M254-L259 HydrophobicContact CB-CB 4.26Å; M254-L259 HydrophobicContact CB-CD1 4.17Å; M254-L259 HydrophobicContact CB-CG 4.46Å; M254-L259 HydrophobicContact CE-CB 4.46Å; M254-L259 HydrophobicContact CE-CD1 4.25Å; M254-L259 HydrophobicContact CG-CD1 4.01Å; M254-L259 WeakPolarHBondContact O-CB 3.33Å; M254-L259 PolarHBondContact O-N 2.93Å; M254-I263 HydrophobicContact CE-CD1 3.24Å
255	Y	97.2	Very high	95.9	Very high	34 Å²	34	32 Å²	32	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-44.7	172.1	-91.1	-90.8	0	0	0	111.8	L251 K252 V253 L257 G258 A260 L265 P266 V271 L295	L251-Y255 WeakPolarHBondContact O-CD2 3.38Å; L251-Y255 PolarHBondContact O-N 3.45Å; K252-Y255 WeakPolarHBondContact O-CB 3.5Å; K252-Y255 PolarHBondContact O-N 2.84Å; K252-Y255 VanDerWaalsContact O-N 3.16Å; V253-Y255 VanDerWaalsContact C-N 3.29Å; V253-Y255 PolarHBondContact O-N 3.19Å; Y255-L257 PolarHBondContact O-N 3.37Å; Y255-G258 PolarHBondContact O-N 3.41Å; Y255-A260 HydrophobicContact CD1-CB 3.92Å; Y255-A260 HydrophobicContact CD2-CB 4.37Å; Y255-A260 HydrophobicContact CE1-CB 3.62Å; Y255-A260 HydrophobicContact CE2-CB 4.11Å; Y255-A260 HydrophobicContact CG-CB 4.28Å; Y255-L265 HydrophobicContact CE2-CD1 4.37Å; Y255-P266 WeakPolarHBondContact CE1-O 3.4Å; Y255-P266 PolarHBondContact OH-O 2.76Å; Y255-V271 HydrophobicContact CD1-CG2 4.06Å; Y255-V271 HydrophobicContact CD2-CG2 3.95Å; Y255-V271 HydrophobicContact CE1-CG2 4.44Å; Y255-V271 HydrophobicContact CE2-CG2 4.34Å; Y255-V271 HydrophobicContact CG-CG2 3.81Å; Y255-L295 HydrophobicContact CE2-CD1 3.96Å; Y255-L295 HydrophobicContact CE2-CD2 3.81Å
256	E	96.1	Very high	96.1	Very high	119 Å²	119	28.3 Å²	28.3	56%	0.556	14%	0.144	S	C	*	.	H	α-helix	trans	-61.8	-30.7	176.7	-69.8	170.4	176.9	0	0	112.7	K252 V253 G258	K252-E256 WeakPolarHBondContact CE-OE1 3.27Å; K252-E256 IonicContact NZ-OE1 3.42Å; K252-E256 PolarHBondContact NZ-OE1 3.04Å; K252-E256 WeakPolarHBondContact O-CG 3.26Å; K252-E256 PolarHBondContact O-N 3.37Å; V253-E256 PolarHBondContact O-N 3.49Å; V253-E256 VanDerWaalsContact O-N 3.17Å; E256-G258 VanDerWaalsContact C-N 3.33Å
257	L	97.1	Very high	96.1	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.8	174.9	-61.2	174.7	0	0	0	113.6	F198 L216 I219 R220 V253 Y255 L259	F198-L257 HydrophobicContact CZ-CD1 3.78Å; L216-L257 HydrophobicContact CD2-CD1 4.2Å; I219-L257 HydrophobicContact CG2-CD1 3.84Å; R220-L257 HydrophobicContact CB-CD2 4.11Å; R220-L257 HydrophobicContact CG-CD2 4.45Å; R220-L257 VanDerWaalsContact NH2-CD2 3.34Å; V253-L257 HydrophobicContact CG1-CD1 3.81Å; V253-L257 HydrophobicContact CG1-CG 4.23Å; V253-L257 VanDerWaalsContact O-CG 3.26Å; V253-L257 WeakPolarHBondContact O-CG 3.46Å; V253-L257 PolarHBondContact O-N 2.86Å; Y255-L257 PolarHBondContact O-N 3.37Å; L257-L259 VanDerWaalsContact C-N 3.33Å; L257-L259 HydrophobicContact CB-CD2 4.29Å; L257-L259 HydrophobicContact CB-CG 4.01Å; L257-L259 PolarHBondContact O-N 3.02Å
258	G	96.8	Very high	96	Very high	31 Å²	31	35.8 Å²	35.8	32%	0.32	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	21.7	178.1	0	0	0	0	0	114.8	M254 Y255 E256 Y262	M254-G258 PolarHBondContact O-N 3.3Å; Y255-G258 PolarHBondContact O-N 3.41Å; E256-G258 VanDerWaalsContact C-N 3.33Å; G258-Y262 WeakPolarHBondContact O-CE2 3.36Å
259	L	97.8	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.			trans	-76.5	-29.1	-176.3	-54.4	-170.3	0	0	0	113.1	I194 F198 I219 A223 L226 M254 L257 Q261 Y262	I194-L259 HydrophobicContact CG2-CD1 3.66Å; F198-L259 HydrophobicContact CD2-CD1 4.42Å; F198-L259 HydrophobicContact CE2-CD1 3.53Å; F198-L259 HydrophobicContact CZ-CD1 4.13Å; I219-L259 HydrophobicContact CG2-CD1 4Å; I219-L259 HydrophobicContact CG2-CD2 4.21Å; A223-L259 HydrophobicContact CB-CD2 3.26Å; L226-L259 HydrophobicContact CD1-CD2 4.3Å; M254-L259 HydrophobicContact CB-CB 4.26Å; M254-L259 HydrophobicContact CB-CD1 4.17Å; M254-L259 HydrophobicContact CB-CG 4.46Å; M254-L259 HydrophobicContact CE-CB 4.46Å; M254-L259 HydrophobicContact CE-CD1 4.25Å; M254-L259 HydrophobicContact CG-CD1 4.01Å; M254-L259 WeakPolarHBondContact O-CB 3.33Å; M254-L259 PolarHBondContact O-N 2.93Å; L257-L259 VanDerWaalsContact C-N 3.33Å; L257-L259 HydrophobicContact CB-CD2 4.29Å; L257-L259 HydrophobicContact CB-CG 4.01Å; L257-L259 PolarHBondContact O-N 3.02Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 3.04Å; L259-Q261 VanDerWaalsContact O-N 3.13Å; L259-Y262 PolarHBondContact O-N 3.14Å
260	A	96.6	Very high	95.8	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-49.8	-44.4	-170.1	0	0	0	0	0	113.2	Y255 Y262 I263 L265	Y255-A260 HydrophobicContact CD1-CB 3.92Å; Y255-A260 HydrophobicContact CD2-CB 4.37Å; Y255-A260 HydrophobicContact CE1-CB 3.62Å; Y255-A260 HydrophobicContact CE2-CB 4.11Å; Y255-A260 HydrophobicContact CG-CB 4.28Å; A260-Y262 PolarHBondContact O-N 3.44Å; A260-I263 WeakPolarHBondContact O-CG1 3.39Å; A260-I263 PolarHBondContact O-N 2.88Å; A260-L265 CarbonylContact C-O 3.55Å; A260-L265 HydrophobicContact CB-CB 4.02Å; A260-L265 PolarHBondContact O-N 2.99Å; A260-L265 VanDerWaalsContact O-N 3.13Å; A260-L265 VanDerWaalsContact O-O 3.07Å
261	Q	94.7	Very high	95.6	Very high	113 Å²	113	38.4 Å²	38.4	53%	0.528	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63	-25.2	-178.2	65.8	-173.6	-6.4	0	0	114.3	L259	L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 3.04Å; L259-Q261 VanDerWaalsContact O-N 3.13Å
262	Y	97.6	Very high	95.5	Very high	61 Å²	61	44.1 Å²	44.1	24%	0.239	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-90.5	-18.2	-177.9	-55.5	-61.6	0	0	0	113.2	A223 C224 A227 G258 L259 A260 R308	A223-Y262 HydrophobicContact CB-CD2 4.24Å; A223-Y262 HydrophobicContact CB-CE2 3.95Å; A223-Y262 VanDerWaalsContact O-CD2 3.29Å; A223-Y262 WeakPolarHBondContact O-CD2 3.33Å; C224-Y262 HydrophobicContact CB-CE1 4.12Å; C224-Y262 HydrophobicContact CB-CE2 4.38Å; A227-Y262 HydrophobicContact CB-CD1 4.09Å; G258-Y262 WeakPolarHBondContact O-CE2 3.36Å; L259-Y262 PolarHBondContact O-N 3.14Å; A260-Y262 PolarHBondContact O-N 3.44Å; Y262-R308 PolarHBondContact O-NE 3.12Å; Y262-R308 PolarHBondContact O-NH2 2.88Å; Y262-R308 VanDerWaalsContact O-NH2 3.1Å
263	I	97.1	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	19.6	-171.8	65.1	171.9	0	0	0	113.4	L195 L226 I234 M254 A260 L265 L309	L195-I263 HydrophobicContact CD1-CG2 4.26Å; L195-I263 HydrophobicContact CD2-CD1 4.47Å; L195-I263 HydrophobicContact CD2-CG2 4.31Å; L226-I263 HydrophobicContact CB-CG2 4.34Å; L226-I263 HydrophobicContact CD1-CG2 3.89Å; L226-I263 HydrophobicContact CG-CG2 4.5Å; I234-I263 HydrophobicContact CD1-CG2 4.38Å; I234-I263 HydrophobicContact CG2-CB 3.84Å; I234-I263 HydrophobicContact CG2-CG2 4.08Å; M254-I263 HydrophobicContact CE-CD1 3.24Å; A260-I263 WeakPolarHBondContact O-CG1 3.39Å; A260-I263 PolarHBondContact O-N 2.88Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 HydrophobicContact CD1-CD1 3.9Å; I263-L265 HydrophobicContact CD1-CG 4.3Å; I263-L265 HydrophobicContact CG1-CD1 4.24Å; I263-L265 HydrophobicContact CG1-CG 4.12Å; I263-L265 PolarHBondContact O-N 3.45Å; I263-L309 WeakPolarHBondContact O-CD2 3.3Å
264	G	95.3	Very high	95.3	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	17.3	173.8	0	0	0	0	0	114.7	M305 R308	G264-M305 WeakPolarHBondContact O-CA 3.36Å; G264-M305 WeakPolarHBondContact O-CB 3.47Å; G264-R308 VanDerWaalsContact CA-CG 3.49Å
265	L	97.1	Very high	95.1	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	24%	0.238	C	C	.	.	S	Bend	trans	-99	150.4	170.7	-60.1	-177.8	0	0	0	110	L238 L251 Y255 A260 I263 A267 L292 L295 F296	L238-L265 HydrophobicContact CD2-CD2 4.39Å; L251-L265 HydrophobicContact CD2-CD1 4.22Å; Y255-L265 HydrophobicContact CE2-CD1 4.37Å; A260-L265 CarbonylContact C-O 3.55Å; A260-L265 HydrophobicContact CB-CB 4.02Å; A260-L265 PolarHBondContact O-N 2.99Å; A260-L265 VanDerWaalsContact O-N 3.13Å; A260-L265 VanDerWaalsContact O-O 3.07Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 HydrophobicContact CD1-CD1 3.9Å; I263-L265 HydrophobicContact CD1-CG 4.3Å; I263-L265 HydrophobicContact CG1-CD1 4.24Å; I263-L265 HydrophobicContact CG1-CG 4.12Å; I263-L265 PolarHBondContact O-N 3.45Å; L265-A267 PolarHBondContact O-N 2.88Å; L265-L292 HydrophobicContact CD1-CD2 4.44Å; L265-L292 HydrophobicContact CD2-CD2 3.9Å; L265-L295 HydrophobicContact CD1-CD1 4.1Å; L265-L295 HydrophobicContact CD2-CD1 4.35Å; L265-F296 HydrophobicContact CD2-CE1 4.35Å
266	P	96.3	Very high	95	Very high	24 Å²	24	49.2 Å²	49.2	16%	0.156	26%	0.255	C	S	.	.			trans	-65.2	136	175.5	27.5	-34.5	0	0	0	110.2	Y255 E268 G269 L295 F296	Y255-P266 WeakPolarHBondContact CE1-O 3.4Å; Y255-P266 PolarHBondContact OH-O 2.76Å; P266-E268 VanDerWaalsContact C-N 3.25Å; P266-E268 PolarHBondContact O-N 3.15Å; P266-G269 PolarHBondContact O-N 3.03Å; P266-L295 HydrophobicContact CG-CB 4.4Å; P266-L295 VanDerWaalsContact CG-O 3.31Å; P266-L295 WeakPolarHBondContact CG-O 3.42Å; P266-F296 HydrophobicContact CG-CD1 3.97Å; P266-F296 HydrophobicContact CG-CE1 4.38Å
267	A	93.2	Very high	94.9	Very high	67 Å²	67	43.6 Å²	43.6	55%	0.554	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.2	179	0	0	0	0	0	112.5	L265	L265-A267 PolarHBondContact O-N 2.88Å
268	E	91.6	Very high	94.8	Very high	133 Å²	133	44.7 Å²	44.7	62%	0.621	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	42.8	176	-56.9	-175.2	179.4	0	0	112.5	P266 R297	P266-E268 VanDerWaalsContact C-N 3.25Å; P266-E268 PolarHBondContact O-N 3.15Å; E268-R297 PolarHBondContact O-NE 3.47Å; E268-R297 PolarHBondContact O-NH2 3.14Å; E268-R297 IonicContact OE2-CZ 3.35Å; E268-R297 IonicContact OE2-NH1 3.14Å; E268-R297 PolarHBondContact OE2-NH1 3Å; E268-R297 IonicContact OE2-NH2 2.66Å; E268-R297 PolarHBondContact OE2-NH2 3.43Å
269	G	92.1	Very high	94.6	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	24%	0.238	C	C	.	.			trans	-60.7	149.3	176	0	0	0	0	0	112.7	P266 V271 L295	P266-G269 PolarHBondContact O-N 3.03Å; G269-V271 PolarHBondContact O-N 3.44Å; G269-L295 WeakPolarHBondContact CA-O 3.38Å
270	D	93.1	Very high	94.4	Very high	75 Å²	75	50.5 Å²	50.5	40%	0.401	25%	0.25	S	S	.	.			trans	-79.6	87.8	178.1	-166.2	-23	0	0	0	111	E272 E273 M274	D270-E272 VanDerWaalsContact C-N 3.31Å; D270-E272 PolarHBondContact O-N 3.17Å; D270-E272 PolarHBondContact OD1-N 3.04Å; D270-E273 HydrophobicContact CB-CB 3.89Å; D270-E273 WeakPolarHBondContact OD1-CB 3.4Å; D270-E273 PolarHBondContact OD1-N 3.11Å; D270-M274 WeakPolarHBondContact O-CB 3.41Å; D270-M274 PolarHBondContact O-N 3.33Å
271	V	92.7	Very high	94.2	Very high	24 Å²	24	50.4 Å²	50.4	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-29.7	-176.6	178.6	0	0	0	0	112.1	K252 Y255 G269 M274 K275 L295	K252-V271 HydrophobicContact CB-CG1 4.04Å; K252-V271 HydrophobicContact CG-CG1 3.98Å; Y255-V271 HydrophobicContact CD1-CG2 4.06Å; Y255-V271 HydrophobicContact CD2-CG2 3.95Å; Y255-V271 HydrophobicContact CE1-CG2 4.44Å; Y255-V271 HydrophobicContact CE2-CG2 4.34Å; Y255-V271 HydrophobicContact CG-CG2 3.81Å; G269-V271 PolarHBondContact O-N 3.44Å; V271-M274 HydrophobicContact CG1-CE 4Å; V271-K275 WeakPolarHBondContact O-CG 3.47Å; V271-K275 PolarHBondContact O-N 3.48Å; V271-L295 HydrophobicContact CG2-CD2 4.48Å
272	E	92.9	Very high	94	Very high	120 Å²	120	49.1 Å²	49.1	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-75.4	-42.3	179.1	-64.4	-51.4	131.2	0	0	111.2	D270 M274 K275 R276	D270-E272 VanDerWaalsContact C-N 3.31Å; D270-E272 PolarHBondContact O-N 3.17Å; D270-E272 PolarHBondContact OD1-N 3.04Å; E272-M274 VanDerWaalsContact C-N 3.33Å; E272-M274 PolarHBondContact O-N 2.77Å; E272-K275 PolarHBondContact O-N 3.08Å; E272-K275 IonicContact OE1-NZ 3.87Å; E272-K275 PolarHBondContact OE1-NZ 2.99Å; E272-K275 IonicContact OE2-NZ 2.95Å; E272-K275 PolarHBondContact OE2-NZ 3.35Å; E272-R276 PolarHBondContact O-N 3.16Å; E272-R276 VanDerWaalsContact O-N 3.11Å
273	E	93.4	Very high	93.7	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-48.7	169.3	178.6	67	172.5	0	0	110.3	D270 K275 R276 I277 A294 Y364	D270-E273 HydrophobicContact CB-CB 3.89Å; D270-E273 WeakPolarHBondContact OD1-CB 3.4Å; D270-E273 PolarHBondContact OD1-N 3.11Å; E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 3.28Å; E273-R276 WeakPolarHBondContact O-CB 3.33Å; E273-R276 PolarHBondContact O-N 2.88Å; E273-R276 VanDerWaalsContact O-N 3.08Å; E273-R276 IonicContact OE1-CZ 2.64Å; E273-R276 IonicContact OE1-NH2 2.66Å; E273-R276 PolarHBondContact OE1-NH2 3.16Å; E273-R276 IonicContact OE2-CZ 2.67Å; E273-R276 IonicContact OE2-NE 3.84Å; E273-R276 PolarHBondContact OE2-NE 3.29Å; E273-R276 IonicContact OE2-NH2 3.4Å; E273-R276 PolarHBondContact OE2-NH2 3.42Å; E273-I277 HydrophobicContact CG-CG1 4.13Å; E273-I277 VanDerWaalsContact O-CG1 3.26Å; E273-I277 WeakPolarHBondContact O-CG1 3.5Å; E273-I277 PolarHBondContact O-N 3.11Å; E273-A294 HydrophobicContact CG-CB 4.05Å; E273-Y364 PolarHBondContact OE1-OH 3.21Å
274	M	94.8	Very high	93.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-41.5	179.3	179.1	-78.8	-59	0	0	113.3	A248 L251 D270 V271 E272 I277 W278 A294 L295	A248-M274 HydrophobicContact CB-SD 4.14Å; L251-M274 HydrophobicContact CB-CE 3.61Å; L251-M274 HydrophobicContact CB-SD 4.16Å; L251-M274 HydrophobicContact CD1-CE 4.17Å; L251-M274 HydrophobicContact CD1-CG 4.04Å; L251-M274 HydrophobicContact CD1-SD 3.63Å; D270-M274 WeakPolarHBondContact O-CB 3.41Å; D270-M274 PolarHBondContact O-N 3.33Å; V271-M274 HydrophobicContact CG1-CE 4Å; E272-M274 VanDerWaalsContact C-N 3.33Å; E272-M274 PolarHBondContact O-N 2.77Å; M274-I277 PolarHBondContact O-N 3.19Å; M274-W278 WeakPolarHBondContact O-CB 3.49Å; M274-W278 PolarHBondContact O-N 3.33Å; M274-A294 VanDerWaalsContact CA-CB 3.49Å; M274-A294 HydrophobicContact CB-CB 3.9Å; M274-A294 HydrophobicContact CG-CB 4.45Å; M274-L295 HydrophobicContact CB-CD2 3.62Å; M274-L295 HydrophobicContact CB-CG 4.03Å; M274-L295 HydrophobicContact CG-CD2 3.91Å; M274-L295 HydrophobicContact CG-CG 4.02Å
275	K	94.3	Very high	93.4	Very high	54 Å²	54	59.4 Å²	59.4	24%	0.235	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-46.4	174.7	-72.4	169	-172.1	164	0	111.9	A248 V271 E272 E273 I277 W278 E279	A248-K275 HydrophobicContact CB-CG 4.2Å; V271-K275 WeakPolarHBondContact O-CG 3.47Å; V271-K275 PolarHBondContact O-N 3.48Å; E272-K275 PolarHBondContact O-N 3.08Å; E272-K275 IonicContact OE1-NZ 3.87Å; E272-K275 PolarHBondContact OE1-NZ 2.99Å; E272-K275 IonicContact OE2-NZ 2.95Å; E272-K275 PolarHBondContact OE2-NZ 3.35Å; E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 3.28Å; K275-I277 VanDerWaalsContact C-N 3.34Å; K275-I277 PolarHBondContact O-N 3.07Å; K275-W278 PolarHBondContact O-N 2.99Å; K275-E279 PolarHBondContact O-N 2.93Å; K275-E279 VanDerWaalsContact O-N 3.12Å
276	R	94.9	Very high	93.2	Very high	128 Å²	128	59.7 Å²	59.7	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-47.7	178	-177.6	-179.1	75.4	111.1	-2.4	111	E272 E273 E279 H280	E272-R276 PolarHBondContact O-N 3.16Å; E272-R276 VanDerWaalsContact O-N 3.11Å; E273-R276 WeakPolarHBondContact O-CB 3.33Å; E273-R276 PolarHBondContact O-N 2.88Å; E273-R276 VanDerWaalsContact O-N 3.08Å; E273-R276 IonicContact OE1-CZ 2.64Å; E273-R276 IonicContact OE1-NH2 2.66Å; E273-R276 PolarHBondContact OE1-NH2 3.16Å; E273-R276 IonicContact OE2-CZ 2.67Å; E273-R276 IonicContact OE2-NE 3.84Å; E273-R276 PolarHBondContact OE2-NE 3.29Å; E273-R276 IonicContact OE2-NH2 3.4Å; E273-R276 PolarHBondContact OE2-NH2 3.42Å; R276-E279 PolarHBondContact O-N 3.17Å; R276-H280 PolarHBondContact O-CD2 3.34Å; R276-H280 PolarHBondContact O-N 2.98Å
