A0A060X538_ONCMY Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A060X538, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110528522, Length 393 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	60.9	Low	92.9	Very high	231 Å²	231	82.2 Å²	82.2	100%	1.138	46%	0.459	S	S	*	.				0	144	0	-69	172.1	-175.7	0	0	107.4
2	S	82.4	Confident	93.4	Very high	95 Å²	95	81.1 Å²	81.1	66%	0.664	44%	0.443	S	S	*	.			trans	-61.8	142.3	171.2	41.7	0	0	0	0	109.4	N262	S2-N262 PolarHBondContact O-ND2 3.19Å; S2-N262 PolarHBondContact OG-ND2 3.38Å
3	G	92.1	Very high	93.8	Very high	53 Å²	53	77.1 Å²	77.1	55%	0.546	42%	0.423	S	S	.	.			trans	-67.6	178.6	174.5	0	0	0	0	0	112.9	N262	G3-N262 PolarHBondContact O-ND2 3.45Å
4	P	96.6	Very high	94.2	Very high	64 Å²	64	76.4 Å²	76.4	42%	0.416	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.9	178.1	26.3	-34.3	0	0	0	111.5	Y206 M208 Y261	P4-Y206 HydrophobicContact CB-CD2 4.35Å; P4-Y206 HydrophobicContact CB-CE2 4.15Å; P4-M208 HydrophobicContact CG-CE 4.3Å; P4-Y261 CarbonylContact C-O 3.56Å; P4-Y261 WeakPolarHBondContact CA-O 3.37Å
5	V	98.3	Very high	94.5	Very high	64 Å²	64	73.1 Å²	73.1	39%	0.388	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-67.7	131	177.7	-178.3	0	0	0	0	109.2	Y206 Y261 N262	V5-Y206 WeakPolarHBondContact O-CE2 3.16Å; V5-Y206 PolarHBondContact O-OH 2.83Å; V5-Y261 HydrophobicContact CB-CD1 4.5Å; V5-Y261 PolarHBondContact N-O 2.79Å; V5-N262 HydrophobicContact CG2-CB 3.95Å
6	P	98.1	Very high	94.7	Very high	96 Å²	96	68.7 Å²	68.7	62%	0.623	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-62.5	150.4	177.2	-23.6	34	0	0	0	114	M208	P6-M208 HydrophobicContact CB-CE 4.27Å; P6-M208 HydrophobicContact CB-SD 3.94Å; P6-M208 HydrophobicContact CG-CE 4.42Å; P6-M208 HydrophobicContact CG-SD 4.49Å
7	S	98.6	Very high	94.9	Very high	8 Å²	8	70.1 Å²	70.1	6%	0.056	39%	0.389	C	S	.	.			trans	-129.7	154.2	175.6	168	0	0	0	0	111	Y206 M208 H309 Q310	S7-Y206 WeakPolarHBondContact CB-OH 3.38Å; S7-Y206 PolarHBondContact N-OH 3.16Å; S7-M208 WeakPolarHBondContact CB-O 3.13Å; S7-H309 PolarHBondContact OG-NE2 3.05Å; S7-Q310 PolarHBondContact OG-NE2 3.25Å
8	R	98.7	Very high	95.1	Very high	144 Å²	144	74.9 Å²	74.9	54%	0.543	41%	0.408	S	S	.	.			trans	-136.8	141.9	175.5	-67.7	-176.6	179.1	-105.6	-10.2	110.2	R10 T13 Y182 P184 Q310	R8-R10 PolarHBondContact O-N 3.34Å; R8-T13 HydrophobicContact CB-CG2 4.03Å; R8-Y182 WeakPolarHBondContact CA-OH 3.34Å; R8-P184 HydrophobicContact CG-CB 4.32Å; R8-P184 VanDerWaalsContact NH1-CB 3.29Å; R8-Q310 PolarHBondContact O-NE2 3.37Å; R8-Q310 PolarHBondContact O-OE1 3.39Å
9	A	98.9	Very high	95.3	Very high	3 Å²	3	76.8 Å²	76.8	3%	0.025	41%	0.408	C	S	.	.			trans	-54.4	139.2	174.2	0	0	0	0	0	111.1	V11 T13 Y182 D210 Y211	A9-V11 VanDerWaalsContact C-N 3.29Å; A9-V11 WeakPolarHBondContact CB-O 2.92Å; A9-V11 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 3.28Å; A9-Y182 HydrophobicContact CB-CD1 4.39Å; A9-Y182 HydrophobicContact CB-CE1 3.73Å; A9-Y182 HydrophobicContact CB-CE2 4.37Å; A9-Y182 PolarHBondContact N-OH 3.26Å; A9-D210 WeakPolarHBondContact CA-OD2 3.38Å; A9-D210 HydrophobicContact CB-CB 3.77Å; A9-Y211 HydrophobicContact CB-CD2 3.58Å; A9-Y211 HydrophobicContact CB-CE2 3.5Å; A9-Y211 VanDerWaalsContact CB-CE2 3.5Å
10	R	98.8	Very high	95.4	Very high	103 Å²	103	77.2 Å²	77.2	39%	0.389	42%	0.415	S	S	.	.	S	Bend	trans	-67.7	-29.8	176	-63.8	-163.9	-68.4	107.8	-4.1	113.3	R8 Q310 R312 E317	R8-R10 PolarHBondContact O-N 3.34Å; R10-Q310 VanDerWaalsContact CD-O 3.26Å; R10-Q310 WeakPolarHBondContact CD-O 3.34Å; R10-Q310 PolarHBondContact NE-O 3.06Å; R10-R312 PolarHBondContact NH2-O 3.35Å; R10-E317 IonicContact CZ-OE1 2.89Å; R10-E317 IonicContact CZ-OE2 3.04Å; R10-E317 IonicContact NH1-OE1 3.06Å; R10-E317 PolarHBondContact NH1-OE1 3.12Å; R10-E317 IonicContact NH1-OE2 3.37Å; R10-E317 PolarHBondContact NH1-OE2 2.92Å; R10-E317 IonicContact NH2-OE1 3.36Å; R10-E317 IonicContact NH2-OE2 3.23Å; R10-E317 PolarHBondContact NH2-OE2 3.15Å
11	V	98.8	Very high	95.6	Very high	43 Å²	43	81 Å²	81	26%	0.261	42%	0.423	S	S	.	.	S	Bend	trans	-129.8	156.2	-178	-66.2	0	0	0	0	109.8	A9 T13 Y211 T314	A9-V11 VanDerWaalsContact C-N 3.29Å; A9-V11 WeakPolarHBondContact CB-O 2.92Å; A9-V11 PolarHBondContact O-N 3.16Å; V11-T13 PolarHBondContact O-N 2.94Å; V11-Y211 VanDerWaalsContact O-CE2 3.29Å; V11-Y211 WeakPolarHBondContact O-CE2 3.19Å; V11-T314 HydrophobicContact CB-CG2 4.33Å; V11-T314 HydrophobicContact CG1-CG2 3.78Å; V11-T314 HydrophobicContact CG2-CG2 3.58Å
12	Y	98.8	Very high	97.3	Very high	69 Å²	69	76 Å²	76	27%	0.271	40%	0.397	S	S	.	.	S	Bend	trans	55.1	22.8	177.8	-46.9	-55.3	0	0	0	114.3	D14 V15 D145 H148 Y211	Y12-D14 VanDerWaalsContact C-N 3.32Å; Y12-D14 PolarHBondContact O-N 3.15Å; Y12-V15 HydrophobicContact CD1-CG1 4.29Å; Y12-V15 VanDerWaalsContact O-CG2 3.3Å; Y12-V15 WeakPolarHBondContact O-CG2 3.23Å; Y12-V15 PolarHBondContact O-N 2.73Å; Y12-D145 PolarHBondContact OH-OD1 3.11Å; Y12-H148 WeakPolarHBondContact CB-O 3.46Å; Y12-H148 VanDerWaalsContact CD2-C 3.45Å; Y12-H148 HydrophobicContact CD2-CB 3.82Å; Y12-H148 HydrophobicContact CE2-CB 3.98Å; Y12-Y211 PolarHBondContact O-OH 3.12Å
13	T	98.8	Very high	98.1	Very high	29 Å²	29	72.5 Å²	72.5	18%	0.178	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.4	-168.4	-40.3	0	0	0	0	113.6	R8 A9 V11 Y182 P184	R8-T13 HydrophobicContact CB-CG2 4.03Å; A9-T13 PolarHBondContact O-OG1 3.28Å; V11-T13 PolarHBondContact O-N 2.94Å; T13-Y182 HydrophobicContact CG2-CE1 4.34Å; T13-Y182 WeakPolarHBondContact O-CE1 3.28Å; T13-P184 HydrophobicContact CG2-CB 4.14Å
14	D	98.6	Very high	98.4	Very high	67 Å²	67	73.5 Å²	73.5	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	11.3	-171.7	-59.8	-60.7	0	0	0	113	Y12 N16 T17 Q18	Y12-D14 VanDerWaalsContact C-N 3.32Å; Y12-D14 PolarHBondContact O-N 3.15Å; D14-N16 VanDerWaalsContact C-N 3.31Å; D14-N16 PolarHBondContact O-N 3.23Å; D14-T17 WeakPolarHBondContact O-CB 3.42Å; D14-T17 PolarHBondContact O-N 2.85Å; D14-Q18 WeakPolarHBondContact O-CG 3.37Å; D14-Q18 PolarHBondContact O-N 2.85Å
15	V	98.6	Very high	98.5	Very high	28 Å²	28	71.6 Å²	71.6	17%	0.17	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39.9	-172.1	-62.6	0	0	0	0	112.3	Y12 Q18 R19	Y12-V15 HydrophobicContact CD1-CG1 4.29Å; Y12-V15 VanDerWaalsContact O-CG2 3.3Å; Y12-V15 WeakPolarHBondContact O-CG2 3.23Å; Y12-V15 PolarHBondContact O-N 2.73Å; V15-Q18 PolarHBondContact O-N 3.2Å; V15-R19 WeakPolarHBondContact O-CG 3.14Å; V15-R19 PolarHBondContact O-N 3.38Å
16	N	98.7	Very high	98.5	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.011	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-33.4	177	-72.4	-34	0	0	0	112.3	D14 Q18 R19 Y23 W24 G151 Y182	D14-N16 VanDerWaalsContact C-N 3.31Å; D14-N16 PolarHBondContact O-N 3.23Å; N16-Q18 PolarHBondContact O-N 3.17Å; N16-R19 PolarHBondContact O-N 3.37Å; N16-R19 VanDerWaalsContact O-N 3.16Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.28Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.28Å; N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.23Å; N16-W24 PolarHBondContact O-NE1 3.33Å; N16-W24 VanDerWaalsContact O-NE1 3.12Å; N16-G151 PolarHBondContact ND2-O 2.92Å; N16-Y182 PolarHBondContact ND2-N 3.02Å; N16-Y182 PolarHBondContact ND2-O 3.32Å
17	T	97.9	Very high	98.5	Very high	93 Å²	93	69.9 Å²	69.9	57%	0.571	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.4	175.1	-50.2	0	0	0	0	111.6	D14	D14-T17 WeakPolarHBondContact O-CB 3.42Å; D14-T17 PolarHBondContact O-N 2.85Å
18	Q	98.3	Very high	98.4	Very high	157 Å²	157	72.7 Å²	72.7	73%	0.734	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.2	179	-64	170.5	13.8	0	0	113.4	D14 V15 N16	D14-Q18 WeakPolarHBondContact O-CG 3.37Å; D14-Q18 PolarHBondContact O-N 2.85Å; V15-Q18 PolarHBondContact O-N 3.2Å; N16-Q18 PolarHBondContact O-N 3.17Å
19	R	98.4	Very high	98.4	Very high	111 Å²	111	67.3 Å²	67.3	42%	0.419	32%	0.323	S	S	.	.	S	Bend	trans	-90	154.9	178.9	-69.3	-81.9	-172.5	172.8	6.4	110.8	V15 N16 Y23	V15-R19 WeakPolarHBondContact O-CG 3.14Å; V15-R19 PolarHBondContact O-N 3.38Å; N16-R19 PolarHBondContact O-N 3.37Å; N16-R19 VanDerWaalsContact O-N 3.16Å; R19-Y23 HydrophobicContact CB-CD1 3.86Å; R19-Y23 HydrophobicContact CB-CG 3.89Å; R19-Y23 HydrophobicContact CG-CD1 3.89Å; R19-Y23 HydrophobicContact CG-CE1 4.22Å; R19-Y23 HydrophobicContact CG-CG 4.1Å
20	P	98.5	Very high	98.3	Very high	83 Å²	83	72.9 Å²	72.9	54%	0.539	36%	0.356	S	S	.	.			trans	-53	146.4	168.4	-22.9	33.3	0	0	0	110.9	E22 Y23	P20-E22 WeakPolarHBondContact CB-OE2 3.35Å; P20-E22 PolarHBondContact O-N 3.44Å; P20-E22 VanDerWaalsContact O-N 3.15Å; P20-Y23 WeakPolarHBondContact O-CB 3.28Å; P20-Y23 PolarHBondContact O-N 3.22Å
21	R	98.3	Very high	98.2	Very high	157 Å²	157	68.8 Å²	68.8	59%	0.592	34%	0.342	S	S	*	.	H	α-helix	trans	-55.6	-36.7	-177.4	178.3	176.9	171.8	170.8	-0.1	111.9	Y23 W24 D25	R21-Y23 PolarHBondContact O-N 3.25Å; R21-Y23 VanDerWaalsContact O-N 3.11Å; R21-W24 HydrophobicContact CB-CZ2 4.34Å; R21-W24 HydrophobicContact CG-CH2 4.11Å; R21-W24 HydrophobicContact CG-CZ2 4.01Å; R21-W24 PolarHBondContact O-N 3.46Å; R21-D25 HydrophobicContact CG-CB 3.79Å; R21-D25 IonicContact CZ-OD2 3.26Å; R21-D25 VanDerWaalsContact CZ-OD2 3.26Å; R21-D25 IonicContact NE-OD2 2.79Å; R21-D25 PolarHBondContact NE-OD2 2.78Å; R21-D25 IonicContact NH2-OD2 2.63Å; R21-D25 PolarHBondContact NH2-OD2 2.69Å; R21-D25 WeakPolarHBondContact O-CB 3.49Å; R21-D25 PolarHBondContact O-N 2.77Å
22	E	98.1	Very high	98.1	Very high	126 Å²	126	75.1 Å²	75.1	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-64.2	-16.1	-179.6	-53.5	71.2	-149.9	0	0	112.7	P20 K83	P20-E22 WeakPolarHBondContact CB-OE2 3.35Å; P20-E22 PolarHBondContact O-N 3.44Å; P20-E22 VanDerWaalsContact O-N 3.15Å; E22-K83 WeakPolarHBondContact O-CE 3.41Å; E22-K83 PolarHBondContact O-NZ 3.25Å
23	Y	98.8	Very high	98.1	Very high	23 Å²	23	76 Å²	76	9%	0.09	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-44.3	175.7	-177.8	-96.8	0	0	0	111.9	N16 R19 P20 R21 K83 N87 M150 F181	N16-Y23 VanDerWaalsContact OD1-CE1 3.28Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.28Å; R19-Y23 HydrophobicContact CB-CD1 3.86Å; R19-Y23 HydrophobicContact CB-CG 3.89Å; R19-Y23 HydrophobicContact CG-CD1 3.89Å; R19-Y23 HydrophobicContact CG-CE1 4.22Å; R19-Y23 HydrophobicContact CG-CG 4.1Å; P20-Y23 WeakPolarHBondContact O-CB 3.28Å; P20-Y23 PolarHBondContact O-N 3.22Å; R21-Y23 PolarHBondContact O-N 3.25Å; R21-Y23 VanDerWaalsContact O-N 3.11Å; Y23-K83 WeakPolarHBondContact O-CE 3.46Å; Y23-N87 HydrophobicContact CE2-CB 3.95Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.47Å; Y23-N87 PolarHBondContact O-ND2 3.36Å; Y23-M150 WeakPolarHBondContact CE1-O 3.47Å; Y23-M150 HydrophobicContact CE2-CE 4.29Å; Y23-M150 WeakPolarHBondContact OH-CB 3.2Å; Y23-M150 WeakPolarHBondContact OH-CE 3.46Å; Y23-M150 PolarHBondContact OH-O 3.07Å; Y23-F181 HydrophobicContact CD1-CE1 4.18Å; Y23-F181 HydrophobicContact CE1-CD1 4.3Å; Y23-F181 AromaticContact CE1-CE1 3.9Å; Y23-F181 HydrophobicContact CE1-CE1 3.9Å
24	W	98.5	Very high	98	Very high	74 Å²	74	75.9 Å²	75.9	28%	0.28	38%	0.377	S	S	.	.	H	α-helix	trans	-115.2	-18.1	-172.4	55	-101.3	0	0	0	113.7	N16 R21 Y26 F181 H183	N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.23Å; N16-W24 PolarHBondContact O-NE1 3.33Å; N16-W24 VanDerWaalsContact O-NE1 3.12Å; R21-W24 HydrophobicContact CB-CZ2 4.34Å; R21-W24 HydrophobicContact CG-CH2 4.11Å; R21-W24 HydrophobicContact CG-CZ2 4.01Å; R21-W24 PolarHBondContact O-N 3.46Å; W24-Y26 WeakPolarHBondContact O-CD1 3.38Å; W24-Y26 PolarHBondContact O-N 2.83Å; W24-F181 HydrophobicContact CB-CB 4.22Å; W24-F181 HydrophobicContact CB-CD1 3.7Å; W24-F181 HydrophobicContact CB-CD2 4.35Å; W24-F181 HydrophobicContact CB-CE1 4.12Å; W24-F181 HydrophobicContact CB-CG 3.83Å; W24-H183 AromaticContact CD2-CE1 3.51Å; W24-H183 AromaticContact CD2-NE2 3.92Å; W24-H183 AromaticContact CE3-CE1 3.74Å; W24-H183 AromaticContact CE3-NE2 3.8Å; W24-H183 AromaticContact CG-CE1 3.64Å
25	D	98.4	Very high	98	Very high	23 Å²	23	75.9 Å²	75.9	12%	0.123	38%	0.377	C	S	.	.			trans	-77.1	68.8	174.9	-170.7	-8.2	0	0	0	111.2	R21 E27 S28	R21-D25 HydrophobicContact CG-CB 3.79Å; R21-D25 IonicContact CZ-OD2 3.26Å; R21-D25 VanDerWaalsContact CZ-OD2 3.26Å; R21-D25 IonicContact NE-OD2 2.79Å; R21-D25 PolarHBondContact NE-OD2 2.78Å; R21-D25 IonicContact NH2-OD2 2.63Å; R21-D25 PolarHBondContact NH2-OD2 2.69Å; R21-D25 WeakPolarHBondContact O-CB 3.49Å; R21-D25 PolarHBondContact O-N 2.77Å; D25-E27 PolarHBondContact O-N 3.04Å; D25-E27 VanDerWaalsContact O-N 3.17Å; D25-E27 PolarHBondContact OD1-N 3.39Å; D25-S28 PolarHBondContact O-N 3.26Å; D25-S28 PolarHBondContact O-OG 3.38Å; D25-S28 PolarHBondContact OD1-N 3.02Å
26	Y	98.4	Very high	97.9	Very high	23 Å²	23	75.6 Å²	75.6	9%	0.09	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.3	-179.6	58.9	-99.6	0	0	0	113.3	W24 S28 H29 K76 K79 R80 E180 F181	W24-Y26 WeakPolarHBondContact O-CD1 3.38Å; W24-Y26 PolarHBondContact O-N 2.83Å; Y26-S28 VanDerWaalsContact C-N 3.34Å; Y26-H29 WeakPolarHBondContact O-CB 3.23Å; Y26-H29 PolarHBondContact O-N 3.15Å; Y26-K76 HydrophobicContact CD2-CG 4.41Å; Y26-K76 HydrophobicContact CE2-CD 4.26Å; Y26-K76 HydrophobicContact CE2-CG 3.65Å; Y26-K76 WeakPolarHBondContact OH-CE 3.2Å; Y26-K79 VanDerWaalsContact O-CB 3.24Å; Y26-K79 WeakPolarHBondContact O-CB 3.42Å; Y26-K79 VanDerWaalsContact O-CD 3.28Å; Y26-K79 WeakPolarHBondContact O-CD 3.28Å; Y26-R80 HydrophobicContact CD1-CB 4.23Å; Y26-R80 HydrophobicContact CD1-CG 3.91Å; Y26-R80 HydrophobicContact CD2-CB 3.6Å; Y26-R80 HydrophobicContact CD2-CG 4.16Å; Y26-R80 HydrophobicContact CE1-CB 4.34Å; Y26-R80 HydrophobicContact CE1-CG 3.84Å; Y26-R80 HydrophobicContact CE2-CB 3.71Å; Y26-R80 HydrophobicContact CE2-CG 4.08Å; Y26-R80 HydrophobicContact CG-CB 3.87Å; Y26-R80 HydrophobicContact CG-CG 4.07Å; Y26-E180 VanDerWaalsContact CE1-OE1 3.28Å; Y26-E180 WeakPolarHBondContact CE1-OE1 3.42Å; Y26-E180 PolarHBondContact OH-OE1 3.21Å; Y26-F181 AromaticContact CD1-CD2 3.73Å; Y26-F181 HydrophobicContact CD1-CD2 3.73Å; Y26-F181 AromaticContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CE1-CD2 4.08Å