277	I	94.6	Very high	93.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-41.6	179.3	-61.1	-56.2	0	0	0	111	E273 M274 K275 E279 H280 V281 A294 Y364	E273-I277 HydrophobicContact CG-CG1 4.13Å; E273-I277 VanDerWaalsContact O-CG1 3.26Å; E273-I277 WeakPolarHBondContact O-CG1 3.5Å; E273-I277 PolarHBondContact O-N 3.11Å; M274-I277 PolarHBondContact O-N 3.19Å; K275-I277 VanDerWaalsContact C-N 3.34Å; K275-I277 PolarHBondContact O-N 3.07Å; I277-E279 VanDerWaalsContact C-N 3.28Å; I277-E279 PolarHBondContact O-N 2.98Å; I277-H280 WeakPolarHBondContact O-CB 3.25Å; I277-H280 PolarHBondContact O-N 3.43Å; I277-H280 VanDerWaalsContact O-N 3.09Å; I277-V281 HydrophobicContact CG2-CG1 4.21Å; I277-V281 WeakPolarHBondContact O-CG1 3.43Å; I277-V281 WeakPolarHBondContact O-CG2 3.32Å; I277-V281 PolarHBondContact O-N 3Å; I277-A294 HydrophobicContact CB-CB 3.98Å; I277-A294 HydrophobicContact CG1-CB 3.78Å; I277-A294 HydrophobicContact CG2-CB 4.32Å; I277-Y364 HydrophobicContact CD1-CD1 3.58Å; I277-Y364 HydrophobicContact CD1-CD2 4.16Å; I277-Y364 HydrophobicContact CD1-CE1 3.3Å; I277-Y364 HydrophobicContact CD1-CE2 3.96Å; I277-Y364 HydrophobicContact CD1-CG 3.96Å; I277-Y364 WeakPolarHBondContact CD1-O 3.42Å; I277-Y364 HydrophobicContact CG1-CD1 4.48Å; I277-Y364 HydrophobicContact CG1-CD2 4.27Å; I277-Y364 HydrophobicContact CG1-CE1 4Å; I277-Y364 HydrophobicContact CG1-CE2 3.81Å; I277-Y364 HydrophobicContact CG2-CD2 3.74Å; I277-Y364 HydrophobicContact CG2-CE2 3.96Å; I277-Y364 HydrophobicContact CG2-CG 4.21Å
278	W	94.3	Very high	93.5	Very high	35 Å²	35	59.3 Å²	59.3	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-41.6	176.4	-173.7	83	0	0	0	112.3	A248 M274 K275 H280 V281 K282	A248-W278 HydrophobicContact CB-CB 3.81Å; A248-W278 HydrophobicContact CB-CD2 3.77Å; A248-W278 HydrophobicContact CB-CE3 3.9Å; A248-W278 HydrophobicContact CB-CG 3.73Å; M274-W278 WeakPolarHBondContact O-CB 3.49Å; M274-W278 PolarHBondContact O-N 3.33Å; K275-W278 PolarHBondContact O-N 2.99Å; W278-H280 VanDerWaalsContact C-N 3.33Å; W278-H280 PolarHBondContact O-N 3.31Å; W278-V281 PolarHBondContact O-N 3.33Å; W278-K282 HydrophobicContact CD2-CB 4.33Å; W278-K282 HydrophobicContact CE3-CB 4.49Å; W278-K282 HydrophobicContact CE3-CD 4.22Å; W278-K282 HydrophobicContact CH2-CB 4.26Å; W278-K282 HydrophobicContact CH2-CD 3.97Å; W278-K282 HydrophobicContact CZ2-CB 4.07Å; W278-K282 HydrophobicContact CZ3-CB 4.47Å; W278-K282 HydrophobicContact CZ3-CD 3.75Å; W278-K282 WeakPolarHBondContact O-CB 3.37Å; W278-K282 PolarHBondContact O-N 3.14Å
279	E	93.1	Very high	93.8	Very high	99 Å²	99	53 Å²	53	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-37.4	175.4	-70.7	-62.1	148.4	0	0	113	K275 R276 I277 K282	K275-E279 PolarHBondContact O-N 2.93Å; K275-E279 VanDerWaalsContact O-N 3.12Å; R276-E279 PolarHBondContact O-N 3.17Å; I277-E279 VanDerWaalsContact C-N 3.28Å; I277-E279 PolarHBondContact O-N 2.98Å; E279-K282 WeakPolarHBondContact OE2-CE 3.15Å; E279-K282 IonicContact OE2-NZ 3.23Å; E279-K282 PolarHBondContact OE2-NZ 2.86Å
280	H	92.8	Very high	94	Very high	55 Å²	55	52.5 Å²	52.5	26%	0.255	26%	0.259	S	S	.	.	H	α-helix	trans	-66.3	-39.9	174.9	-60.9	170.9	0	0	0	112.1	R276 I277 W278 H284 Y364	R276-H280 PolarHBondContact O-CD2 3.34Å; R276-H280 PolarHBondContact O-N 2.98Å; I277-H280 WeakPolarHBondContact O-CB 3.25Å; I277-H280 PolarHBondContact O-N 3.43Å; I277-H280 VanDerWaalsContact O-N 3.09Å; W278-H280 VanDerWaalsContact C-N 3.33Å; W278-H280 PolarHBondContact O-N 3.31Å; H280-H284 PolarHBondContact O-ND1 3.32Å; H280-H284 VanDerWaalsContact O-ND1 3.12Å; H280-Y364 PolarHBondContact ND1-O 2.96Å
281	V	93.3	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-97.9	-17.8	-166.5	-55	0	0	0	0	115.2	I277 W278 D283 H284 P286 T290 V291 K363	I277-V281 HydrophobicContact CG2-CG1 4.21Å; I277-V281 WeakPolarHBondContact O-CG1 3.43Å; I277-V281 WeakPolarHBondContact O-CG2 3.32Å; I277-V281 PolarHBondContact O-N 3Å; W278-V281 PolarHBondContact O-N 3.33Å; V281-D283 PolarHBondContact O-N 3.44Å; V281-H284 PolarHBondContact O-N 2.96Å; V281-P286 HydrophobicContact CB-CB 3.82Å; V281-P286 HydrophobicContact CB-CG 4Å; V281-P286 HydrophobicContact CG2-CB 3.76Å; V281-P286 HydrophobicContact CG2-CG 3.64Å; V281-P286 WeakPolarHBondContact O-CD 3.42Å; V281-T290 HydrophobicContact CG1-CG2 4.43Å; V281-V291 HydrophobicContact CG2-CG2 3.76Å; V281-K363 HydrophobicContact CG1-CB 3.91Å; V281-K363 WeakPolarHBondContact CG1-O 3.32Å
282	K	90.6	Very high	94.4	Very high	86 Å²	86	47.8 Å²	47.8	37%	0.374	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.4	-171.2	65.1	-175.5	-177	-175.3	0	114.2	W278 E279	W278-K282 HydrophobicContact CD2-CB 4.33Å; W278-K282 HydrophobicContact CE3-CB 4.49Å; W278-K282 HydrophobicContact CE3-CD 4.22Å; W278-K282 HydrophobicContact CH2-CB 4.26Å; W278-K282 HydrophobicContact CH2-CD 3.97Å; W278-K282 HydrophobicContact CZ2-CB 4.07Å; W278-K282 HydrophobicContact CZ3-CB 4.47Å; W278-K282 HydrophobicContact CZ3-CD 3.75Å; W278-K282 WeakPolarHBondContact O-CB 3.37Å; W278-K282 PolarHBondContact O-N 3.14Å; E279-K282 WeakPolarHBondContact OE2-CE 3.15Å; E279-K282 IonicContact OE2-NZ 3.23Å; E279-K282 PolarHBondContact OE2-NZ 2.86Å
283	D	91	Very high	94.6	Very high	130 Å²	130	42 Å²	42	70%	0.695	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	2	-177.9	-61.4	-46.8	0	0	0	113.5	V281	V281-D283 PolarHBondContact O-N 3.44Å
284	H	92.1	Very high	94.7	Very high	51 Å²	51	40.3 Å²	40.3	24%	0.236	20%	0.198	C	C	.	.	S	Bend	trans	-116.5	17.3	-172	-65.9	105	0	0	0	114.2	H280 V281 K363 D368 L371	H280-H284 PolarHBondContact O-ND1 3.32Å; H280-H284 VanDerWaalsContact O-ND1 3.12Å; V281-H284 PolarHBondContact O-N 2.96Å; H284-K363 HydrophobicContact CB-CD 4.07Å; H284-K363 HydrophobicContact CB-CG 3.99Å; H284-K363 WeakPolarHBondContact O-CE 3.36Å; H284-K363 PolarHBondContact O-NZ 2.88Å; H284-D368 IonicContact CE1-OD1 2.71Å; H284-D368 PolarHBondContact CE1-OD1 3.14Å; H284-D368 IonicContact CE1-OD2 3.19Å; H284-D368 IonicContact ND1-OD1 2.75Å; H284-D368 IonicContact NE2-OD1 3.7Å; H284-L371 HydrophobicContact CB-CD2 4.34Å
285	S	92.3	Very high	94.8	Very high	107 Å²	107	40.3 Å²	40.3	75%	0.748	20%	0.198	S	C	*	.			trans	45.5	66.3	-179.1	-56.9	0	0	0	0	111.9	K363	S285-K363 PolarHBondContact O-NZ 3.5Å
286	P	94.8	Very high	95	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.104	19%	0.187	C	C	.	.			trans	-67.9	149.5	-174.5	26.5	-30.3	0	0	0	111.2	V243 V281 V291	V243-P286 WeakPolarHBondContact CG1-O 3.37Å; V281-P286 HydrophobicContact CB-CB 3.82Å; V281-P286 HydrophobicContact CB-CG 4Å; V281-P286 HydrophobicContact CG2-CB 3.76Å; V281-P286 HydrophobicContact CG2-CG 3.64Å; V281-P286 WeakPolarHBondContact O-CD 3.42Å; P286-V291 HydrophobicContact CB-CG2 4.12Å; P286-V291 HydrophobicContact CG-CG2 3.98Å
287	K	96.9	Very high	94.9	Very high	57 Å²	57	39 Å²	39	25%	0.248	19%	0.192	C	C	.	.			trans	-65.7	143.7	161.2	-69.3	-174.6	176.8	-172.8	0	109	V289 T290 E314 L318 S356 E360	K287-V289 PolarHBondContact O-N 3.32Å; K287-V289 VanDerWaalsContact O-N 3.15Å; K287-T290 VanDerWaalsContact O-CB 3.22Å; K287-T290 WeakPolarHBondContact O-CB 3.44Å; K287-T290 PolarHBondContact O-N 2.9Å; K287-T290 PolarHBondContact O-OG1 3.35Å; K287-E314 IonicContact NZ-OE1 3.68Å; K287-E314 PolarHBondContact NZ-OE1 3.46Å; K287-L318 HydrophobicContact CB-CD2 3.88Å; K287-L318 HydrophobicContact CD-CD2 3.56Å; K287-L318 HydrophobicContact CG-CD2 4.33Å; K287-S356 PolarHBondContact NZ-OG 3.43Å; K287-E360 HydrophobicContact CB-CG 4.48Å; K287-E360 HydrophobicContact CD-CG 4.05Å; K287-E360 HydrophobicContact CG-CG 4.24Å; K287-E360 PolarHBondContact N-OE2 3.07Å
288	P	97.1	Very high	94.9	Very high	27 Å²	27	41.2 Å²	41.2	18%	0.175	21%	0.207	C	C	.	.	H	α-helix	trans	-52.6	-40	-179.5	-29.5	34.5	0	0	0	114.1	W235 K239 V242 V243 T290 V291 L292	W235-P288 HydrophobicContact CH2-CB 4.11Å; K239-P288 HydrophobicContact CB-CB 4.28Å; K239-P288 HydrophobicContact CB-CG 3.98Å; K239-P288 HydrophobicContact CD-CB 4.37Å; K239-P288 HydrophobicContact CD-CG 3.97Å; K239-P288 HydrophobicContact CG-CB 3.8Å; K239-P288 HydrophobicContact CG-CG 3.76Å; V242-P288 HydrophobicContact CG2-CB 3.61Å; V242-P288 HydrophobicContact CG2-CG 4.47Å; V243-P288 HydrophobicContact CG1-CB 4.28Å; V243-P288 HydrophobicContact CG1-CG 3.78Å; P288-T290 PolarHBondContact O-N 3.3Å; P288-V291 PolarHBondContact O-N 3.48Å; P288-L292 WeakPolarHBondContact O-CG 3.39Å; P288-L292 PolarHBondContact O-N 3.5Å; P288-L292 VanDerWaalsContact O-N 3.12Å
289	V	97.8	Very high	95.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-27.9	179.3	179.1	0	0	0	0	112	W235 K287 L292 S293 E315 L318 G319	W235-V289 HydrophobicContact CH2-CG2 3.94Å; W235-V289 HydrophobicContact CZ2-CG2 4.04Å; K287-V289 PolarHBondContact O-N 3.32Å; K287-V289 VanDerWaalsContact O-N 3.15Å; V289-L292 PolarHBondContact O-N 3.15Å; V289-S293 VanDerWaalsContact O-CB 3.27Å; V289-S293 WeakPolarHBondContact O-CB 3.41Å; V289-S293 PolarHBondContact O-N 2.69Å; V289-E315 HydrophobicContact CG2-CB 3.77Å; V289-E315 HydrophobicContact CG2-CG 4.04Å; V289-L318 HydrophobicContact CB-CD2 4.19Å; V289-L318 HydrophobicContact CG1-CG 4.36Å; V289-G319 VanDerWaalsContact CG1-CA 3.45Å
290	T	97.5	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-47	176.9	-52.7	0	0	0	0	110.8	V281 K287 P288 S293 L322 E360	V281-T290 HydrophobicContact CG1-CG2 4.43Å; K287-T290 VanDerWaalsContact O-CB 3.22Å; K287-T290 WeakPolarHBondContact O-CB 3.44Å; K287-T290 PolarHBondContact O-N 2.9Å; K287-T290 PolarHBondContact O-OG1 3.35Å; P288-T290 PolarHBondContact O-N 3.3Å; T290-S293 PolarHBondContact O-OG 3.16Å; T290-L322 HydrophobicContact CG2-CD1 4.19Å; T290-E360 WeakPolarHBondContact CB-OE2 3.33Å; T290-E360 HydrophobicContact CG2-CB 4.29Å; T290-E360 WeakPolarHBondContact CG2-O 3.39Å; T290-E360 PolarHBondContact OG1-OE2 3.13Å
291	V	96.6	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-48.4	174.6	-177.9	0	0	0	0	110.9	L251 V281 P286 P288 S293 A294	L251-V291 HydrophobicContact CD1-CG1 4.44Å; V281-V291 HydrophobicContact CG2-CG2 3.76Å; P286-V291 HydrophobicContact CB-CG2 4.12Å; P286-V291 HydrophobicContact CG-CG2 3.98Å; P288-V291 PolarHBondContact O-N 3.48Å; V291-S293 VanDerWaalsContact C-N 3.29Å; V291-S293 PolarHBondContact O-N 2.81Å; V291-A294 VanDerWaalsContact O-CB 3.26Å; V291-A294 WeakPolarHBondContact O-CB 3.47Å; V291-A294 PolarHBondContact O-N 2.86Å
292	L	97.1	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-27.8	-176.2	-69.7	177.4	0	0	0	113.5	W235 L238 V242 L251 L265 P288 V289 A294 L295 F296 M305	W235-L292 HydrophobicContact CH2-CD1 3.88Å; W235-L292 HydrophobicContact CZ3-CD1 3.52Å; L238-L292 HydrophobicContact CD2-CD1 4.08Å; L238-L292 HydrophobicContact CG-CD1 4.34Å; V242-L292 HydrophobicContact CG1-CD2 3.91Å; V242-L292 HydrophobicContact CG1-CG 4.31Å; L251-L292 HydrophobicContact CD1-CD2 4.48Å; L265-L292 HydrophobicContact CD1-CD2 4.44Å; L265-L292 HydrophobicContact CD2-CD2 3.9Å; P288-L292 WeakPolarHBondContact O-CG 3.39Å; P288-L292 PolarHBondContact O-N 3.5Å; P288-L292 VanDerWaalsContact O-N 3.12Å; V289-L292 PolarHBondContact O-N 3.15Å; L292-A294 PolarHBondContact O-N 3.21Å; L292-A294 VanDerWaalsContact O-N 3.15Å; L292-L295 HydrophobicContact CD2-CD1 3.93Å; L292-L295 WeakPolarHBondContact O-CB 3.41Å; L292-L295 PolarHBondContact O-N 2.71Å; L292-F296 HydrophobicContact CB-CE2 4.43Å; L292-F296 HydrophobicContact CB-CZ 4.16Å; L292-M305 HydrophobicContact CD1-SD 4.49Å
293	S	97.2	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-25.9	178.2	72.4	0	0	0	0	113.3	V289 T290 V291 L295 F296 R326 Y364	V289-S293 VanDerWaalsContact O-CB 3.27Å; V289-S293 WeakPolarHBondContact O-CB 3.41Å; V289-S293 PolarHBondContact O-N 2.69Å; T290-S293 PolarHBondContact O-OG 3.16Å; V291-S293 VanDerWaalsContact C-N 3.29Å; V291-S293 PolarHBondContact O-N 2.81Å; S293-L295 PolarHBondContact O-N 3.21Å; S293-F296 PolarHBondContact O-N 3.33Å; S293-F296 VanDerWaalsContact O-N 3.1Å; S293-R326 PolarHBondContact O-NH1 3.46Å; S293-Y364 WeakPolarHBondContact OG-CD2 3.48Å; S293-Y364 VanDerWaalsContact OG-CE2 3.3Å; S293-Y364 WeakPolarHBondContact OG-CE2 3.43Å
294	A	96.4	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	173.9	0	0	0	0	0	112.8	E273 M274 I277 V291 L292 F296 Y364	E273-A294 HydrophobicContact CG-CB 4.05Å; M274-A294 VanDerWaalsContact CA-CB 3.49Å; M274-A294 HydrophobicContact CB-CB 3.9Å; M274-A294 HydrophobicContact CG-CB 4.45Å; I277-A294 HydrophobicContact CB-CB 3.98Å; I277-A294 HydrophobicContact CG1-CB 3.78Å; I277-A294 HydrophobicContact CG2-CB 4.32Å; V291-A294 VanDerWaalsContact O-CB 3.26Å; V291-A294 WeakPolarHBondContact O-CB 3.47Å; V291-A294 PolarHBondContact O-N 2.86Å; L292-A294 PolarHBondContact O-N 3.21Å; L292-A294 VanDerWaalsContact O-N 3.15Å; A294-F296 VanDerWaalsContact C-N 3.33Å; A294-Y364 HydrophobicContact CB-CE2 4.07Å
295	L	96.9	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.9	178.3	-62.3	168.6	0	0	0	112.9	Y255 L265 P266 G269 V271 M274 L292 S293	Y255-L295 HydrophobicContact CE2-CD1 3.96Å; Y255-L295 HydrophobicContact CE2-CD2 3.81Å; L265-L295 HydrophobicContact CD1-CD1 4.1Å; L265-L295 HydrophobicContact CD2-CD1 4.35Å; P266-L295 HydrophobicContact CG-CB 4.4Å; P266-L295 VanDerWaalsContact CG-O 3.31Å; P266-L295 WeakPolarHBondContact CG-O 3.42Å; G269-L295 WeakPolarHBondContact CA-O 3.38Å; V271-L295 HydrophobicContact CG2-CD2 4.48Å; M274-L295 HydrophobicContact CB-CD2 3.62Å; M274-L295 HydrophobicContact CB-CG 4.03Å; M274-L295 HydrophobicContact CG-CD2 3.91Å; M274-L295 HydrophobicContact CG-CG 4.02Å; L292-L295 HydrophobicContact CD2-CD1 3.93Å; L292-L295 WeakPolarHBondContact O-CB 3.41Å; L292-L295 PolarHBondContact O-N 2.71Å; S293-L295 PolarHBondContact O-N 3.21Å
296	F	96.8	Very high	96.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	17%	0.17	C	C	.	.			trans	-89.6	135.8	-174.2	-56.1	-28.9	0	0	0	111	L265 P266 L292 S293 A294 D301 V302 M305 V323 R326	L265-F296 HydrophobicContact CD2-CE1 4.35Å; P266-F296 HydrophobicContact CG-CD1 3.97Å; P266-F296 HydrophobicContact CG-CE1 4.38Å; L292-F296 HydrophobicContact CB-CE2 4.43Å; L292-F296 HydrophobicContact CB-CZ 4.16Å; S293-F296 PolarHBondContact O-N 3.33Å; S293-F296 VanDerWaalsContact O-N 3.1Å; A294-F296 VanDerWaalsContact C-N 3.33Å; F296-D301 HydrophobicContact CB-CB 3.87Å; F296-D301 HydrophobicContact CD1-CB 3.76Å; F296-D301 HydrophobicContact CG-CB 3.95Å; F296-V302 HydrophobicContact CD2-CG2 3.6Å; F296-V302 HydrophobicContact CE2-CG2 4.13Å; F296-V302 HydrophobicContact CG-CG2 4.31Å; F296-M305 HydrophobicContact CE2-CE 4.39Å; F296-M305 HydrophobicContact CE2-SD 4.04Å; F296-M305 HydrophobicContact CZ-CB 4.28Å; F296-M305 HydrophobicContact CZ-CE 4.39Å; F296-M305 HydrophobicContact CZ-CG 4.32Å; F296-M305 HydrophobicContact CZ-SD 3.5Å; F296-M305 VanDerWaalsContact CZ-SD 3.5Å; F296-V323 HydrophobicContact CB-CG2 3.77Å; F296-V323 HydrophobicContact CD2-CG2 4.17Å; F296-V323 HydrophobicContact CG-CG2 4.5Å; F296-R326 PolarHBondContact O-NH1 3.27Å; F296-R326 VanDerWaalsContact O-NH1 3.12Å; F296-R326 PolarHBondContact O-NH2 3.28Å
297	R	94.1	Very high	97	Very high	151 Å²	151	40.3 Å²	40.3	57%	0.57	20%	0.196	S	C	*	.	S	Bend	trans	-90.5	-35.8	176.6	-65.5	-175.2	-178.7	165.8	4	111.4	E268 D301	E268-R297 PolarHBondContact O-NE 3.47Å; E268-R297 PolarHBondContact O-NH2 3.14Å; E268-R297 IonicContact OE2-CZ 3.35Å; E268-R297 IonicContact OE2-NH1 3.14Å; E268-R297 PolarHBondContact OE2-NH1 3Å; E268-R297 IonicContact OE2-NH2 2.66Å; E268-R297 PolarHBondContact OE2-NH2 3.43Å; R297-D301 PolarHBondContact N-OD2 2.87Å
298	C	95.3	Very high	97	Very high	48 Å²	48	40.4 Å²	40.4	32%	0.324	20%	0.195	S	C	.	.	S	Bend	trans	-146.3	169.2	-176.4	61.1	0	0	0	0	112.3	Q300 D301	C298-Q300 PolarHBondContact O-N 2.93Å; C298-Q300 VanDerWaalsContact O-N 3.15Å; C298-Q300 PolarHBondContact SG-OE1 3.12Å; C298-D301 PolarHBondContact N-OD2 2.95Å; C298-D301 WeakPolarHBondContact O-CB 3.31Å; C298-D301 PolarHBondContact O-N 3.22Å
299	S	96.8	Very high	97.1	Very high	47 Å²	47	39.1 Å²	39.1	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-58.6	-27.2	180	-55.7	0	0	0	0	113.2	D301 V302 E303	S299-D301 VanDerWaalsContact C-N 3.25Å; S299-D301 PolarHBondContact O-N 2.99Å; S299-V302 WeakPolarHBondContact O-CB 3.31Å; S299-V302 PolarHBondContact O-N 3.44Å; S299-E303 PolarHBondContact O-N 3.28Å
300	Q	96.9	Very high	97.1	Very high	117 Å²	117	44.4 Å²	44.4	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-28.9	176	-68.3	86	-0.1	0	0	113	C298 V302 E303 K304	C298-Q300 PolarHBondContact O-N 2.93Å; C298-Q300 VanDerWaalsContact O-N 3.15Å; C298-Q300 PolarHBondContact SG-OE1 3.12Å; Q300-V302 VanDerWaalsContact C-N 3.34Å; Q300-E303 PolarHBondContact O-N 3.27Å; Q300-K304 WeakPolarHBondContact O-CG 3.45Å; Q300-K304 PolarHBondContact O-N 2.56Å
301	D	97.3	Very high	97.1	Very high	21 Å²	21	45 Å²	45	11%	0.112	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-36.4	177.1	-64	-33.8	0	0	0	111.2	F296 R297 C298 S299 K304 M305	F296-D301 HydrophobicContact CB-CB 3.87Å; F296-D301 HydrophobicContact CD1-CB 3.76Å; F296-D301 HydrophobicContact CG-CB 3.95Å; R297-D301 PolarHBondContact N-OD2 2.87Å; C298-D301 PolarHBondContact N-OD2 2.95Å; C298-D301 WeakPolarHBondContact O-CB 3.31Å; C298-D301 PolarHBondContact O-N 3.22Å; S299-D301 VanDerWaalsContact C-N 3.25Å; S299-D301 PolarHBondContact O-N 2.99Å; D301-K304 PolarHBondContact O-N 2.9Å; D301-M305 WeakPolarHBondContact O-CB 3.33Å; D301-M305 PolarHBondContact O-N 3.46Å
302	V	97.9	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-42.6	174.1	-173.8	0	0	0	0	110.7	F296 S299 Q300 M305 D306 K316 L320 V323	F296-V302 HydrophobicContact CD2-CG2 3.6Å; F296-V302 HydrophobicContact CE2-CG2 4.13Å; F296-V302 HydrophobicContact CG-CG2 4.31Å; S299-V302 WeakPolarHBondContact O-CB 3.31Å; S299-V302 PolarHBondContact O-N 3.44Å; Q300-V302 VanDerWaalsContact C-N 3.34Å; V302-M305 HydrophobicContact CG1-CE 4.42Å; V302-M305 PolarHBondContact O-N 3.02Å; V302-D306 PolarHBondContact O-N 3.38Å; V302-K316 HydrophobicContact CG1-CG 4.39Å; V302-L320 HydrophobicContact CB-CD2 3.94Å; V302-L320 HydrophobicContact CB-CG 4.37Å; V302-L320 HydrophobicContact CG1-CD2 4.13Å; V302-L320 HydrophobicContact CG1-CG 4.01Å; V302-L320 HydrophobicContact CG2-CD2 4.36Å; V302-V323 HydrophobicContact CG2-CG2 3.95Å
303	E	97.9	Very high	97.1	Very high	82 Å²	82	57.3 Å²	57.3	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-41.2	176.4	-67.5	-66.2	160.4	0	0	112	S299 Q300 D306 L307 K316	S299-E303 PolarHBondContact O-N 3.28Å; Q300-E303 PolarHBondContact O-N 3.27Å; E303-D306 PolarHBondContact O-N 2.87Å; E303-L307 WeakPolarHBondContact O-CB 3.36Å; E303-L307 PolarHBondContact O-N 2.77Å; E303-K316 WeakPolarHBondContact OE1-CE 3.29Å; E303-K316 IonicContact OE1-NZ 2.72Å; E303-K316 PolarHBondContact OE1-NZ 3.01Å; E303-K316 WeakPolarHBondContact OE2-CE 3.2Å; E303-K316 IonicContact OE2-NZ 3.4Å; E303-K316 PolarHBondContact OE2-NZ 3.12Å
304	K	97.3	Very high	97	Very high	136 Å²	136	62.3 Å²	62.3	59%	0.591	29%	0.292	S	S	*	.	H	α-helix	trans	-65.2	-41.9	174.9	-72.7	172.3	-174.6	172.1	0	112	Q300 D301 L307 R308	Q300-K304 WeakPolarHBondContact O-CG 3.45Å; Q300-K304 PolarHBondContact O-N 2.56Å; D301-K304 PolarHBondContact O-N 2.9Å; K304-L307 PolarHBondContact O-N 2.81Å; K304-R308 PolarHBondContact O-N 3.33Å; K304-R308 VanDerWaalsContact O-N 3.1Å
305	M	97.6	Very high	97.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-50.4	174.7	-178.5	-164.7	64.7	0	0	110.4	G264 L292 F296 D301 V302 L307 R308 L309 V311	G264-M305 WeakPolarHBondContact O-CA 3.36Å; G264-M305 WeakPolarHBondContact O-CB 3.47Å; L292-M305 HydrophobicContact CD1-SD 4.49Å; F296-M305 HydrophobicContact CE2-CE 4.39Å; F296-M305 HydrophobicContact CE2-SD 4.04Å; F296-M305 HydrophobicContact CZ-CB 4.28Å; F296-M305 HydrophobicContact CZ-CE 4.39Å; F296-M305 HydrophobicContact CZ-CG 4.32Å; F296-M305 HydrophobicContact CZ-SD 3.5Å; F296-M305 VanDerWaalsContact CZ-SD 3.5Å; D301-M305 WeakPolarHBondContact O-CB 3.33Å; D301-M305 PolarHBondContact O-N 3.46Å; V302-M305 HydrophobicContact CG1-CE 4.42Å; V302-M305 PolarHBondContact O-N 3.02Å; M305-L307 VanDerWaalsContact C-N 3.34Å; M305-L307 PolarHBondContact O-N 3.48Å; M305-R308 PolarHBondContact O-N 3.33Å; M305-L309 HydrophobicContact CG-CD1 3.67Å; M305-L309 HydrophobicContact CG-CG 4.28Å; M305-L309 VanDerWaalsContact O-CB 3.31Å; M305-L309 WeakPolarHBondContact O-CB 3.47Å; M305-L309 PolarHBondContact O-N 2.75Å; M305-L309 HydrophobicContact SD-CD1 4.42Å; M305-V311 HydrophobicContact CE-CG1 4.14Å; M305-V311 HydrophobicContact CE-CG2 4.19Å
306	D	98.3	Very high	97.1	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.171	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-45.3	177.7	177.7	38	0	0	0	111.9	V302 E303 R308 L309 K310 V311 K316	V302-D306 PolarHBondContact O-N 3.38Å; E303-D306 PolarHBondContact O-N 2.87Å; D306-R308 PolarHBondContact O-N 3.36Å; D306-L309 PolarHBondContact O-N 3.36Å; D306-K310 WeakPolarHBondContact O-CA 3.27Å; D306-K310 PolarHBondContact O-N 2.82Å; D306-V311 HydrophobicContact CB-CG2 3.97Å; D306-V311 WeakPolarHBondContact OD1-CG2 3.44Å; D306-V311 PolarHBondContact OD1-N 3.2Å; D306-K316 HydrophobicContact CB-CD 4.35Å; D306-K316 HydrophobicContact CB-CG 4.46Å; D306-K316 WeakPolarHBondContact OD2-CD 3.17Å; D306-K316 WeakPolarHBondContact OD2-CE 3.35Å; D306-K316 IonicContact OD2-NZ 2.66Å; D306-K316 PolarHBondContact OD2-NZ 3.17Å
307	L	97.7	Very high	97.2	Very high	124 Å²	124	67.9 Å²	67.9	65%	0.649	32%	0.319	S	S	*	.	H	α-helix	trans	-57.4	-39.4	178	-174.5	65.1	0	0	0	112.2	E303 K304 M305 K310	E303-L307 WeakPolarHBondContact O-CB 3.36Å; E303-L307 PolarHBondContact O-N 2.77Å; K304-L307 PolarHBondContact O-N 2.81Å; M305-L307 VanDerWaalsContact C-N 3.34Å; M305-L307 PolarHBondContact O-N 3.48Å; L307-K310 WeakPolarHBondContact O-CE 3.48Å; L307-K310 PolarHBondContact O-NZ 3.32Å
308	R	97.8	Very high	97.4	Very high	59 Å²	59	61 Å²	61	22%	0.223	29%	0.293	C	S	.	.	H	α-helix	trans	-82.7	-38.4	-177.8	176.2	57.8	-173.2	106.3	-13.8	113.8	L226 I229 G231 Y262 G264 K304 M305 D306	L226-R308 PolarHBondContact O-NH2 3.02Å; I229-R308 PolarHBondContact O-NH1 3.35Å; I229-R308 VanDerWaalsContact O-NH1 3.07Å; I229-R308 PolarHBondContact O-NH2 2.65Å; G231-R308 VanDerWaalsContact CA-NH1 3.33Å; G231-R308 WeakPolarHBondContact CA-O 3.46Å; Y262-R308 PolarHBondContact O-NE 3.12Å; Y262-R308 PolarHBondContact O-NH2 2.88Å; Y262-R308 VanDerWaalsContact O-NH2 3.1Å; G264-R308 VanDerWaalsContact CA-CG 3.49Å; K304-R308 PolarHBondContact O-N 3.33Å; K304-R308 VanDerWaalsContact O-N 3.1Å; M305-R308 PolarHBondContact O-N 3.33Å; D306-R308 PolarHBondContact O-N 3.36Å
309	L	97.8	Very high	97.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-103.5	-14	-169.6	-63.7	-172.9	0	0	0	114.2	G231 I234 W235 L238 I263 M305 D306 V311	G231-L309 CarbonylContact C-O 3.43Å; G231-L309 VanDerWaalsContact C-O 3.28Å; I234-L309 HydrophobicContact CB-CD2 3.94Å; I234-L309 HydrophobicContact CG2-CD2 3.44Å; I234-L309 VanDerWaalsContact CG2-CD2 3.44Å; W235-L309 HydrophobicContact CB-CB 4.28Å; W235-L309 HydrophobicContact CD2-CD1 4.49Å; W235-L309 HydrophobicContact CE3-CD1 3.78Å; W235-L309 HydrophobicContact CZ3-CD1 4.32Å; L238-L309 HydrophobicContact CD2-CD1 4.05Å; I263-L309 WeakPolarHBondContact O-CD2 3.3Å; M305-L309 HydrophobicContact CG-CD1 3.67Å; M305-L309 HydrophobicContact CG-CG 4.28Å; M305-L309 VanDerWaalsContact O-CB 3.31Å; M305-L309 WeakPolarHBondContact O-CB 3.47Å; M305-L309 PolarHBondContact O-N 2.75Å; M305-L309 HydrophobicContact SD-CD1 4.42Å; D306-L309 PolarHBondContact O-N 3.36Å; L309-V311 HydrophobicContact CB-CG1 3.83Å
310	K	97.1	Very high	97.6	Very high	112 Å²	112	58.3 Å²	58.3	49%	0.487	27%	0.272	S	S	.	.			trans	53.9	53.8	-177.3	-51.5	-52.3	-171.9	-164.8	0	111.2	E232 D306 L307	E232-K310 HydrophobicContact CG-CB 4.26Å; E232-K310 WeakPolarHBondContact OE1-CG 3.26Å; D306-K310 WeakPolarHBondContact O-CA 3.27Å; D306-K310 PolarHBondContact O-N 2.82Å; L307-K310 WeakPolarHBondContact O-CE 3.48Å; L307-K310 PolarHBondContact O-NZ 3.32Å
311	V	97.5	Very high	97.6	Very high	13 Å²	13	53.5 Å²	53.5	8%	0.079	25%	0.249	C	C	.	.			trans	-71.6	161.5	-177.9	-54.7	0	0	0	0	110.3	W235 M305 D306 L309 E315 K316	W235-V311 HydrophobicContact CD2-CG1 3.88Å; W235-V311 HydrophobicContact CE3-CG1 4.41Å; W235-V311 HydrophobicContact CG-CG1 4.18Å; W235-V311 HydrophobicContact CZ2-CG1 4Å; M305-V311 HydrophobicContact CE-CG1 4.14Å; M305-V311 HydrophobicContact CE-CG2 4.19Å; D306-V311 HydrophobicContact CB-CG2 3.97Å; D306-V311 WeakPolarHBondContact OD1-CG2 3.44Å; D306-V311 PolarHBondContact OD1-N 3.2Å; L309-V311 HydrophobicContact CB-CG1 3.83Å; V311-E315 HydrophobicContact CB-CB 4.05Å; V311-E315 HydrophobicContact CG2-CB 4.2Å; V311-K316 HydrophobicContact CG2-CB 4.05Å
312	S	97.3	Very high	97.6	Very high	55 Å²	55	52.5 Å²	52.5	39%	0.385	24%	0.243	S	C	.	.			trans	-66.9	157.6	175.1	66.3	0	0	0	0	111.4	E314 E315 K316	S312-E314 PolarHBondContact O-N 2.96Å; S312-E315 WeakPolarHBondContact CB-OE2 3.26Å; S312-E315 PolarHBondContact N-OE2 2.71Å; S312-E315 PolarHBondContact O-N 3.24Å; S312-E315 VanDerWaalsContact O-N 3.16Å; S312-E315 WeakPolarHBondContact OG-CB 3.26Å; S312-E315 WeakPolarHBondContact OG-CG 3.36Å; S312-E315 PolarHBondContact OG-N 2.89Å; S312-E315 PolarHBondContact OG-OE2 2.75Å; S312-K316 PolarHBondContact O-N 2.75Å
313	R	96.5	Very high	97.6	Very high	203 Å²	203	53.2 Å²	53.2	77%	0.766	25%	0.248	S	C	*	.	H	α-helix	trans	-57.6	-37.7	175.7	-176.2	178.2	177.3	-171.3	-3	112.4	N317	R313-N317 VanDerWaalsContact O-CB 3.29Å; R313-N317 WeakPolarHBondContact O-CB 3.49Å; R313-N317 PolarHBondContact O-N 3.25Å; R313-N317 PolarHBondContact O-ND2 2.95Å
314	E	96.4	Very high	97.6	Very high	106 Å²	106	55.7 Å²	55.7	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-48.8	176.2	-172.4	-171.2	156.4	0	0	111	K287 S312 K316 N317 L318	K287-E314 IonicContact NZ-OE1 3.68Å; K287-E314 PolarHBondContact NZ-OE1 3.46Å; S312-E314 PolarHBondContact O-N 2.96Å; E314-K316 PolarHBondContact O-N 3.29Å; E314-N317 PolarHBondContact O-N 3.15Å; E314-L318 WeakPolarHBondContact O-CB 3.42Å; E314-L318 PolarHBondContact O-N 3.29Å
315	E	97.8	Very high	97.5	Very high	31 Å²	31	50.7 Å²	50.7	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-46.6	177.6	-75	162.9	153.9	0	0	111.3	W235 K239 V289 V311 S312 L318 G319	W235-E315 HydrophobicContact CZ2-CG 4.2Å; W235-E315 WeakPolarHBondContact CZ2-OE1 3.36Å; W235-E315 VanDerWaalsContact NE1-CD 3.3Å; W235-E315 PolarHBondContact NE1-OE1 3.32Å; W235-E315 VanDerWaalsContact NE1-OE1 3.12Å; W235-E315 PolarHBondContact NE1-OE2 2.93Å; K239-E315 VanDerWaalsContact CD-OE1 3.31Å; K239-E315 WeakPolarHBondContact CD-OE1 3.46Å; K239-E315 IonicContact NZ-OE1 3.85Å; K239-E315 PolarHBondContact NZ-OE1 3.25Å; V289-E315 HydrophobicContact CG2-CB 3.77Å; V289-E315 HydrophobicContact CG2-CG 4.04Å; V311-E315 HydrophobicContact CB-CB 4.05Å; V311-E315 HydrophobicContact CG2-CB 4.2Å; S312-E315 WeakPolarHBondContact CB-OE2 3.26Å; S312-E315 PolarHBondContact N-OE2 2.71Å; S312-E315 PolarHBondContact O-N 3.24Å; S312-E315 VanDerWaalsContact O-N 3.16Å; S312-E315 WeakPolarHBondContact OG-CB 3.26Å; S312-E315 WeakPolarHBondContact OG-CG 3.36Å; S312-E315 PolarHBondContact OG-N 2.89Å; S312-E315 PolarHBondContact OG-OE2 2.75Å; E315-L318 PolarHBondContact O-N 3.05Å; E315-G319 PolarHBondContact O-N 3.2Å; E315-G319 VanDerWaalsContact O-N 3.08Å
316	K	97.9	Very high	97.4	Very high	41 Å²	41	52.5 Å²	52.5	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-50.7	176.1	-178.1	-175.3	-171.2	152.1	0	112.2	V302 E303 D306 V311 S312 E314 L318 G319 L320	V302-K316 HydrophobicContact CG1-CG 4.39Å; E303-K316 WeakPolarHBondContact OE1-CE 3.29Å; E303-K316 IonicContact OE1-NZ 2.72Å; E303-K316 PolarHBondContact OE1-NZ 3.01Å; E303-K316 WeakPolarHBondContact OE2-CE 3.2Å; E303-K316 IonicContact OE2-NZ 3.4Å; E303-K316 PolarHBondContact OE2-NZ 3.12Å; D306-K316 HydrophobicContact CB-CD 4.35Å; D306-K316 HydrophobicContact CB-CG 4.46Å; D306-K316 WeakPolarHBondContact OD2-CD 3.17Å; D306-K316 WeakPolarHBondContact OD2-CE 3.35Å; D306-K316 IonicContact OD2-NZ 2.66Å; D306-K316 PolarHBondContact OD2-NZ 3.17Å; V311-K316 HydrophobicContact CG2-CB 4.05Å; S312-K316 PolarHBondContact O-N 2.75Å; E314-K316 PolarHBondContact O-N 3.29Å; K316-L318 VanDerWaalsContact C-N 3.29Å; K316-L318 PolarHBondContact O-N 3.46Å; K316-G319 PolarHBondContact O-N 3.16Å; K316-G319 VanDerWaalsContact O-N 3.16Å; K316-L320 HydrophobicContact CG-CD1 4.17Å; K316-L320 WeakPolarHBondContact O-CG 3.41Å; K316-L320 PolarHBondContact O-N 3.17Å
317	N	97.7	Very high	97.1	Very high	48 Å²	48	58.1 Å²	58.1	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-37.2	-177.8	-74.5	-10.2	0	0	0	111.9	R313 E314 F321	R313-N317 VanDerWaalsContact O-CB 3.29Å; R313-N317 WeakPolarHBondContact O-CB 3.49Å; R313-N317 PolarHBondContact O-N 3.25Å; R313-N317 PolarHBondContact O-ND2 2.95Å; E314-N317 PolarHBondContact O-N 3.15Å; N317-F321 VanDerWaalsContact O-CB 3.28Å; N317-F321 WeakPolarHBondContact O-CB 3.25Å; N317-F321 PolarHBondContact O-N 3.01Å
318	L	98.2	Very high	96.9	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-46.1	173.6	176.4	60.8	0	0	0	111.4	K287 V289 E314 E315 K316 L320 F321 L322 K357 E360	K287-L318 HydrophobicContact CB-CD2 3.88Å; K287-L318 HydrophobicContact CD-CD2 3.56Å; K287-L318 HydrophobicContact CG-CD2 4.33Å; V289-L318 HydrophobicContact CB-CD2 4.19Å; V289-L318 HydrophobicContact CG1-CG 4.36Å; E314-L318 WeakPolarHBondContact O-CB 3.42Å; E314-L318 PolarHBondContact O-N 3.29Å; E315-L318 PolarHBondContact O-N 3.05Å; K316-L318 VanDerWaalsContact C-N 3.29Å; K316-L318 PolarHBondContact O-N 3.46Å; L318-L320 PolarHBondContact O-N 2.81Å; L318-F321 PolarHBondContact O-N 2.97Å; L318-L322 HydrophobicContact CD1-CD1 3.95Å; L318-L322 HydrophobicContact CD1-CG 4.03Å; L318-L322 HydrophobicContact CG-CD1 4.03Å; L318-L322 HydrophobicContact CG-CG 4.49Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.13Å; L318-K357 HydrophobicContact CD1-CB 4.42Å; L318-K357 HydrophobicContact CD1-CG 4.09Å; L318-E360 HydrophobicContact CD1-CB 3.88Å; L318-E360 HydrophobicContact CD1-CG 4.14Å; L318-E360 HydrophobicContact CD2-CG 4.22Å
319	G	97.9	Very high	96.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-46.2	177.3	0	0	0	0	0	112.4	V289 E315 K316 F321 L322 V323	V289-G319 VanDerWaalsContact CG1-CA 3.45Å; E315-G319 PolarHBondContact O-N 3.2Å; E315-G319 VanDerWaalsContact O-N 3.08Å; K316-G319 PolarHBondContact O-N 3.16Å; K316-G319 VanDerWaalsContact O-N 3.16Å; G319-F321 VanDerWaalsContact C-N 3.34Å; G319-F321 PolarHBondContact O-N 3.24Å; G319-L322 PolarHBondContact O-N 3.47Å; G319-V323 WeakPolarHBondContact O-CG2 3.5Å; G319-V323 PolarHBondContact O-N 3.24Å
320	L	98.2	Very high	96.3	Very high	40 Å²	40	61.1 Å²	61.1	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-42.4	176.1	-69.8	173.6	0	0	0	112	V302 K316 L318 K324	V302-L320 HydrophobicContact CB-CD2 3.94Å; V302-L320 HydrophobicContact CB-CG 4.37Å; V302-L320 HydrophobicContact CG1-CD2 4.13Å; V302-L320 HydrophobicContact CG1-CG 4.01Å; V302-L320 HydrophobicContact CG2-CD2 4.36Å; K316-L320 HydrophobicContact CG-CD1 4.17Å; K316-L320 WeakPolarHBondContact O-CG 3.41Å; K316-L320 PolarHBondContact O-N 3.17Å; L318-L320 PolarHBondContact O-N 2.81Å; L320-K324 WeakPolarHBondContact O-CB 3.22Å; L320-K324 PolarHBondContact O-N 3.36Å; L320-K324 VanDerWaalsContact O-N 3.1Å