27	E	97.3	Very high	97.9	Very high	102 Å²	102	80.1 Å²	80.1	48%	0.477	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-36.9	176	-64.2	-163.5	-135.3	0	0	111.3	D25 H29 K76 K79	D25-E27 PolarHBondContact O-N 3.04Å; D25-E27 VanDerWaalsContact O-N 3.17Å; D25-E27 PolarHBondContact OD1-N 3.39Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-K76 HydrophobicContact CG-CD 4.09Å; E27-K76 HydrophobicContact CG-CG 4.07Å; E27-K76 WeakPolarHBondContact OE1-CE 3.19Å; E27-K76 IonicContact OE1-NZ 3.73Å; E27-K76 PolarHBondContact OE1-NZ 3.46Å; E27-K79 PolarHBondContact O-NZ 2.65Å
28	S	97.4	Very high	97.9	Very high	67 Å²	67	78.4 Å²	78.4	47%	0.469	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.5	175.5	75.6	0	0	0	0	113.8	D25 Y26 V30	D25-S28 PolarHBondContact O-N 3.26Å; D25-S28 PolarHBondContact O-OG 3.38Å; D25-S28 PolarHBondContact OD1-N 3.02Å; Y26-S28 VanDerWaalsContact C-N 3.34Å; S28-V30 PolarHBondContact O-N 3.5Å
29	H	97.8	Very high	97.9	Very high	31 Å²	31	71.6 Å²	71.6	14%	0.144	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-58.9	131.1	-175.6	178.9	59.8	0	0	0	112.4	Y26 E27 K79 E86	Y26-H29 WeakPolarHBondContact O-CB 3.23Å; Y26-H29 PolarHBondContact O-N 3.15Å; E27-H29 VanDerWaalsContact C-N 3.32Å; H29-K79 WeakPolarHBondContact O-CD 3.41Å; H29-K79 VanDerWaalsContact O-CE 3.23Å; H29-K79 WeakPolarHBondContact O-CE 3.4Å; H29-K79 PolarHBondContact O-NZ 2.98Å; H29-E86 IonicContact CE1-OE1 2.85Å; H29-E86 IonicContact CE1-OE2 2.94Å; H29-E86 PolarHBondContact CE1-OE2 3Å; H29-E86 IonicContact NE2-OE1 3.94Å; H29-E86 IonicContact NE2-OE2 3.11Å; H29-E86 PolarHBondContact NE2-OE2 3.22Å
30	V	97.5	Very high	97.9	Very high	119 Å²	119	72.5 Å²	72.5	72%	0.721	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-98.7	119.6	176.5	-180	0	0	0	0	107.8	S28	S28-V30 PolarHBondContact O-N 3.5Å
31	V	96.9	Very high	97.9	Very high	17 Å²	17	71.8 Å²	71.8	10%	0.103	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-93.5	121.7	-179.4	179.5	0	0	0	0	108.8	W33 K79 I82 I100	V31-W33 HydrophobicContact CB-CZ2 3.98Å; V31-W33 HydrophobicContact CG1-CD2 3.86Å; V31-W33 VanDerWaalsContact CG1-CE2 3.49Å; V31-W33 HydrophobicContact CG1-CE3 4.29Å; V31-W33 HydrophobicContact CG1-CG 4.37Å; V31-W33 HydrophobicContact CG1-CH2 4.14Å; V31-W33 HydrophobicContact CG1-CZ2 3.67Å; V31-W33 HydrophobicContact CG1-CZ3 4.42Å; V31-W33 HydrophobicContact CG2-CZ2 4.46Å; V31-W33 PolarHBondContact O-NE1 3.35Å; V31-K79 HydrophobicContact CG2-CG 4.44Å; V31-I82 HydrophobicContact CG1-CD1 3.89Å; V31-I82 HydrophobicContact CG2-CD1 3.8Å; V31-I82 HydrophobicContact CG2-CG2 4.36Å; V31-I100 HydrophobicContact CG1-CB 4.41Å; V31-I100 HydrophobicContact CG1-CD1 4.22Å; V31-I100 HydrophobicContact CG1-CG2 3.65Å
32	E	96.8	Very high	97.9	Very high	177 Å²	177	68.2 Å²	68.2	83%	0.827	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-78.6	123.3	166.2	-63.4	-173	174.9	0	0	108.6
33	W	97.8	Very high	97.9	Very high	86 Å²	86	68.7 Å²	68.7	33%	0.326	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-103.6	118.7	-175.3	-63.3	90.4	0	0	0	109.8	V31 I78 I82 I100 K102 P109	V31-W33 HydrophobicContact CB-CZ2 3.98Å; V31-W33 HydrophobicContact CG1-CD2 3.86Å; V31-W33 VanDerWaalsContact CG1-CE2 3.49Å; V31-W33 HydrophobicContact CG1-CE3 4.29Å; V31-W33 HydrophobicContact CG1-CG 4.37Å; V31-W33 HydrophobicContact CG1-CH2 4.14Å; V31-W33 HydrophobicContact CG1-CZ2 3.67Å; V31-W33 HydrophobicContact CG1-CZ3 4.42Å; V31-W33 HydrophobicContact CG2-CZ2 4.46Å; V31-W33 PolarHBondContact O-NE1 3.35Å; W33-I78 HydrophobicContact CH2-CG2 4.2Å; W33-I82 HydrophobicContact CH2-CD1 4.28Å; W33-I100 WeakPolarHBondContact CA-O 3.46Å; W33-I100 HydrophobicContact CD2-CG2 4.44Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.13Å; W33-I100 HydrophobicContact CZ3-CG2 3.48Å; W33-I100 VanDerWaalsContact CZ3-CG2 3.48Å; W33-K102 HydrophobicContact CB-CD 4.31Å; W33-K102 HydrophobicContact CD2-CD 3.58Å; W33-K102 HydrophobicContact CD2-CG 3.93Å; W33-K102 HydrophobicContact CE3-CB 4.36Å; W33-K102 HydrophobicContact CE3-CD 3.72Å; W33-K102 HydrophobicContact CE3-CG 3.5Å; W33-K102 HydrophobicContact CG-CD 3.83Å; W33-K102 HydrophobicContact CG-CG 4.43Å; W33-K102 HydrophobicContact CZ3-CD 4.31Å; W33-K102 HydrophobicContact CZ3-CG 3.94Å; W33-K102 VanDerWaalsContact NE1-NZ 3.12Å; W33-P109 HydrophobicContact CE3-CB 4.41Å; W33-P109 HydrophobicContact CH2-CB 3.49Å; W33-P109 VanDerWaalsContact CH2-CB 3.49Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å
34	G	97.9	Very high	97.8	Very high	28 Å²	28	72.4 Å²	72.4	29%	0.289	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	179	167.4	0	0	0	0	0	113.1	I100 V101 K102	G34-I100 PolarHBondContact N-O 3.27Å; G34-V101 WeakPolarHBondContact O-CA 3.48Å; G34-K102 PolarHBondContact O-N 2.83Å
35	N	97.6	Very high	97.6	Very high	66 Å²	66	72.4 Å²	72.4	35%	0.353	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125	-179.8	-170.2	3.6	0	0	0	111	D37 D38	N35-D37 PolarHBondContact O-N 2.87Å; N35-D37 PolarHBondContact OD1-N 3.19Å; N35-D38 PolarHBondContact O-N 3.37Å
36	Q	97.4	Very high	97.2	Very high	22 Å²	22	72.6 Å²	72.6	10%	0.103	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-68.5	-21.7	178.6	-169.1	177.7	-54.9	0	0	112.8	D38 F39 V101 K102	Q36-D38 PolarHBondContact O-N 2.81Å; Q36-D38 VanDerWaalsContact O-N 3.13Å; Q36-F39 PolarHBondContact O-N 3.06Å; Q36-V101 HydrophobicContact CB-CB 4.13Å; Q36-V101 HydrophobicContact CB-CG2 3.82Å; Q36-V101 HydrophobicContact CG-CG2 3.89Å; Q36-K102 WeakPolarHBondContact CB-O 3.21Å; Q36-K102 PolarHBondContact N-O 2.86Å
37	D	97.9	Very high	97	Very high	98 Å²	98	80.3 Å²	80.3	52%	0.524	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-64.2	-15.4	178.5	-66.6	-12.7	0	0	0	113.1	N35 F39 I59 P104	N35-D37 PolarHBondContact O-N 2.87Å; N35-D37 PolarHBondContact OD1-N 3.19Å; D37-F39 PolarHBondContact O-N 3.44Å; D37-I59 WeakPolarHBondContact O-CD1 3.15Å; D37-P104 WeakPolarHBondContact OD2-CG 3.32Å
38	D	98.1	Very high	96.5	Very high	57 Å²	57	77 Å²	77	31%	0.305	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-70.2	-7.6	172.9	-60.3	-23.8	0	0	0	112.3	N35 Q36 N58 I59 T60	N35-D38 PolarHBondContact O-N 3.37Å; Q36-D38 PolarHBondContact O-N 2.81Å; Q36-D38 VanDerWaalsContact O-N 3.13Å; D38-N58 WeakPolarHBondContact O-CA 3.28Å; D38-I59 WeakPolarHBondContact O-CG1 3.24Å; D38-I59 PolarHBondContact O-N 3.35Å; D38-T60 HydrophobicContact CB-CG2 4.49Å
39	F	98.6	Very high	96	Very high	14 Å²	14	81.6 Å²	81.6	6%	0.061	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.2	-175.2	-58.1	-82.2	0	0	0	112.3	Q36 D37 I57 N58 V65 V67 D99 V101 V112	Q36-F39 PolarHBondContact O-N 3.06Å; D37-F39 PolarHBondContact O-N 3.44Å; F39-I57 WeakPolarHBondContact CA-O 3.3Å; F39-N58 HydrophobicContact CD1-CB 3.87Å; F39-N58 HydrophobicContact CE1-CB 3.68Å; F39-V65 HydrophobicContact CD1-CG2 3.7Å; F39-V65 HydrophobicContact CE1-CG2 4.09Å; F39-V67 HydrophobicContact CB-CG2 4.31Å; F39-D99 HydrophobicContact CZ-CB 4.18Å; F39-V101 HydrophobicContact CD2-CG1 4.17Å; F39-V101 HydrophobicContact CE2-CG1 3.7Å; F39-V112 HydrophobicContact CD1-CG1 4.1Å; F39-V112 HydrophobicContact CD2-CG2 4.21Å; F39-V112 HydrophobicContact CE1-CB 4.5Å; F39-V112 HydrophobicContact CE1-CG1 3.63Å; F39-V112 HydrophobicContact CE1-CG2 4.3Å; F39-V112 HydrophobicContact CE2-CG2 3.97Å; F39-V112 HydrophobicContact CG-CG2 4.49Å; F39-V112 HydrophobicContact CZ-CB 4.4Å; F39-V112 HydrophobicContact CZ-CG1 3.98Å; F39-V112 HydrophobicContact CZ-CG2 4Å
40	Q	98.3	Very high	95.7	Very high	129 Å²	129	84.4 Å²	84.4	60%	0.603	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	114.3	175.5	-171.7	178.3	22	0	0	110.7	V42 A56 I57 I59	Q40-V42 PolarHBondContact O-N 3.36Å; Q40-A56 CarbonylContact O-C 3.54Å; Q40-A56 WeakPolarHBondContact O-CA 3.42Å; Q40-A56 VanDerWaalsContact O-CB 3.29Å; Q40-A56 WeakPolarHBondContact O-CB 3.49Å; Q40-I57 PolarHBondContact N-O 3.26Å; Q40-I57 PolarHBondContact O-N 2.99Å; Q40-I59 HydrophobicContact CB-CG2 3.97Å
41	L	98.2	Very high	95.6	Very high	69 Å²	69	79.1 Å²	79.1	36%	0.361	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.7	176.1	-54.7	-174.7	0	0	0	110.8	F54 A56 V67 I69	L41-F54 HydrophobicContact CD1-CD1 4.3Å; L41-F54 HydrophobicContact CD1-CD2 4.47Å; L41-F54 HydrophobicContact CD1-CG 4.24Å; L41-F54 HydrophobicContact CD2-CB 3.98Å; L41-F54 HydrophobicContact CD2-CG 4.39Å; L41-A56 HydrophobicContact CD2-CB 3.96Å; L41-V67 HydrophobicContact CD2-CB 4Å; L41-V67 HydrophobicContact CD2-CG1 4.23Å; L41-V67 HydrophobicContact CD2-CG2 4.14Å; L41-I69 HydrophobicContact CD1-CD1 4.17Å
42	V	97.9	Very high	95.6	Very high	82 Å²	82	80.8 Å²	80.8	50%	0.497	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-58.2	-179	177.4	0	0	0	0	110.8	Q40 E55 I57	Q40-V42 PolarHBondContact O-N 3.36Å; V42-E55 HydrophobicContact CB-CG 4.48Å; V42-E55 PolarHBondContact N-O 3.29Å; V42-I57 HydrophobicContact CG2-CD1 4.43Å; V42-I57 HydrophobicContact CG2-CG1 3.8Å
43	R	97.3	Very high	95.6	Very high	136 Å²	136	74 Å²	74	51%	0.513	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	153.5	-178.6	64.2	176.3	179.9	104.8	7.6	111.8	L45 F54 E55	R43-L45 HydrophobicContact CG-CD2 4.46Å; R43-L45 VanDerWaalsContact NH1-CD2 3.32Å; R43-F54 CarbonylContact O-C 3.59Å; R43-F54 VanDerWaalsContact O-CA 3.28Å; R43-F54 WeakPolarHBondContact O-CA 3.16Å; R43-E55 HydrophobicContact CG-CB 4Å; R43-E55 IonicContact CZ-OE2 3.78Å; R43-E55 PolarHBondContact N-O 3.47Å; R43-E55 IonicContact NE-OE2 2.9Å; R43-E55 PolarHBondContact NE-OE2 3.16Å; R43-E55 IonicContact NH2-OE2 3.41Å; R43-E55 PolarHBondContact NH2-OE2 3.28Å; R43-E55 PolarHBondContact O-N 2.96Å
44	K	97.1	Very high	95.7	Very high	100 Å²	100	71.5 Å²	71.5	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.8	174.4	-166.2	172	-170.3	163.9	0	110.3	E52 F54	K44-E52 IonicContact NZ-OE1 3.05Å; K44-E52 PolarHBondContact NZ-OE1 3.13Å; K44-F54 HydrophobicContact CB-CD1 3.89Å; K44-F54 HydrophobicContact CB-CE1 3.74Å; K44-F54 HydrophobicContact CD-CE1 4.17Å; K44-F54 HydrophobicContact CD-CZ 4.28Å; K44-F54 HydrophobicContact CG-CD1 4.18Å; K44-F54 HydrophobicContact CG-CE1 3.82Å; K44-F54 HydrophobicContact CG-CZ 4.17Å
45	L	93.9	Very high	95.7	Very high	74 Å²	74	70.8 Å²	70.8	39%	0.387	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-35.4	176.2	-62	179.6	0	0	0	111.9	R43 V53 E55 V66	R43-L45 HydrophobicContact CG-CD2 4.46Å; R43-L45 VanDerWaalsContact NH1-CD2 3.32Å; L45-V53 HydrophobicContact CB-CG1 4.31Å; L45-V53 HydrophobicContact CD1-CG1 4.37Å; L45-V53 PolarHBondContact N-O 3.37Å; L45-E55 HydrophobicContact CD1-CB 4.12Å; L45-E55 HydrophobicContact CD2-CB 4.07Å; L45-E55 HydrophobicContact CG-CB 4.14Å; L45-V66 HydrophobicContact CD1-CG1 4.26Å; L45-V66 HydrophobicContact CD1-CG2 4.06Å
46	G	91.8	Very high	95.7	Very high	28 Å²	28	67.6 Å²	67.6	29%	0.289	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	171.3	-176.2	0	0	0	0	0	114.3	V53	G46-V53 PolarHBondContact N-O 2.97Å; G46-V53 PolarHBondContact O-N 3.26Å
47	R	92.5	Very high	95.8	Very high	184 Å²	184	68 Å²	68	69%	0.694	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	116.7	177.1	-173.7	176.1	-164.2	-147.5	-3.2	109.3	E52	R47-E52 WeakPolarHBondContact CD-OE1 3.45Å; R47-E52 HydrophobicContact CG-CG 4.26Å; R47-E52 IonicContact NE-OE1 3.76Å; R47-E52 PolarHBondContact NE-OE1 3.09Å; R47-E52 VanDerWaalsContact NE-OE1 3.17Å
48	G	87.6	Confident	95.8	Very high	32 Å²	32	64.1 Å²	64.1	33%	0.33	31%	0.31	S	S	.	.			trans	-98.7	176.8	174.3	0	0	0	0	0	112.4	Y50 S51 K71	G48-Y50 VanDerWaalsContact C-N 3.28Å; G48-Y50 PolarHBondContact O-N 3.19Å; G48-S51 PolarHBondContact N-O 2.61Å; G48-K71 PolarHBondContact O-NZ 3.17Å
49	K	86.9	Confident	95.8	Very high	164 Å²	164	66 Å²	66	71%	0.713	32%	0.318	S	S	*	.	S	Bend	trans	-61	-39.2	172.4	-177.2	174.1	178	-175.2	0	111.8	K71	K49-K71 WeakPolarHBondContact O-CD 3.3Å
50	Y	91.2	Very high	95.7	Very high	91 Å²	91	70.1 Å²	70.1	36%	0.357	35%	0.345	S	S	.	.	S	Bend	trans	-112.2	-1.3	-172.4	-56.7	-69	0	0	0	114.3	G48 K71 V73	G48-Y50 VanDerWaalsContact C-N 3.28Å; G48-Y50 PolarHBondContact O-N 3.19Å; Y50-K71 WeakPolarHBondContact O-CB 3.45Å; Y50-K71 PolarHBondContact O-N 2.82Å; Y50-V73 HydrophobicContact CD1-CG1 3.67Å; Y50-V73 HydrophobicContact CE1-CG1 4.47Å; Y50-V73 HydrophobicContact CG-CG1 4.43Å
51	S	95.3	Very high	95.6	Very high	7 Å²	7	67.5 Å²	67.5	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	165.8	-175.7	59.2	0	0	0	0	113.1	G48 K68 I69	G48-S51 PolarHBondContact N-O 2.61Å; S51-K68 WeakPolarHBondContact OG-CE 3.35Å; S51-I69 CarbonylContact C-O 3.6Å; S51-I69 WeakPolarHBondContact CA-O 3.37Å; S51-I69 VanDerWaalsContact CB-O 3.27Å; S51-I69 WeakPolarHBondContact CB-O 3.2Å
52	E	97.4	Very high	95.6	Very high	52 Å²	52	70.5 Å²	70.5	24%	0.243	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.2	163	-56.1	-160.4	109.3	0	0	108.1	K44 R47 F54 K68 I69	K44-E52 IonicContact NZ-OE1 3.05Å; K44-E52 PolarHBondContact NZ-OE1 3.13Å; R47-E52 WeakPolarHBondContact CD-OE1 3.45Å; R47-E52 HydrophobicContact CG-CG 4.26Å; R47-E52 IonicContact NE-OE1 3.76Å; R47-E52 PolarHBondContact NE-OE1 3.09Å; R47-E52 VanDerWaalsContact NE-OE1 3.17Å; E52-F54 HydrophobicContact CB-CE2 3.63Å; E52-F54 HydrophobicContact CB-CZ 4.22Å; E52-K68 CarbonylContact O-C 3.55Å; E52-I69 PolarHBondContact N-O 3.37Å; E52-I69 PolarHBondContact O-N 2.85Å
53	V	97.7	Very high	95.5	Very high	35 Å²	35	72 Å²	72	21%	0.212	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.1	-170.3	-173.3	0	0	0	0	109.3	L45 G46 V66 V67 K68	L45-V53 HydrophobicContact CB-CG1 4.31Å; L45-V53 HydrophobicContact CD1-CG1 4.37Å; L45-V53 PolarHBondContact N-O 3.37Å; G46-V53 PolarHBondContact N-O 2.97Å; G46-V53 PolarHBondContact O-N 3.26Å; V53-V66 HydrophobicContact CG1-CG1 3.39Å; V53-V67 WeakPolarHBondContact CA-O 3.03Å; V53-K68 HydrophobicContact CG2-CB 4.5Å; V53-K68 HydrophobicContact CG2-CG 4.2Å
54	F	98.2	Very high	95.6	Very high	33 Å²	33	71 Å²	71	15%	0.145	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.9	-175.1	-62.4	-96	0	0	0	110.8	L41 R43 K44 E52 V66 V67 I69	L41-F54 HydrophobicContact CD1-CD1 4.3Å; L41-F54 HydrophobicContact CD1-CD2 4.47Å; L41-F54 HydrophobicContact CD1-CG 4.24Å; L41-F54 HydrophobicContact CD2-CB 3.98Å; L41-F54 HydrophobicContact CD2-CG 4.39Å; R43-F54 CarbonylContact O-C 3.59Å; R43-F54 VanDerWaalsContact O-CA 3.28Å; R43-F54 WeakPolarHBondContact O-CA 3.16Å; K44-F54 HydrophobicContact CB-CD1 3.89Å; K44-F54 HydrophobicContact CB-CE1 3.74Å; K44-F54 HydrophobicContact CD-CE1 4.17Å; K44-F54 HydrophobicContact CD-CZ 4.28Å; K44-F54 HydrophobicContact CG-CD1 4.18Å; K44-F54 HydrophobicContact CG-CE1 3.82Å; K44-F54 HydrophobicContact CG-CZ 4.17Å; E52-F54 HydrophobicContact CB-CE2 3.63Å; E52-F54 HydrophobicContact CB-CZ 4.22Å; F54-V66 CarbonylContact O-C 3.54Å; F54-V66 WeakPolarHBondContact O-CA 3.46Å; F54-V67 PolarHBondContact N-O 2.89Å; F54-V67 PolarHBondContact O-N 3.34Å; F54-I69 HydrophobicContact CD2-CD1 4.01Å; F54-I69 HydrophobicContact CD2-CG1 4.33Å; F54-I69 HydrophobicContact CE2-CD1 3.79Å; F54-I69 HydrophobicContact CE2-CG1 4.36Å