321	F	98.1	Very high	95.9	Very high	15 Å²	15	59.6 Å²	59.6	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-50.5	177.1	171.1	-97	0	0	0	111.6	N317 L318 G319 K324 H325 L329 F345 K357 V358 L361	N317-F321 VanDerWaalsContact O-CB 3.28Å; N317-F321 WeakPolarHBondContact O-CB 3.25Å; N317-F321 PolarHBondContact O-N 3.01Å; L318-F321 PolarHBondContact O-N 2.97Å; G319-F321 VanDerWaalsContact C-N 3.34Å; G319-F321 PolarHBondContact O-N 3.24Å; F321-K324 PolarHBondContact O-N 3.28Å; F321-H325 AromaticContact CD2-CD2 3.37Å; F321-H325 WeakPolarHBondContact CD2-CD2 3.39Å; F321-H325 HydrophobicContact CE2-CB 4.19Å; F321-H325 AromaticContact CE2-CD2 3.49Å; F321-H325 VanDerWaalsContact CE2-CD2 3.49Å; F321-H325 WeakPolarHBondContact CE2-CD2 3.48Å; F321-H325 AromaticContact CE2-CG 3.92Å; F321-H325 HydrophobicContact CZ-CB 4.33Å; F321-H325 WeakPolarHBondContact O-CB 3.33Å; F321-H325 PolarHBondContact O-CD2 3.31Å; F321-H325 PolarHBondContact O-N 2.95Å; F321-L329 HydrophobicContact CZ-CD2 4.26Å; F321-F345 HydrophobicContact CD2-CE1 4.33Å; F321-F345 HydrophobicContact CD2-CZ 4.05Å; F321-F345 HydrophobicContact CE2-CD1 4.3Å; F321-F345 AromaticContact CE2-CE1 3.44Å; F321-F345 HydrophobicContact CE2-CE1 3.44Å; F321-F345 VanDerWaalsContact CE2-CE1 3.44Å; F321-F345 HydrophobicContact CE2-CE2 4.19Å; F321-F345 AromaticContact CE2-CZ 3.39Å; F321-F345 HydrophobicContact CE2-CZ 3.39Å; F321-F345 HydrophobicContact CZ-CE1 4.09Å; F321-F345 HydrophobicContact CZ-CZ 4.4Å; F321-K357 HydrophobicContact CB-CD 4.14Å; F321-K357 HydrophobicContact CD1-CB 3.63Å; F321-K357 HydrophobicContact CD1-CD 4.45Å; F321-K357 HydrophobicContact CD1-CG 4.28Å; F321-K357 HydrophobicContact CD2-CB 4.46Å; F321-K357 HydrophobicContact CD2-CD 4.37Å; F321-K357 HydrophobicContact CE1-CB 3.68Å; F321-K357 VanDerWaalsContact CE1-O 3.29Å; F321-K357 WeakPolarHBondContact CE1-O 3.37Å; F321-K357 HydrophobicContact CG-CB 4.03Å; F321-K357 HydrophobicContact CG-CD 4.05Å; F321-K357 HydrophobicContact CG-CG 4.37Å; F321-K357 HydrophobicContact CZ-CB 4.17Å; F321-V358 HydrophobicContact CZ-CG2 4.09Å; F321-L361 HydrophobicContact CE1-CB 3.86Å; F321-L361 HydrophobicContact CE1-CD2 4.16Å; F321-L361 HydrophobicContact CZ-CB 4.5Å; F321-L361 HydrophobicContact CZ-CD2 4.07Å
322	L	97.8	Very high	95.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-49	-178.3	-70.4	172.1	0	0	0	111.6	T290 L318 G319 K324 H325 R326 L361	T290-L322 HydrophobicContact CG2-CD1 4.19Å; L318-L322 HydrophobicContact CD1-CD1 3.95Å; L318-L322 HydrophobicContact CD1-CG 4.03Å; L318-L322 HydrophobicContact CG-CD1 4.03Å; L318-L322 HydrophobicContact CG-CG 4.49Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.13Å; G319-L322 PolarHBondContact O-N 3.47Å; L322-K324 PolarHBondContact O-N 3.29Å; L322-H325 PolarHBondContact O-N 3.17Å; L322-R326 WeakPolarHBondContact O-CB 3.32Å; L322-R326 WeakPolarHBondContact O-CG 3.39Å; L322-R326 PolarHBondContact O-N 3.08Å; L322-L361 HydrophobicContact CD2-CB 3.86Å; L322-L361 HydrophobicContact CD2-CD1 4.22Å
323	V	97.4	Very high	93.9	Very high	16 Å²	16	67.2 Å²	67.2	10%	0.097	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-36.7	179.8	173.6	0	0	0	0	111.5	F296 V302 G319	F296-V323 HydrophobicContact CB-CG2 3.77Å; F296-V323 HydrophobicContact CD2-CG2 4.17Å; F296-V323 HydrophobicContact CG-CG2 4.5Å; V302-V323 HydrophobicContact CG2-CG2 3.95Å; G319-V323 WeakPolarHBondContact O-CG2 3.5Å; G319-V323 PolarHBondContact O-N 3.24Å
324	K	96.9	Very high	92.8	Very high	134 Å²	134	64.9 Å²	64.9	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-73	-39.8	178.4	-178.4	178.9	173.4	-167	0	113.3	L320 F321 L322	L320-K324 WeakPolarHBondContact O-CB 3.22Å; L320-K324 PolarHBondContact O-N 3.36Å; L320-K324 VanDerWaalsContact O-N 3.1Å; F321-K324 PolarHBondContact O-N 3.28Å; L322-K324 PolarHBondContact O-N 3.29Å
325	H	96.6	Very high	91.6	Very high	31 Å²	31	62 Å²	62	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-109.1	-10.5	-166	-69.4	-72	0	0	0	114.7	F321 L322 Q327 D328 L329 F345 L361	F321-H325 AromaticContact CD2-CD2 3.37Å; F321-H325 WeakPolarHBondContact CD2-CD2 3.39Å; F321-H325 HydrophobicContact CE2-CB 4.19Å; F321-H325 AromaticContact CE2-CD2 3.49Å; F321-H325 VanDerWaalsContact CE2-CD2 3.49Å; F321-H325 WeakPolarHBondContact CE2-CD2 3.48Å; F321-H325 AromaticContact CE2-CG 3.92Å; F321-H325 HydrophobicContact CZ-CB 4.33Å; F321-H325 WeakPolarHBondContact O-CB 3.33Å; F321-H325 PolarHBondContact O-CD2 3.31Å; F321-H325 PolarHBondContact O-N 2.95Å; L322-H325 PolarHBondContact O-N 3.17Å; H325-Q327 PolarHBondContact O-N 3.18Å; H325-Q327 VanDerWaalsContact O-N 3.1Å; H325-D328 PolarHBondContact O-N 3.41Å; H325-L329 HydrophobicContact CB-CB 4.03Å; H325-L329 WeakPolarHBondContact O-CB 3.42Å; H325-L329 PolarHBondContact O-N 3.25Å; H325-F345 AromaticContact CE1-CE2 3.78Å; H325-F345 AromaticContact NE2-CE2 3.93Å; H325-L361 HydrophobicContact CB-CD2 4.37Å
326	R	94.9	Very high	90.5	Very high	37 Å²	37	66.1 Å²	66.1	14%	0.14	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.2	-176.7	64.4	-176.6	178.8	-173.9	-4.7	115.3	S293 F296 L322 L361 Y364 Q365	S293-R326 PolarHBondContact O-NH1 3.46Å; F296-R326 PolarHBondContact O-NH1 3.27Å; F296-R326 VanDerWaalsContact O-NH1 3.12Å; F296-R326 PolarHBondContact O-NH2 3.28Å; L322-R326 WeakPolarHBondContact O-CB 3.32Å; L322-R326 WeakPolarHBondContact O-CG 3.39Å; L322-R326 PolarHBondContact O-N 3.08Å; R326-L361 HydrophobicContact CB-CD1 4.13Å; R326-Y364 HydrophobicContact CB-CD1 4.08Å; R326-Y364 HydrophobicContact CB-CE1 3.85Å; R326-Y364 WeakPolarHBondContact CD-OH 3.28Å; R326-Y364 HydrophobicContact CG-CE1 4.41Å; R326-Y364 PolarHBondContact NH1-OH 3.15Å; R326-Q365 PolarHBondContact O-NE2 2.64Å
327	Q	91.7	Very high	89.7	Confident	151 Å²	151	65.9 Å²	65.9	71%	0.706	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-37.5	179.1	-67.7	-179.4	-7.6	0	0	112.8	H325 H330	H325-Q327 PolarHBondContact O-N 3.18Å; H325-Q327 VanDerWaalsContact O-N 3.1Å; Q327-H330 PolarHBondContact O-CD2 3.21Å; Q327-H330 VanDerWaalsContact O-CD2 3.3Å
328	D	92.7	Very high	89.3	Confident	128 Å²	128	65.5 Å²	65.5	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-29.2	-168.7	-59.4	-28.1	0	0	0	113.7	H325 H330	H325-D328 PolarHBondContact O-N 3.41Å; D328-H330 PolarHBondContact O-N 2.85Å
329	L	93.3	Very high	88.9	Confident	16 Å²	16	66 Å²	66	8%	0.084	34%	0.336	C	S	.	.	S	Bend	trans	-94.9	83.9	179.6	-177.4	58.3	0	0	0	109.3	F321 H325 P341 Y342 F345 L361 Q365	F321-L329 HydrophobicContact CZ-CD2 4.26Å; H325-L329 HydrophobicContact CB-CB 4.03Å; H325-L329 WeakPolarHBondContact O-CB 3.42Å; H325-L329 PolarHBondContact O-N 3.25Å; L329-P341 HydrophobicContact CD1-CB 4.11Å; L329-P341 WeakPolarHBondContact CD1-O 3.07Å; L329-Y342 HydrophobicContact CD1-CD1 4.3Å; L329-Y342 HydrophobicContact CD2-CD1 4.28Å; L329-Y342 HydrophobicContact CG-CD1 3.93Å; L329-Y342 HydrophobicContact CG-CE1 4.09Å; L329-Y342 WeakPolarHBondContact O-CE1 3.29Å; L329-F345 HydrophobicContact CD1-CB 4.22Å; L329-F345 HydrophobicContact CD2-CB 4.04Å; L329-F345 HydrophobicContact CD2-CD1 4.22Å; L329-F345 HydrophobicContact CD2-CD2 4.04Å; L329-F345 HydrophobicContact CD2-CG 3.8Å; L329-L361 HydrophobicContact CB-CD2 3.93Å; L329-L361 HydrophobicContact CD2-CD2 3.62Å; L329-L361 HydrophobicContact CG-CD2 3.84Å; L329-Q365 PolarHBondContact O-NE2 2.98Å
330	H	91.4	Very high	88.5	Confident	101 Å²	101	67.4 Å²	67.4	47%	0.468	34%	0.343	S	S	.	.			trans	-128.3	163.5	-179.8	62.6	78.7	0	0	0	111.5	Q327 D328 S332 Y342	Q327-H330 PolarHBondContact O-CD2 3.21Å; Q327-H330 VanDerWaalsContact O-CD2 3.3Å; D328-H330 PolarHBondContact O-N 2.85Å; H330-S332 PolarHBondContact O-N 3.02Å; H330-Y342 WeakPolarHBondContact CA-OH 3.36Å
331	K	88	Confident	88.2	Confident	80 Å²	80	67 Å²	67	35%	0.348	34%	0.342	S	S	.	.			trans	-56.1	135.8	170.6	67.6	-170.1	179.7	-160.1	0	110.6	Y342 E367 L370	K331-Y342 HydrophobicContact CB-CE2 4.38Å; K331-Y342 PolarHBondContact N-OH 3.08Å; K331-E367 WeakPolarHBondContact CD-OE1 3.21Å; K331-E367 WeakPolarHBondContact CE-OE1 3.23Å; K331-E367 IonicContact NZ-OE1 3.49Å; K331-E367 PolarHBondContact NZ-OE1 3.27Å; K331-E367 IonicContact NZ-OE2 3.03Å; K331-E367 PolarHBondContact NZ-OE2 3.24Å; K331-L370 HydrophobicContact CB-CD1 4.13Å; K331-L370 HydrophobicContact CD-CD1 4.21Å
332	S	80.3	Confident	87.9	Confident	39 Å²	39	66.3 Å²	66.3	27%	0.273	34%	0.339	S	S	.	.			trans	-69.6	139.5	174.3	-177.9	0	0	0	0	109.7	H330 D334 D335	H330-S332 PolarHBondContact O-N 3.02Å; S332-D334 VanDerWaalsContact C-N 3.28Å; S332-D334 PolarHBondContact OG-N 3.08Å; S332-D335 PolarHBondContact OG-N 3.02Å
333	Q	73.3	Confident	87.7	Confident	189 Å²	189	66.6 Å²	66.6	88%	0.883	34%	0.341	S	S	*	.	S	Bend	trans	-75.3	-23.4	171.5	-66.6	-169.9	1.8	0	0	112
334	D	72	Confident	87.3	Confident	154 Å²	154	67.2 Å²	67.2	82%	0.824	34%	0.344	S	S	*	.	S	Bend	trans	-102.9	-12.9	-171.9	-59.1	-45.3	0	0	0	113.5	S332	S332-D334 VanDerWaalsContact C-N 3.28Å; S332-D334 PolarHBondContact OG-N 3.08Å
335	D	72.2	Confident	87.1	Confident	47 Å²	47	63.1 Å²	63.1	25%	0.251	33%	0.326	S	S	.	.			trans	-95.3	125.4	178	-160.8	-33.9	0	0	0	110.1	S332 D337 K340	S332-D335 PolarHBondContact OG-N 3.02Å; D335-D337 PolarHBondContact O-N 3.33Å; D335-D337 VanDerWaalsContact O-N 3.16Å; D335-D337 PolarHBondContact OD1-N 2.97Å; D335-K340 VanDerWaalsContact OD2-CD 3.25Å; D335-K340 WeakPolarHBondContact OD2-CD 3.48Å
336	P	74.4	Confident	87	Confident	117 Å²	117	62 Å²	62	76%	0.76	32%	0.321	S	S	*	.	S	Bend	trans	-60	-20.6	172.2	24.1	-34.3	0	0	0	113.2
337	D	81.6	Confident	86.7	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.193	32%	0.322	C	S	.	.			trans	-97.6	91.3	173.3	-170	-11.4	0	0	0	111.3	D335 L339 K340 R415	D335-D337 PolarHBondContact O-N 3.33Å; D335-D337 VanDerWaalsContact O-N 3.16Å; D335-D337 PolarHBondContact OD1-N 2.97Å; D337-L339 PolarHBondContact O-N 2.92Å; D337-L339 WeakPolarHBondContact OD1-CB 3.42Å; D337-L339 PolarHBondContact OD1-N 3.34Å; D337-K340 HydrophobicContact CB-CB 4.08Å; D337-K340 WeakPolarHBondContact O-CB 3.37Å; D337-K340 PolarHBondContact O-N 3.34Å; D337-K340 PolarHBondContact OD1-N 3.04Å; D337-R415 IonicContact OD2-NE 2.79Å
338	S	88.5	Confident	86.5	Confident	39 Å²	39	59.5 Å²	59.5	27%	0.273	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.3	178.1	-67.7	0	0	0	0	114
339	L	89.6	Confident	86.3	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-21.9	-179.6	-157.9	69.3	0	0	0	112.1	D337 Y342 T343 L370 E373 M374	D337-L339 PolarHBondContact O-N 2.92Å; D337-L339 WeakPolarHBondContact OD1-CB 3.42Å; D337-L339 PolarHBondContact OD1-N 3.34Å; L339-Y342 WeakPolarHBondContact O-CB 3.18Å; L339-Y342 PolarHBondContact O-N 3.16Å; L339-T343 HydrophobicContact CD2-CG2 4.08Å; L339-T343 HydrophobicContact CG-CG2 4.05Å; L339-T343 PolarHBondContact O-N 3.26Å; L339-T343 VanDerWaalsContact O-N 3.08Å; L339-L370 HydrophobicContact CD1-CB 4.1Å; L339-L370 HydrophobicContact CD1-CD2 4.13Å; L339-E373 HydrophobicContact CD1-CB 4.4Å; L339-E373 HydrophobicContact CD2-CB 4.18Å; L339-M374 HydrophobicContact CD1-CB 4.21Å; L339-M374 HydrophobicContact CD1-CE 3.78Å; L339-M374 HydrophobicContact CD2-CE 4.35Å; L339-M374 HydrophobicContact CG-CE 3.92Å
340	K	88.9	Confident	85.8	Confident	31 Å²	31	65.9 Å²	65.9	14%	0.135	33%	0.333	C	S	.	.	H	α-helix	trans	-52.2	-47.1	-172	-166.8	-169.9	-173.5	-44.1	0	114.5	D335 D337 Y342 T343 D344	D335-K340 VanDerWaalsContact OD2-CD 3.25Å; D335-K340 WeakPolarHBondContact OD2-CD 3.48Å; D337-K340 HydrophobicContact CB-CB 4.08Å; D337-K340 WeakPolarHBondContact O-CB 3.37Å; D337-K340 PolarHBondContact O-N 3.34Å; D337-K340 PolarHBondContact OD1-N 3.04Å; K340-Y342 PolarHBondContact O-N 3.47Å; K340-T343 WeakPolarHBondContact CA-OG1 3.48Å; K340-T343 PolarHBondContact O-N 2.94Å; K340-T343 PolarHBondContact O-OG1 2.93Å; K340-D344 IonicContact NZ-OD1 3.98Å; K340-D344 PolarHBondContact NZ-OD1 2.94Å; K340-D344 IonicContact NZ-OD2 3.85Å; K340-D344 PolarHBondContact NZ-OD2 2.79Å; K340-D344 WeakPolarHBondContact O-CB 3.41Å; K340-D344 PolarHBondContact O-N 3.28Å
341	P	92.1	Very high	85.6	Confident	31 Å²	31	65.6 Å²	65.6	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-36.2	179.6	-25.3	36.3	0	0	0	112.7	L329 F345	L329-P341 HydrophobicContact CD1-CB 4.11Å; L329-P341 WeakPolarHBondContact CD1-O 3.07Å; P341-F345 WeakPolarHBondContact O-CB 3.3Å; P341-F345 PolarHBondContact O-N 3.38Å; P341-F345 VanDerWaalsContact O-N 3.08Å
342	Y	93.4	Very high	85.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-75.3	-43.2	-179.7	-55	-82.3	0	0	0	112.1	L329 H330 K331 L339 K340 D344 F345 I346 V358 L361 L362 Q365 L370	L329-Y342 HydrophobicContact CD1-CD1 4.3Å; L329-Y342 HydrophobicContact CD2-CD1 4.28Å; L329-Y342 HydrophobicContact CG-CD1 3.93Å; L329-Y342 HydrophobicContact CG-CE1 4.09Å; L329-Y342 WeakPolarHBondContact O-CE1 3.29Å; H330-Y342 WeakPolarHBondContact CA-OH 3.36Å; K331-Y342 HydrophobicContact CB-CE2 4.38Å; K331-Y342 PolarHBondContact N-OH 3.08Å; L339-Y342 WeakPolarHBondContact O-CB 3.18Å; L339-Y342 PolarHBondContact O-N 3.16Å; K340-Y342 PolarHBondContact O-N 3.47Å; Y342-D344 VanDerWaalsContact C-N 3.35Å; Y342-F345 WeakPolarHBondContact O-CB 3.48Å; Y342-F345 PolarHBondContact O-N 2.81Å; Y342-I346 VanDerWaalsContact O-CG1 3.32Å; Y342-I346 WeakPolarHBondContact O-CG1 3.48Å; Y342-I346 PolarHBondContact O-N 3.16Å; Y342-V358 HydrophobicContact CD1-CG1 3.93Å; Y342-V358 HydrophobicContact CG-CG1 4.24Å; Y342-L361 HydrophobicContact CE1-CD2 4.23Å; Y342-L362 HydrophobicContact CD1-CD2 4.01Å; Y342-L362 HydrophobicContact CD1-CG 4.4Å; Y342-L362 HydrophobicContact CD2-CD2 4.26Å; Y342-L362 HydrophobicContact CE1-CD2 3.55Å; Y342-L362 HydrophobicContact CE1-CG 4.24Å; Y342-L362 HydrophobicContact CE2-CD2 3.85Å; Y342-L362 HydrophobicContact CG-CD2 4.33Å; Y342-L362 VanDerWaalsContact CZ-CD2 3.45Å; Y342-Q365 PolarHBondContact OH-OE1 3.27Å; Y342-L370 HydrophobicContact CE2-CD1 4.01Å
343	T	91.6	Very high	85.9	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.043	36%	0.359	C	S	.	.	H	α-helix	trans	-67	-37.8	175.8	53.4	0	0	0	0	112	L339 K340 F345 I346 I347 M374 W377	L339-T343 HydrophobicContact CD2-CG2 4.08Å; L339-T343 HydrophobicContact CG-CG2 4.05Å; L339-T343 PolarHBondContact O-N 3.26Å; L339-T343 VanDerWaalsContact O-N 3.08Å; K340-T343 WeakPolarHBondContact CA-OG1 3.48Å; K340-T343 PolarHBondContact O-N 2.94Å; K340-T343 PolarHBondContact O-OG1 2.93Å; T343-F345 VanDerWaalsContact C-N 3.33Å; T343-I346 PolarHBondContact O-N 3.48Å; T343-I347 PolarHBondContact O-N 2.82Å; T343-M374 HydrophobicContact CG2-CE 3.97Å; T343-W377 HydrophobicContact CG2-CD2 3.98Å; T343-W377 HydrophobicContact CG2-CE3 4.26Å; T343-W377 HydrophobicContact CG2-CH2 4.06Å; T343-W377 HydrophobicContact CG2-CZ2 3.76Å; T343-W377 HydrophobicContact CG2-CZ3 4.29Å
344	D	90.7	Very high	86.9	Confident	28 Å²	28	60.6 Å²	60.6	15%	0.15	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-49.5	172.4	-76.5	2	0	0	0	110.1	K340 Y342 I346 I347 D348 K412 Y416	K340-D344 IonicContact NZ-OD1 3.98Å; K340-D344 PolarHBondContact NZ-OD1 2.94Å; K340-D344 IonicContact NZ-OD2 3.85Å; K340-D344 PolarHBondContact NZ-OD2 2.79Å; K340-D344 WeakPolarHBondContact O-CB 3.41Å; K340-D344 PolarHBondContact O-N 3.28Å; Y342-D344 VanDerWaalsContact C-N 3.35Å; D344-I346 PolarHBondContact O-N 3.42Å; D344-I347 PolarHBondContact O-N 2.8Å; D344-D348 WeakPolarHBondContact O-CB 3.32Å; D344-D348 VanDerWaalsContact O-CG 3.24Å; D344-D348 PolarHBondContact O-N 3.32Å; D344-K412 VanDerWaalsContact CB-CE 3.46Å; D344-K412 WeakPolarHBondContact OD1-CE 3.48Å; D344-K412 WeakPolarHBondContact OD2-CE 3.4Å; D344-K412 IonicContact OD2-NZ 3.83Å; D344-Y416 WeakPolarHBondContact CA-OH 3.02Å; D344-Y416 PolarHBondContact N-OH 3.37Å; D344-Y416 PolarHBondContact OD1-OH 3.06Å