55	E	98.1	Very high	95.7	Very high	13 Å²	13	66.4 Å²	66.4	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.5	158.4	-179.5	177.2	169.7	0	0	107	V42 R43 L45 K64	V42-E55 HydrophobicContact CB-CG 4.48Å; V42-E55 PolarHBondContact N-O 3.29Å; R43-E55 HydrophobicContact CG-CB 4Å; R43-E55 IonicContact CZ-OE2 3.78Å; R43-E55 PolarHBondContact N-O 3.47Å; R43-E55 IonicContact NE-OE2 2.9Å; R43-E55 PolarHBondContact NE-OE2 3.16Å; R43-E55 IonicContact NH2-OE2 3.41Å; R43-E55 PolarHBondContact NH2-OE2 3.28Å; R43-E55 PolarHBondContact O-N 2.96Å; L45-E55 HydrophobicContact CD1-CB 4.12Å; L45-E55 HydrophobicContact CD2-CB 4.07Å; L45-E55 HydrophobicContact CG-CB 4.14Å; E55-K64 IonicContact OE1-NZ 3.47Å; E55-K64 PolarHBondContact OE1-NZ 3.46Å
56	A	98.6	Very high	95.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.7	178.7	0	0	0	0	0	110.9	Q40 L41 V65 V67	Q40-A56 CarbonylContact O-C 3.54Å; Q40-A56 WeakPolarHBondContact O-CA 3.42Å; Q40-A56 VanDerWaalsContact O-CB 3.29Å; Q40-A56 WeakPolarHBondContact O-CB 3.49Å; L41-A56 HydrophobicContact CD2-CB 3.96Å; A56-V65 HydrophobicContact CB-CG2 3.98Å; A56-V65 PolarHBondContact N-O 3.03Å; A56-V65 PolarHBondContact O-N 3.27Å; A56-V67 HydrophobicContact CB-CB 4.5Å; A56-V67 HydrophobicContact CB-CG2 3.59Å
57	I	98.6	Very high	96.2	Very high	30 Å²	30	62.6 Å²	62.6	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.3	171	-55.8	-59	0	0	0	108.4	F39 Q40 V42 I59 E63 K64	F39-I57 WeakPolarHBondContact CA-O 3.3Å; Q40-I57 PolarHBondContact N-O 3.26Å; Q40-I57 PolarHBondContact O-N 2.99Å; V42-I57 HydrophobicContact CG2-CD1 4.43Å; V42-I57 HydrophobicContact CG2-CG1 3.8Å; I57-I59 PolarHBondContact O-N 3.12Å; I57-E63 WeakPolarHBondContact CA-O 3.46Å; I57-K64 HydrophobicContact CD1-CB 4.41Å; I57-K64 HydrophobicContact CD1-CG 3.64Å
58	N	98.3	Very high	96.5	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	115.2	165.3	179.7	-16.6	0	0	0	108.6	D38 F39 T60 N61 N62 E63	D38-N58 WeakPolarHBondContact O-CA 3.28Å; F39-N58 HydrophobicContact CD1-CB 3.87Å; F39-N58 HydrophobicContact CE1-CB 3.68Å; N58-T60 PolarHBondContact ND2-OG1 2.66Å; N58-T60 PolarHBondContact O-N 3.5Å; N58-T60 WeakPolarHBondContact OD1-CB 3.46Å; N58-T60 PolarHBondContact OD1-N 3.02Å; N58-T60 PolarHBondContact OD1-OG1 3Å; N58-N61 VanDerWaalsContact CB-OD1 3.26Å; N58-N61 WeakPolarHBondContact CB-OD1 3.25Å; N58-N61 VanDerWaalsContact CG-OD1 3.26Å; N58-N61 PolarHBondContact ND2-OD1 3.2Å; N58-N61 PolarHBondContact O-OD1 3.14Å; N58-N62 WeakPolarHBondContact O-CA 3.46Å; N58-N62 PolarHBondContact O-N 3.27Å; N58-E63 PolarHBondContact N-O 3.41Å
59	I	97.6	Very high	97	Very high	96 Å²	96	54.5 Å²	54.5	49%	0.492	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.5	-173.1	69.6	-175.4	0	0	0	113	D37 D38 Q40 I57	D37-I59 WeakPolarHBondContact O-CD1 3.15Å; D38-I59 WeakPolarHBondContact O-CG1 3.24Å; D38-I59 PolarHBondContact O-N 3.35Å; Q40-I59 HydrophobicContact CB-CG2 3.97Å; I57-I59 PolarHBondContact O-N 3.12Å
60	T	96.8	Very high	97.5	Very high	101 Å²	101	47 Å²	47	62%	0.62	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-30.2	-178.9	67.9	0	0	0	0	112.7	D38 N58	D38-T60 HydrophobicContact CB-CG2 4.49Å; N58-T60 PolarHBondContact ND2-OG1 2.66Å; N58-T60 PolarHBondContact O-N 3.5Å; N58-T60 WeakPolarHBondContact OD1-CB 3.46Å; N58-T60 PolarHBondContact OD1-N 3.02Å; N58-T60 PolarHBondContact OD1-OG1 3Å
61	N	97.2	Very high	97.6	Very high	74 Å²	74	45.3 Å²	45.3	40%	0.396	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-0.7	-175.4	69	3.6	0	0	0	114.1	N58 E63	N58-N61 VanDerWaalsContact CB-OD1 3.26Å; N58-N61 WeakPolarHBondContact CB-OD1 3.25Å; N58-N61 VanDerWaalsContact CG-OD1 3.26Å; N58-N61 PolarHBondContact ND2-OD1 3.2Å; N58-N61 PolarHBondContact O-OD1 3.14Å; N61-E63 HydrophobicContact CB-CG 4.48Å; N61-E63 VanDerWaalsContact ND2-CD 3.25Å; N61-E63 PolarHBondContact ND2-OE2 3.22Å; N61-E63 PolarHBondContact O-N 2.9Å; N61-E63 WeakPolarHBondContact OD1-CB 3.49Å; N61-E63 PolarHBondContact OD1-N 3Å
62	N	97.1	Very high	97.6	Very high	131 Å²	131	51.7 Å²	51.7	70%	0.701	27%	0.272	S	S	*	.			trans	62	22.1	-179.4	-155.1	45.7	0	0	0	114.6	N58	N58-N62 WeakPolarHBondContact O-CA 3.46Å; N58-N62 PolarHBondContact O-N 3.27Å
63	E	97.4	Very high	97.4	Very high	113 Å²	113	51.2 Å²	51.2	53%	0.528	27%	0.273	S	S	.	.			trans	-81.2	141.6	176.8	-68.9	-178.1	158.1	0	0	112	I57 N58 N61	I57-E63 WeakPolarHBondContact CA-O 3.46Å; N58-E63 PolarHBondContact N-O 3.41Å; N61-E63 HydrophobicContact CB-CG 4.48Å; N61-E63 VanDerWaalsContact ND2-CD 3.25Å; N61-E63 PolarHBondContact ND2-OE2 3.22Å; N61-E63 PolarHBondContact O-N 2.9Å; N61-E63 WeakPolarHBondContact OD1-CB 3.49Å; N61-E63 PolarHBondContact OD1-N 3Å
64	K	98	Very high	97.3	Very high	117 Å²	117	58 Å²	58	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.8	170.1	-69.2	-169.2	174.3	-158.2	0	110.3	E55 I57 H115	E55-K64 IonicContact OE1-NZ 3.47Å; E55-K64 PolarHBondContact OE1-NZ 3.46Å; I57-K64 HydrophobicContact CD1-CB 4.41Å; I57-K64 HydrophobicContact CD1-CG 3.64Å; K64-H115 HydrophobicContact CB-CB 3.93Å; K64-H115 VanDerWaalsContact O-CB 3.26Å; K64-H115 WeakPolarHBondContact O-CB 3.45Å
65	V	98.6	Very high	97.1	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	169.2	177.9	-61.1	0	0	0	0	111.2	F39 A56 V67 V112 F113	F39-V65 HydrophobicContact CD1-CG2 3.7Å; F39-V65 HydrophobicContact CE1-CG2 4.09Å; A56-V65 HydrophobicContact CB-CG2 3.98Å; A56-V65 PolarHBondContact N-O 3.03Å; A56-V65 PolarHBondContact O-N 3.27Å; V65-V67 HydrophobicContact CG2-CG2 4.32Å; V65-V112 HydrophobicContact CB-CG1 3.79Å; V65-V112 HydrophobicContact CG1-CG1 4.15Å; V65-V112 HydrophobicContact CG2-CG1 3.82Å; V65-F113 WeakPolarHBondContact CA-O 3.23Å; V65-F113 WeakPolarHBondContact CB-O 3.42Å
66	V	98.5	Very high	97	Very high	21 Å²	21	68.6 Å²	68.6	13%	0.127	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.4	171.6	174.7	0	0	0	0	109.5	L45 V53 F54 V112 F113	L45-V66 HydrophobicContact CD1-CG1 4.26Å; L45-V66 HydrophobicContact CD1-CG2 4.06Å; V53-V66 HydrophobicContact CG1-CG1 3.39Å; F54-V66 CarbonylContact O-C 3.54Å; F54-V66 WeakPolarHBondContact O-CA 3.46Å; V66-V112 CarbonylContact O-C 3.54Å; V66-V112 WeakPolarHBondContact O-CA 3.36Å; V66-F113 HydrophobicContact CB-CB 4.38Å; V66-F113 PolarHBondContact N-O 3.5Å; V66-F113 PolarHBondContact O-N 3.31Å
67	V	98.6	Very high	96.9	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.9	178.7	-178.3	0	0	0	0	109.5	F39 L41 V53 F54 A56 V65 I69 A110 V112	F39-V67 HydrophobicContact CB-CG2 4.31Å; L41-V67 HydrophobicContact CD2-CB 4Å; L41-V67 HydrophobicContact CD2-CG1 4.23Å; L41-V67 HydrophobicContact CD2-CG2 4.14Å; V53-V67 WeakPolarHBondContact CA-O 3.03Å; F54-V67 PolarHBondContact N-O 2.89Å; F54-V67 PolarHBondContact O-N 3.34Å; A56-V67 HydrophobicContact CB-CB 4.5Å; A56-V67 HydrophobicContact CB-CG2 3.59Å; V65-V67 HydrophobicContact CG2-CG2 4.32Å; V67-I69 HydrophobicContact CG1-CG1 4.05Å; V67-A110 HydrophobicContact CG1-CB 3.87Å; V67-V112 HydrophobicContact CG2-CG2 4.37Å
68	K	98.4	Very high	96.8	Very high	14 Å²	14	69.7 Å²	69.7	6%	0.061	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	97.9	173.4	-176.2	-176	-174.3	-180	0	109	S51 E52 V53 L70 E81 A110 L111 F113 D175	S51-K68 WeakPolarHBondContact OG-CE 3.35Å; E52-K68 CarbonylContact O-C 3.55Å; V53-K68 HydrophobicContact CG2-CB 4.5Å; V53-K68 HydrophobicContact CG2-CG 4.2Å; K68-L70 HydrophobicContact CD-CD2 4.18Å; K68-L70 HydrophobicContact CG-CD2 4.13Å; K68-L70 PolarHBondContact O-N 2.9Å; K68-E81 IonicContact NZ-OE1 2.76Å; K68-E81 PolarHBondContact NZ-OE1 2.9Å; K68-E81 IonicContact NZ-OE2 3.48Å; K68-A110 VanDerWaalsContact O-CA 3.28Å; K68-A110 WeakPolarHBondContact O-CA 3.29Å; K68-L111 HydrophobicContact CB-CB 4.46Å; K68-L111 PolarHBondContact N-O 3.46Å; K68-L111 PolarHBondContact O-N 2.91Å; K68-F113 HydrophobicContact CB-CD2 4.35Å; K68-F113 HydrophobicContact CB-CE2 3.75Å; K68-F113 HydrophobicContact CD-CE2 4.08Å; K68-D175 IonicContact NZ-OD1 3.15Å; K68-D175 PolarHBondContact NZ-OD1 2.73Å
69	I	98.3	Very high	96.8	Very high	33 Å²	33	71.8 Å²	71.8	17%	0.169	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.1	174.3	-58.9	178.9	0	0	0	108.4	L41 S51 E52 F54 V67 T108 A110	L41-I69 HydrophobicContact CD1-CD1 4.17Å; S51-I69 CarbonylContact C-O 3.6Å; S51-I69 WeakPolarHBondContact CA-O 3.37Å; S51-I69 VanDerWaalsContact CB-O 3.27Å; S51-I69 WeakPolarHBondContact CB-O 3.2Å; E52-I69 PolarHBondContact N-O 3.37Å; E52-I69 PolarHBondContact O-N 2.85Å; F54-I69 HydrophobicContact CD2-CD1 4.01Å; F54-I69 HydrophobicContact CD2-CG1 4.33Å; F54-I69 HydrophobicContact CE2-CD1 3.79Å; F54-I69 HydrophobicContact CE2-CG1 4.36Å; V67-I69 HydrophobicContact CG1-CG1 4.05Å; I69-T108 HydrophobicContact CG2-CG2 3.74Å; I69-A110 HydrophobicContact CG1-CB 4.13Å
70	L	97.1	Very high	96.9	Very high	6 Å²	6	68.6 Å²	68.6	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.4	-176.9	-55.9	178.4	0	0	0	110	K68 I78 T108 P109 L111	K68-L70 HydrophobicContact CD-CD2 4.18Å; K68-L70 HydrophobicContact CG-CD2 4.13Å; K68-L70 PolarHBondContact O-N 2.9Å; L70-I78 HydrophobicContact CD1-CB 4.42Å; L70-I78 HydrophobicContact CD1-CD1 4.37Å; L70-I78 HydrophobicContact CD1-CG1 4.06Å; L70-I78 HydrophobicContact CD1-CG2 3.74Å; L70-T108 WeakPolarHBondContact O-CG2 3.24Å; L70-P109 HydrophobicContact CB-CG 4.27Å; L70-P109 WeakPolarHBondContact CB-O 3.32Å; L70-P109 HydrophobicContact CD1-CB 4.45Å; L70-P109 HydrophobicContact CD1-CG 4.37Å; L70-P109 PolarHBondContact N-O 3.45Å; L70-L111 HydrophobicContact CD1-CD1 4.44Å; L70-L111 HydrophobicContact CD1-CG 4.18Å; L70-L111 HydrophobicContact CD2-CD1 4.42Å
71	K	94.9	Very high	96.9	Very high	55 Å²	55	64.3 Å²	64.3	24%	0.239	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-65.4	161.3	171.3	-69.4	175.4	177.8	172.2	0	110	G48 K49 Y50 V73	G48-K71 PolarHBondContact O-NZ 3.17Å; K49-K71 WeakPolarHBondContact O-CD 3.3Å; Y50-K71 WeakPolarHBondContact O-CB 3.45Å; Y50-K71 PolarHBondContact O-N 2.82Å; K71-V73 PolarHBondContact O-N 2.94Å
72	P	94.5	Very high	97	Very high	141 Å²	141	60.8 Å²	60.8	92%	0.916	29%	0.293	S	S	*	.	S	Bend	trans	-52.1	109.6	176.9	-28.6	36	0	0	0	112.5
73	V	93.9	Very high	97.1	Very high	43 Å²	43	55.8 Å²	55.8	26%	0.261	27%	0.266	S	S	.	.			trans	-138.5	163.1	177.6	-66.5	0	0	0	0	109.9	Y50 K71 K75 I78	Y50-V73 HydrophobicContact CD1-CG1 3.67Å; Y50-V73 HydrophobicContact CE1-CG1 4.47Å; Y50-V73 HydrophobicContact CG-CG1 4.43Å; K71-V73 PolarHBondContact O-N 2.94Å; V73-K75 PolarHBondContact O-N 3.46Å; V73-I78 HydrophobicContact CG2-CD1 3.87Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å
74	K	94.1	Very high	97.2	Very high	178 Å²	178	50.4 Å²	50.4	77%	0.774	24%	0.241	S	C	*	.			trans	-57.5	132.6	177.7	-66.2	-174.4	177.3	-175.3	0	110.5	K76 K77 I78	K74-K76 PolarHBondContact O-N 3.08Å; K74-K76 VanDerWaalsContact O-N 3.13Å; K74-K77 WeakPolarHBondContact O-CB 3.39Å; K74-K77 PolarHBondContact O-N 2.85Å; K74-I78 PolarHBondContact O-N 3.28Å
75	K	94.5	Very high	97.2	Very high	172 Å²	172	44.9 Å²	44.9	75%	0.748	22%	0.217	S	C	*	.	H	α-helix	trans	-50.6	-39.1	177.4	-69.7	-177.9	178.4	177.2	0	112.9	V73 K77 I78 K79	V73-K75 PolarHBondContact O-N 3.46Å; K75-K77 VanDerWaalsContact C-N 3.25Å; K75-K77 PolarHBondContact O-N 3.29Å; K75-I78 PolarHBondContact O-N 3Å; K75-I78 VanDerWaalsContact O-N 3.09Å; K75-K79 PolarHBondContact O-N 2.77Å
76	K	95.8	Very high	97.2	Very high	95 Å²	95	48.2 Å²	48.2	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-51.4	-41.8	174.4	179.7	173	174.3	165	0	112.8	Y26 E27 K74 R80	Y26-K76 HydrophobicContact CD2-CG 4.41Å; Y26-K76 HydrophobicContact CE2-CD 4.26Å; Y26-K76 HydrophobicContact CE2-CG 3.65Å; Y26-K76 WeakPolarHBondContact OH-CE 3.2Å; E27-K76 HydrophobicContact CG-CD 4.09Å; E27-K76 HydrophobicContact CG-CG 4.07Å; E27-K76 WeakPolarHBondContact OE1-CE 3.19Å; E27-K76 IonicContact OE1-NZ 3.73Å; E27-K76 PolarHBondContact OE1-NZ 3.46Å; K74-K76 PolarHBondContact O-N 3.08Å; K74-K76 VanDerWaalsContact O-N 3.13Å; K76-R80 WeakPolarHBondContact O-CB 3.35Å; K76-R80 PolarHBondContact O-N 3.46Å
77	K	96.2	Very high	97.2	Very high	37 Å²	37	48.3 Å²	48.3	16%	0.161	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-38.7	179.6	-173.9	175.5	177.4	179.6	0	111.9	K74 K75 R80 E81 G177	K74-K77 WeakPolarHBondContact O-CB 3.39Å; K74-K77 PolarHBondContact O-N 2.85Å; K75-K77 VanDerWaalsContact C-N 3.25Å; K75-K77 PolarHBondContact O-N 3.29Å; K77-R80 PolarHBondContact O-N 3.47Å; K77-E81 PolarHBondContact O-N 3.39Å; K77-G177 WeakPolarHBondContact CE-O 3.47Å
78	I	97.3	Very high	97.2	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.087	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-49.4	177.9	-56.7	175.3	0	0	0	109.9	W33 L70 V73 K74 K75 R80 E81 I82 P109	W33-I78 HydrophobicContact CH2-CG2 4.2Å; L70-I78 HydrophobicContact CD1-CB 4.42Å; L70-I78 HydrophobicContact CD1-CD1 4.37Å; L70-I78 HydrophobicContact CD1-CG1 4.06Å; L70-I78 HydrophobicContact CD1-CG2 3.74Å; V73-I78 HydrophobicContact CG2-CD1 3.87Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å; K74-I78 PolarHBondContact O-N 3.28Å; K75-I78 PolarHBondContact O-N 3Å; K75-I78 VanDerWaalsContact O-N 3.09Å; I78-R80 VanDerWaalsContact C-N 3.29Å; I78-R80 PolarHBondContact O-N 3.29Å; I78-E81 PolarHBondContact O-N 2.75Å; I78-I82 HydrophobicContact CG2-CD1 3.78Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 2.98Å; I78-P109 HydrophobicContact CD1-CG 3.82Å
79	K	98.4	Very high	97.2	Very high	60 Å²	60	54.8 Å²	54.8	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-59.7	-39.6	177.2	-67	-168.4	177.4	-162.5	0	112.3	Y26 E27 H29 V31 K75 K83	Y26-K79 VanDerWaalsContact O-CB 3.24Å; Y26-K79 WeakPolarHBondContact O-CB 3.42Å; Y26-K79 VanDerWaalsContact O-CD 3.28Å; Y26-K79 WeakPolarHBondContact O-CD 3.28Å; E27-K79 PolarHBondContact O-NZ 2.65Å; H29-K79 WeakPolarHBondContact O-CD 3.41Å; H29-K79 VanDerWaalsContact O-CE 3.23Å; H29-K79 WeakPolarHBondContact O-CE 3.4Å; H29-K79 PolarHBondContact O-NZ 2.98Å; V31-K79 HydrophobicContact CG2-CG 4.44Å; K75-K79 PolarHBondContact O-N 2.77Å; K79-K83 VanDerWaalsContact O-CB 3.23Å; K79-K83 WeakPolarHBondContact O-CB 3.26Å; K79-K83 PolarHBondContact O-N 3.3Å