345	F	93	Very high	87.9	Confident	49 Å²	49	55.6 Å²	55.6	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-58.7	-45.4	176.5	-179.1	-87.8	0	0	0	112.4	F321 H325 L329 P341 Y342 T343 S349 V358	F321-F345 HydrophobicContact CD2-CE1 4.33Å; F321-F345 HydrophobicContact CD2-CZ 4.05Å; F321-F345 HydrophobicContact CE2-CD1 4.3Å; F321-F345 AromaticContact CE2-CE1 3.44Å; F321-F345 HydrophobicContact CE2-CE1 3.44Å; F321-F345 VanDerWaalsContact CE2-CE1 3.44Å; F321-F345 HydrophobicContact CE2-CE2 4.19Å; F321-F345 AromaticContact CE2-CZ 3.39Å; F321-F345 HydrophobicContact CE2-CZ 3.39Å; F321-F345 HydrophobicContact CZ-CE1 4.09Å; F321-F345 HydrophobicContact CZ-CZ 4.4Å; H325-F345 AromaticContact CE1-CE2 3.78Å; H325-F345 AromaticContact NE2-CE2 3.93Å; L329-F345 HydrophobicContact CD1-CB 4.22Å; L329-F345 HydrophobicContact CD2-CB 4.04Å; L329-F345 HydrophobicContact CD2-CD1 4.22Å; L329-F345 HydrophobicContact CD2-CD2 4.04Å; L329-F345 HydrophobicContact CD2-CG 3.8Å; P341-F345 WeakPolarHBondContact O-CB 3.3Å; P341-F345 PolarHBondContact O-N 3.38Å; P341-F345 VanDerWaalsContact O-N 3.08Å; Y342-F345 WeakPolarHBondContact O-CB 3.48Å; Y342-F345 PolarHBondContact O-N 2.81Å; T343-F345 VanDerWaalsContact C-N 3.33Å; F345-S349 WeakPolarHBondContact O-CB 3.5Å; F345-S349 PolarHBondContact O-N 3.29Å; F345-V358 HydrophobicContact CD1-CG2 3.81Å; F345-V358 HydrophobicContact CE1-CG2 4.36Å
346	I	92.7	Very high	89.1	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-43.1	-178.3	-66.9	162.5	0	0	0	111.5	Y342 T343 D344 S349 A354 Q355 V358 M374 W377 I379	Y342-I346 VanDerWaalsContact O-CG1 3.32Å; Y342-I346 WeakPolarHBondContact O-CG1 3.48Å; Y342-I346 PolarHBondContact O-N 3.16Å; T343-I346 PolarHBondContact O-N 3.48Å; D344-I346 PolarHBondContact O-N 3.42Å; I346-S349 PolarHBondContact O-N 3.36Å; I346-A354 HydrophobicContact CG1-CB 4.44Å; I346-A354 HydrophobicContact CG2-CB 4.33Å; I346-Q355 HydrophobicContact CD1-CB 4.03Å; I346-Q355 HydrophobicContact CD1-CG 4.09Å; I346-Q355 HydrophobicContact CG1-CB 4.49Å; I346-Q355 HydrophobicContact CG2-CB 4.38Å; I346-V358 HydrophobicContact CD1-CB 4.09Å; I346-V358 HydrophobicContact CD1-CG1 4.09Å; I346-V358 HydrophobicContact CD1-CG2 4.14Å; I346-V358 HydrophobicContact CG1-CB 4.3Å; I346-V358 HydrophobicContact CG1-CG2 3.84Å; I346-M374 HydrophobicContact CD1-CE 3.79Å; I346-M374 HydrophobicContact CD1-SD 3.41Å; I346-M374 WeakPolarHBondContact CD1-SD 3.01Å; I346-W377 HydrophobicContact CB-CH2 4.46Å; I346-W377 HydrophobicContact CB-CZ3 4.23Å; I346-W377 HydrophobicContact CD1-CE3 4.46Å; I346-W377 HydrophobicContact CD1-CZ3 3.89Å; I346-W377 HydrophobicContact CG2-CH2 4.28Å; I346-W377 HydrophobicContact CG2-CZ3 3.93Å; I346-I379 HydrophobicContact CG2-CD1 3.86Å; I346-I379 HydrophobicContact CG2-CG1 4.02Å
347	I	89.4	Confident	90.1	Very high	32 Å²	32	50.5 Å²	50.5	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-72.9	-34.7	-176.7	-76	168.1	0	0	0	112.1	T343 D344 S349 W377 I379 P380 W411 Y416	T343-I347 PolarHBondContact O-N 2.82Å; D344-I347 PolarHBondContact O-N 2.8Å; I347-S349 VanDerWaalsContact C-N 3.31Å; I347-W377 HydrophobicContact CD1-CH2 3.85Å; I347-W377 HydrophobicContact CD1-CZ2 3.83Å; I347-W377 HydrophobicContact CG1-CH2 4.01Å; I347-W377 HydrophobicContact CG1-CZ2 4.48Å; I347-I379 HydrophobicContact CG1-CG2 4.43Å; I347-P380 HydrophobicContact CD1-CG 4.23Å; I347-W411 HydrophobicContact CG2-CZ3 4.34Å; I347-Y416 HydrophobicContact CB-CE1 4.36Å; I347-Y416 HydrophobicContact CD1-CD1 3.48Å; I347-Y416 VanDerWaalsContact CD1-CD1 3.48Å; I347-Y416 HydrophobicContact CD1-CD2 3.75Å; I347-Y416 HydrophobicContact CD1-CE1 3.25Å; I347-Y416 HydrophobicContact CD1-CE2 3.55Å; I347-Y416 HydrophobicContact CD1-CG 3.69Å; I347-Y416 HydrophobicContact CG1-CE1 4.36Å; I347-Y416 HydrophobicContact CG2-CE1 4.09Å
348	D	88.2	Confident	90.9	Very high	102 Å²	102	48.8 Å²	48.8	55%	0.545	25%	0.25	S	S	.	.	H	α-helix	trans	-78.1	-21.7	176.2	-65.1	-20.4	0	0	0	111.8	D344 K412	D344-D348 WeakPolarHBondContact O-CB 3.32Å; D344-D348 VanDerWaalsContact O-CG 3.24Å; D344-D348 PolarHBondContact O-N 3.32Å; D348-K412 IonicContact OD1-NZ 3.44Å; D348-K412 IonicContact OD2-NZ 2.71Å; D348-K412 PolarHBondContact OD2-NZ 3.1Å
349	S	88.4	Confident	91.3	Very high	30 Å²	30	47.8 Å²	47.8	21%	0.21	24%	0.243	C	C	.	.			trans	-69.8	141.3	176.2	-173.8	0	0	0	0	111.9	F345 I346 I347 E351	F345-S349 WeakPolarHBondContact O-CB 3.5Å; F345-S349 PolarHBondContact O-N 3.29Å; I346-S349 PolarHBondContact O-N 3.36Å; I347-S349 VanDerWaalsContact C-N 3.31Å; S349-E351 VanDerWaalsContact C-N 3.33Å; S349-E351 WeakPolarHBondContact OG-CB 3.12Å; S349-E351 PolarHBondContact OG-N 3.23Å; S349-E351 VanDerWaalsContact OG-N 3.13Å
350	R	82.2	Confident	91.7	Very high	249 Å²	249	47.5 Å²	47.5	94%	0.94	24%	0.241	S	C	*	.			trans	-92.6	0.7	172.3	-60.7	-177.8	-177.2	-180	0.9	112.4
351	E	86.7	Confident	92.1	Very high	95 Å²	95	46 Å²	46	44%	0.444	24%	0.235	S	C	.	.			trans	-88	129.8	-174.8	-58.2	-175.2	166	0	0	110.9	S349 D353 A354 K357	S349-E351 VanDerWaalsContact C-N 3.33Å; S349-E351 WeakPolarHBondContact OG-CB 3.12Å; S349-E351 PolarHBondContact OG-N 3.23Å; S349-E351 VanDerWaalsContact OG-N 3.13Å; E351-D353 PolarHBondContact O-N 3.3Å; E351-A354 HydrophobicContact CB-CB 4.38Å; E351-A354 WeakPolarHBondContact O-CB 3.35Å; E351-A354 PolarHBondContact O-N 3.33Å; E351-K357 IonicContact OE2-NZ 2.65Å; E351-K357 PolarHBondContact OE2-NZ 3.43Å
352	V	83.7	Confident	92.3	Very high	153 Å²	153	44.6 Å²	44.6	93%	0.927	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28	-179.6	-176.7	0	0	0	0	111.8
353	D	91.2	Very high	92.5	Very high	48 Å²	48	45.9 Å²	45.9	26%	0.257	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.9	-177.7	66.8	-24.6	0	0	0	113.6	E351 Q355 S356 K357	E351-D353 PolarHBondContact O-N 3.3Å; D353-Q355 VanDerWaalsContact C-N 3.34Å; D353-Q355 PolarHBondContact O-N 3.1Å; D353-S356 WeakPolarHBondContact O-CB 3.31Å; D353-S356 PolarHBondContact O-N 3.27Å; D353-S356 VanDerWaalsContact O-N 3.08Å; D353-K357 PolarHBondContact O-N 3.18Å; D353-K357 IonicContact OD1-NZ 2.89Å; D353-K357 PolarHBondContact OD1-NZ 3.34Å; D353-K357 WeakPolarHBondContact OD2-CE 3.21Å; D353-K357 IonicContact OD2-NZ 2.81Å; D353-K357 PolarHBondContact OD2-NZ 2.8Å
354	A	94	Very high	92.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-55.1	-44.8	-177.3	0	0	0	0	0	113.1	I346 E351 S356 K357 V358	I346-A354 HydrophobicContact CG1-CB 4.44Å; I346-A354 HydrophobicContact CG2-CB 4.33Å; E351-A354 HydrophobicContact CB-CB 4.38Å; E351-A354 WeakPolarHBondContact O-CB 3.35Å; E351-A354 PolarHBondContact O-N 3.33Å; A354-S356 VanDerWaalsContact C-N 3.35Å; A354-S356 PolarHBondContact O-N 3.28Å; A354-K357 PolarHBondContact O-N 2.87Å; A354-V358 WeakPolarHBondContact O-CG2 3.37Å; A354-V358 PolarHBondContact O-N 3.28Å
355	Q	94.5	Very high	93	Very high	49 Å²	49	46.2 Å²	46.2	23%	0.229	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-40.7	177.8	-173.8	175.3	19.2	0	0	111.9	I346 D353 K357 V358 C359 M374 W377 I379	I346-Q355 HydrophobicContact CD1-CB 4.03Å; I346-Q355 HydrophobicContact CD1-CG 4.09Å; I346-Q355 HydrophobicContact CG1-CB 4.49Å; I346-Q355 HydrophobicContact CG2-CB 4.38Å; D353-Q355 VanDerWaalsContact C-N 3.34Å; D353-Q355 PolarHBondContact O-N 3.1Å; Q355-K357 PolarHBondContact O-N 2.95Å; Q355-V358 PolarHBondContact O-N 3.03Å; Q355-C359 PolarHBondContact O-N 3.07Å; Q355-C359 PolarHBondContact O-SG 3.12Å; Q355-C359 VanDerWaalsContact O-SG 3.32Å; Q355-M374 HydrophobicContact CG-CG 4.49Å; Q355-M374 HydrophobicContact CG-SD 4.14Å; Q355-M374 PolarHBondContact NE2-O 2.84Å; Q355-W377 PolarHBondContact NE2-O 2.94Å; Q355-I379 HydrophobicContact CB-CD1 4.45Å
356	S	95.6	Very high	93.1	Very high	53 Å²	53	45.1 Å²	45.1	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-43.8	177.4	-173.4	0	0	0	0	111.6	K287 D353 A354 C359 E360	K287-S356 PolarHBondContact NZ-OG 3.43Å; D353-S356 WeakPolarHBondContact O-CB 3.31Å; D353-S356 PolarHBondContact O-N 3.27Å; D353-S356 VanDerWaalsContact O-N 3.08Å; A354-S356 VanDerWaalsContact C-N 3.35Å; A354-S356 PolarHBondContact O-N 3.28Å; S356-C359 PolarHBondContact O-N 2.87Å; S356-E360 PolarHBondContact O-N 3.4Å; S356-E360 VanDerWaalsContact O-N 3.15Å
357	K	97.2	Very high	93.1	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.022	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-43.6	175.1	-74	173.7	176.1	142.8	0	112.4	L318 F321 E351 D353 A354 Q355 C359 E360 L361	L318-K357 HydrophobicContact CD1-CB 4.42Å; L318-K357 HydrophobicContact CD1-CG 4.09Å; F321-K357 HydrophobicContact CB-CD 4.14Å; F321-K357 HydrophobicContact CD1-CB 3.63Å; F321-K357 HydrophobicContact CD1-CD 4.45Å; F321-K357 HydrophobicContact CD1-CG 4.28Å; F321-K357 HydrophobicContact CD2-CB 4.46Å; F321-K357 HydrophobicContact CD2-CD 4.37Å; F321-K357 HydrophobicContact CE1-CB 3.68Å; F321-K357 VanDerWaalsContact CE1-O 3.29Å; F321-K357 WeakPolarHBondContact CE1-O 3.37Å; F321-K357 HydrophobicContact CG-CB 4.03Å; F321-K357 HydrophobicContact CG-CD 4.05Å; F321-K357 HydrophobicContact CG-CG 4.37Å; F321-K357 HydrophobicContact CZ-CB 4.17Å; E351-K357 IonicContact OE2-NZ 2.65Å; E351-K357 PolarHBondContact OE2-NZ 3.43Å; D353-K357 PolarHBondContact O-N 3.18Å; D353-K357 IonicContact OD1-NZ 2.89Å; D353-K357 PolarHBondContact OD1-NZ 3.34Å; D353-K357 WeakPolarHBondContact OD2-CE 3.21Å; D353-K357 IonicContact OD2-NZ 2.81Å; D353-K357 PolarHBondContact OD2-NZ 2.8Å; A354-K357 PolarHBondContact O-N 2.87Å; Q355-K357 PolarHBondContact O-N 2.95Å; K357-C359 VanDerWaalsContact C-N 3.35Å; K357-E360 PolarHBondContact O-N 2.93Å; K357-L361 PolarHBondContact O-N 3Å
358	V	97.1	Very high	93.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-40.5	175.9	164.7	0	0	0	0	111.6	F321 Y342 F345 I346 A354 Q355 E360 L361 L362 M374	F321-V358 HydrophobicContact CZ-CG2 4.09Å; Y342-V358 HydrophobicContact CD1-CG1 3.93Å; Y342-V358 HydrophobicContact CG-CG1 4.24Å; F345-V358 HydrophobicContact CD1-CG2 3.81Å; F345-V358 HydrophobicContact CE1-CG2 4.36Å; I346-V358 HydrophobicContact CD1-CB 4.09Å; I346-V358 HydrophobicContact CD1-CG1 4.09Å; I346-V358 HydrophobicContact CD1-CG2 4.14Å; I346-V358 HydrophobicContact CG1-CB 4.3Å; I346-V358 HydrophobicContact CG1-CG2 3.84Å; A354-V358 WeakPolarHBondContact O-CG2 3.37Å; A354-V358 PolarHBondContact O-N 3.28Å; Q355-V358 PolarHBondContact O-N 3.03Å; V358-E360 VanDerWaalsContact C-N 3.32Å; V358-E360 PolarHBondContact O-N 2.82Å; V358-L361 WeakPolarHBondContact O-CB 3.48Å; V358-L361 PolarHBondContact O-N 3.43Å; V358-L361 VanDerWaalsContact O-N 3.14Å; V358-L362 HydrophobicContact CG1-CD1 4.12Å; V358-L362 HydrophobicContact CG1-CG 4.42Å; V358-L362 WeakPolarHBondContact O-CG 3.43Å; V358-L362 PolarHBondContact O-N 2.88Å; V358-M374 HydrophobicContact CG1-CE 3.92Å; V358-M374 HydrophobicContact CG1-CG 4.19Å; V358-M374 HydrophobicContact CG1-SD 4.31Å
359	C	97.1	Very high	93.6	Very high	18 Å²	18	52.5 Å²	52.5	12%	0.122	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-42.9	173.7	-70.8	0	0	0	0	111.8	Q355 S356 K357 L361 L362 K363 L371	Q355-C359 PolarHBondContact O-N 3.07Å; Q355-C359 PolarHBondContact O-SG 3.12Å; Q355-C359 VanDerWaalsContact O-SG 3.32Å; S356-C359 PolarHBondContact O-N 2.87Å; K357-C359 VanDerWaalsContact C-N 3.35Å; C359-L361 VanDerWaalsContact C-N 3.32Å; C359-L361 PolarHBondContact O-N 2.71Å; C359-L362 PolarHBondContact O-N 3.21Å; C359-K363 WeakPolarHBondContact O-CG 3.43Å; C359-K363 PolarHBondContact O-N 3.42Å; C359-L371 HydrophobicContact CB-CD1 3.92Å
360	E	97.9	Very high	93.8	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-32.6	174.9	-67	-58.4	125.5	0	0	113	K287 T290 L318 S356 K357 V358 K363 Y364	K287-E360 HydrophobicContact CB-CG 4.48Å; K287-E360 HydrophobicContact CD-CG 4.05Å; K287-E360 HydrophobicContact CG-CG 4.24Å; K287-E360 PolarHBondContact N-OE2 3.07Å; T290-E360 WeakPolarHBondContact CB-OE2 3.33Å; T290-E360 HydrophobicContact CG2-CB 4.29Å; T290-E360 WeakPolarHBondContact CG2-O 3.39Å; T290-E360 PolarHBondContact OG1-OE2 3.13Å; L318-E360 HydrophobicContact CD1-CB 3.88Å; L318-E360 HydrophobicContact CD1-CG 4.14Å; L318-E360 HydrophobicContact CD2-CG 4.22Å; S356-E360 PolarHBondContact O-N 3.4Å; S356-E360 VanDerWaalsContact O-N 3.15Å; K357-E360 PolarHBondContact O-N 2.93Å; V358-E360 VanDerWaalsContact C-N 3.32Å; V358-E360 PolarHBondContact O-N 2.82Å; E360-K363 WeakPolarHBondContact O-CB 3.17Å; E360-K363 PolarHBondContact O-N 2.88Å; E360-K363 WeakPolarHBondContact OE1-CE 3.35Å; E360-K363 IonicContact OE1-NZ 3.62Å; E360-K363 PolarHBondContact OE1-NZ 2.97Å; E360-Y364 WeakPolarHBondContact O-CB 3.12Å; E360-Y364 PolarHBondContact O-N 3.1Å
361	L	97.8	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-42.3	172.5	172.3	64	0	0	0	112.1	F321 L322 H325 R326 L329 Y342 K357 V358 C359 K363 Y364 Q365	F321-L361 HydrophobicContact CE1-CB 3.86Å; F321-L361 HydrophobicContact CE1-CD2 4.16Å; F321-L361 HydrophobicContact CZ-CB 4.5Å; F321-L361 HydrophobicContact CZ-CD2 4.07Å; L322-L361 HydrophobicContact CD2-CB 3.86Å; L322-L361 HydrophobicContact CD2-CD1 4.22Å; H325-L361 HydrophobicContact CB-CD2 4.37Å; R326-L361 HydrophobicContact CB-CD1 4.13Å; L329-L361 HydrophobicContact CB-CD2 3.93Å; L329-L361 HydrophobicContact CD2-CD2 3.62Å; L329-L361 HydrophobicContact CG-CD2 3.84Å; Y342-L361 HydrophobicContact CE1-CD2 4.23Å; K357-L361 PolarHBondContact O-N 3Å; V358-L361 WeakPolarHBondContact O-CB 3.48Å; V358-L361 PolarHBondContact O-N 3.43Å; V358-L361 VanDerWaalsContact O-N 3.14Å; C359-L361 VanDerWaalsContact C-N 3.32Å; C359-L361 PolarHBondContact O-N 2.71Å; L361-K363 VanDerWaalsContact C-N 3.31Å; L361-K363 PolarHBondContact O-N 3.45Å; L361-Y364 WeakPolarHBondContact O-CB 3.31Å; L361-Y364 PolarHBondContact O-N 3.1Å; L361-Q365 HydrophobicContact CD1-CG 4.06Å; L361-Q365 WeakPolarHBondContact O-CB 3.47Å; L361-Q365 WeakPolarHBondContact O-CG 3.47Å; L361-Q365 PolarHBondContact O-N 3.45Å
362	L	97.1	Very high	94.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-39.6	175.7	-70.5	169.8	0	0	0	111.2	Y342 V358 C359 Q365 G366 E367 L370 L371 M374	Y342-L362 HydrophobicContact CD1-CD2 4.01Å; Y342-L362 HydrophobicContact CD1-CG 4.4Å; Y342-L362 HydrophobicContact CD2-CD2 4.26Å; Y342-L362 HydrophobicContact CE1-CD2 3.55Å; Y342-L362 HydrophobicContact CE1-CG 4.24Å; Y342-L362 HydrophobicContact CE2-CD2 3.85Å; Y342-L362 HydrophobicContact CG-CD2 4.33Å; Y342-L362 VanDerWaalsContact CZ-CD2 3.45Å; V358-L362 HydrophobicContact CG1-CD1 4.12Å; V358-L362 HydrophobicContact CG1-CG 4.42Å; V358-L362 WeakPolarHBondContact O-CG 3.43Å; V358-L362 PolarHBondContact O-N 2.88Å; C359-L362 PolarHBondContact O-N 3.21Å; L362-Q365 PolarHBondContact O-N 3.33Å; L362-G366 PolarHBondContact O-N 3.49Å; L362-G366 VanDerWaalsContact O-N 3.1Å; L362-E367 HydrophobicContact CD2-CB 3.99Å; L362-E367 PolarHBondContact O-N 3.22Å; L362-L370 HydrophobicContact CD1-CB 4.4Å; L362-L370 HydrophobicContact CD2-CB 3.88Å; L362-L370 HydrophobicContact CD2-CD1 4.31Å; L362-L371 HydrophobicContact CB-CB 4.22Å; L362-L371 HydrophobicContact CB-CD1 4.34Å; L362-M374 HydrophobicContact CD1-CB 3.68Å; L362-M374 HydrophobicContact CD1-CG 3.96Å
363	K	96.8	Very high	95.3	Very high	27 Å²	27	35.4 Å²	35.4	12%	0.117	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-51.5	169.6	-69.3	176.1	-170.4	-179.1	0	110.8	V281 H284 S285 C359 E360 L361 Q365 G366 L371	V281-K363 HydrophobicContact CG1-CB 3.91Å; V281-K363 WeakPolarHBondContact CG1-O 3.32Å; H284-K363 HydrophobicContact CB-CD 4.07Å; H284-K363 HydrophobicContact CB-CG 3.99Å; H284-K363 WeakPolarHBondContact O-CE 3.36Å; H284-K363 PolarHBondContact O-NZ 2.88Å; S285-K363 PolarHBondContact O-NZ 3.5Å; C359-K363 WeakPolarHBondContact O-CG 3.43Å; C359-K363 PolarHBondContact O-N 3.42Å; E360-K363 WeakPolarHBondContact O-CB 3.17Å; E360-K363 PolarHBondContact O-N 2.88Å; E360-K363 WeakPolarHBondContact OE1-CE 3.35Å; E360-K363 IonicContact OE1-NZ 3.62Å; E360-K363 PolarHBondContact OE1-NZ 2.97Å; L361-K363 VanDerWaalsContact C-N 3.31Å; L361-K363 PolarHBondContact O-N 3.45Å; K363-Q365 VanDerWaalsContact C-N 3.26Å; K363-Q365 PolarHBondContact O-N 3.04Å; K363-G366 PolarHBondContact O-N 3.46Å; K363-L371 HydrophobicContact CG-CD1 4.12Å; K363-L371 HydrophobicContact CG-CD2 3.61Å
364	Y	96.7	Very high	95.5	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-53.9	-45	177.8	-175.3	-75.5	0	0	0	111.2	E273 I277 H280 S293 A294 R326 E360 L361 G366	E273-Y364 PolarHBondContact OE1-OH 3.21Å; I277-Y364 HydrophobicContact CD1-CD1 3.58Å; I277-Y364 HydrophobicContact CD1-CD2 4.16Å; I277-Y364 HydrophobicContact CD1-CE1 3.3Å; I277-Y364 HydrophobicContact CD1-CE2 3.96Å; I277-Y364 HydrophobicContact CD1-CG 3.96Å; I277-Y364 WeakPolarHBondContact CD1-O 3.42Å; I277-Y364 HydrophobicContact CG1-CD1 4.48Å; I277-Y364 HydrophobicContact CG1-CD2 4.27Å; I277-Y364 HydrophobicContact CG1-CE1 4Å; I277-Y364 HydrophobicContact CG1-CE2 3.81Å; I277-Y364 HydrophobicContact CG2-CD2 3.74Å; I277-Y364 HydrophobicContact CG2-CE2 3.96Å; I277-Y364 HydrophobicContact CG2-CG 4.21Å; H280-Y364 PolarHBondContact ND1-O 2.96Å; S293-Y364 WeakPolarHBondContact OG-CD2 3.48Å; S293-Y364 VanDerWaalsContact OG-CE2 3.3Å; S293-Y364 WeakPolarHBondContact OG-CE2 3.43Å; A294-Y364 HydrophobicContact CB-CE2 4.07Å; R326-Y364 HydrophobicContact CB-CD1 4.08Å; R326-Y364 HydrophobicContact CB-CE1 3.85Å; R326-Y364 WeakPolarHBondContact CD-OH 3.28Å; R326-Y364 HydrophobicContact CG-CE1 4.41Å; R326-Y364 PolarHBondContact NH1-OH 3.15Å; E360-Y364 WeakPolarHBondContact O-CB 3.12Å; E360-Y364 PolarHBondContact O-N 3.1Å; L361-Y364 WeakPolarHBondContact O-CB 3.31Å; L361-Y364 PolarHBondContact O-N 3.1Å; Y364-G366 VanDerWaalsContact C-N 3.27Å; Y364-G366 PolarHBondContact O-N 3.15Å
365	Q	95.5	Very high	95.4	Very high	36 Å²	36	36.8 Å²	36.8	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-74.1	-12.4	-178.3	-69.6	173.4	-23.1	0	0	114.1	R326 L329 Y342 L361 L362 K363 E367	R326-Q365 PolarHBondContact O-NE2 2.64Å; L329-Q365 PolarHBondContact O-NE2 2.98Å; Y342-Q365 PolarHBondContact OH-OE1 3.27Å; L361-Q365 HydrophobicContact CD1-CG 4.06Å; L361-Q365 WeakPolarHBondContact O-CB 3.47Å; L361-Q365 WeakPolarHBondContact O-CG 3.47Å; L361-Q365 PolarHBondContact O-N 3.45Å; L362-Q365 PolarHBondContact O-N 3.33Å; K363-Q365 VanDerWaalsContact C-N 3.26Å; K363-Q365 PolarHBondContact O-N 3.04Å; Q365-E367 HydrophobicContact CB-CG 3.89Å
366	G	94.8	Very high	95.3	Very high	27 Å²	27	44.9 Å²	44.9	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	30	-176.1	0	0	0	0	0	113.4	L362 K363 Y364 D368	L362-G366 PolarHBondContact O-N 3.49Å; L362-G366 VanDerWaalsContact O-N 3.1Å; K363-G366 PolarHBondContact O-N 3.46Å; Y364-G366 VanDerWaalsContact C-N 3.27Å; Y364-G366 PolarHBondContact O-N 3.15Å; G366-D368 PolarHBondContact O-N 2.95Å
367	E	94.5	Very high	95.1	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	22%	0.223	C	C	.	.			trans	-97	63.7	-175.9	-65.6	-71	177.5	0	0	111.8	K331 L362 Q365 K369 L370 L371	K331-E367 WeakPolarHBondContact CD-OE1 3.21Å; K331-E367 WeakPolarHBondContact CE-OE1 3.23Å; K331-E367 IonicContact NZ-OE1 3.49Å; K331-E367 PolarHBondContact NZ-OE1 3.27Å; K331-E367 IonicContact NZ-OE2 3.03Å; K331-E367 PolarHBondContact NZ-OE2 3.24Å; L362-E367 HydrophobicContact CD2-CB 3.99Å; L362-E367 PolarHBondContact O-N 3.22Å; Q365-E367 HydrophobicContact CB-CG 3.89Å; E367-K369 VanDerWaalsContact C-N 3.3Å; E367-K369 PolarHBondContact O-N 2.97Å; E367-L370 HydrophobicContact CB-CB 4.14Å; E367-L370 HydrophobicContact CB-CD1 4.13Å; E367-L370 HydrophobicContact CB-CG 4.37Å; E367-L370 HydrophobicContact CG-CD1 4.32Å; E367-L370 PolarHBondContact O-N 3.39Å; E367-L370 VanDerWaalsContact O-N 3.11Å; E367-L371 PolarHBondContact O-N 3.43Å
368	D	93.3	Very high	94.7	Very high	83 Å²	83	49.2 Å²	49.2	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-56.4	-39	-171.3	-60.6	-10.5	0	0	0	114	H284 G366 L371 A372	H284-D368 IonicContact CE1-OD1 2.71Å; H284-D368 PolarHBondContact CE1-OD1 3.14Å; H284-D368 IonicContact CE1-OD2 3.19Å; H284-D368 IonicContact ND1-OD1 2.75Å; H284-D368 IonicContact NE2-OD1 3.7Å; G366-D368 PolarHBondContact O-N 2.95Å; D368-L371 PolarHBondContact O-N 2.83Å; D368-A372 PolarHBondContact O-N 3.42Å
369	K	93.1	Very high	94.3	Very high	171 Å²	171	53.2 Å²	53.2	74%	0.743	28%	0.275	S	S	*	.	H	α-helix	trans	-64.3	-48.1	178	-67.5	-176.6	-178.9	178.3	0	111.2	E367 L371 A372 E373	E367-K369 VanDerWaalsContact C-N 3.3Å; E367-K369 PolarHBondContact O-N 2.97Å; K369-L371 VanDerWaalsContact C-N 3.31Å; K369-L371 PolarHBondContact O-N 2.81Å; K369-A372 PolarHBondContact O-N 3.02Å; K369-E373 WeakPolarHBondContact O-CG 3.45Å; K369-E373 PolarHBondContact O-N 3.42Å; K369-E373 VanDerWaalsContact O-N 3.08Å
370	L	94.3	Very high	93.9	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-34.4	178.8	-60.7	-178.9	0	0	0	111.2	K331 L339 Y342 L362 E367 A372 E373 M374	K331-L370 HydrophobicContact CB-CD1 4.13Å; K331-L370 HydrophobicContact CD-CD1 4.21Å; L339-L370 HydrophobicContact CD1-CB 4.1Å; L339-L370 HydrophobicContact CD1-CD2 4.13Å; Y342-L370 HydrophobicContact CE2-CD1 4.01Å; L362-L370 HydrophobicContact CD1-CB 4.4Å; L362-L370 HydrophobicContact CD2-CB 3.88Å; L362-L370 HydrophobicContact CD2-CD1 4.31Å; E367-L370 HydrophobicContact CB-CB 4.14Å; E367-L370 HydrophobicContact CB-CD1 4.13Å; E367-L370 HydrophobicContact CB-CG 4.37Å; E367-L370 HydrophobicContact CG-CD1 4.32Å; E367-L370 PolarHBondContact O-N 3.39Å; E367-L370 VanDerWaalsContact O-N 3.11Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 2.98Å; L370-E373 PolarHBondContact O-N 3.25Å; L370-M374 WeakPolarHBondContact O-CB 3.37Å; L370-M374 PolarHBondContact O-N 3.13Å
371	L	95.2	Very high	93.4	Very high	14 Å²	14	64.7 Å²	64.7	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-44.4	172.9	177.6	63.4	0	0	0	111.5	H284 C359 L362 K363 E367 D368 K369 S375	H284-L371 HydrophobicContact CB-CD2 4.34Å; C359-L371 HydrophobicContact CB-CD1 3.92Å; L362-L371 HydrophobicContact CB-CB 4.22Å; L362-L371 HydrophobicContact CB-CD1 4.34Å; K363-L371 HydrophobicContact CG-CD1 4.12Å; K363-L371 HydrophobicContact CG-CD2 3.61Å; E367-L371 PolarHBondContact O-N 3.43Å; D368-L371 PolarHBondContact O-N 2.83Å; K369-L371 VanDerWaalsContact C-N 3.31Å; K369-L371 PolarHBondContact O-N 2.81Å; L371-S375 VanDerWaalsContact O-CB 3.31Å; L371-S375 WeakPolarHBondContact O-CB 3.12Å; L371-S375 PolarHBondContact O-N 2.7Å; L371-S375 PolarHBondContact O-OG 2.79Å
372	A	94.2	Very high	93	Very high	43 Å²	43	66.3 Å²	66.3	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-39.6	177.5	0	0	0	0	0	112.2	D368 K369 L370 R376	D368-A372 PolarHBondContact O-N 3.42Å; K369-A372 PolarHBondContact O-N 3.02Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 2.98Å; A372-R376 WeakPolarHBondContact O-CG 3.46Å; A372-R376 PolarHBondContact O-N 3.45Å
373	E	94	Very high	92.8	Very high	100 Å²	100	68.2 Å²	68.2	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-67.5	-49	175.4	-70.5	174.1	-159	0	0	111.9	L339 K369 L370 S375 R376 W377	L339-E373 HydrophobicContact CD1-CB 4.4Å; L339-E373 HydrophobicContact CD2-CB 4.18Å; K369-E373 WeakPolarHBondContact O-CG 3.45Å; K369-E373 PolarHBondContact O-N 3.42Å; K369-E373 VanDerWaalsContact O-N 3.08Å; L370-E373 PolarHBondContact O-N 3.25Å; E373-S375 VanDerWaalsContact C-N 3.26Å; E373-S375 PolarHBondContact O-N 3.37Å; E373-R376 PolarHBondContact O-N 3.08Å; E373-W377 PolarHBondContact O-N 2.96Å
374	M	94.4	Very high	92.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-36.2	178.6	-177.1	55.9	65.7	0	0	112.3	L339 T343 I346 Q355 V358 L362 L370 R376 W377	L339-M374 HydrophobicContact CD1-CB 4.21Å; L339-M374 HydrophobicContact CD1-CE 3.78Å; L339-M374 HydrophobicContact CD2-CE 4.35Å; L339-M374 HydrophobicContact CG-CE 3.92Å; T343-M374 HydrophobicContact CG2-CE 3.97Å; I346-M374 HydrophobicContact CD1-CE 3.79Å; I346-M374 HydrophobicContact CD1-SD 3.41Å; I346-M374 WeakPolarHBondContact CD1-SD 3.01Å; Q355-M374 HydrophobicContact CG-CG 4.49Å; Q355-M374 HydrophobicContact CG-SD 4.14Å; Q355-M374 PolarHBondContact NE2-O 2.84Å; V358-M374 HydrophobicContact CG1-CE 3.92Å; V358-M374 HydrophobicContact CG1-CG 4.19Å; V358-M374 HydrophobicContact CG1-SD 4.31Å; L362-M374 HydrophobicContact CD1-CB 3.68Å; L362-M374 HydrophobicContact CD1-CG 3.96Å; L370-M374 WeakPolarHBondContact O-CB 3.37Å; L370-M374 PolarHBondContact O-N 3.13Å; M374-R376 VanDerWaalsContact C-N 3.28Å; M374-R376 PolarHBondContact O-N 2.64Å; M374-W377 PolarHBondContact O-N 3.32Å; M374-W377 HydrophobicContact SD-CE3 3.9Å; M374-W377 HydrophobicContact SD-CZ3 4.46Å
375	S	91.7	Very high	92.3	Very high	79 Å²	79	69.3 Å²	69.3	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-70.3	-24.7	178.4	-59.7	0	0	0	0	113	L371 E373	L371-S375 VanDerWaalsContact O-CB 3.31Å; L371-S375 WeakPolarHBondContact O-CB 3.12Å; L371-S375 PolarHBondContact O-N 2.7Å; L371-S375 PolarHBondContact O-OG 2.79Å; E373-S375 VanDerWaalsContact C-N 3.26Å; E373-S375 PolarHBondContact O-N 3.37Å
376	R	92.5	Very high	92.1	Very high	218 Å²	218	68.6 Å²	68.6	82%	0.823	35%	0.353	S	S	*	.	H	α-helix	trans	-92.9	-18.5	176.2	-66.7	173.5	-174.5	171.9	3.2	112.5	A372 E373 M374 S378	A372-R376 WeakPolarHBondContact O-CG 3.46Å; A372-R376 PolarHBondContact O-N 3.45Å; E373-R376 PolarHBondContact O-N 3.08Å; M374-R376 VanDerWaalsContact C-N 3.28Å; M374-R376 PolarHBondContact O-N 2.64Å; R376-S378 PolarHBondContact O-N 3.43Å
377	W	91.3	Very high	92	Very high	53 Å²	53	72.8 Å²	72.8	20%	0.201	37%	0.365	C	S	.	.			trans	-70.7	123.8	-178.4	-178.6	77.4	0	0	0	111	T343 I346 I347 Q355 E373 M374 I379 P380	T343-W377 HydrophobicContact CG2-CD2 3.98Å; T343-W377 HydrophobicContact CG2-CE3 4.26Å; T343-W377 HydrophobicContact CG2-CH2 4.06Å; T343-W377 HydrophobicContact CG2-CZ2 3.76Å; T343-W377 HydrophobicContact CG2-CZ3 4.29Å; I346-W377 HydrophobicContact CB-CH2 4.46Å; I346-W377 HydrophobicContact CB-CZ3 4.23Å; I346-W377 HydrophobicContact CD1-CE3 4.46Å; I346-W377 HydrophobicContact CD1-CZ3 3.89Å; I346-W377 HydrophobicContact CG2-CH2 4.28Å; I346-W377 HydrophobicContact CG2-CZ3 3.93Å; I347-W377 HydrophobicContact CD1-CH2 3.85Å; I347-W377 HydrophobicContact CD1-CZ2 3.83Å; I347-W377 HydrophobicContact CG1-CH2 4.01Å; I347-W377 HydrophobicContact CG1-CZ2 4.48Å; Q355-W377 PolarHBondContact NE2-O 2.94Å; E373-W377 PolarHBondContact O-N 2.96Å; M374-W377 PolarHBondContact O-N 3.32Å; M374-W377 HydrophobicContact SD-CE3 3.9Å; M374-W377 HydrophobicContact SD-CZ3 4.46Å; W377-I379 HydrophobicContact CE3-CG1 4.18Å; W377-I379 HydrophobicContact CH2-CB 4.3Å; W377-I379 HydrophobicContact CH2-CG1 3.97Å; W377-I379 HydrophobicContact CH2-CG2 4.37Å; W377-I379 HydrophobicContact CZ3-CB 4.27Å; W377-I379 HydrophobicContact CZ3-CG1 3.51Å; W377-P380 HydrophobicContact CZ2-CG 4.23Å
378	S	89.5	Confident	91.9	Very high	96 Å²	96	71.6 Å²	71.6	67%	0.671	36%	0.36	S	S	*	.			trans	-93.8	127.2	172.9	59.2	0	0	0	0	109.8	R376 P380	R376-S378 PolarHBondContact O-N 3.43Å; S378-P380 WeakPolarHBondContact O-CD 3.37Å
379	I	88.8	Confident	91.8	Very high	85 Å²	85	67.7 Å²	67.7	44%	0.436	34%	0.339	S	S	.	.			trans	-58.7	111.3	177.3	-58.3	165.6	0	0	0	108.9	I346 I347 Q355 W377	I346-I379 HydrophobicContact CG2-CD1 3.86Å; I346-I379 HydrophobicContact CG2-CG1 4.02Å; I347-I379 HydrophobicContact CG1-CG2 4.43Å; Q355-I379 HydrophobicContact CB-CD1 4.45Å; W377-I379 HydrophobicContact CE3-CG1 4.18Å; W377-I379 HydrophobicContact CH2-CB 4.3Å; W377-I379 HydrophobicContact CH2-CG1 3.97Å; W377-I379 HydrophobicContact CH2-CG2 4.37Å; W377-I379 HydrophobicContact CZ3-CB 4.27Å; W377-I379 HydrophobicContact CZ3-CG1 3.51Å
380	P	88.1	Confident	91.7	Very high	37 Å²	37	66.8 Å²	66.8	24%	0.24	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.4	147.2	-179.1	30.8	-32.5	0	0	0	109.5	I347 W377 S378 W411 Y416	I347-P380 HydrophobicContact CD1-CG 4.23Å; W377-P380 HydrophobicContact CZ2-CG 4.23Å; S378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-W411 HydrophobicContact CB-CH2 4.05Å; P380-W411 HydrophobicContact CB-CZ2 3.81Å; P380-W411 HydrophobicContact CG-CH2 3.8Å; P380-W411 HydrophobicContact CG-CZ2 3.86Å; P380-W411 WeakPolarHBondContact O-CH2 3.13Å; P380-Y416 VanDerWaalsContact CG-CB 3.49Å; P380-Y416 HydrophobicContact CG-CG 4.09Å
381	R	87.3	Confident	91.5	Very high	231 Å²	231	73.5 Å²	73.5	87%	0.872	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-88.4	130.5	175.3	-68.5	-174.5	179.2	-174.2	0.7	109.1	P383	R381-P383 WeakPolarHBondContact O-CD 3.2Å; R381-P383 VanDerWaalsContact O-N 3.16Å
382	F	90.8	Very high	91	Very high	34 Å²	34	76.2 Å²	76.2	15%	0.149	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-57.6	120.2	174	-178.1	-117.2	0	0	0	109.6	V384 L404 L407 R408 W411 L423	F382-V384 HydrophobicContact CD1-CB 4.49Å; F382-V384 WeakPolarHBondContact CD1-O 3.29Å; F382-V384 HydrophobicContact CE1-CB 3.76Å; F382-V384 WeakPolarHBondContact CE1-O 3.49Å; F382-V384 HydrophobicContact CZ-CB 3.82Å; F382-V384 HydrophobicContact CZ-CG2 4.36Å; F382-V384 PolarHBondContact O-N 3.47Å; F382-L404 HydrophobicContact CE1-CD2 3.99Å; F382-L407 HydrophobicContact CE2-CB 4.43Å; F382-L407 HydrophobicContact CZ-CB 3.86Å; F382-R408 HydrophobicContact CD1-CG 4.18Å; F382-R408 HydrophobicContact CD2-CG 3.95Å; F382-R408 HydrophobicContact CE1-CG 3.97Å; F382-R408 HydrophobicContact CE2-CB 4.44Å; F382-R408 HydrophobicContact CE2-CG 3.74Å; F382-R408 HydrophobicContact CG-CG 4.16Å; F382-R408 HydrophobicContact CZ-CG 3.75Å; F382-W411 HydrophobicContact CB-CE3 4.31Å; F382-W411 HydrophobicContact CB-CH2 4.24Å; F382-W411 HydrophobicContact CB-CZ3 3.97Å; F382-W411 HydrophobicContact CD2-CB 4.3Å; F382-W411 AromaticContact CD2-CD2 3.73Å; F382-W411 HydrophobicContact CD2-CD2 3.73Å; F382-W411 AromaticContact CD2-CE3 3.54Å; F382-W411 HydrophobicContact CD2-CE3 3.54Å; F382-W411 HydrophobicContact CD2-CG 4.1Å; F382-W411 HydrophobicContact CD2-CZ3 4.08Å; F382-W411 HydrophobicContact CE2-CB 4.04Å; F382-W411 HydrophobicContact CE2-CD2 4.36Å; F382-W411 HydrophobicContact CE2-CE3 4.36Å; F382-W411 HydrophobicContact CE2-CG 4.27Å; F382-W411 HydrophobicContact CG-CE3 4.38Å; F382-L423 HydrophobicContact CE2-CD1 3.91Å
383	P	91.5	Very high	90.6	Very high	40 Å²	40	76.8 Å²	76.8	26%	0.26	38%	0.384	S	S	.	.			trans	-83.9	-11.4	-163.3	33.4	-38	0	0	0	113.4	R381 K420 L423	R381-P383 WeakPolarHBondContact O-CD 3.2Å; R381-P383 VanDerWaalsContact O-N 3.16Å; P383-K420 HydrophobicContact CB-CB 4.19Å; P383-K420 WeakPolarHBondContact O-CE 3.37Å; P383-L423 HydrophobicContact CG-CD1 3.63Å
384	V	91.6	Very high	90.3	Very high	7 Å²	7	73.1 Å²	73.1	4%	0.042	37%	0.367	C	S	.	.			trans	-100.8	133.3	-178	-177.3	0	0	0	0	111.4	F382 D388 L389 L404 L407 K420 L423 L424	F382-V384 HydrophobicContact CD1-CB 4.49Å; F382-V384 WeakPolarHBondContact CD1-O 3.29Å; F382-V384 HydrophobicContact CE1-CB 3.76Å; F382-V384 WeakPolarHBondContact CE1-O 3.49Å; F382-V384 HydrophobicContact CZ-CB 3.82Å; F382-V384 HydrophobicContact CZ-CG2 4.36Å; F382-V384 PolarHBondContact O-N 3.47Å; V384-D388 HydrophobicContact CG1-CB 4.29Å; V384-L389 HydrophobicContact CG1-CD2 4.47Å; V384-L404 HydrophobicContact CG1-CD2 3.96Å; V384-L407 HydrophobicContact CB-CD1 4.45Å; V384-L407 HydrophobicContact CG1-CD1 3.95Å; V384-L407 HydrophobicContact CG2-CD1 4.41Å; V384-K420 HydrophobicContact CG2-CG 4.35Å; V384-L423 HydrophobicContact CG2-CB 3.78Å; V384-L423 HydrophobicContact CG2-CD1 3.94Å; V384-L424 HydrophobicContact CG1-CD2 3.67Å; V384-L424 HydrophobicContact CG2-CD2 4.2Å; V384-L424 HydrophobicContact CG2-CG 4.33Å