80	R	98.7	Very high	97.2	Very high	30 Å²	30	56.8 Å²	56.8	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-49.9	175.7	-171.8	-179	63.6	-164.4	5	112.1	Y26 K76 K77 I78 K83 I84 G177 A179 E180	Y26-R80 HydrophobicContact CD1-CB 4.23Å; Y26-R80 HydrophobicContact CD1-CG 3.91Å; Y26-R80 HydrophobicContact CD2-CB 3.6Å; Y26-R80 HydrophobicContact CD2-CG 4.16Å; Y26-R80 HydrophobicContact CE1-CB 4.34Å; Y26-R80 HydrophobicContact CE1-CG 3.84Å; Y26-R80 HydrophobicContact CE2-CB 3.71Å; Y26-R80 HydrophobicContact CE2-CG 4.08Å; Y26-R80 HydrophobicContact CG-CB 3.87Å; Y26-R80 HydrophobicContact CG-CG 4.07Å; K76-R80 WeakPolarHBondContact O-CB 3.35Å; K76-R80 PolarHBondContact O-N 3.46Å; K77-R80 PolarHBondContact O-N 3.47Å; I78-R80 VanDerWaalsContact C-N 3.29Å; I78-R80 PolarHBondContact O-N 3.29Å; R80-K83 PolarHBondContact O-N 3Å; R80-I84 HydrophobicContact CG-CD1 3.87Å; R80-I84 WeakPolarHBondContact O-CB 3.34Å; R80-I84 WeakPolarHBondContact O-CG1 3.39Å; R80-I84 PolarHBondContact O-N 2.91Å; R80-G177 PolarHBondContact NH2-O 3.12Å; R80-A179 WeakPolarHBondContact CD-O 3.45Å; R80-A179 PolarHBondContact NE-O 3.26Å; R80-A179 VanDerWaalsContact NE-O 3.08Å; R80-E180 VanDerWaalsContact CD-CD 3.47Å; R80-E180 WeakPolarHBondContact CD-OE1 3.45Å; R80-E180 VanDerWaalsContact CD-OE2 3.29Å; R80-E180 WeakPolarHBondContact CD-OE2 3.31Å; R80-E180 IonicContact CZ-OE2 2.97Å; R80-E180 IonicContact NE-OE2 3.74Å; R80-E180 IonicContact NH1-OE2 2.89Å; R80-E180 PolarHBondContact NH1-OE2 3.04Å
81	E	98.6	Very high	97.2	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-45.3	179.7	-176.4	170.6	179	0	0	111.4	K68 K77 I78 L85 L111 G177	K68-E81 IonicContact NZ-OE1 2.76Å; K68-E81 PolarHBondContact NZ-OE1 2.9Å; K68-E81 IonicContact NZ-OE2 3.48Å; K77-E81 PolarHBondContact O-N 3.39Å; I78-E81 PolarHBondContact O-N 2.75Å; E81-L85 HydrophobicContact CG-CD1 3.92Å; E81-L85 WeakPolarHBondContact O-CB 3.46Å; E81-L85 WeakPolarHBondContact O-CD1 3.36Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.07Å; E81-L111 HydrophobicContact CG-CD1 3.98Å; E81-G177 VanDerWaalsContact CD-CA 3.45Å; E81-G177 WeakPolarHBondContact OE2-CA 3.38Å
82	I	98.7	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-54.1	174.7	-71.6	166.6	0	0	0	110.7	V31 W33 I78 I84 L85 E86 I100 L111	V31-I82 HydrophobicContact CG1-CD1 3.89Å; V31-I82 HydrophobicContact CG2-CD1 3.8Å; V31-I82 HydrophobicContact CG2-CG2 4.36Å; W33-I82 HydrophobicContact CH2-CD1 4.28Å; I78-I82 HydrophobicContact CG2-CD1 3.78Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 2.98Å; I82-I84 VanDerWaalsContact C-N 3.29Å; I82-I84 PolarHBondContact O-N 2.85Å; I82-L85 PolarHBondContact O-N 3.26Å; I82-L85 VanDerWaalsContact O-N 3.08Å; I82-E86 HydrophobicContact CG2-CG 4.24Å; I82-E86 WeakPolarHBondContact O-CG 3.27Å; I82-E86 PolarHBondContact O-N 2.97Å; I82-I100 HydrophobicContact CB-CD1 4.48Å; I82-I100 HydrophobicContact CD1-CD1 4.35Å; I82-I100 HydrophobicContact CD1-CG2 3.8Å; I82-I100 HydrophobicContact CG1-CD1 4.24Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.43Å; I82-I100 HydrophobicContact CG2-CD1 3.48Å; I82-I100 VanDerWaalsContact CG2-CD1 3.48Å; I82-L111 HydrophobicContact CD1-CD2 4.14Å; I82-L111 HydrophobicContact CG1-CD2 3.68Å
83	K	98.8	Very high	97.6	Very high	27 Å²	27	51.3 Å²	51.3	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-38.2	-174.1	-174.3	53	173.9	166	0	112.4	E22 Y23 K79 R80 N87 F181	E22-K83 WeakPolarHBondContact O-CE 3.41Å; E22-K83 PolarHBondContact O-NZ 3.25Å; Y23-K83 WeakPolarHBondContact O-CE 3.46Å; K79-K83 VanDerWaalsContact O-CB 3.23Å; K79-K83 WeakPolarHBondContact O-CB 3.26Å; K79-K83 PolarHBondContact O-N 3.3Å; R80-K83 PolarHBondContact O-N 3Å; K83-N87 WeakPolarHBondContact CE-OD1 3.46Å; K83-N87 PolarHBondContact NZ-OD1 3.23Å; K83-N87 WeakPolarHBondContact O-CB 3.4Å; K83-N87 PolarHBondContact O-N 2.87Å; K83-N87 PolarHBondContact O-OD1 3.31Å; K83-F181 HydrophobicContact CG-CE2 4.45Å; K83-F181 HydrophobicContact CG-CZ 4.16Å
84	I	98.9	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-47.8	173.9	-75.7	174.3	0	0	0	110.8	R80 I82 E86 N87 L88 I152 W176 A179 F181	R80-I84 HydrophobicContact CG-CD1 3.87Å; R80-I84 WeakPolarHBondContact O-CB 3.34Å; R80-I84 WeakPolarHBondContact O-CG1 3.39Å; R80-I84 PolarHBondContact O-N 2.91Å; I82-I84 VanDerWaalsContact C-N 3.29Å; I82-I84 PolarHBondContact O-N 2.85Å; I84-E86 VanDerWaalsContact C-N 3.35Å; I84-E86 PolarHBondContact O-N 2.65Å; I84-N87 PolarHBondContact O-N 3.13Å; I84-L88 HydrophobicContact CG2-CD1 3.76Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CB 3.44Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.49Å; I84-I152 HydrophobicContact CB-CD1 4.49Å; I84-I152 HydrophobicContact CD1-CG2 4.18Å; I84-I152 HydrophobicContact CG1-CD1 4.24Å; I84-I152 HydrophobicContact CG1-CG1 4.39Å; I84-I152 HydrophobicContact CG1-CG2 4.32Å; I84-I152 HydrophobicContact CG2-CD1 4.23Å; I84-I152 HydrophobicContact CG2-CG2 3.88Å; I84-W176 HydrophobicContact CG2-CB 4.08Å; I84-W176 HydrophobicContact CG2-CD2 4.28Å; I84-W176 HydrophobicContact CG2-CE3 3.86Å; I84-W176 HydrophobicContact CG2-CG 4.39Å; I84-A179 HydrophobicContact CD1-CB 3.66Å; I84-A179 HydrophobicContact CG2-CB 4.18Å; I84-F181 HydrophobicContact CD1-CD2 4.42Å; I84-F181 HydrophobicContact CD1-CE2 4.14Å; I84-F181 HydrophobicContact CG1-CD2 4.24Å; I84-F181 HydrophobicContact CG1-CE1 4.48Å; I84-F181 HydrophobicContact CG1-CE2 3.53Å; I84-F181 HydrophobicContact CG1-CZ 3.68Å
85	L	98.8	Very high	98	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-39.7	179.4	-76.2	166.2	0	0	0	112.5	E81 I82 L88 R89 I95 L97 L111 F113 W176	E81-L85 HydrophobicContact CG-CD1 3.92Å; E81-L85 WeakPolarHBondContact O-CB 3.46Å; E81-L85 WeakPolarHBondContact O-CD1 3.36Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.07Å; I82-L85 PolarHBondContact O-N 3.26Å; I82-L85 VanDerWaalsContact O-N 3.08Å; L85-L88 PolarHBondContact O-N 2.88Å; L85-R89 PolarHBondContact O-N 3.05Å; L85-I95 HydrophobicContact CD2-CG2 4.09Å; L85-L97 HydrophobicContact CB-CB 4.04Å; L85-L97 HydrophobicContact CB-CD2 3.88Å; L85-L97 HydrophobicContact CD1-CD1 4.31Å; L85-L97 HydrophobicContact CD1-CD2 4.38Å; L85-L111 HydrophobicContact CD1-CD1 4.02Å; L85-F113 HydrophobicContact CD1-CE1 3.68Å; L85-F113 HydrophobicContact CD1-CZ 3.86Å; L85-F113 HydrophobicContact CD2-CE1 3.99Å; L85-F113 HydrophobicContact CG-CE1 4.49Å; L85-W176 HydrophobicContact CD2-CB 4.2Å; L85-W176 VanDerWaalsContact CD2-CD1 3.48Å; L85-W176 HydrophobicContact CD2-CG 3.96Å; L85-W176 HydrophobicContact CG-CB 4.31Å
86	E	98.6	Very high	98.2	Very high	72 Å²	72	34.7 Å²	34.7	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-61.5	-49.1	173.3	-72.9	179.6	165.8	0	0	111.5	H29 I82 I84 L88 R89 L97	H29-E86 IonicContact CE1-OE1 2.85Å; H29-E86 IonicContact CE1-OE2 2.94Å; H29-E86 PolarHBondContact CE1-OE2 3Å; H29-E86 IonicContact NE2-OE1 3.94Å; H29-E86 IonicContact NE2-OE2 3.11Å; H29-E86 PolarHBondContact NE2-OE2 3.22Å; I82-E86 HydrophobicContact CG2-CG 4.24Å; I82-E86 WeakPolarHBondContact O-CG 3.27Å; I82-E86 PolarHBondContact O-N 2.97Å; I84-E86 VanDerWaalsContact C-N 3.35Å; I84-E86 PolarHBondContact O-N 2.65Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 2.87Å; E86-R89 WeakPolarHBondContact O-CB 3.29Å; E86-R89 PolarHBondContact O-N 2.93Å; E86-L97 HydrophobicContact CG-CD2 4.45Å
87	N	98.8	Very high	98.3	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.123	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-30.4	-179.2	-71.1	-4.3	0	0	0	112.5	Y23 K83 I84 M150 I152 F181	Y23-N87 HydrophobicContact CE2-CB 3.95Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.47Å; Y23-N87 PolarHBondContact O-ND2 3.36Å; K83-N87 WeakPolarHBondContact CE-OD1 3.46Å; K83-N87 PolarHBondContact NZ-OD1 3.23Å; K83-N87 WeakPolarHBondContact O-CB 3.4Å; K83-N87 PolarHBondContact O-N 2.87Å; K83-N87 PolarHBondContact O-OD1 3.31Å; I84-N87 PolarHBondContact O-N 3.13Å; N87-M150 WeakPolarHBondContact O-CE 3.26Å; N87-I152 HydrophobicContact CB-CD1 4.34Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.38Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.49Å
88	L	98.8	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-92.5	-3.7	179.7	-62.8	178.1	0	0	0	114	I84 L85 E86 G90 G91 V94 Y146 M150 I152 W176	I84-L88 HydrophobicContact CG2-CD1 3.76Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CB 3.44Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.49Å; L85-L88 PolarHBondContact O-N 2.88Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 2.87Å; L88-G90 PolarHBondContact O-N 3.34Å; L88-G91 PolarHBondContact O-N 2.96Å; L88-V94 HydrophobicContact CB-CG1 3.94Å; L88-Y146 HydrophobicContact CB-CE1 4.34Å; L88-Y146 HydrophobicContact CD2-CD1 4.11Å; L88-Y146 HydrophobicContact CD2-CE1 3.87Å; L88-M150 HydrophobicContact CD2-CB 3.7Å; L88-M150 HydrophobicContact CD2-CG 4.08Å; L88-I152 HydrophobicContact CD1-CD1 4.15Å; L88-I152 HydrophobicContact CD1-CG2 4.26Å; L88-I152 HydrophobicContact CD2-CD1 3.78Å; L88-I152 HydrophobicContact CG-CD1 3.78Å; L88-W176 HydrophobicContact CD1-CD2 3.94Å; L88-W176 HydrophobicContact CD1-CE3 3.53Å; L88-W176 HydrophobicContact CD1-CH2 3.53Å; L88-W176 HydrophobicContact CD1-CZ2 3.91Å; L88-W176 HydrophobicContact CD1-CZ3 3.32Å
89	R	97.9	Very high	98.5	Very high	151 Å²	151	33.3 Å²	33.3	57%	0.57	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.2	-178.2	-172	177.9	-179.3	-179.1	2.7	110.9	L85 E86 G91	L85-R89 PolarHBondContact O-N 3.05Å; E86-R89 WeakPolarHBondContact O-CB 3.29Å; E86-R89 PolarHBondContact O-N 2.93Å; R89-G91 PolarHBondContact O-N 2.87Å
90	G	97.5	Very high	98.5	Very high	75 Å²	75	31 Å²	31	77%	0.773	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	-2.8	-176.2	0	0	0	0	0	114.5	L88	L88-G90 PolarHBondContact O-N 3.34Å
91	G	98.4	Very high	98.5	Very high	8 Å²	8	29.6 Å²	29.6	8%	0.082	17%	0.17	C	C	.	.			trans	-64.1	148.6	173.5	0	0	0	0	0	113.5	L88 R89 N93 V94 Y146	L88-G91 PolarHBondContact O-N 2.96Å; R89-G91 PolarHBondContact O-N 2.87Å; G91-N93 PolarHBondContact O-N 3.23Å; G91-V94 PolarHBondContact O-N 2.64Å; G91-Y146 VanDerWaalsContact CA-CZ 3.48Å
92	P	98.5	Very high	98.4	Very high	57 Å²	57	31.1 Å²	31.1	37%	0.37	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125.3	177.4	26.8	-35.3	0	0	0	110.5	V94 K142 A143 Y146	P92-V94 PolarHBondContact O-N 2.68Å; P92-K142 HydrophobicContact CB-CB 4.35Å; P92-K142 HydrophobicContact CG-CB 4.5Å; P92-A143 WeakPolarHBondContact O-CA 3.47Å; P92-Y146 HydrophobicContact CG-CD2 4.38Å; P92-Y146 HydrophobicContact CG-CG 4.1Å
93	N	98.5	Very high	98.4	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.112	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	19.3	176.4	-56.4	-32.5	0	0	0	115	G91 E139 A143 L171 R172 L173	G91-N93 PolarHBondContact O-N 3.23Å; N93-E139 PolarHBondContact ND2-O 2.73Å; N93-E139 PolarHBondContact ND2-OE2 3.3Å; N93-A143 HydrophobicContact CB-CB 4.12Å; N93-L171 HydrophobicContact CB-CD2 4.07Å; N93-L171 PolarHBondContact OD1-O 3.33Å; N93-R172 CarbonylContact O-C 3.27Å; N93-R172 WeakPolarHBondContact O-CA 3.13Å; N93-L173 PolarHBondContact O-N 2.78Å
94	V	98.6	Very high	98.3	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.042	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-91.7	135.9	168.3	-180	0	0	0	0	108.7	L88 G91 P92 S96 A143 Y146 W176	L88-V94 HydrophobicContact CB-CG1 3.94Å; G91-V94 PolarHBondContact O-N 2.64Å; P92-V94 PolarHBondContact O-N 2.68Å; V94-S96 PolarHBondContact O-N 3.1Å; V94-A143 HydrophobicContact CG2-CB 4.46Å; V94-Y146 HydrophobicContact CG2-CD1 4.12Å; V94-W176 HydrophobicContact CB-CZ2 4.47Å; V94-W176 HydrophobicContact CG1-CZ2 3.81Å; V94-W176 HydrophobicContact CG2-CZ2 4.05Å
95	I	98.4	Very high	98.2	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-59.5	130.4	175.2	-168.5	70.9	0	0	0	111.9	L85 L97 F113 E114 V116 R172 L173 I174	L85-I95 HydrophobicContact CD2-CG2 4.09Å; I95-L97 PolarHBondContact O-N 3.35Å; I95-F113 HydrophobicContact CD1-CB 4.49Å; I95-F113 HydrophobicContact CG1-CB 4.07Å; I95-F113 HydrophobicContact CG1-CD1 3.77Å; I95-F113 HydrophobicContact CG1-CG 4.19Å; I95-F113 HydrophobicContact CG2-CD1 4.17Å; I95-F113 HydrophobicContact CG2-CE1 4.24Å; I95-E114 HydrophobicContact CD1-CG 3.56Å; I95-E114 HydrophobicContact CG1-CG 4.4Å; I95-V116 HydrophobicContact CD1-CG2 3.43Å; I95-V116 VanDerWaalsContact CD1-CG2 3.43Å; I95-R172 HydrophobicContact CD1-CB 4.29Å; I95-R172 HydrophobicContact CD1-CG 4.27Å; I95-L173 PolarHBondContact N-O 2.98Å; I95-I174 HydrophobicContact CB-CG2 3.95Å; I95-I174 HydrophobicContact CD1-CG2 4.18Å; I95-I174 HydrophobicContact CG1-CG2 4.17Å; I95-I174 HydrophobicContact CG2-CB 4.44Å; I95-I174 HydrophobicContact CG2-CG2 4.3Å
96	S	97.9	Very high	98.1	Very high	29 Å²	29	43.8 Å²	43.8	20%	0.203	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-80	121.7	177.1	-172.1	0	0	0	0	111.6	V94 F113 E114	V94-S96 PolarHBondContact O-N 3.1Å; S96-F113 WeakPolarHBondContact O-CA 3.47Å; S96-E114 PolarHBondContact N-OE1 3.02Å; S96-E114 PolarHBondContact O-N 3.08Å; S96-E114 VanDerWaalsContact O-N 3.08Å
97	L	98.5	Very high	98	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.8	162.8	-178.1	70	0	0	0	108.6	L85 E86 I95 I100 L111 V112 F113	L85-L97 HydrophobicContact CB-CB 4.04Å; L85-L97 HydrophobicContact CB-CD2 3.88Å; L85-L97 HydrophobicContact CD1-CD1 4.31Å; L85-L97 HydrophobicContact CD1-CD2 4.38Å; E86-L97 HydrophobicContact CG-CD2 4.45Å; I95-L97 PolarHBondContact O-N 3.35Å; L97-I100 HydrophobicContact CD1-CG1 4.39Å; L97-I100 HydrophobicContact CD2-CD1 4.04Å; L97-I100 HydrophobicContact CD2-CG1 3.86Å; L97-I100 HydrophobicContact CG-CG1 4.39Å; L97-L111 HydrophobicContact CD1-CB 3.93Å; L97-L111 HydrophobicContact CD1-CD2 4.34Å; L97-V112 WeakPolarHBondContact CD1-O 3.28Å; L97-F113 HydrophobicContact CB-CE1 4.4Å; L97-F113 HydrophobicContact CD1-CD1 4.33Å; L97-F113 HydrophobicContact CD1-CE1 3.96Å; L97-F113 HydrophobicContact CD1-CZ 4.23Å
98	V	98	Very high	98	Very high	58 Å²	58	48.7 Å²	48.7	35%	0.352	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-48.4	-179.1	174.1	0	0	0	0	110.1	V112	V98-V112 HydrophobicContact CB-CG1 4.33Å; V98-V112 PolarHBondContact N-O 3.47Å
99	D	98.3	Very high	97.9	Very high	54 Å²	54	49.7 Å²	49.7	29%	0.289	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162.5	-176	-158.7	1.1	0	0	0	112.2	F39 V101 V112	F39-D99 HydrophobicContact CZ-CB 4.18Å; D99-V101 HydrophobicContact CB-CG1 4.41Å; D99-V112 HydrophobicContact CB-CB 4Å; D99-V112 HydrophobicContact CB-CG2 4.16Å; D99-V112 PolarHBondContact N-O 3.47Å; D99-V112 PolarHBondContact O-N 2.88Å
100	I	98.5	Very high	98	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109	179.6	-54.3	160.2	0	0	0	108	V31 W33 G34 I82 L97 L111	V31-I100 HydrophobicContact CG1-CB 4.41Å; V31-I100 HydrophobicContact CG1-CD1 4.22Å; V31-I100 HydrophobicContact CG1-CG2 3.65Å; W33-I100 WeakPolarHBondContact CA-O 3.46Å; W33-I100 HydrophobicContact CD2-CG2 4.44Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.13Å; W33-I100 HydrophobicContact CZ3-CG2 3.48Å; W33-I100 VanDerWaalsContact CZ3-CG2 3.48Å; G34-I100 PolarHBondContact N-O 3.27Å; I82-I100 HydrophobicContact CB-CD1 4.48Å; I82-I100 HydrophobicContact CD1-CD1 4.35Å; I82-I100 HydrophobicContact CD1-CG2 3.8Å; I82-I100 HydrophobicContact CG1-CD1 4.24Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.43Å; I82-I100 HydrophobicContact CG2-CD1 3.48Å; I82-I100 VanDerWaalsContact CG2-CD1 3.48Å; L97-I100 HydrophobicContact CD1-CG1 4.39Å; L97-I100 HydrophobicContact CD2-CD1 4.04Å; L97-I100 HydrophobicContact CD2-CG1 3.86Å; L97-I100 HydrophobicContact CG-CG1 4.39Å; I100-L111 HydrophobicContact CG1-CD2 4.34Å; I100-L111 HydrophobicContact CG2-CD2 4.09Å
101	V	98.6	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.5	-169.5	-58.9	0	0	0	0	112.8	G34 Q36 F39 D99 P109 A110 V112	G34-V101 WeakPolarHBondContact O-CA 3.48Å; Q36-V101 HydrophobicContact CB-CB 4.13Å; Q36-V101 HydrophobicContact CB-CG2 3.82Å; Q36-V101 HydrophobicContact CG-CG2 3.89Å; F39-V101 HydrophobicContact CD2-CG1 4.17Å; F39-V101 HydrophobicContact CE2-CG1 3.7Å; D99-V101 HydrophobicContact CB-CG1 4.41Å; V101-P109 WeakPolarHBondContact O-CA 3.43Å; V101-A110 HydrophobicContact CG2-CB 3.88Å; V101-A110 PolarHBondContact N-O 2.99Å; V101-A110 PolarHBondContact O-N 2.99Å; V101-V112 HydrophobicContact CG1-CG2 4.22Å; V101-V112 HydrophobicContact CG2-CG2 4.02Å
102	K	98.2	Very high	98	Very high	41 Å²	41	38.5 Å²	38.5	18%	0.178	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.5	166.2	-90.7	168.7	-177.9	161.7	0	110.5	W33 G34 Q36 T108 P109	W33-K102 HydrophobicContact CB-CD 4.31Å; W33-K102 HydrophobicContact CD2-CD 3.58Å; W33-K102 HydrophobicContact CD2-CG 3.93Å; W33-K102 HydrophobicContact CE3-CB 4.36Å; W33-K102 HydrophobicContact CE3-CD 3.72Å; W33-K102 HydrophobicContact CE3-CG 3.5Å; W33-K102 HydrophobicContact CG-CD 3.83Å; W33-K102 HydrophobicContact CG-CG 4.43Å; W33-K102 HydrophobicContact CZ3-CD 4.31Å; W33-K102 HydrophobicContact CZ3-CG 3.94Å; W33-K102 VanDerWaalsContact NE1-NZ 3.12Å; G34-K102 PolarHBondContact O-N 2.83Å; Q36-K102 WeakPolarHBondContact CB-O 3.21Å; Q36-K102 PolarHBondContact N-O 2.86Å; K102-T108 WeakPolarHBondContact CA-O 3.39Å; K102-P109 HydrophobicContact CG-CB 4.24Å
103	D	97.8	Very high	98	Very high	37 Å²	37	36.6 Å²	36.6	20%	0.198	20%	0.202	C	C	.	.			trans	-59.6	126.6	164.4	-179.2	-99.3	0	0	0	109.7	V105 S106 R107 T108	D103-V105 PolarHBondContact O-N 3.43Å; D103-V105 PolarHBondContact OD1-N 3.24Å; D103-S106 WeakPolarHBondContact CB-OG 3.43Å; D103-S106 VanDerWaalsContact CG-OG 3.22Å; D103-S106 WeakPolarHBondContact OD1-CA 3.42Å; D103-S106 VanDerWaalsContact OD1-CB 3.25Å; D103-S106 WeakPolarHBondContact OD1-CB 3.25Å; D103-S106 PolarHBondContact OD1-N 2.98Å; D103-S106 PolarHBondContact OD1-OG 3.39Å; D103-R107 WeakPolarHBondContact O-CA 3.48Å; D103-R107 PolarHBondContact O-N 2.9Å; D103-T108 PolarHBondContact N-O 2.7Å
104	P	96.8	Very high	98	Very high	55 Å²	55	38 Å²	38	36%	0.357	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.8	-172.7	23.3	-32.2	0	0	0	112.7	D37	D37-P104 WeakPolarHBondContact OD2-CG 3.32Å
105	V	97.1	Very high	97.9	Very high	134 Å²	134	40.1 Å²	40.1	81%	0.812	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-61.4	-175.9	-177.7	0	0	0	0	111.6	D103 R107	D103-V105 PolarHBondContact O-N 3.43Å; D103-V105 PolarHBondContact OD1-N 3.24Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 3.32Å
106	S	96.7	Very high	97.6	Very high	69 Å²	69	41 Å²	41	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.2	-177	70.4	0	0	0	0	113.6	D103 T108	D103-S106 WeakPolarHBondContact CB-OG 3.43Å; D103-S106 VanDerWaalsContact CG-OG 3.22Å; D103-S106 WeakPolarHBondContact OD1-CA 3.42Å; D103-S106 VanDerWaalsContact OD1-CB 3.25Å; D103-S106 WeakPolarHBondContact OD1-CB 3.25Å; D103-S106 PolarHBondContact OD1-N 2.98Å; D103-S106 PolarHBondContact OD1-OG 3.39Å; S106-T108 PolarHBondContact O-N 2.98Å; S106-T108 VanDerWaalsContact O-N 3.16Å; S106-T108 WeakPolarHBondContact OG-CB 3.46Å; S106-T108 PolarHBondContact OG-N 3.3Å; S106-T108 PolarHBondContact OG-OG1 2.88Å
107	R	96.6	Very high	97.2	Very high	151 Å²	151	43.6 Å²	43.6	57%	0.57	23%	0.234	S	C	*	.			trans	60.5	18.1	-174.9	-51.9	-64.8	-68.6	166.1	-3.7	113.5	D103 V105	D103-R107 WeakPolarHBondContact O-CA 3.48Å; D103-R107 PolarHBondContact O-N 2.9Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 3.32Å
108	T	97.5	Very high	96.8	Very high	46 Å²	46	46.8 Å²	46.8	28%	0.282	25%	0.251	S	S	.	.			trans	-69.9	126.2	177.9	-55.2	0	0	0	0	109.4	I69 L70 K102 D103 S106	I69-T108 HydrophobicContact CG2-CG2 3.74Å; L70-T108 WeakPolarHBondContact O-CG2 3.24Å; K102-T108 WeakPolarHBondContact CA-O 3.39Å; D103-T108 PolarHBondContact N-O 2.7Å; S106-T108 PolarHBondContact O-N 2.98Å; S106-T108 VanDerWaalsContact O-N 3.16Å; S106-T108 WeakPolarHBondContact OG-CB 3.46Å; S106-T108 PolarHBondContact OG-N 3.3Å; S106-T108 PolarHBondContact OG-OG1 2.88Å
109	P	98.1	Very high	96.3	Very high	21 Å²	21	46.4 Å²	46.4	14%	0.136	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.1	179.3	29.4	-29.7	0	0	0	111.9	W33 L70 I78 V101 K102	W33-P109 HydrophobicContact CE3-CB 4.41Å; W33-P109 HydrophobicContact CH2-CB 3.49Å; W33-P109 VanDerWaalsContact CH2-CB 3.49Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å; L70-P109 HydrophobicContact CB-CG 4.27Å; L70-P109 WeakPolarHBondContact CB-O 3.32Å; L70-P109 HydrophobicContact CD1-CB 4.45Å; L70-P109 HydrophobicContact CD1-CG 4.37Å; L70-P109 PolarHBondContact N-O 3.45Å; I78-P109 HydrophobicContact CD1-CG 3.82Å; V101-P109 WeakPolarHBondContact O-CA 3.43Å; K102-P109 HydrophobicContact CG-CB 4.24Å
110	A	98.6	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.6	172.9	0	0	0	0	0	111.2	V67 K68 I69 V101	V67-A110 HydrophobicContact CG1-CB 3.87Å; K68-A110 VanDerWaalsContact O-CA 3.28Å; K68-A110 WeakPolarHBondContact O-CA 3.29Å; I69-A110 HydrophobicContact CG1-CB 4.13Å; V101-A110 HydrophobicContact CG2-CB 3.88Å; V101-A110 PolarHBondContact N-O 2.99Å; V101-A110 PolarHBondContact O-N 2.99Å
111	L	98.7	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.4	174.6	-54.8	-179.2	0	0	0	108.7	K68 L70 E81 I82 L85 L97 I100 F113	K68-L111 HydrophobicContact CB-CB 4.46Å; K68-L111 PolarHBondContact N-O 3.46Å; K68-L111 PolarHBondContact O-N 2.91Å; L70-L111 HydrophobicContact CD1-CD1 4.44Å; L70-L111 HydrophobicContact CD1-CG 4.18Å; L70-L111 HydrophobicContact CD2-CD1 4.42Å; E81-L111 HydrophobicContact CG-CD1 3.98Å; I82-L111 HydrophobicContact CD1-CD2 4.14Å; I82-L111 HydrophobicContact CG1-CD2 3.68Å; L85-L111 HydrophobicContact CD1-CD1 4.02Å; L97-L111 HydrophobicContact CD1-CB 3.93Å; L97-L111 HydrophobicContact CD1-CD2 4.34Å; I100-L111 HydrophobicContact CG1-CD2 4.34Å; I100-L111 HydrophobicContact CG2-CD2 4.09Å; L111-F113 HydrophobicContact CB-CD2 4.41Å; L111-F113 HydrophobicContact CB-CE2 3.5Å; L111-F113 VanDerWaalsContact CB-CE2 3.5Å; L111-F113 HydrophobicContact CB-CZ 3.65Å; L111-F113 HydrophobicContact CD1-CE2 4.49Å; L111-F113 HydrophobicContact CD1-CZ 3.98Å; L111-F113 HydrophobicContact CG-CZ 4.48Å
112	V	98.7	Very high	93.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.9	-179.9	-172.7	0	0	0	0	109	F39 V65 V66 V67 L97 V98 D99 V101	F39-V112 HydrophobicContact CD1-CG1 4.1Å; F39-V112 HydrophobicContact CD2-CG2 4.21Å; F39-V112 HydrophobicContact CE1-CB 4.5Å; F39-V112 HydrophobicContact CE1-CG1 3.63Å; F39-V112 HydrophobicContact CE1-CG2 4.3Å; F39-V112 HydrophobicContact CE2-CG2 3.97Å; F39-V112 HydrophobicContact CG-CG2 4.49Å; F39-V112 HydrophobicContact CZ-CB 4.4Å; F39-V112 HydrophobicContact CZ-CG1 3.98Å; F39-V112 HydrophobicContact CZ-CG2 4Å; V65-V112 HydrophobicContact CB-CG1 3.79Å; V65-V112 HydrophobicContact CG1-CG1 4.15Å; V65-V112 HydrophobicContact CG2-CG1 3.82Å; V66-V112 CarbonylContact O-C 3.54Å; V66-V112 WeakPolarHBondContact O-CA 3.36Å; V67-V112 HydrophobicContact CG2-CG2 4.37Å; L97-V112 WeakPolarHBondContact CD1-O 3.28Å; V98-V112 HydrophobicContact CB-CG1 4.33Å; V98-V112 PolarHBondContact N-O 3.47Å; D99-V112 HydrophobicContact CB-CB 4Å; D99-V112 HydrophobicContact CB-CG2 4.16Å; D99-V112 PolarHBondContact N-O 3.47Å; D99-V112 PolarHBondContact O-N 2.88Å; V101-V112 HydrophobicContact CG1-CG2 4.22Å; V101-V112 HydrophobicContact CG2-CG2 4.02Å
113	F	98.6	Very high	93	Very high	17 Å²	17	59.2 Å²	59.2	8%	0.075	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160.7	-176	-60.3	-85.3	0	0	0	112.1	V65 V66 K68 L85 I95 S96 L97 L111	V65-F113 WeakPolarHBondContact CA-O 3.23Å; V65-F113 WeakPolarHBondContact CB-O 3.42Å; V66-F113 HydrophobicContact CB-CB 4.38Å; V66-F113 PolarHBondContact N-O 3.5Å; V66-F113 PolarHBondContact O-N 3.31Å; K68-F113 HydrophobicContact CB-CD2 4.35Å; K68-F113 HydrophobicContact CB-CE2 3.75Å; K68-F113 HydrophobicContact CD-CE2 4.08Å; L85-F113 HydrophobicContact CD1-CE1 3.68Å; L85-F113 HydrophobicContact CD1-CZ 3.86Å; L85-F113 HydrophobicContact CD2-CE1 3.99Å; L85-F113 HydrophobicContact CG-CE1 4.49Å; I95-F113 HydrophobicContact CD1-CB 4.49Å; I95-F113 HydrophobicContact CG1-CB 4.07Å; I95-F113 HydrophobicContact CG1-CD1 3.77Å; I95-F113 HydrophobicContact CG1-CG 4.19Å; I95-F113 HydrophobicContact CG2-CD1 4.17Å; I95-F113 HydrophobicContact CG2-CE1 4.24Å; S96-F113 WeakPolarHBondContact O-CA 3.47Å; L97-F113 HydrophobicContact CB-CE1 4.4Å; L97-F113 HydrophobicContact CD1-CD1 4.33Å; L97-F113 HydrophobicContact CD1-CE1 3.96Å; L97-F113 HydrophobicContact CD1-CZ 4.23Å; L111-F113 HydrophobicContact CB-CD2 4.41Å; L111-F113 HydrophobicContact CB-CE2 3.5Å; L111-F113 VanDerWaalsContact CB-CE2 3.5Å; L111-F113 HydrophobicContact CB-CZ 3.65Å; L111-F113 HydrophobicContact CD1-CE2 4.49Å; L111-F113 HydrophobicContact CD1-CZ 3.98Å; L111-F113 HydrophobicContact CG-CZ 4.48Å
114	E	97.4	Very high	92.5	Very high	49 Å²	49	57.6 Å²	57.6	23%	0.229	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	143.7	165.9	69.8	-179.7	137.3	0	0	110.2	I95 S96 V116 R172	I95-E114 HydrophobicContact CD1-CG 3.56Å; I95-E114 HydrophobicContact CG1-CG 4.4Å; S96-E114 PolarHBondContact N-OE1 3.02Å; S96-E114 PolarHBondContact O-N 3.08Å; S96-E114 VanDerWaalsContact O-N 3.08Å; E114-V116 HydrophobicContact CG-CG2 4.02Å; E114-R172 IonicContact OE1-CZ 3.73Å; E114-R172 IonicContact OE1-NE 3.81Å; E114-R172 PolarHBondContact OE1-NE 3.03Å; E114-R172 IonicContact OE1-NH2 2.67Å; E114-R172 IonicContact OE2-CZ 2.65Å; E114-R172 IonicContact OE2-NE 3.74Å; E114-R172 IonicContact OE2-NH2 3.95Å; E114-R172 PolarHBondContact OE2-NH2 3.32Å
115	H	96.8	Very high	91.8	Very high	53 Å²	53	55.6 Å²	55.6	25%	0.245	28%	0.284	C	S	.	.			trans	-75.3	129.7	172.3	177.3	-80.8	0	0	0	110.5	K64 N117	K64-H115 HydrophobicContact CB-CB 3.93Å; K64-H115 VanDerWaalsContact O-CB 3.26Å; K64-H115 WeakPolarHBondContact O-CB 3.45Å; H115-N117 PolarHBondContact CE1-OD1 2.91Å; H115-N117 VanDerWaalsContact CE1-OD1 3.28Å
116	V	92.3	Very high	91.2	Very high	28 Å²	28	55.3 Å²	55.3	17%	0.17	27%	0.274	C	S	.	.			trans	-122.7	123.1	176.2	-169.1	0	0	0	0	108	I95 E114 M163 R172	I95-V116 HydrophobicContact CD1-CG2 3.43Å; I95-V116 VanDerWaalsContact CD1-CG2 3.43Å; E114-V116 HydrophobicContact CG-CG2 4.02Å; V116-M163 HydrophobicContact CB-CB 4.49Å; V116-M163 HydrophobicContact CG1-CB 3.93Å; V116-R172 HydrophobicContact CG1-CB 4.46Å; V116-R172 HydrophobicContact CG1-CG 4.13Å; V116-R172 HydrophobicContact CG2-CB 4.35Å; V116-R172 HydrophobicContact CG2-CG 3.84Å
117	N	89.8	Confident	91	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.444	28%	0.278	S	S	.	.			trans	-63.6	139.8	167.6	-66.3	-40.6	0	0	0	108.6	H115 D165	H115-N117 PolarHBondContact CE1-OD1 2.91Å; H115-N117 VanDerWaalsContact CE1-OD1 3.28Å; N117-D165 HydrophobicContact CB-CB 4.16Å; N117-D165 WeakPolarHBondContact CB-OD2 3.37Å; N117-D165 PolarHBondContact ND2-OD2 2.97Å; N117-D165 VanDerWaalsContact ND2-OD2 3.09Å
118	N	90.3	Very high	90.9	Very high	73 Å²	73	49.2 Å²	49.2	39%	0.39	25%	0.251	S	S	.	.			trans	-132.7	121.4	179	-174.7	59.3	0	0	0	110.9	M163 I164	N118-M163 HydrophobicContact CB-SD 3.57Å; N118-M163 VanDerWaalsContact CB-SD 3.57Å; N118-M163 WeakPolarHBondContact OD1-CA 3.34Å; N118-M163 PolarHBondContact OD1-SD 3.02Å; N118-M163 VanDerWaalsContact OD1-SD 3.39Å; N118-I164 WeakPolarHBondContact CA-O 3.24Å; N118-I164 PolarHBondContact OD1-N 3.34Å
119	T	86.7	Confident	90.9	Very high	51 Å²	51	50.3 Å²	50.3	31%	0.313	26%	0.258	S	S	.	.			trans	-79	124.7	160	-48.8	0	0	0	0	107.8	F121 L124 I164	T119-F121 PolarHBondContact O-N 3.48Å; T119-L124 HydrophobicContact CG2-CB 4.05Å; T119-L124 HydrophobicContact CG2-CD1 4.39Å; T119-I164 PolarHBondContact N-O 2.99Å
120	D	82.5	Confident	90.8	Very high	78 Å²	78	51.3 Å²	51.3	42%	0.417	26%	0.262	S	S	.	.			trans	-53.3	126	179.7	178.2	-99	0	0	0	110.8	K122 Q123 L124	D120-K122 PolarHBondContact O-N 2.8Å; D120-K122 VanDerWaalsContact OD1-CB 3.25Å; D120-K122 WeakPolarHBondContact OD1-CB 3.49Å; D120-K122 PolarHBondContact OD1-N 3.31Å; D120-K122 VanDerWaalsContact OD1-N 3.13Å; D120-Q123 HydrophobicContact CB-CG 4.27Å; D120-Q123 PolarHBondContact O-N 3.27Å; D120-Q123 PolarHBondContact OD1-N 3.08Å; D120-L124 PolarHBondContact O-N 2.69Å