385	S	93.3	Very high	89.9	Confident	49 Å²	49	78.7 Å²	78.7	34%	0.343	40%	0.401	S	S	.	.			trans	-111.6	163	176.2	73.3	0	0	0	0	112.1	H387 D388 L389	S385-H387 PolarHBondContact O-N 2.97Å; S385-H387 PolarHBondContact OG-N 2.81Å; S385-D388 WeakPolarHBondContact CB-OD2 3.28Å; S385-D388 PolarHBondContact N-OD2 3.34Å; S385-D388 WeakPolarHBondContact O-CB 3.37Å; S385-D388 PolarHBondContact O-N 3.39Å; S385-D388 VanDerWaalsContact O-N 3.1Å; S385-D388 VanDerWaalsContact OG-CG 3.31Å; S385-D388 PolarHBondContact OG-N 3.2Å; S385-D388 PolarHBondContact OG-OD2 2.95Å; S385-L389 PolarHBondContact O-N 2.93Å
386	G	90.6	Very high	89.8	Confident	21 Å²	21	77.5 Å²	77.5	22%	0.216	39%	0.393	C	S	.	.	H	α-helix	trans	-62	-22.8	172.6	0	0	0	0	0	113.6	R390	G386-R390 WeakPolarHBondContact O-CG 3.46Å; G386-R390 PolarHBondContact O-N 3.44Å; G386-R390 VanDerWaalsContact O-N 3.1Å
387	H	92.2	Very high	89.6	Confident	114 Å²	114	69.6 Å²	69.6	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-70.2	-37.2	174.2	-175.5	59.6	0	0	0	112.1	S385 L389 R390 K391	S385-H387 PolarHBondContact O-N 2.97Å; S385-H387 PolarHBondContact OG-N 2.81Å; H387-L389 VanDerWaalsContact C-N 3.31Å; H387-L389 PolarHBondContact O-N 2.9Å; H387-R390 PolarHBondContact O-N 3.31Å; H387-K391 VanDerWaalsContact NE2-CE 3.3Å; H387-K391 WeakPolarHBondContact NE2-CE 3.37Å; H387-K391 PolarHBondContact O-N 3.1Å; H387-K391 VanDerWaalsContact O-N 3.07Å
388	D	91.6	Very high	89.5	Confident	18 Å²	18	75.5 Å²	75.5	10%	0.096	41%	0.406	C	S	.	.	H	α-helix	trans	-62.2	-42.2	176.4	-57.4	-60.2	0	0	0	110.2	V384 S385 K391 M392 K420 L424	V384-D388 HydrophobicContact CG1-CB 4.29Å; S385-D388 WeakPolarHBondContact CB-OD2 3.28Å; S385-D388 PolarHBondContact N-OD2 3.34Å; S385-D388 WeakPolarHBondContact O-CB 3.37Å; S385-D388 PolarHBondContact O-N 3.39Å; S385-D388 VanDerWaalsContact O-N 3.1Å; S385-D388 VanDerWaalsContact OG-CG 3.31Å; S385-D388 PolarHBondContact OG-N 3.2Å; S385-D388 PolarHBondContact OG-OD2 2.95Å; D388-K391 WeakPolarHBondContact O-CB 3.36Å; D388-K391 PolarHBondContact O-N 3.23Å; D388-M392 PolarHBondContact O-N 3.03Å; D388-K420 VanDerWaalsContact CG-NZ 3.34Å; D388-K420 IonicContact OD1-NZ 2.83Å; D388-K420 PolarHBondContact OD1-NZ 3.02Å; D388-K420 IonicContact OD2-NZ 2.65Å; D388-K420 PolarHBondContact OD2-NZ 3.42Å; D388-K420 VanDerWaalsContact OD2-NZ 3.14Å; D388-L424 HydrophobicContact CB-CD1 4.27Å; D388-L424 HydrophobicContact CB-CD2 4.32Å
389	L	91.4	Very high	89.5	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-67.7	-34.5	175.7	-62.7	-174.7	0	0	0	113.5	V384 S385 H387 K391 M392 G393 I394 I400 T403 L404 L407 L424 V427	V384-L389 HydrophobicContact CG1-CD2 4.47Å; S385-L389 PolarHBondContact O-N 2.93Å; H387-L389 VanDerWaalsContact C-N 3.31Å; H387-L389 PolarHBondContact O-N 2.9Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.1Å; L389-M392 HydrophobicContact CD2-SD 4.48Å; L389-M392 WeakPolarHBondContact O-CB 3.19Å; L389-M392 PolarHBondContact O-N 3.41Å; L389-M392 VanDerWaalsContact O-N 3.13Å; L389-G393 PolarHBondContact O-N 2.91Å; L389-I394 HydrophobicContact CB-CB 4.49Å; L389-I394 HydrophobicContact CB-CD1 4.33Å; L389-I394 HydrophobicContact CD2-CD1 4.43Å; L389-I394 PolarHBondContact O-N 3.37Å; L389-I400 HydrophobicContact CD1-CG2 4.22Å; L389-T403 HydrophobicContact CD1-CG2 3.8Å; L389-T403 HydrophobicContact CD2-CG2 4.06Å; L389-L404 HydrophobicContact CD1-CD2 3.72Å; L389-L404 HydrophobicContact CD1-CG 3.67Å; L389-L404 HydrophobicContact CG-CD2 4.32Å; L389-L407 HydrophobicContact CD2-CD1 4.19Å; L389-L424 HydrophobicContact CD2-CD2 3.96Å; L389-V427 HydrophobicContact CD2-CG2 3.95Å
390	R	91.4	Very high	89.6	Confident	152 Å²	152	72.4 Å²	72.4	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-64	-38.3	173.7	-75.7	176.1	-175.2	-129.8	1.9	112.4	G386 H387 M392 G393 I394 I400	G386-R390 WeakPolarHBondContact O-CG 3.46Å; G386-R390 PolarHBondContact O-N 3.44Å; G386-R390 VanDerWaalsContact O-N 3.1Å; H387-R390 PolarHBondContact O-N 3.31Å; R390-M392 PolarHBondContact O-N 3.23Å; R390-G393 PolarHBondContact O-N 2.82Å; R390-I394 WeakPolarHBondContact CA-O 3.35Å; R390-I394 WeakPolarHBondContact CG-O 3.46Å; R390-I400 HydrophobicContact CG-CD1 3.72Å
391	K	90.3	Very high	89.6	Confident	153 Å²	153	72.6 Å²	72.6	67%	0.665	39%	0.389	S	S	*	.	H	α-helix	trans	-63.3	-26.8	173.9	-72.2	-179	177.6	179.9	0	112.5	H387 D388 L389 G393	H387-K391 VanDerWaalsContact NE2-CE 3.3Å; H387-K391 WeakPolarHBondContact NE2-CE 3.37Å; H387-K391 PolarHBondContact O-N 3.1Å; H387-K391 VanDerWaalsContact O-N 3.07Å; D388-K391 WeakPolarHBondContact O-CB 3.36Å; D388-K391 PolarHBondContact O-N 3.23Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.1Å; K391-G393 VanDerWaalsContact C-N 3.25Å; K391-G393 PolarHBondContact O-N 3.15Å
392	M	85.5	Confident	89.9	Confident	70 Å²	70	65.3 Å²	65.3	35%	0.345	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2	174.2	-62.8	-178.8	68.9	0	0	113.5	D388 L389 R390 L424 V427 N428	D388-M392 PolarHBondContact O-N 3.03Å; L389-M392 HydrophobicContact CD2-SD 4.48Å; L389-M392 WeakPolarHBondContact O-CB 3.19Å; L389-M392 PolarHBondContact O-N 3.41Å; L389-M392 VanDerWaalsContact O-N 3.13Å; R390-M392 PolarHBondContact O-N 3.23Å; M392-L424 HydrophobicContact SD-CB 4.18Å; M392-L424 HydrophobicContact SD-CD1 4.46Å; M392-L424 HydrophobicContact SD-CD2 3.76Å; M392-L424 HydrophobicContact SD-CG 4.34Å; M392-V427 HydrophobicContact CE-CB 4.02Å; M392-V427 HydrophobicContact CE-CG1 4.16Å; M392-N428 VanDerWaalsContact CE-OD1 3.32Å; M392-N428 WeakPolarHBondContact CE-OD1 3.4Å
393	G	85.9	Confident	89.9	Confident	56 Å²	56	64.8 Å²	64.8	58%	0.577	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-0.5	176	0	0	0	0	0	115.3	L389 R390 K391 T395	L389-G393 PolarHBondContact O-N 2.91Å; R390-G393 PolarHBondContact O-N 2.82Å; K391-G393 VanDerWaalsContact C-N 3.25Å; K391-G393 PolarHBondContact O-N 3.15Å; G393-T395 PolarHBondContact O-N 3.36Å
394	I	87.2	Confident	89.9	Confident	22 Å²	22	64.6 Å²	64.6	11%	0.113	37%	0.366	C	S	.	.			trans	-79.9	109.7	176.3	-51.2	-179.8	0	0	0	109.3	L389 R390 E399 I400 T403 V427	L389-I394 HydrophobicContact CB-CB 4.49Å; L389-I394 HydrophobicContact CB-CD1 4.33Å; L389-I394 HydrophobicContact CD2-CD1 4.43Å; L389-I394 PolarHBondContact O-N 3.37Å; R390-I394 WeakPolarHBondContact CA-O 3.35Å; R390-I394 WeakPolarHBondContact CG-O 3.46Å; I394-E399 HydrophobicContact CG2-CB 3.95Å; I394-E399 HydrophobicContact CG2-CG 3.74Å; I394-I400 HydrophobicContact CB-CG1 4.32Å; I394-I400 HydrophobicContact CG2-CG1 3.73Å; I394-T403 HydrophobicContact CD1-CG2 4.23Å; I394-V427 HydrophobicContact CD1-CG1 4.14Å
395	T	85.1	Confident	89.7	Confident	117 Å²	117	68.9 Å²	68.9	72%	0.718	39%	0.386	S	S	*	.			trans	-105	-22.6	-174	54.8	0	0	0	0	113.8	G393	G393-T395 PolarHBondContact O-N 3.36Å
396	S	90.9	Very high	89.6	Confident	54 Å²	54	70.1 Å²	70.1	38%	0.378	39%	0.388	S	S	.	.			trans	-75.8	124.2	179.8	176.4	0	0	0	0	111.8	K398 E399 I400	S396-K398 VanDerWaalsContact C-N 3.27Å; S396-K398 PolarHBondContact O-N 3.35Å; S396-E399 PolarHBondContact O-N 2.98Å; S396-I400 WeakPolarHBondContact O-CG1 3.42Å; S396-I400 PolarHBondContact O-N 3.48Å
397	G	86.5	Confident	89.7	Confident	53 Å²	53	69.3 Å²	69.3	55%	0.546	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-34.1	179.5	0	0	0	0	0	114	G401	G397-G401 PolarHBondContact O-N 3.14Å; G397-G401 VanDerWaalsContact O-N 3.1Å
398	K	90.6	Very high	89.6	Confident	176 Å²	176	68.7 Å²	68.7	77%	0.765	37%	0.372	S	S	*	.	H	α-helix	trans	-67.3	-43.5	176.8	-174.2	179.1	178	-176.8	0	111.2	S396 G401 T402	S396-K398 VanDerWaalsContact C-N 3.27Å; S396-K398 PolarHBondContact O-N 3.35Å; K398-G401 PolarHBondContact O-N 2.89Å; K398-T402 PolarHBondContact O-N 2.81Å; K398-T402 PolarHBondContact O-OG1 2.64Å
399	E	89.9	Confident	89.4	Confident	104 Å²	104	70.8 Å²	70.8	49%	0.486	38%	0.383	S	S	.	.	H	α-helix	trans	-69	-39.4	179.9	-168.7	176.4	-169.5	0	0	112.1	I394 S396 G401 T402 T403	I394-E399 HydrophobicContact CG2-CB 3.95Å; I394-E399 HydrophobicContact CG2-CG 3.74Å; S396-E399 PolarHBondContact O-N 2.98Å; E399-G401 VanDerWaalsContact C-N 3.32Å; E399-G401 PolarHBondContact O-N 3.2Å; E399-T402 PolarHBondContact O-N 3.07Å; E399-T403 WeakPolarHBondContact O-CB 3.49Å; E399-T403 PolarHBondContact O-N 3.45Å; E399-T403 PolarHBondContact O-OG1 3.21Å
400	I	90.2	Very high	89.4	Confident	13 Å²	13	72.2 Å²	72.2	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-56.7	-48	170.1	-69	170.1	0	0	0	110	L389 R390 I394 S396 T403 L404	L389-I400 HydrophobicContact CD1-CG2 4.22Å; R390-I400 HydrophobicContact CG-CD1 3.72Å; I394-I400 HydrophobicContact CB-CG1 4.32Å; I394-I400 HydrophobicContact CG2-CG1 3.73Å; S396-I400 WeakPolarHBondContact O-CG1 3.42Å; S396-I400 PolarHBondContact O-N 3.48Å; I400-T403 PolarHBondContact O-N 2.92Å; I400-L404 HydrophobicContact CG2-CD1 3.8Å; I400-L404 HydrophobicContact CG2-CG 4.3Å; I400-L404 WeakPolarHBondContact O-CB 3.48Å; I400-L404 VanDerWaalsContact O-CG 3.25Å; I400-L404 WeakPolarHBondContact O-CG 3.33Å; I400-L404 PolarHBondContact O-N 3.36Å
401	G	88.8	Confident	89.4	Confident	41 Å²	41	65.3 Å²	65.3	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-49.3	179.1	0	0	0	0	0	112.8	G397 K398 E399 L404 Q405	G397-G401 PolarHBondContact O-N 3.14Å; G397-G401 VanDerWaalsContact O-N 3.1Å; K398-G401 PolarHBondContact O-N 2.89Å; E399-G401 VanDerWaalsContact C-N 3.32Å; E399-G401 PolarHBondContact O-N 3.2Å; G401-L404 PolarHBondContact O-N 3.29Å; G401-Q405 PolarHBondContact O-N 2.86Å
402	T	91.6	Very high	89.2	Confident	78 Å²	78	60.1 Å²	60.1	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-43.6	177.7	-58.3	0	0	0	0	111.9	K398 E399 Q405 N406	K398-T402 PolarHBondContact O-N 2.81Å; K398-T402 PolarHBondContact O-OG1 2.64Å; E399-T402 PolarHBondContact O-N 3.07Å; T402-Q405 PolarHBondContact O-N 2.85Å; T402-N406 PolarHBondContact O-N 3.37Å
403	T	91.4	Very high	89.3	Confident	23 Å²	23	66 Å²	66	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-65.9	-43.2	179.5	-54.1	0	0	0	0	111.5	L389 I394 E399 I400 Q405 N406 L407 V427	L389-T403 HydrophobicContact CD1-CG2 3.8Å; L389-T403 HydrophobicContact CD2-CG2 4.06Å; I394-T403 HydrophobicContact CD1-CG2 4.23Å; E399-T403 WeakPolarHBondContact O-CB 3.49Å; E399-T403 PolarHBondContact O-N 3.45Å; E399-T403 PolarHBondContact O-OG1 3.21Å; I400-T403 PolarHBondContact O-N 2.92Å; T403-Q405 VanDerWaalsContact C-N 3.26Å; T403-Q405 PolarHBondContact O-N 2.96Å; T403-N406 PolarHBondContact O-N 2.92Å; T403-L407 HydrophobicContact CG2-CD1 4.48Å; T403-L407 WeakPolarHBondContact O-CG 3.5Å; T403-L407 PolarHBondContact O-N 3.12Å; T403-V427 HydrophobicContact CG2-CG1 4.08Å; T403-V427 HydrophobicContact CG2-CG2 4.03Å
404	L	90.9	Very high	89.3	Confident	35 Å²	35	64.4 Å²	64.4	18%	0.183	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-37.1	174.6	-72.2	172.3	0	0	0	111.7	F382 V384 L389 I400 G401 L407 R408	F382-L404 HydrophobicContact CE1-CD2 3.99Å; V384-L404 HydrophobicContact CG1-CD2 3.96Å; L389-L404 HydrophobicContact CD1-CD2 3.72Å; L389-L404 HydrophobicContact CD1-CG 3.67Å; L389-L404 HydrophobicContact CG-CD2 4.32Å; I400-L404 HydrophobicContact CG2-CD1 3.8Å; I400-L404 HydrophobicContact CG2-CG 4.3Å; I400-L404 WeakPolarHBondContact O-CB 3.48Å; I400-L404 VanDerWaalsContact O-CG 3.25Å; I400-L404 WeakPolarHBondContact O-CG 3.33Å; I400-L404 PolarHBondContact O-N 3.36Å; G401-L404 PolarHBondContact O-N 3.29Å; L404-L407 PolarHBondContact O-N 3.39Å; L404-R408 WeakPolarHBondContact O-CB 3.26Å; L404-R408 VanDerWaalsContact O-CG 3.28Å; L404-R408 WeakPolarHBondContact O-CG 3.38Å; L404-R408 PolarHBondContact O-N 3Å
405	Q	89.1	Confident	89.1	Confident	98 Å²	98	68.9 Å²	68.9	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-46	175.9	-171.3	58.8	50	0	0	111.5	G401 T402 T403 L407 R408 D409	G401-Q405 PolarHBondContact O-N 2.86Å; T402-Q405 PolarHBondContact O-N 2.85Å; T403-Q405 VanDerWaalsContact C-N 3.26Å; T403-Q405 PolarHBondContact O-N 2.96Å; Q405-L407 VanDerWaalsContact C-N 3.31Å; Q405-L407 PolarHBondContact O-N 3Å; Q405-R408 WeakPolarHBondContact O-CB 2.91Å; Q405-R408 PolarHBondContact O-N 2.95Å; Q405-R408 VanDerWaalsContact O-N 3.12Å; Q405-D409 PolarHBondContact NE2-OD1 3.44Å; Q405-D409 PolarHBondContact O-N 2.65Å
406	N	91	Very high	89.3	Confident	74 Å²	74	64.2 Å²	64.2	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-42.8	175.6	-68.8	-11	0	0	0	111.7	T402 T403 R408 D409 V410	T402-N406 PolarHBondContact O-N 3.37Å; T403-N406 PolarHBondContact O-N 2.92Å; N406-R408 VanDerWaalsContact C-N 3.35Å; N406-D409 PolarHBondContact O-N 2.66Å; N406-V410 WeakPolarHBondContact O-CG2 3.15Å; N406-V410 PolarHBondContact O-N 3.08Å
407	L	91.9	Very high	89.1	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-34.8	176.2	-70.1	-177.5	0	0	0	112.7	F382 V384 L389 T403 L404 Q405 D409 V410 W411 L423 H426 V427	F382-L407 HydrophobicContact CE2-CB 4.43Å; F382-L407 HydrophobicContact CZ-CB 3.86Å; V384-L407 HydrophobicContact CB-CD1 4.45Å; V384-L407 HydrophobicContact CG1-CD1 3.95Å; V384-L407 HydrophobicContact CG2-CD1 4.41Å; L389-L407 HydrophobicContact CD2-CD1 4.19Å; T403-L407 HydrophobicContact CG2-CD1 4.48Å; T403-L407 WeakPolarHBondContact O-CG 3.5Å; T403-L407 PolarHBondContact O-N 3.12Å; L404-L407 PolarHBondContact O-N 3.39Å; Q405-L407 VanDerWaalsContact C-N 3.31Å; Q405-L407 PolarHBondContact O-N 3Å; L407-D409 VanDerWaalsContact C-N 3.31Å; L407-V410 PolarHBondContact O-N 3.21Å; L407-W411 VanDerWaalsContact O-CB 3.28Å; L407-W411 WeakPolarHBondContact O-CB 3.11Å; L407-W411 PolarHBondContact O-N 3.07Å; L407-L423 HydrophobicContact CD2-CB 4.43Å; L407-L423 WeakPolarHBondContact CD2-O 3.39Å; L407-H426 HydrophobicContact CD2-CB 4.11Å; L407-V427 HydrophobicContact CD1-CG2 3.66Å; L407-V427 HydrophobicContact CD2-CG2 3.85Å; L407-V427 HydrophobicContact CG-CG2 4.09Å
408	R	89.5	Confident	89.3	Confident	102 Å²	102	68.4 Å²	68.4	39%	0.385	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-39.4	171.7	-78.4	172.5	178.8	-94.6	-2.3	111.4	F382 L404 Q405 N406 W411 K412	F382-R408 HydrophobicContact CD1-CG 4.18Å; F382-R408 HydrophobicContact CD2-CG 3.95Å; F382-R408 HydrophobicContact CE1-CG 3.97Å; F382-R408 HydrophobicContact CE2-CB 4.44Å; F382-R408 HydrophobicContact CE2-CG 3.74Å; F382-R408 HydrophobicContact CG-CG 4.16Å; F382-R408 HydrophobicContact CZ-CG 3.75Å; L404-R408 WeakPolarHBondContact O-CB 3.26Å; L404-R408 VanDerWaalsContact O-CG 3.28Å; L404-R408 WeakPolarHBondContact O-CG 3.38Å; L404-R408 PolarHBondContact O-N 3Å; Q405-R408 WeakPolarHBondContact O-CB 2.91Å; Q405-R408 PolarHBondContact O-N 2.95Å; Q405-R408 VanDerWaalsContact O-N 3.12Å; N406-R408 VanDerWaalsContact C-N 3.35Å; R408-W411 PolarHBondContact O-N 3.26Å; R408-K412 VanDerWaalsContact O-CB 3.23Å; R408-K412 WeakPolarHBondContact O-CB 3.28Å; R408-K412 PolarHBondContact O-N 3.46Å
409	D	88.7	Confident	89.4	Confident	61 Å²	61	63.8 Å²	63.8	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-40	176.9	-63.2	-18.3	0	0	0	111.5	Q405 N406 L407 K412 R413	Q405-D409 PolarHBondContact NE2-OD1 3.44Å; Q405-D409 PolarHBondContact O-N 2.65Å; N406-D409 PolarHBondContact O-N 2.66Å; L407-D409 VanDerWaalsContact C-N 3.31Å; D409-K412 PolarHBondContact O-N 3.44Å; D409-R413 VanDerWaalsContact O-CG 3.32Å; D409-R413 WeakPolarHBondContact O-CG 3.37Å; D409-R413 PolarHBondContact O-N 3.4Å