121	F	79	Confident	90.8	Very high	20 Å²	20	54.5 Å²	54.5	9%	0.088	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-35.4	-171.5	-176.3	-87.5	0	0	0	112.1	T119 Q123 L124 Y125 P159 M225	T119-F121 PolarHBondContact O-N 3.48Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 2.84Å; F121-L124 PolarHBondContact O-N 3.04Å; F121-Y125 AromaticContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CG 4.22Å; F121-Y125 AromaticContact CZ-CD2 3.9Å; F121-Y125 HydrophobicContact CZ-CD2 3.9Å; F121-Y125 WeakPolarHBondContact O-CB 3.34Å; F121-Y125 PolarHBondContact O-N 3.08Å; F121-P159 HydrophobicContact CB-CB 4.39Å; F121-P159 HydrophobicContact CD1-CB 3.33Å; F121-P159 HydrophobicContact CD1-CG 4.12Å; F121-P159 HydrophobicContact CD2-CB 3.85Å; F121-P159 HydrophobicContact CE1-CB 3.37Å; F121-P159 HydrophobicContact CE1-CG 3.68Å; F121-P159 HydrophobicContact CE2-CB 3.88Å; F121-P159 HydrophobicContact CG-CB 3.57Å; F121-P159 HydrophobicContact CZ-CB 3.65Å; F121-P159 HydrophobicContact CZ-CG 3.9Å; F121-M225 HydrophobicContact CZ-CG 4.31Å; F121-M225 HydrophobicContact CZ-SD 4.2Å
122	K	79.6	Confident	90.7	Very high	143 Å²	143	55.2 Å²	55.2	62%	0.622	28%	0.278	S	S	*	.	H	α-helix	trans	-66.6	-33.1	-179.1	-171.9	-179.5	177.3	-177.9	0	111.7	D120	D120-K122 PolarHBondContact O-N 2.8Å; D120-K122 VanDerWaalsContact OD1-CB 3.25Å; D120-K122 WeakPolarHBondContact OD1-CB 3.49Å; D120-K122 PolarHBondContact OD1-N 3.31Å; D120-K122 VanDerWaalsContact OD1-N 3.13Å
123	Q	84.1	Confident	90.7	Very high	135 Å²	135	55.4 Å²	55.4	63%	0.631	28%	0.279	S	S	*	.	H	α-helix	trans	-74.8	-48	172.9	-61.5	-178.4	7.2	0	0	110.8	D120 F121 Y125 Q126	D120-Q123 HydrophobicContact CB-CG 4.27Å; D120-Q123 PolarHBondContact O-N 3.27Å; D120-Q123 PolarHBondContact OD1-N 3.08Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 2.84Å; Q123-Y125 PolarHBondContact O-N 3.06Å; Q123-Q126 PolarHBondContact O-N 2.82Å
124	L	86.9	Confident	90.7	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-43.7	-175.7	-177.7	60.3	0	0	0	112.3	T119 D120 F121 Q126 T127 L128 I164 H166	T119-L124 HydrophobicContact CG2-CB 4.05Å; T119-L124 HydrophobicContact CG2-CD1 4.39Å; D120-L124 PolarHBondContact O-N 2.69Å; F121-L124 PolarHBondContact O-N 3.04Å; L124-Q126 PolarHBondContact O-N 2.88Å; L124-Q126 VanDerWaalsContact O-N 3.09Å; L124-T127 PolarHBondContact O-N 3.4Å; L124-T127 PolarHBondContact O-OG1 2.9Å; L124-L128 HydrophobicContact CD1-CD2 3.71Å; L124-L128 HydrophobicContact CD1-CG 4.49Å; L124-L128 HydrophobicContact CD2-CD2 4.31Å; L124-L128 HydrophobicContact CG-CD2 3.73Å; L124-L128 HydrophobicContact CG-CG 4.16Å; L124-L128 WeakPolarHBondContact O-CG 3.47Å; L124-L128 PolarHBondContact O-N 2.84Å; L124-L128 VanDerWaalsContact O-N 3.12Å; L124-I164 HydrophobicContact CD2-CB 3.83Å; L124-I164 HydrophobicContact CD2-CD1 3.84Å; L124-I164 HydrophobicContact CD2-CG1 4.4Å; L124-I164 HydrophobicContact CD2-CG2 3.62Å; L124-H166 HydrophobicContact CD1-CB 3.86Å; L124-H166 HydrophobicContact CD2-CB 4.42Å
125	Y	82.9	Confident	90.7	Very high	13 Å²	13	54.3 Å²	54.3	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-52.9	-34.8	-178.4	171.7	-82.7	0	0	0	113.8	F121 Q123 T127 S224 M225 R228 K229	F121-Y125 AromaticContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CG 4.22Å; F121-Y125 AromaticContact CZ-CD2 3.9Å; F121-Y125 HydrophobicContact CZ-CD2 3.9Å; F121-Y125 WeakPolarHBondContact O-CB 3.34Å; F121-Y125 PolarHBondContact O-N 3.08Å; Q123-Y125 PolarHBondContact O-N 3.06Å; Y125-T127 VanDerWaalsContact C-N 3.27Å; Y125-T127 PolarHBondContact O-N 3.21Å; Y125-S224 PolarHBondContact OH-O 3.17Å; Y125-M225 HydrophobicContact CD2-CB 4.36Å; Y125-M225 HydrophobicContact CD2-CG 3.57Å; Y125-M225 HydrophobicContact CE2-CB 4.01Å; Y125-M225 HydrophobicContact CE2-CG 3.57Å; Y125-R228 VanDerWaalsContact OH-CA 3.22Å; Y125-R228 WeakPolarHBondContact OH-CA 3.44Å; Y125-K229 PolarHBondContact OH-N 2.82Å
126	Q	84.5	Confident	90.8	Very high	128 Å²	128	52 Å²	52	60%	0.598	26%	0.262	S	S	*	.	H	α-helix	trans	-75.7	-18.1	-179.2	-63.4	-174	-4	0	0	112.7	Q123 L124 R228	Q123-Q126 PolarHBondContact O-N 2.82Å; L124-Q126 PolarHBondContact O-N 2.88Å; L124-Q126 VanDerWaalsContact O-N 3.09Å; Q126-R228 VanDerWaalsContact O-CZ 3.28Å; Q126-R228 PolarHBondContact O-NH1 2.98Å; Q126-R228 PolarHBondContact O-NH2 3.47Å
127	T	91	Very high	91.1	Very high	90 Å²	90	50.7 Å²	50.7	55%	0.552	25%	0.254	S	S	*	.	H	α-helix	trans	-105.6	-13.8	-176.6	65.3	0	0	0	0	113.2	L124 Y125 T129	L124-T127 PolarHBondContact O-N 3.4Å; L124-T127 PolarHBondContact O-OG1 2.9Å; Y125-T127 VanDerWaalsContact C-N 3.27Å; Y125-T127 PolarHBondContact O-N 3.21Å; T127-T129 PolarHBondContact O-N 2.82Å
128	L	95	Very high	91.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.235	C	C	.	.			trans	-59.7	131.7	179.4	-64.4	-176.5	0	0	0	112.1	L124 D132 I133 Y136 M225 R228	L124-L128 HydrophobicContact CD1-CD2 3.71Å; L124-L128 HydrophobicContact CD1-CG 4.49Å; L124-L128 HydrophobicContact CD2-CD2 4.31Å; L124-L128 HydrophobicContact CG-CD2 3.73Å; L124-L128 HydrophobicContact CG-CG 4.16Å; L124-L128 WeakPolarHBondContact O-CG 3.47Å; L124-L128 PolarHBondContact O-N 2.84Å; L124-L128 VanDerWaalsContact O-N 3.12Å; L128-D132 HydrophobicContact CB-CB 4.27Å; L128-D132 HydrophobicContact CD2-CB 3.76Å; L128-I133 HydrophobicContact CB-CG1 3.92Å; L128-I133 HydrophobicContact CD1-CG1 4.16Å; L128-Y136 HydrophobicContact CD2-CD2 4.08Å; L128-Y136 HydrophobicContact CD2-CE2 3.91Å; L128-M225 HydrophobicContact CD1-SD 4.2Å; L128-R228 PolarHBondContact O-NH2 3.19Å
129	T	96.8	Very high	91.9	Very high	68 Å²	68	44.6 Å²	44.6	42%	0.417	22%	0.221	S	C	.	.			trans	-79.9	166.9	168.7	68.8	0	0	0	0	110.9	T127 Y131 D132 I133	T127-T129 PolarHBondContact O-N 2.82Å; T129-Y131 PolarHBondContact O-N 2.73Å; T129-D132 WeakPolarHBondContact CB-OD2 3.35Å; T129-D132 PolarHBondContact N-OD2 3.47Å; T129-D132 PolarHBondContact O-N 3.01Å; T129-D132 VanDerWaalsContact O-N 3.14Å; T129-D132 VanDerWaalsContact OG1-CG 3.23Å; T129-D132 PolarHBondContact OG1-N 3.5Å; T129-D132 VanDerWaalsContact OG1-N 3.13Å; T129-D132 PolarHBondContact OG1-OD2 3.31Å; T129-I133 WeakPolarHBondContact O-CG1 3.26Å; T129-I133 PolarHBondContact O-N 2.81Å
130	D	97.3	Very high	92.5	Very high	42 Å²	42	42.4 Å²	42.4	23%	0.225	21%	0.207	C	C	.	.	H	α-helix	trans	-52.9	-44.7	171.5	174.9	37.9	0	0	0	111.5	D132 I133 R134 L292	D130-D132 PolarHBondContact O-N 2.84Å; D130-I133 PolarHBondContact O-N 3.2Å; D130-R134 VanDerWaalsContact CG-NE 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.48Å; D130-R134 PolarHBondContact O-N 2.95Å; D130-R134 IonicContact OD1-CZ 2.7Å; D130-R134 IonicContact OD1-NE 2.74Å; D130-R134 PolarHBondContact OD1-NE 3.47Å; D130-R134 IonicContact OD1-NH2 3.49Å; D130-R134 PolarHBondContact OD1-NH2 2.83Å; D130-R134 IonicContact OD2-CZ 3.61Å; D130-R134 IonicContact OD2-NE 2.92Å; D130-R134 PolarHBondContact OD2-NE 3.35Å; D130-R134 IonicContact OD2-NH2 3.3Å; D130-R134 PolarHBondContact OD2-NH2 2.87Å; D130-L292 HydrophobicContact CB-CD2 4.38Å
131	Y	97.4	Very high	93.2	Very high	67 Å²	67	38.7 Å²	38.7	26%	0.263	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-42.6	177.6	-176.5	-85.2	0	0	0	112.2	T129 R134 F135 I327 E330	T129-Y131 PolarHBondContact O-N 2.73Å; Y131-R134 PolarHBondContact O-N 2.82Å; Y131-F135 HydrophobicContact CE1-CB 4.24Å; Y131-F135 WeakPolarHBondContact O-CB 3.36Å; Y131-F135 PolarHBondContact O-N 3.05Å; Y131-I327 HydrophobicContact CD2-CD1 3.96Å; Y131-I327 HydrophobicContact CE1-CD1 4.07Å; Y131-I327 HydrophobicContact CE2-CD1 3.48Å; Y131-I327 VanDerWaalsContact CE2-CD1 3.48Å; Y131-I327 HydrophobicContact CG-CD1 4.46Å; Y131-E330 VanDerWaalsContact CE2-OE2 3.32Å; Y131-E330 WeakPolarHBondContact CE2-OE2 3.39Å; Y131-E330 PolarHBondContact OH-OE2 3.02Å
132	D	97.4	Very high	94.2	Very high	16 Å²	16	40.1 Å²	40.1	9%	0.086	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-38.3	179.1	-61.5	-51.7	0	0	0	112.6	L128 T129 D130 F135 Y136 R169	L128-D132 HydrophobicContact CB-CB 4.27Å; L128-D132 HydrophobicContact CD2-CB 3.76Å; T129-D132 WeakPolarHBondContact CB-OD2 3.35Å; T129-D132 PolarHBondContact N-OD2 3.47Å; T129-D132 PolarHBondContact O-N 3.01Å; T129-D132 VanDerWaalsContact O-N 3.14Å; T129-D132 VanDerWaalsContact OG1-CG 3.23Å; T129-D132 PolarHBondContact OG1-N 3.5Å; T129-D132 VanDerWaalsContact OG1-N 3.13Å; T129-D132 PolarHBondContact OG1-OD2 3.31Å; D130-D132 PolarHBondContact O-N 2.84Å; D132-F135 PolarHBondContact O-N 2.65Å; D132-Y136 HydrophobicContact CB-CD2 4.35Å; D132-Y136 HydrophobicContact CB-CE2 4.27Å; D132-Y136 WeakPolarHBondContact O-CD2 3.19Å; D132-Y136 PolarHBondContact O-N 2.74Å; D132-R169 IonicContact OD1-CZ 3.61Å; D132-R169 IonicContact OD1-NH1 3.17Å; D132-R169 PolarHBondContact OD1-NH1 2.9Å; D132-R169 IonicContact OD1-NH2 3.59Å; D132-R169 PolarHBondContact OD1-NH2 3.34Å
133	I	97.8	Very high	95.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-49.6	173.8	-65.3	168.4	0	0	0	109.4	L128 T129 D130 F135 Y136 M137 L222 M225 V226 L292	L128-I133 HydrophobicContact CB-CG1 3.92Å; L128-I133 HydrophobicContact CD1-CG1 4.16Å; T129-I133 WeakPolarHBondContact O-CG1 3.26Å; T129-I133 PolarHBondContact O-N 2.81Å; D130-I133 PolarHBondContact O-N 3.2Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 2.67Å; I133-Y136 PolarHBondContact O-N 2.84Å; I133-M137 HydrophobicContact CG2-CG 4.17Å; I133-M137 VanDerWaalsContact O-CB 3.22Å; I133-M137 WeakPolarHBondContact O-CB 2.98Å; I133-M137 WeakPolarHBondContact O-CG 3.47Å; I133-M137 PolarHBondContact O-N 2.72Å; I133-L222 HydrophobicContact CG2-CD1 3.94Å; I133-M225 HydrophobicContact CD1-CB 4.07Å; I133-M225 HydrophobicContact CG1-CB 4.28Å; I133-M225 HydrophobicContact CG1-SD 4.45Å; I133-M225 HydrophobicContact CG2-CB 4.18Å; I133-M225 HydrophobicContact CG2-CE 4.2Å; I133-M225 HydrophobicContact CG2-SD 4.3Å; I133-V226 HydrophobicContact CG2-CG1 4.26Å; I133-L292 HydrophobicContact CD1-CB 4.48Å; I133-L292 HydrophobicContact CD1-CD1 4.11Å; I133-L292 HydrophobicContact CD1-CD2 4.11Å; I133-L292 HydrophobicContact CD1-CG 4.46Å
134	R	98.4	Very high	95.8	Very high	22 Å²	22	26.9 Å²	26.9	8%	0.083	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-47.4	175.8	-69.3	170.4	-164.7	-118.8	11.5	111.5	D130 Y131 F138 S294 Y323 F324 I327	D130-R134 VanDerWaalsContact CG-NE 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.48Å; D130-R134 PolarHBondContact O-N 2.95Å; D130-R134 IonicContact OD1-CZ 2.7Å; D130-R134 IonicContact OD1-NE 2.74Å; D130-R134 PolarHBondContact OD1-NE 3.47Å; D130-R134 IonicContact OD1-NH2 3.49Å; D130-R134 PolarHBondContact OD1-NH2 2.83Å; D130-R134 IonicContact OD2-CZ 3.61Å; D130-R134 IonicContact OD2-NE 2.92Å; D130-R134 PolarHBondContact OD2-NE 3.35Å; D130-R134 IonicContact OD2-NH2 3.3Å; D130-R134 PolarHBondContact OD2-NH2 2.87Å; Y131-R134 PolarHBondContact O-N 2.82Å; R134-F138 WeakPolarHBondContact O-CB 3.21Å; R134-F138 PolarHBondContact O-N 3.09Å; R134-S294 PolarHBondContact NH2-OG 2.93Å; R134-S294 VanDerWaalsContact NH2-OG 3.08Å; R134-Y323 HydrophobicContact CB-CE1 4.34Å; R134-Y323 WeakPolarHBondContact CD-O 3.44Å; R134-Y323 HydrophobicContact CG-CD1 4.11Å; R134-Y323 HydrophobicContact CG-CD2 4.24Å; R134-Y323 HydrophobicContact CG-CE1 3.55Å; R134-Y323 HydrophobicContact CG-CE2 3.69Å; R134-Y323 HydrophobicContact CG-CG 4.43Å; R134-Y323 VanDerWaalsContact CZ-CE2 3.48Å; R134-Y323 PolarHBondContact NH1-O 2.75Å; R134-F324 HydrophobicContact CB-CD1 4.43Å; R134-F324 WeakPolarHBondContact O-CD1 3.43Å; R134-F324 WeakPolarHBondContact O-CE1 3.33Å; R134-I327 HydrophobicContact CB-CD1 3.87Å; R134-I327 HydrophobicContact CB-CG1 3.86Å
135	F	98.1	Very high	96.4	Very high	21 Å²	21	27.1 Å²	27.1	9%	0.092	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-54.1	-179.3	177.6	-91.8	0	0	0	111.7	Y131 D132 I133 M137 F138 E139 R169 I327	Y131-F135 HydrophobicContact CE1-CB 4.24Å; Y131-F135 WeakPolarHBondContact O-CB 3.36Å; Y131-F135 PolarHBondContact O-N 3.05Å; D132-F135 PolarHBondContact O-N 2.65Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 2.67Å; F135-M137 PolarHBondContact O-N 3.47Å; F135-F138 WeakPolarHBondContact O-CB 3.24Å; F135-F138 PolarHBondContact O-N 3.35Å; F135-F138 VanDerWaalsContact O-N 3.16Å; F135-E139 HydrophobicContact CD1-CG 4.26Å; F135-E139 HydrophobicContact CE1-CG 3.83Å; F135-E139 HydrophobicContact CE2-CG 4.45Å; F135-E139 HydrophobicContact CZ-CG 3.94Å; F135-E139 WeakPolarHBondContact O-CG 3.11Å; F135-E139 PolarHBondContact O-N 3.3Å; F135-R169 VanDerWaalsContact CB-NH2 3.29Å; F135-R169 VanDerWaalsContact CD1-NH2 3.28Å; F135-R169 HydrophobicContact CE1-CB 3.81Å; F135-R169 HydrophobicContact CZ-CB 3.85Å; F135-I327 HydrophobicContact CB-CD1 3.99Å; F135-I327 HydrophobicContact CD2-CG2 4.38Å
136	Y	98	Very high	97.1	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-68.5	-34.6	-177.5	-70.7	-55.9	0	0	0	112.9	L128 D132 I133 F138 E139 I140 I164 H166 L171	L128-Y136 HydrophobicContact CD2-CD2 4.08Å; L128-Y136 HydrophobicContact CD2-CE2 3.91Å; D132-Y136 HydrophobicContact CB-CD2 4.35Å; D132-Y136 HydrophobicContact CB-CE2 4.27Å; D132-Y136 WeakPolarHBondContact O-CD2 3.19Å; D132-Y136 PolarHBondContact O-N 2.74Å; I133-Y136 PolarHBondContact O-N 2.84Å; Y136-F138 VanDerWaalsContact C-N 3.31Å; Y136-F138 PolarHBondContact O-N 3.35Å; Y136-E139 PolarHBondContact O-N 3.46Å; Y136-I140 VanDerWaalsContact O-CG1 3.26Å; Y136-I140 WeakPolarHBondContact O-CG1 3.34Å; Y136-I140 PolarHBondContact O-N 3.23Å; Y136-I164 HydrophobicContact CD1-CD1 4.17Å; Y136-I164 HydrophobicContact CD1-CG2 4.16Å; Y136-I164 HydrophobicContact CD2-CD1 4.35Å; Y136-I164 HydrophobicContact CE1-CG2 3.47Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.47Å; Y136-I164 HydrophobicContact CE2-CG2 4.11Å; Y136-I164 HydrophobicContact CG-CD1 4.1Å; Y136-I164 VanDerWaalsContact CZ-CG2 3.44Å; Y136-H166 AromaticContact CE2-ND1 3.64Å; Y136-H166 AromaticContact CZ-ND1 3.66Å; Y136-H166 WeakPolarHBondContact OH-CA 3.38Å; Y136-H166 PolarHBondContact OH-ND1 2.78Å; Y136-L171 HydrophobicContact CD1-CD1 3.81Å; Y136-L171 HydrophobicContact CG-CD1 4.42Å
137	M	98.6	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-40.9	172	-71.9	-65.7	-64.5	0	0	111.7	I133 F135 I140 L141 L218 L222 M225 F300 F324	I133-M137 HydrophobicContact CG2-CG 4.17Å; I133-M137 VanDerWaalsContact O-CB 3.22Å; I133-M137 WeakPolarHBondContact O-CB 2.98Å; I133-M137 WeakPolarHBondContact O-CG 3.47Å; I133-M137 PolarHBondContact O-N 2.72Å; F135-M137 PolarHBondContact O-N 3.47Å; M137-I140 PolarHBondContact O-N 2.88Å; M137-I140 HydrophobicContact SD-CD1 4.42Å; M137-L141 VanDerWaalsContact O-CG 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.41Å; M137-L141 PolarHBondContact O-N 2.71Å; M137-L218 HydrophobicContact CE-CD1 3.34Å; M137-L218 HydrophobicContact CE-CD2 4.05Å; M137-L218 HydrophobicContact CE-CG 3.43Å; M137-L218 VanDerWaalsContact CE-CG 3.43Å; M137-L218 HydrophobicContact SD-CD1 3.8Å; M137-L222 HydrophobicContact CE-CB 3.7Å; M137-L222 HydrophobicContact CE-CD1 4.22Å; M137-L222 HydrophobicContact CE-CD2 4.46Å; M137-L222 HydrophobicContact CE-CG 4.35Å; M137-L222 HydrophobicContact CG-CD1 4.17Å; M137-L222 HydrophobicContact SD-CB 4.39Å; M137-M225 HydrophobicContact CG-CE 3.78Å; M137-M225 HydrophobicContact SD-CE 3.27Å; M137-M225 WeakPolarHBondContact SD-CE 3.41Å; M137-F300 HydrophobicContact CE-CE1 4.42Å; M137-F324 HydrophobicContact CB-CE1 3.84Å; M137-F324 HydrophobicContact CB-CZ 4Å
138	F	98.8	Very high	98.2	Very high	11 Å²	11	19 Å²	19	5%	0.048	9%	0.089	C	C	.	.	H	α-helix	trans	-65	-40.7	175	-165.2	-103.2	0	0	0	112.2	R134 F135 Y136 L141 K142 M319 F324 I327 V328	R134-F138 WeakPolarHBondContact O-CB 3.21Å; R134-F138 PolarHBondContact O-N 3.09Å; F135-F138 WeakPolarHBondContact O-CB 3.24Å; F135-F138 PolarHBondContact O-N 3.35Å; F135-F138 VanDerWaalsContact O-N 3.16Å; Y136-F138 VanDerWaalsContact C-N 3.31Å; Y136-F138 PolarHBondContact O-N 3.35Å; F138-L141 WeakPolarHBondContact O-CB 3.43Å; F138-L141 PolarHBondContact O-N 2.81Å; F138-K142 PolarHBondContact O-N 3.23Å; F138-M319 HydrophobicContact CD2-CB 4.38Å; F138-M319 HydrophobicContact CD2-CG 4.26Å; F138-M319 HydrophobicContact CE1-CE 4.1Å; F138-M319 HydrophobicContact CE2-CB 3.74Å; F138-M319 HydrophobicContact CE2-CE 3.97Å; F138-M319 HydrophobicContact CE2-CG 3.96Å; F138-M319 HydrophobicContact CZ-CB 4.44Å; F138-M319 HydrophobicContact CZ-CE 3.64Å; F138-F324 HydrophobicContact CB-CD1 3.79Å; F138-F324 HydrophobicContact CB-CE1 3.96Å; F138-F324 HydrophobicContact CD2-CB 3.75Å; F138-F324 AromaticContact CD2-CD1 3.77Å; F138-F324 HydrophobicContact CD2-CD1 3.77Å; F138-F324 HydrophobicContact CD2-CD2 4.2Å; F138-F324 HydrophobicContact CD2-CE1 4.4Å; F138-F324 AromaticContact CD2-CG 3.64Å; F138-F324 HydrophobicContact CD2-CG 3.64Å; F138-F324 HydrophobicContact CE2-CB 4.07Å; F138-F324 HydrophobicContact CE2-CG 4.35Å; F138-F324 HydrophobicContact CG-CD1 4.23Å; F138-I327 HydrophobicContact CB-CG2 4.19Å; F138-I327 HydrophobicContact CD1-CG2 3.84Å; F138-I327 HydrophobicContact CE1-CG2 4.4Å; F138-I327 HydrophobicContact CG-CG2 4.05Å; F138-V328 HydrophobicContact CE2-CG2 3.94Å; F138-V328 HydrophobicContact CZ-CG2 3.78Å
139	E	98.6	Very high	98.4	Very high	18 Å²	18	20.6 Å²	20.6	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-67.5	-33.6	176.6	-66.9	-53.6	118.3	0	0	112.8	N93 F135 Y136 K142 A143 L171 Q331	N93-E139 PolarHBondContact ND2-O 2.73Å; N93-E139 PolarHBondContact ND2-OE2 3.3Å; F135-E139 HydrophobicContact CD1-CG 4.26Å; F135-E139 HydrophobicContact CE1-CG 3.83Å; F135-E139 HydrophobicContact CE2-CG 4.45Å; F135-E139 HydrophobicContact CZ-CG 3.94Å; F135-E139 WeakPolarHBondContact O-CG 3.11Å; F135-E139 PolarHBondContact O-N 3.3Å; Y136-E139 PolarHBondContact O-N 3.46Å; E139-K142 WeakPolarHBondContact OE1-CE 3.41Å; E139-K142 IonicContact OE1-NZ 2.65Å; E139-K142 PolarHBondContact OE1-NZ 3.28Å; E139-K142 IonicContact OE2-NZ 3.05Å; E139-A143 PolarHBondContact O-N 3.06Å; E139-L171 HydrophobicContact CB-CB 4.17Å; E139-L171 HydrophobicContact CB-CD1 4.23Å; E139-Q331 PolarHBondContact OE1-NE2 3.06Å
140	I	98.8	Very high	98.5	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-67.2	-43.6	170.8	-64.3	162.4	0	0	0	110.3	Y136 M137 K142 A143 L144 V162 L171 L218 M221	Y136-I140 VanDerWaalsContact O-CG1 3.26Å; Y136-I140 WeakPolarHBondContact O-CG1 3.34Å; Y136-I140 PolarHBondContact O-N 3.23Å; M137-I140 PolarHBondContact O-N 2.88Å; M137-I140 HydrophobicContact SD-CD1 4.42Å; I140-K142 VanDerWaalsContact C-N 3.26Å; I140-K142 PolarHBondContact O-N 2.99Å; I140-A143 WeakPolarHBondContact O-CB 3.3Å; I140-A143 PolarHBondContact O-N 3.5Å; I140-L144 HydrophobicContact CG2-CD1 4Å; I140-L144 HydrophobicContact CG2-CG 4.19Å; I140-L144 WeakPolarHBondContact O-CG 3.08Å; I140-L144 PolarHBondContact O-N 3.04Å; I140-V162 HydrophobicContact CD1-CG1 4.11Å; I140-V162 HydrophobicContact CD1-CG2 4.14Å; I140-V162 HydrophobicContact CG1-CG1 4.15Å; I140-V162 HydrophobicContact CG1-CG2 4.35Å; I140-L171 HydrophobicContact CD1-CD1 4.29Å; I140-L171 HydrophobicContact CG1-CD1 3.66Å; I140-L171 HydrophobicContact CG1-CD2 3.98Å; I140-L171 HydrophobicContact CG1-CG 4.48Å; I140-L218 HydrophobicContact CB-CD1 4.24Å; I140-L218 HydrophobicContact CD1-CD1 4.42Å; I140-L218 HydrophobicContact CG2-CD1 3.68Å; I140-M221 HydrophobicContact CD1-CE 4.02Å
141	L	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-37	177.8	-76.5	168.1	0	0	0	112.3	M137 F138 A143 L144 D145 M215 L218 F300 A315 A318 M319 F324	M137-L141 VanDerWaalsContact O-CG 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.41Å; M137-L141 PolarHBondContact O-N 2.71Å; F138-L141 WeakPolarHBondContact O-CB 3.43Å; F138-L141 PolarHBondContact O-N 2.81Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-A143 PolarHBondContact O-N 3.46Å; L141-L144 PolarHBondContact O-N 3.47Å; L141-D145 WeakPolarHBondContact O-CB 3.33Å; L141-D145 PolarHBondContact O-N 3.09Å; L141-M215 HydrophobicContact CD2-CE 3.75Å; L141-M215 HydrophobicContact CD2-SD 4.5Å; L141-L218 HydrophobicContact CD2-CD2 3.36Å; L141-L218 HydrophobicContact CG-CD2 3.87Å; L141-F300 HydrophobicContact CD1-CZ 4.28Å; L141-A315 HydrophobicContact CD2-CB 4.24Å; L141-A318 HydrophobicContact CD1-CB 3.91Å; L141-A318 HydrophobicContact CD2-CB 3.62Å; L141-A318 HydrophobicContact CG-CB 4.45Å; L141-M319 HydrophobicContact CB-CG 3.56Å; L141-M319 HydrophobicContact CB-SD 4.15Å; L141-M319 HydrophobicContact CD1-CG 4.03Å; L141-M319 HydrophobicContact CG-CG 4.33Å; L141-F324 HydrophobicContact CD1-CD2 4.38Å; L141-F324 HydrophobicContact CD1-CE1 4.45Å; L141-F324 HydrophobicContact CD1-CE2 3.51Å; L141-F324 HydrophobicContact CD1-CZ 3.54Å
142	K	98.9	Very high	98.6	Very high	50 Å²	50	13.4 Å²	13.4	22%	0.217	6%	0.064	C	C	.	.	H	α-helix	trans	-58.4	-44.4	172.5	-71.3	175.8	-179.4	172.2	0	112.4	P92 F138 E139 I140 Y146 M319	P92-K142 HydrophobicContact CB-CB 4.35Å; P92-K142 HydrophobicContact CG-CB 4.5Å; F138-K142 PolarHBondContact O-N 3.23Å; E139-K142 WeakPolarHBondContact OE1-CE 3.41Å; E139-K142 IonicContact OE1-NZ 2.65Å; E139-K142 PolarHBondContact OE1-NZ 3.28Å; E139-K142 IonicContact OE2-NZ 3.05Å; I140-K142 VanDerWaalsContact C-N 3.26Å; I140-K142 PolarHBondContact O-N 2.99Å; K142-Y146 VanDerWaalsContact O-CB 3.32Å; K142-Y146 WeakPolarHBondContact O-CB 3.25Å; K142-Y146 PolarHBondContact O-N 2.88Å; K142-Y146 VanDerWaalsContact O-N 3.1Å; K142-M319 HydrophobicContact CG-CE 3.66Å; K142-M319 HydrophobicContact CG-SD 4.47Å
143	A	98.9	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.5	-40.4	178	0	0	0	0	0	112	P92 N93 V94 E139 I140 L141 S147 L173	P92-A143 WeakPolarHBondContact O-CA 3.47Å; N93-A143 HydrophobicContact CB-CB 4.12Å; V94-A143 HydrophobicContact CG2-CB 4.46Å; E139-A143 PolarHBondContact O-N 3.06Å; I140-A143 WeakPolarHBondContact O-CB 3.3Å; I140-A143 PolarHBondContact O-N 3.5Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-A143 PolarHBondContact O-N 3.46Å; A143-S147 PolarHBondContact O-N 2.63Å; A143-S147 PolarHBondContact O-OG 2.8Å; A143-L173 HydrophobicContact CB-CB 4.12Å; A143-L173 HydrophobicContact CB-CD2 4.15Å
144	L	98.9	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-69.8	-47.4	179.1	-66.1	-179.4	0	0	0	112.1	I140 L141 Y146 S147 H148 V157 L173 D214 M215 L218 A315	I140-L144 HydrophobicContact CG2-CD1 4Å; I140-L144 HydrophobicContact CG2-CG 4.19Å; I140-L144 WeakPolarHBondContact O-CG 3.08Å; I140-L144 PolarHBondContact O-N 3.04Å; L141-L144 PolarHBondContact O-N 3.47Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 2.63Å; L144-S147 PolarHBondContact O-N 3.09Å; L144-S147 PolarHBondContact O-OG 2.86Å; L144-S147 VanDerWaalsContact O-OG 3.09Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.49Å; L144-H148 PolarHBondContact O-CD2 3.18Å; L144-H148 VanDerWaalsContact O-CD2 3.23Å; L144-H148 PolarHBondContact O-N 3.4Å; L144-H148 PolarHBondContact O-ND1 3.05Å; L144-V157 HydrophobicContact CD2-CG2 3.83Å; L144-L173 HydrophobicContact CD2-CD2 3.86Å; L144-D214 HydrophobicContact CD1-CB 4.41Å; L144-D214 HydrophobicContact CD2-CB 4.14Å; L144-M215 HydrophobicContact CD1-SD 4.36Å; L144-L218 HydrophobicContact CD1-CD2 4.21Å; L144-A315 HydrophobicContact CB-CB 4.14Å
145	D	98.9	Very high	98.8	Very high	9 Å²	9	11.8 Å²	11.8	5%	0.048	6%	0.056	C	C	.	.	H	α-helix	trans	-60.8	-40.6	177.2	-173.5	53.1	0	0	0	111.1	Y12 L141 S149 A315 R316 M319	Y12-D145 PolarHBondContact OH-OD1 3.11Å; L141-D145 WeakPolarHBondContact O-CB 3.33Å; L141-D145 PolarHBondContact O-N 3.09Å; D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.27Å; D145-S149 PolarHBondContact O-N 2.92Å; D145-S149 PolarHBondContact O-OG 3.01Å; D145-A315 HydrophobicContact CB-CB 3.65Å; D145-R316 IonicContact OD2-CZ 3.61Å; D145-R316 IonicContact OD2-NE 2.61Å; D145-R316 PolarHBondContact OD2-NE 2.67Å; D145-R316 IonicContact OD2-NH2 3.59Å; D145-R316 PolarHBondContact OD2-NH2 3.39Å; D145-M319 HydrophobicContact CB-SD 4.32Å
146	Y	98.9	Very high	98.8	Very high	57 Å²	57	11.1 Å²	11.1	22%	0.224	5%	0.053	C	C	.	.	H	α-helix	trans	-60.9	-52.4	174.2	-179.7	-104.8	0	0	0	112	L88 G91 P92 V94 K142 L144 H148 S149 M150	L88-Y146 HydrophobicContact CB-CE1 4.34Å; L88-Y146 HydrophobicContact CD2-CD1 4.11Å; L88-Y146 HydrophobicContact CD2-CE1 3.87Å; G91-Y146 VanDerWaalsContact CA-CZ 3.48Å; P92-Y146 HydrophobicContact CG-CD2 4.38Å; P92-Y146 HydrophobicContact CG-CG 4.1Å; V94-Y146 HydrophobicContact CG2-CD1 4.12Å; K142-Y146 VanDerWaalsContact O-CB 3.32Å; K142-Y146 WeakPolarHBondContact O-CB 3.25Å; K142-Y146 PolarHBondContact O-N 2.88Å; K142-Y146 VanDerWaalsContact O-N 3.1Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 2.63Å; Y146-H148 VanDerWaalsContact C-N 3.35Å; Y146-H148 PolarHBondContact O-N 3.01Å; Y146-S149 PolarHBondContact O-N 2.84Å; Y146-S149 PolarHBondContact O-OG 2.91Å; Y146-M150 HydrophobicContact CD1-CG 4.47Å; Y146-M150 HydrophobicContact CD2-CG 4.46Å; Y146-M150 HydrophobicContact CE1-CG 4.13Å; Y146-M150 HydrophobicContact CE2-CG 4.14Å; Y146-M150 WeakPolarHBondContact O-CB 3.41Å; Y146-M150 VanDerWaalsContact O-CG 3.25Å; Y146-M150 WeakPolarHBondContact O-CG 3.41Å; Y146-M150 PolarHBondContact O-N 3.21Å
147	S	98.9	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.9	-38.8	-178.5	67.1	0	0	0	0	112.7	A143 L144 M150 G151 I152	A143-S147 PolarHBondContact O-N 2.63Å; A143-S147 PolarHBondContact O-OG 2.8Å; L144-S147 PolarHBondContact O-N 3.09Å; L144-S147 PolarHBondContact O-OG 2.86Å; L144-S147 VanDerWaalsContact O-OG 3.09Å; S147-M150 CarbonylContact O-C 3.58Å; S147-M150 WeakPolarHBondContact O-CA 3.13Å; S147-M150 WeakPolarHBondContact O-CB 3.26Å; S147-M150 PolarHBondContact O-N 2.89Å; S147-M150 VanDerWaalsContact O-N 3.14Å; S147-G151 PolarHBondContact O-N 3.23Å; S147-I152 CarbonylContact C-O 3.58Å; S147-I152 VanDerWaalsContact C-O 3.27Å; S147-I152 PolarHBondContact O-N 3.3Å; S147-I152 VanDerWaalsContact O-O 3.13Å
148	H	98.9	Very high	98.8	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-62.5	-44.9	175.2	-63.4	177.7	0	0	0	110.8	Y12 L144 Y146 M150 G151 I152 Y211 D214	Y12-H148 WeakPolarHBondContact CB-O 3.46Å; Y12-H148 VanDerWaalsContact CD2-C 3.45Å; Y12-H148 HydrophobicContact CD2-CB 3.82Å; Y12-H148 HydrophobicContact CE2-CB 3.98Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.49Å; L144-H148 PolarHBondContact O-CD2 3.18Å; L144-H148 VanDerWaalsContact O-CD2 3.23Å; L144-H148 PolarHBondContact O-N 3.4Å; L144-H148 PolarHBondContact O-ND1 3.05Å; Y146-H148 VanDerWaalsContact C-N 3.35Å; Y146-H148 PolarHBondContact O-N 3.01Å; H148-M150 PolarHBondContact O-N 3.23Å; H148-G151 WeakPolarHBondContact O-CA 3.44Å; H148-G151 PolarHBondContact O-N 3.46Å; H148-I152 PolarHBondContact CD2-O 2.74Å; H148-Y211 HydrophobicContact CB-CD1 3.95Å; H148-Y211 HydrophobicContact CB-CE1 4.48Å; H148-Y211 HydrophobicContact CB-CG 4.15Å; H148-Y211 AromaticContact CD2-CD1 3.8Å; H148-Y211 PolarHBondContact CE1-O 3.04Å; H148-Y211 AromaticContact CG-CD1 3.91Å; H148-D214 IonicContact CD2-OD2 3.38Å; H148-D214 IonicContact CE1-OD2 3.47Å; H148-D214 IonicContact NE2-OD2 3Å; H148-D214 PolarHBondContact NE2-OD2 3.26Å
149	S	98.9	Very high	98.6	Very high	35 Å²	35	12 Å²	12	25%	0.245	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-26.3	175	79.6	0	0	0	0	113.4	D145 Y146 G151	D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.27Å; D145-S149 PolarHBondContact O-N 2.92Å; D145-S149 PolarHBondContact O-OG 3.01Å; Y146-S149 PolarHBondContact O-N 2.84Å; Y146-S149 PolarHBondContact O-OG 2.91Å; S149-G151 VanDerWaalsContact C-N 3.25Å; S149-G151 PolarHBondContact O-N 3.44Å
150	M	98.9	Very high	98.3	Very high	27 Å²	27	17.9 Å²	17.9	13%	0.133	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	8.1	173.9	-67.6	-64	-81.7	0	0	112.7	Y23 N87 L88 Y146 S147 H148	Y23-M150 WeakPolarHBondContact CE1-O 3.47Å; Y23-M150 HydrophobicContact CE2-CE 4.29Å; Y23-M150 WeakPolarHBondContact OH-CB 3.2Å; Y23-M150 WeakPolarHBondContact OH-CE 3.46Å; Y23-M150 PolarHBondContact OH-O 3.07Å; N87-M150 WeakPolarHBondContact O-CE 3.26Å; L88-M150 HydrophobicContact CD2-CB 3.7Å; L88-M150 HydrophobicContact CD2-CG 4.08Å; Y146-M150 HydrophobicContact CD1-CG 4.47Å; Y146-M150 HydrophobicContact CD2-CG 4.46Å; Y146-M150 HydrophobicContact CE1-CG 4.13Å; Y146-M150 HydrophobicContact CE2-CG 4.14Å; Y146-M150 WeakPolarHBondContact O-CB 3.41Å; Y146-M150 VanDerWaalsContact O-CG 3.25Å; Y146-M150 WeakPolarHBondContact O-CG 3.41Å; Y146-M150 PolarHBondContact O-N 3.21Å; S147-M150 CarbonylContact O-C 3.58Å; S147-M150 WeakPolarHBondContact O-CA 3.13Å; S147-M150 WeakPolarHBondContact O-CB 3.26Å; S147-M150 PolarHBondContact O-N 2.89Å; S147-M150 VanDerWaalsContact O-N 3.14Å; H148-M150 PolarHBondContact O-N 3.23Å
151	G	98.9	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	20.8	175	0	0	0	0	0	114.5	N16 S147 H148 S149 F181 Y182	N16-G151 PolarHBondContact ND2-O 2.92Å; S147-G151 PolarHBondContact O-N 3.23Å; H148-G151 WeakPolarHBondContact O-CA 3.44Å; H148-G151 PolarHBondContact O-N 3.46Å; S149-G151 VanDerWaalsContact C-N 3.25Å; S149-G151 PolarHBondContact O-N 3.44Å; G151-F181 CarbonylContact O-C 3.39Å; G151-F181 WeakPolarHBondContact O-CA 3.5Å; G151-Y182 PolarHBondContact O-N 3.05Å