410	V	90.9	Very high	89.5	Confident	30 Å²	30	62.3 Å²	62.3	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-47.2	172.7	174.6	0	0	0	0	110.7	N406 L407 K412 R413 S414 M418 L423	N406-V410 WeakPolarHBondContact O-CG2 3.15Å; N406-V410 PolarHBondContact O-N 3.08Å; L407-V410 PolarHBondContact O-N 3.21Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 3.36Å; V410-R413 WeakPolarHBondContact O-CB 3.42Å; V410-R413 PolarHBondContact O-N 3.2Å; V410-R413 VanDerWaalsContact O-N 3.14Å; V410-S414 PolarHBondContact O-N 3.28Å; V410-M418 HydrophobicContact CG1-CE 4.43Å; V410-M418 HydrophobicContact CG1-SD 3.99Å; V410-L423 HydrophobicContact CB-CD2 4.22Å; V410-L423 HydrophobicContact CG1-CD2 3.91Å
411	W	90.6	Very high	89.5	Confident	7 Å²	7	67 Å²	67	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-41.3	177.8	-172.9	57.4	0	0	0	111.9	I347 P380 F382 L407 R408 S414 R415 Y416 M418 L423	I347-W411 HydrophobicContact CG2-CZ3 4.34Å; P380-W411 HydrophobicContact CB-CH2 4.05Å; P380-W411 HydrophobicContact CB-CZ2 3.81Å; P380-W411 HydrophobicContact CG-CH2 3.8Å; P380-W411 HydrophobicContact CG-CZ2 3.86Å; P380-W411 WeakPolarHBondContact O-CH2 3.13Å; F382-W411 HydrophobicContact CB-CE3 4.31Å; F382-W411 HydrophobicContact CB-CH2 4.24Å; F382-W411 HydrophobicContact CB-CZ3 3.97Å; F382-W411 HydrophobicContact CD2-CB 4.3Å; F382-W411 AromaticContact CD2-CD2 3.73Å; F382-W411 HydrophobicContact CD2-CD2 3.73Å; F382-W411 AromaticContact CD2-CE3 3.54Å; F382-W411 HydrophobicContact CD2-CE3 3.54Å; F382-W411 HydrophobicContact CD2-CG 4.1Å; F382-W411 HydrophobicContact CD2-CZ3 4.08Å; F382-W411 HydrophobicContact CE2-CB 4.04Å; F382-W411 HydrophobicContact CE2-CD2 4.36Å; F382-W411 HydrophobicContact CE2-CE3 4.36Å; F382-W411 HydrophobicContact CE2-CG 4.27Å; F382-W411 HydrophobicContact CG-CE3 4.38Å; L407-W411 VanDerWaalsContact O-CB 3.28Å; L407-W411 WeakPolarHBondContact O-CB 3.11Å; L407-W411 PolarHBondContact O-N 3.07Å; R408-W411 PolarHBondContact O-N 3.26Å; W411-S414 CarbonylContact O-C 3.28Å; W411-S414 WeakPolarHBondContact O-CB 3.32Å; W411-S414 PolarHBondContact O-N 3.29Å; W411-S414 VanDerWaalsContact O-N 3.15Å; W411-S414 PolarHBondContact O-OG 3.13Å; W411-R415 PolarHBondContact O-N 2.93Å; W411-Y416 AromaticContact CD2-CD1 3.83Å; W411-Y416 HydrophobicContact CD2-CD1 3.83Å; W411-Y416 AromaticContact CE3-CD1 3.55Å; W411-Y416 HydrophobicContact CE3-CD1 3.55Å; W411-Y416 HydrophobicContact CE3-CE1 4.17Å; W411-Y416 AromaticContact CH2-CD1 3.98Å; W411-Y416 HydrophobicContact CH2-CD1 3.98Å; W411-Y416 HydrophobicContact CH2-CG 4.48Å; W411-Y416 HydrophobicContact CZ2-CD1 4.26Å; W411-Y416 AromaticContact CZ3-CD1 3.62Å; W411-Y416 HydrophobicContact CZ3-CD1 3.62Å; W411-Y416 HydrophobicContact CZ3-CE1 4.24Å; W411-Y416 PolarHBondContact NE1-O 3Å; W411-Y416 WeakPolarHBondContact O-CA 3.09Å; W411-Y416 PolarHBondContact O-N 3.49Å; W411-M418 VanDerWaalsContact CD1-O 3.29Å; W411-M418 PolarHBondContact NE1-O 3.13Å; W411-M418 VanDerWaalsContact NE1-O 3.15Å; W411-L423 HydrophobicContact CB-CD1 4Å; W411-L423 HydrophobicContact CB-CD2 3.81Å; W411-L423 HydrophobicContact CG-CD1 4Å
412	K	87.7	Confident	89.7	Confident	44 Å²	44	69.4 Å²	69.4	19%	0.191	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-40.6	173.9	-174.4	172.5	-174.4	177.1	0	112.4	D344 D348 R408 D409 V410 S414 R415 Y416	D344-K412 VanDerWaalsContact CB-CE 3.46Å; D344-K412 WeakPolarHBondContact OD1-CE 3.48Å; D344-K412 WeakPolarHBondContact OD2-CE 3.4Å; D344-K412 IonicContact OD2-NZ 3.83Å; D348-K412 IonicContact OD1-NZ 3.44Å; D348-K412 IonicContact OD2-NZ 2.71Å; D348-K412 PolarHBondContact OD2-NZ 3.1Å; R408-K412 VanDerWaalsContact O-CB 3.23Å; R408-K412 WeakPolarHBondContact O-CB 3.28Å; R408-K412 PolarHBondContact O-N 3.46Å; D409-K412 PolarHBondContact O-N 3.44Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 3.36Å; K412-S414 VanDerWaalsContact C-N 3.28Å; K412-S414 PolarHBondContact O-N 3.45Å; K412-R415 PolarHBondContact O-N 2.92Å; K412-Y416 HydrophobicContact CB-CE1 3.95Å; K412-Y416 HydrophobicContact CG-CE1 4Å
413	R	86.5	Confident	89.7	Confident	193 Å²	193	65.7 Å²	65.7	73%	0.728	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-31.7	173.2	-71	173.3	-166.5	165.6	6.2	112.5	D409 V410 R415	D409-R413 VanDerWaalsContact O-CG 3.32Å; D409-R413 WeakPolarHBondContact O-CG 3.37Å; D409-R413 PolarHBondContact O-N 3.4Å; V410-R413 WeakPolarHBondContact O-CB 3.42Å; V410-R413 PolarHBondContact O-N 3.2Å; V410-R413 VanDerWaalsContact O-N 3.14Å; R413-R415 PolarHBondContact O-N 3.38Å
414	S	86.7	Confident	89.7	Confident	24 Å²	24	65.9 Å²	65.9	17%	0.168	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	7.8	174.3	82	0	0	0	0	114.6	V410 W411 K412 Y416 Q417 M418	V410-S414 PolarHBondContact O-N 3.28Å; W411-S414 CarbonylContact O-C 3.28Å; W411-S414 WeakPolarHBondContact O-CB 3.32Å; W411-S414 PolarHBondContact O-N 3.29Å; W411-S414 VanDerWaalsContact O-N 3.15Å; W411-S414 PolarHBondContact O-OG 3.13Å; K412-S414 VanDerWaalsContact C-N 3.28Å; K412-S414 PolarHBondContact O-N 3.45Å; S414-Y416 PolarHBondContact O-N 3.26Å; S414-Q417 WeakPolarHBondContact O-CB 3.48Å; S414-Q417 PolarHBondContact O-N 3.23Å; S414-M418 WeakPolarHBondContact CB-SD 3.32Å; S414-M418 WeakPolarHBondContact OG-CG 3.3Å; S414-M418 PolarHBondContact OG-N 3.33Å
415	R	83.7	Confident	89.6	Confident	115 Å²	115	67.6 Å²	67.6	43%	0.434	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	35.7	-175.5	-50.4	-180	-177.5	-179.8	-4.4	112.3	D337 W411 K412 R413 Q417	D337-R415 IonicContact OD2-NE 2.79Å; W411-R415 PolarHBondContact O-N 2.93Å; K412-R415 PolarHBondContact O-N 2.92Å; R413-R415 PolarHBondContact O-N 3.38Å; R415-Q417 PolarHBondContact O-N 3.45Å
416	Y	87.9	Confident	89.4	Confident	20 Å²	20	65.9 Å²	65.9	8%	0.078	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	20.4	178	-40.9	-70.1	0	0	0	114.8	D344 I347 P380 W411 K412 S414	D344-Y416 WeakPolarHBondContact CA-OH 3.02Å; D344-Y416 PolarHBondContact N-OH 3.37Å; D344-Y416 PolarHBondContact OD1-OH 3.06Å; I347-Y416 HydrophobicContact CB-CE1 4.36Å; I347-Y416 HydrophobicContact CD1-CD1 3.48Å; I347-Y416 VanDerWaalsContact CD1-CD1 3.48Å; I347-Y416 HydrophobicContact CD1-CD2 3.75Å; I347-Y416 HydrophobicContact CD1-CE1 3.25Å; I347-Y416 HydrophobicContact CD1-CE2 3.55Å; I347-Y416 HydrophobicContact CD1-CG 3.69Å; I347-Y416 HydrophobicContact CG1-CE1 4.36Å; I347-Y416 HydrophobicContact CG2-CE1 4.09Å; P380-Y416 VanDerWaalsContact CG-CB 3.49Å; P380-Y416 HydrophobicContact CG-CG 4.09Å; W411-Y416 AromaticContact CD2-CD1 3.83Å; W411-Y416 HydrophobicContact CD2-CD1 3.83Å; W411-Y416 AromaticContact CE3-CD1 3.55Å; W411-Y416 HydrophobicContact CE3-CD1 3.55Å; W411-Y416 HydrophobicContact CE3-CE1 4.17Å; W411-Y416 AromaticContact CH2-CD1 3.98Å; W411-Y416 HydrophobicContact CH2-CD1 3.98Å; W411-Y416 HydrophobicContact CH2-CG 4.48Å; W411-Y416 HydrophobicContact CZ2-CD1 4.26Å; W411-Y416 AromaticContact CZ3-CD1 3.62Å; W411-Y416 HydrophobicContact CZ3-CD1 3.62Å; W411-Y416 HydrophobicContact CZ3-CE1 4.24Å; W411-Y416 PolarHBondContact NE1-O 3Å; W411-Y416 WeakPolarHBondContact O-CA 3.09Å; W411-Y416 PolarHBondContact O-N 3.49Å; K412-Y416 HydrophobicContact CB-CE1 3.95Å; K412-Y416 HydrophobicContact CG-CE1 4Å; S414-Y416 PolarHBondContact O-N 3.26Å
417	Q	86.6	Confident	89	Confident	158 Å²	158	63.3 Å²	63.3	74%	0.738	30%	0.298	S	S	*	.			trans	-91.3	-27.2	-178.9	-62.1	-175.1	-1.8	0	0	112.8	S414 R415 D419	S414-Q417 WeakPolarHBondContact O-CB 3.48Å; S414-Q417 PolarHBondContact O-N 3.23Å; R415-Q417 PolarHBondContact O-N 3.45Å; Q417-D419 PolarHBondContact O-N 3.3Å
418	M	90.9	Very high	87.7	Confident	37 Å²	37	69.1 Å²	69.1	18%	0.182	33%	0.329	C	S	.	.			trans	-64.1	136.6	-176.4	-75.9	170.2	101.4	0	0	112.3	V410 W411 S414 E422 L423 H426	V410-M418 HydrophobicContact CG1-CE 4.43Å; V410-M418 HydrophobicContact CG1-SD 3.99Å; W411-M418 VanDerWaalsContact CD1-O 3.29Å; W411-M418 PolarHBondContact NE1-O 3.13Å; W411-M418 VanDerWaalsContact NE1-O 3.15Å; S414-M418 WeakPolarHBondContact CB-SD 3.32Å; S414-M418 WeakPolarHBondContact OG-CG 3.3Å; S414-M418 PolarHBondContact OG-N 3.33Å; M418-E422 WeakPolarHBondContact CA-OE2 3.46Å; M418-E422 HydrophobicContact CB-CB 4.21Å; M418-E422 HydrophobicContact CE-CB 3.8Å; M418-E422 HydrophobicContact CG-CB 4.28Å; M418-L423 HydrophobicContact CB-CD2 4.16Å; M418-L423 HydrophobicContact CB-CG 4.01Å; M418-L423 HydrophobicContact SD-CD2 4.23Å; M418-H426 WeakPolarHBondContact CE-CE1 3.46Å
419	D	92.1	Very high	86.1	Confident	78 Å²	78	72.6 Å²	72.6	42%	0.417	35%	0.347	S	S	.	.			trans	-84.2	-177.1	176.6	73.4	30.6	0	0	0	112.5	Q417 D421 E422 L423	Q417-D419 PolarHBondContact O-N 3.3Å; D419-D421 PolarHBondContact O-N 3.1Å; D419-D421 PolarHBondContact OD1-N 3.17Å; D419-E422 PolarHBondContact N-OE2 3.1Å; D419-E422 WeakPolarHBondContact OD1-CG 3.25Å; D419-E422 PolarHBondContact OD1-N 3.49Å; D419-L423 WeakPolarHBondContact O-CG 3.39Å; D419-L423 PolarHBondContact O-N 3.35Å
420	K	92.9	Very high	84.2	Confident	74 Å²	74	77.4 Å²	77.4	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-46.6	-179.2	177.1	178.8	-71.4	-162.4	0	111.6	P383 V384 D388 L423 L424	P383-K420 HydrophobicContact CB-CB 4.19Å; P383-K420 WeakPolarHBondContact O-CE 3.37Å; V384-K420 HydrophobicContact CG2-CG 4.35Å; D388-K420 VanDerWaalsContact CG-NZ 3.34Å; D388-K420 IonicContact OD1-NZ 2.83Å; D388-K420 PolarHBondContact OD1-NZ 3.02Å; D388-K420 IonicContact OD2-NZ 2.65Å; D388-K420 PolarHBondContact OD2-NZ 3.42Å; D388-K420 VanDerWaalsContact OD2-NZ 3.14Å; K420-L423 PolarHBondContact O-N 3.5Å; K420-L424 HydrophobicContact CD-CD1 4.23Å; K420-L424 HydrophobicContact CG-CD1 3.74Å; K420-L424 HydrophobicContact CG-CG 4.19Å; K420-L424 WeakPolarHBondContact O-CB 3.47Å; K420-L424 VanDerWaalsContact O-CG 3.26Å; K420-L424 WeakPolarHBondContact O-CG 3.32Å; K420-L424 PolarHBondContact O-N 3.3Å
421	D	90.8	Very high	83.8	Confident	112 Å²	112	79.8 Å²	79.8	60%	0.599	39%	0.388	S	S	*	.	H	α-helix	trans	-73.1	-38	-169.7	-66.3	-26.8	0	0	0	110.5	D419 L423 L424 C425	D419-D421 PolarHBondContact O-N 3.1Å; D419-D421 PolarHBondContact OD1-N 3.17Å; D421-L423 VanDerWaalsContact C-N 3.35Å; D421-L423 PolarHBondContact O-N 2.76Å; D421-L424 PolarHBondContact O-N 2.88Å; D421-C425 PolarHBondContact O-N 3.4Å; D421-C425 PolarHBondContact O-SG 2.89Å
422	E	92.5	Very high	83.5	Confident	91 Å²	91	83.6 Å²	83.6	43%	0.425	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-40.3	173.5	-66.9	178.8	135	0	0	112.3	M418 D419 H426	M418-E422 WeakPolarHBondContact CA-OE2 3.46Å; M418-E422 HydrophobicContact CB-CB 4.21Å; M418-E422 HydrophobicContact CE-CB 3.8Å; M418-E422 HydrophobicContact CG-CB 4.28Å; D419-E422 PolarHBondContact N-OE2 3.1Å; D419-E422 WeakPolarHBondContact OD1-CG 3.25Å; D419-E422 PolarHBondContact OD1-N 3.49Å; E422-H426 PolarHBondContact O-ND1 3.46Å
423	L	91.7	Very high	83.2	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-72	-43.7	176.9	-72.7	170.9	0	0	0	112.4	F382 P383 V384 L407 V410 W411 M418 D419 K420 D421 C425 H426	F382-L423 HydrophobicContact CE2-CD1 3.91Å; P383-L423 HydrophobicContact CG-CD1 3.63Å; V384-L423 HydrophobicContact CG2-CB 3.78Å; V384-L423 HydrophobicContact CG2-CD1 3.94Å; L407-L423 HydrophobicContact CD2-CB 4.43Å; L407-L423 WeakPolarHBondContact CD2-O 3.39Å; V410-L423 HydrophobicContact CB-CD2 4.22Å; V410-L423 HydrophobicContact CG1-CD2 3.91Å; W411-L423 HydrophobicContact CB-CD1 4Å; W411-L423 HydrophobicContact CB-CD2 3.81Å; W411-L423 HydrophobicContact CG-CD1 4Å; M418-L423 HydrophobicContact CB-CD2 4.16Å; M418-L423 HydrophobicContact CB-CG 4.01Å; M418-L423 HydrophobicContact SD-CD2 4.23Å; D419-L423 WeakPolarHBondContact O-CG 3.39Å; D419-L423 PolarHBondContact O-N 3.35Å; K420-L423 PolarHBondContact O-N 3.5Å; D421-L423 VanDerWaalsContact C-N 3.35Å; D421-L423 PolarHBondContact O-N 2.76Å; L423-C425 PolarHBondContact O-N 3.28Å; L423-H426 WeakPolarHBondContact O-CB 3.38Å; L423-H426 PolarHBondContact O-N 3.4Å
424	L	90.8	Very high	83	Confident	26 Å²	26	79.5 Å²	79.5	14%	0.136	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-30.5	178.4	-68.5	179	0	0	0	112	V384 D388 L389 M392 K420 D421 H426 V427	V384-L424 HydrophobicContact CG1-CD2 3.67Å; V384-L424 HydrophobicContact CG2-CD2 4.2Å; V384-L424 HydrophobicContact CG2-CG 4.33Å; D388-L424 HydrophobicContact CB-CD1 4.27Å; D388-L424 HydrophobicContact CB-CD2 4.32Å; L389-L424 HydrophobicContact CD2-CD2 3.96Å; M392-L424 HydrophobicContact SD-CB 4.18Å; M392-L424 HydrophobicContact SD-CD1 4.46Å; M392-L424 HydrophobicContact SD-CD2 3.76Å; M392-L424 HydrophobicContact SD-CG 4.34Å; K420-L424 HydrophobicContact CD-CD1 4.23Å; K420-L424 HydrophobicContact CG-CD1 3.74Å; K420-L424 HydrophobicContact CG-CG 4.19Å; K420-L424 WeakPolarHBondContact O-CB 3.47Å; K420-L424 VanDerWaalsContact O-CG 3.26Å; K420-L424 WeakPolarHBondContact O-CG 3.32Å; K420-L424 PolarHBondContact O-N 3.3Å; D421-L424 PolarHBondContact O-N 2.88Å; L424-H426 PolarHBondContact O-N 2.95Å; L424-V427 WeakPolarHBondContact O-CB 3.33Å; L424-V427 PolarHBondContact O-N 3.03Å; L424-V427 VanDerWaalsContact O-N 3.13Å
425	C	88.9	Confident	82.8	Confident	72 Å²	72	82.9 Å²	82.9	49%	0.486	42%	0.416	S	S	.	.	H	α-helix	trans	-59.5	-25.7	171.2	-75.2	0	0	0	0	113.9	D421 L423	D421-C425 PolarHBondContact O-N 3.4Å; D421-C425 PolarHBondContact O-SG 2.89Å; L423-C425 PolarHBondContact O-N 3.28Å
426	H	85.6	Confident	82.7	Confident	62 Å²	62	80.8 Å²	80.8	29%	0.287	41%	0.414	S	S	.	.	H	α-helix	trans	-78.6	-21.7	178.3	-74.2	68.8	0	0	0	113	L407 M418 E422 L423 L424 N428 K429 T430	L407-H426 HydrophobicContact CD2-CB 4.11Å; M418-H426 WeakPolarHBondContact CE-CE1 3.46Å; E422-H426 PolarHBondContact O-ND1 3.46Å; L423-H426 WeakPolarHBondContact O-CB 3.38Å; L423-H426 PolarHBondContact O-N 3.4Å; L424-H426 PolarHBondContact O-N 2.95Å; H426-N428 VanDerWaalsContact C-N 3.28Å; H426-N428 PolarHBondContact O-N 3.31Å; H426-K429 PolarHBondContact O-N 3.18Å; H426-T430 PolarHBondContact O-OG1 3.22Å
427	V	81.8	Confident	82.4	Confident	20 Å²	20	85.1 Å²	85.1	12%	0.121	44%	0.438	C	S	.	.	H	α-helix	trans	-63.8	-37.6	174.1	-176.4	0	0	0	0	110.6	L389 M392 I394 T403 L407 L424 K429	L389-V427 HydrophobicContact CD2-CG2 3.95Å; M392-V427 HydrophobicContact CE-CB 4.02Å; M392-V427 HydrophobicContact CE-CG1 4.16Å; I394-V427 HydrophobicContact CD1-CG1 4.14Å; T403-V427 HydrophobicContact CG2-CG1 4.08Å; T403-V427 HydrophobicContact CG2-CG2 4.03Å; L407-V427 HydrophobicContact CD1-CG2 3.66Å; L407-V427 HydrophobicContact CD2-CG2 3.85Å; L407-V427 HydrophobicContact CG-CG2 4.09Å; L424-V427 WeakPolarHBondContact O-CB 3.33Å; L424-V427 PolarHBondContact O-N 3.03Å; L424-V427 VanDerWaalsContact O-N 3.13Å; V427-K429 PolarHBondContact O-N 3.28Å
428	N	64.8	Low	82.1	Confident	126 Å²	126	79.5 Å²	79.5	67%	0.674	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.8	-178.7	-65.9	-23	0	0	0	114.2	M392 H426	M392-N428 VanDerWaalsContact CE-OD1 3.32Å; M392-N428 WeakPolarHBondContact CE-OD1 3.4Å; H426-N428 VanDerWaalsContact C-N 3.28Å; H426-N428 PolarHBondContact O-N 3.31Å
429	K	55.7	Low	81.3	Confident	175 Å²	175	83.1 Å²	83.1	76%	0.761	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-5.4	-177.9	-69.6	-177.3	179.5	177	0	113.5	H426 V427	H426-K429 PolarHBondContact O-N 3.18Å; V427-K429 PolarHBondContact O-N 3.28Å
430	T	48.2	Very low	80.3	Confident	161 Å²	161	83.5 Å²	83.5	99%	0.988	44%	0.436	S	S	*	.			trans	-109.1	0	-179.7	-33.3	0	0	0	0	108.5	H426	H426-T430 PolarHBondContact O-OG1 3.22Å

Retrieved 430 of 430 residues in 1299.3 ms (Link to these results)

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