152	I	98.9	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129	-171.3	-65.9	158.8	0	0	0	110.4	I84 N87 L88 S147 H148 W176 A179 E180 F181	I84-I152 HydrophobicContact CB-CD1 4.49Å; I84-I152 HydrophobicContact CD1-CG2 4.18Å; I84-I152 HydrophobicContact CG1-CD1 4.24Å; I84-I152 HydrophobicContact CG1-CG1 4.39Å; I84-I152 HydrophobicContact CG1-CG2 4.32Å; I84-I152 HydrophobicContact CG2-CD1 4.23Å; I84-I152 HydrophobicContact CG2-CG2 3.88Å; N87-I152 HydrophobicContact CB-CD1 4.34Å; L88-I152 HydrophobicContact CD1-CD1 4.15Å; L88-I152 HydrophobicContact CD1-CG2 4.26Å; L88-I152 HydrophobicContact CD2-CD1 3.78Å; L88-I152 HydrophobicContact CG-CD1 3.78Å; S147-I152 CarbonylContact C-O 3.58Å; S147-I152 VanDerWaalsContact C-O 3.27Å; S147-I152 PolarHBondContact O-N 3.3Å; S147-I152 VanDerWaalsContact O-O 3.13Å; H148-I152 PolarHBondContact CD2-O 2.74Å; I152-W176 HydrophobicContact CG2-CE3 4.28Å; I152-W176 HydrophobicContact CG2-CZ3 4.09Å; I152-A179 HydrophobicContact CG2-CB 4.17Å; I152-E180 WeakPolarHBondContact CA-O 3.46Å; I152-F181 HydrophobicContact CD1-CD1 4.36Å; I152-F181 HydrophobicContact CD1-CE1 3.81Å; I152-F181 HydrophobicContact CD1-CZ 4.32Å; I152-F181 HydrophobicContact CG1-CD1 3.76Å; I152-F181 HydrophobicContact CG1-CE1 3.72Å; I152-F181 HydrophobicContact CG1-CG 4.5Å; I152-F181 HydrophobicContact CG1-CZ 4.42Å
153	M	98.9	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.2	170.2	-55.5	174.8	-78	0	0	109.6	R155 A179 E180 Y182 Y188 Y209 D210 Y211	M153-R155 HydrophobicContact CB-CG 3.74Å; M153-A179 CarbonylContact O-C 3.52Å; M153-A179 WeakPolarHBondContact O-CA 3.49Å; M153-A179 WeakPolarHBondContact O-CB 3.29Å; M153-E180 HydrophobicContact CE-CB 4.38Å; M153-E180 PolarHBondContact N-O 2.77Å; M153-E180 PolarHBondContact O-N 3.41Å; M153-Y182 HydrophobicContact CE-CD2 4.21Å; M153-Y182 HydrophobicContact SD-CD2 4.22Å; M153-Y188 HydrophobicContact CE-CD1 4.19Å; M153-Y188 HydrophobicContact CE-CD2 4.2Å; M153-Y188 HydrophobicContact CE-CE1 3.86Å; M153-Y188 HydrophobicContact CE-CE2 3.88Å; M153-Y188 HydrophobicContact CE-CG 4.36Å; M153-Y209 HydrophobicContact SD-CD2 4.31Å; M153-Y209 HydrophobicContact SD-CE2 4.37Å; M153-D210 VanDerWaalsContact SD-CA 3.53Å; M153-Y211 HydrophobicContact CG-CD1 3.52Å; M153-Y211 HydrophobicContact CG-CE1 4.04Å; M153-Y211 HydrophobicContact CG-CG 4.26Å
154	H	98.9	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.			trans	-76	-44	179.3	-171.9	-76.6	0	0	0	112.2	D156 V157 I174 W176 L178 A179 D214	H154-D156 PolarHBondContact ND1-N 3.03Å; H154-D156 PolarHBondContact O-N 3.18Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 PolarHBondContact ND1-N 3.35Å; H154-I174 PolarHBondContact NE2-O 3.13Å; H154-W176 HydrophobicContact CB-CZ3 4.1Å; H154-W176 AromaticContact CD2-CD2 3.72Å; H154-W176 AromaticContact CD2-CE2 3.8Å; H154-W176 AromaticContact CD2-CE3 3.62Å; H154-W176 AromaticContact CD2-CH2 3.73Å; H154-W176 AromaticContact CD2-CZ2 3.83Å; H154-W176 AromaticContact CD2-CZ3 3.62Å; H154-L178 CarbonylContact O-C 3.57Å; H154-A179 WeakPolarHBondContact O-CA 3.36Å; H154-A179 PolarHBondContact O-N 2.7Å; H154-D214 PolarHBondContact N-OD2 2.9Å
155	R	98.8	Very high	97.7	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.026	9%	0.092	C	C	.	.	S	Bend	trans	61.5	16.2	175.9	-48.8	-164.9	-59.4	-177.5	-10.3	116.8	M153 L178 E180 V192 A193 Y209 L213 D214	M153-R155 HydrophobicContact CB-CG 3.74Å; R155-L178 VanDerWaalsContact CZ-O 3.24Å; R155-L178 PolarHBondContact NE-O 3.19Å; R155-L178 PolarHBondContact NH2-O 3.46Å; R155-E180 IonicContact NH2-OE2 4Å; R155-V192 HydrophobicContact CB-CB 4.25Å; R155-V192 HydrophobicContact CB-CG2 4.14Å; R155-A193 VanDerWaalsContact O-CA 3.31Å; R155-A193 WeakPolarHBondContact O-CA 3.38Å; R155-A193 WeakPolarHBondContact O-CB 3.34Å; R155-A193 PolarHBondContact O-N 3.22Å; R155-Y209 PolarHBondContact NH1-OH 2.7Å; R155-L213 HydrophobicContact CB-CD2 4.23Å; R155-L213 HydrophobicContact CG-CD2 4.13Å; R155-D214 WeakPolarHBondContact CA-OD1 3.24Å; R155-D214 PolarHBondContact N-OD1 3.34Å
156	D	98.5	Very high	97.5	Very high	7 Å²	7	21 Å²	21	4%	0.037	10%	0.102	C	C	.	.			trans	-156.6	39.2	173	-161.4	32.9	0	0	0	111.3	H154 K158 N161 L178 A193 S194	H154-D156 PolarHBondContact ND1-N 3.03Å; H154-D156 PolarHBondContact O-N 3.18Å; D156-K158 VanDerWaalsContact CG-NZ 3.33Å; D156-K158 PolarHBondContact O-N 3.32Å; D156-K158 IonicContact OD1-NZ 2.94Å; D156-K158 PolarHBondContact OD1-NZ 2.94Å; D156-K158 IonicContact OD2-NZ 2.95Å; D156-K158 PolarHBondContact OD2-NZ 2.94Å; D156-N161 PolarHBondContact O-ND2 2.83Å; D156-N161 PolarHBondContact OD2-ND2 2.84Å; D156-N161 VanDerWaalsContact OD2-ND2 3.16Å; D156-L178 HydrophobicContact CB-CB 4.26Å; D156-L178 HydrophobicContact CB-CD1 3.94Å; D156-A193 WeakPolarHBondContact OD1-CA 3.32Å; D156-S194 PolarHBondContact OD1-N 3.25Å; D156-S194 VanDerWaalsContact OD1-N 3.09Å; D156-S194 PolarHBondContact OD1-OG 2.89Å; D156-S194 VanDerWaalsContact OD1-OG 3.13Å
157	V	98.7	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.			trans	-66	122.2	173.7	178.9	0	0	0	0	108.2	L144 H154 D214 S217 M221	L144-V157 HydrophobicContact CD2-CG2 3.83Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 PolarHBondContact ND1-N 3.35Å; V157-D214 HydrophobicContact CG2-CB 3.98Å; V157-S217 WeakPolarHBondContact O-CB 3.44Å; V157-M221 HydrophobicContact CG1-SD 3.88Å
158	K	96.9	Very high	97	Very high	29 Å²	29	30.8 Å²	30.8	13%	0.126	15%	0.149	C	C	.	.	S	Bend	trans	-166.4	163.4	-179.4	67.8	-166.8	-178.3	-154.7	0	109.1	D156 H160 N161 S194 F197 M221	D156-K158 VanDerWaalsContact CG-NZ 3.33Å; D156-K158 PolarHBondContact O-N 3.32Å; D156-K158 IonicContact OD1-NZ 2.94Å; D156-K158 PolarHBondContact OD1-NZ 2.94Å; D156-K158 IonicContact OD2-NZ 2.95Å; D156-K158 PolarHBondContact OD2-NZ 2.94Å; K158-H160 VanDerWaalsContact C-N 3.27Å; K158-H160 HydrophobicContact CG-CB 4.3Å; K158-H160 PolarHBondContact O-N 2.95Å; K158-H160 VanDerWaalsContact O-N 3.15Å; K158-N161 WeakPolarHBondContact CE-ND2 3.37Å; K158-N161 HydrophobicContact CG-CB 4.18Å; K158-N161 PolarHBondContact O-N 3.1Å; K158-S194 WeakPolarHBondContact CD-OG 3.17Å; K158-S194 PolarHBondContact NZ-OG 3.34Å; K158-F197 HydrophobicContact CB-CD1 4.3Å; K158-F197 HydrophobicContact CB-CD2 3.69Å; K158-F197 HydrophobicContact CB-CE1 4.37Å; K158-F197 HydrophobicContact CB-CE2 3.75Å; K158-F197 HydrophobicContact CB-CG 3.99Å; K158-F197 HydrophobicContact CB-CZ 4.12Å; K158-M221 VanDerWaalsContact C-SD 3.56Å; K158-M221 VanDerWaalsContact CA-SD 3.6Å
159	P	95.4	Very high	96.8	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.039	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.7	-37	-176.8	-27.4	35.5	0	0	0	115.1	F121 N161 V162 F197 M221	F121-P159 HydrophobicContact CB-CB 4.39Å; F121-P159 HydrophobicContact CD1-CB 3.33Å; F121-P159 HydrophobicContact CD1-CG 4.12Å; F121-P159 HydrophobicContact CD2-CB 3.85Å; F121-P159 HydrophobicContact CE1-CB 3.37Å; F121-P159 HydrophobicContact CE1-CG 3.68Å; F121-P159 HydrophobicContact CE2-CB 3.88Å; F121-P159 HydrophobicContact CG-CB 3.57Å; F121-P159 HydrophobicContact CZ-CB 3.65Å; F121-P159 HydrophobicContact CZ-CG 3.9Å; P159-N161 PolarHBondContact O-N 2.97Å; P159-V162 PolarHBondContact O-N 3.33Å; P159-V162 VanDerWaalsContact O-N 3.08Å; P159-F197 HydrophobicContact CG-CE1 4.4Å; P159-F197 HydrophobicContact CG-CZ 4Å; P159-M221 HydrophobicContact CB-CE 4.45Å; P159-M221 HydrophobicContact CG-CE 4.14Å; P159-M221 HydrophobicContact CG-CG 4.11Å; P159-M221 HydrophobicContact CG-SD 4.45Å
160	H	93.3	Very high	96.6	Very high	140 Å²	140	38.4 Å²	38.4	65%	0.648	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-65.6	-19.8	179.2	-67.7	70.5	0	0	0	113.7	K158	K158-H160 VanDerWaalsContact C-N 3.27Å; K158-H160 HydrophobicContact CG-CB 4.3Å; K158-H160 PolarHBondContact O-N 2.95Å; K158-H160 VanDerWaalsContact O-N 3.15Å
161	N	96.6	Very high	96.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-100.1	10.7	178.6	-71.8	-5	0	0	0	112	D156 K158 P159 L173 I174	D156-N161 PolarHBondContact O-ND2 2.83Å; D156-N161 PolarHBondContact OD2-ND2 2.84Å; D156-N161 VanDerWaalsContact OD2-ND2 3.16Å; K158-N161 WeakPolarHBondContact CE-ND2 3.37Å; K158-N161 HydrophobicContact CG-CB 4.18Å; K158-N161 PolarHBondContact O-N 3.1Å; P159-N161 PolarHBondContact O-N 2.97Å; N161-L173 WeakPolarHBondContact O-CD1 3.38Å; N161-I174 HydrophobicContact CB-CG1 4.21Å; N161-I174 VanDerWaalsContact O-CG1 3.24Å; N161-I174 WeakPolarHBondContact O-CG1 3.04Å; N161-I174 PolarHBondContact O-N 3.36Å
162	V	96.8	Very high	96.5	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.6	175.8	-179.8	0	0	0	0	108.2	I140 P159 I164 L171 L173 M221	I140-V162 HydrophobicContact CD1-CG1 4.11Å; I140-V162 HydrophobicContact CD1-CG2 4.14Å; I140-V162 HydrophobicContact CG1-CG1 4.15Å; I140-V162 HydrophobicContact CG1-CG2 4.35Å; P159-V162 PolarHBondContact O-N 3.33Å; P159-V162 VanDerWaalsContact O-N 3.08Å; V162-I164 HydrophobicContact CG1-CD1 4.14Å; V162-I164 HydrophobicContact CG1-CG1 3.94Å; V162-L171 HydrophobicContact CG1-CD1 3.52Å; V162-L171 HydrophobicContact CG1-CD2 4.1Å; V162-L171 HydrophobicContact CG1-CG 3.74Å; V162-L173 HydrophobicContact CG2-CD1 4.21Å; V162-M221 HydrophobicContact CG2-CE 4.05Å
163	M	95.9	Very high	96.5	Very high	46 Å²	46	39.8 Å²	39.8	23%	0.227	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.5	176.4	-66.5	-68.5	158	0	0	109.3	V116 N118 L171 R172 I174	V116-M163 HydrophobicContact CB-CB 4.49Å; V116-M163 HydrophobicContact CG1-CB 3.93Å; N118-M163 HydrophobicContact CB-SD 3.57Å; N118-M163 VanDerWaalsContact CB-SD 3.57Å; N118-M163 WeakPolarHBondContact OD1-CA 3.34Å; N118-M163 PolarHBondContact OD1-SD 3.02Å; N118-M163 VanDerWaalsContact OD1-SD 3.39Å; M163-L171 CarbonylContact O-C 3.53Å; M163-L171 WeakPolarHBondContact O-CA 3.2Å; M163-R172 HydrophobicContact CB-CB 4.37Å; M163-R172 PolarHBondContact N-O 2.7Å; M163-R172 PolarHBondContact O-N 3.17Å; M163-I174 HydrophobicContact CB-CG2 4.39Å; M163-I174 HydrophobicContact CE-CD1 3.31Å; M163-I174 HydrophobicContact CE-CG1 4.33Å; M163-I174 HydrophobicContact CG-CD1 4Å; M163-I174 HydrophobicContact CG-CG1 4.2Å; M163-I174 HydrophobicContact CG-CG2 3.71Å; M163-I174 HydrophobicContact SD-CD1 4.49Å
164	I	95.9	Very high	96.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.4	-177.4	-57.3	-180	0	0	0	110	N118 T119 L124 Y136 V162 H166 L171	N118-I164 WeakPolarHBondContact CA-O 3.24Å; N118-I164 PolarHBondContact OD1-N 3.34Å; T119-I164 PolarHBondContact N-O 2.99Å; L124-I164 HydrophobicContact CD2-CB 3.83Å; L124-I164 HydrophobicContact CD2-CD1 3.84Å; L124-I164 HydrophobicContact CD2-CG1 4.4Å; L124-I164 HydrophobicContact CD2-CG2 3.62Å; Y136-I164 HydrophobicContact CD1-CD1 4.17Å; Y136-I164 HydrophobicContact CD1-CG2 4.16Å; Y136-I164 HydrophobicContact CD2-CD1 4.35Å; Y136-I164 HydrophobicContact CE1-CG2 3.47Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.47Å; Y136-I164 HydrophobicContact CE2-CG2 4.11Å; Y136-I164 HydrophobicContact CG-CD1 4.1Å; Y136-I164 VanDerWaalsContact CZ-CG2 3.44Å; V162-I164 HydrophobicContact CG1-CD1 4.14Å; V162-I164 HydrophobicContact CG1-CG1 3.94Å; I164-H166 HydrophobicContact CG2-CB 4.33Å; I164-L171 HydrophobicContact CD1-CD1 4.36Å; I164-L171 HydrophobicContact CG1-CD1 4.17Å; I164-L171 HydrophobicContact CG1-CG 4.47Å
165	D	95.3	Very high	96.3	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	95.7	162.1	-175.6	-28.2	0	0	0	106.8	N117 E167 H168 R169 K170	N117-D165 HydrophobicContact CB-CB 4.16Å; N117-D165 WeakPolarHBondContact CB-OD2 3.37Å; N117-D165 PolarHBondContact ND2-OD2 2.97Å; N117-D165 VanDerWaalsContact ND2-OD2 3.09Å; D165-E167 PolarHBondContact OD1-N 2.63Å; D165-H168 VanDerWaalsContact CG-ND1 3.25Å; D165-H168 IonicContact OD1-CE1 3.82Å; D165-H168 IonicContact OD1-CG 3.18Å; D165-H168 PolarHBondContact OD1-N 2.88Å; D165-H168 VanDerWaalsContact OD1-N 3.08Å; D165-H168 IonicContact OD1-ND1 3.55Å; D165-H168 PolarHBondContact OD1-ND1 2.81Å; D165-H168 IonicContact OD2-CE1 3.94Å; D165-H168 IonicContact OD2-CG 2.86Å; D165-H168 IonicContact OD2-ND1 3.78Å; D165-H168 PolarHBondContact OD2-ND1 3.37Å; D165-R169 WeakPolarHBondContact O-CA 3.26Å; D165-R169 PolarHBondContact O-N 3.44Å; D165-K170 HydrophobicContact CB-CB 4.2Å; D165-K170 PolarHBondContact N-O 2.86Å; D165-K170 PolarHBondContact O-N 3.44Å
166	H	94.7	Very high	96.3	Very high	56 Å²	56	43.6 Å²	43.6	26%	0.259	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-36.2	-172.7	-172.2	52.6	0	0	0	112.4	L124 Y136 I164 H168 R169	L124-H166 HydrophobicContact CD1-CB 3.86Å; L124-H166 HydrophobicContact CD2-CB 4.42Å; Y136-H166 AromaticContact CE2-ND1 3.64Å; Y136-H166 AromaticContact CZ-ND1 3.66Å; Y136-H166 WeakPolarHBondContact OH-CA 3.38Å; Y136-H166 PolarHBondContact OH-ND1 2.78Å; I164-H166 HydrophobicContact CG2-CB 4.33Å; H166-H168 VanDerWaalsContact C-N 3.33Å; H166-H168 PolarHBondContact O-N 2.86Å; H166-R169 PolarHBondContact O-N 3.12Å
167	E	92.9	Very high	96.2	Very high	164 Å²	164	43.4 Å²	43.4	77%	0.766	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-44.7	177.5	-177.3	177.9	-168.2	0	0	111.4	D165	D165-E167 PolarHBondContact OD1-N 2.63Å
168	H	94.5	Very high	96.2	Very high	98 Å²	98	45 Å²	45	45%	0.454	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.7	-178.6	-56.9	92.2	0	0	0	113.9	D165 H166 K170	D165-H168 VanDerWaalsContact CG-ND1 3.25Å; D165-H168 IonicContact OD1-CE1 3.82Å; D165-H168 IonicContact OD1-CG 3.18Å; D165-H168 PolarHBondContact OD1-N 2.88Å; D165-H168 VanDerWaalsContact OD1-N 3.08Å; D165-H168 IonicContact OD1-ND1 3.55Å; D165-H168 PolarHBondContact OD1-ND1 2.81Å; D165-H168 IonicContact OD2-CE1 3.94Å; D165-H168 IonicContact OD2-CG 2.86Å; D165-H168 IonicContact OD2-ND1 3.78Å; D165-H168 PolarHBondContact OD2-ND1 3.37Å; H166-H168 VanDerWaalsContact C-N 3.33Å; H166-H168 PolarHBondContact O-N 2.86Å; H168-K170 HydrophobicContact CB-CD 4.24Å; H168-K170 HydrophobicContact CB-CG 4.17Å; H168-K170 PolarHBondContact O-N 2.79Å
169	R	94.2	Very high	96.3	Very high	80 Å²	80	43.6 Å²	43.6	30%	0.302	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	38.2	-174.1	-55.2	-168.8	71.9	81.1	-2.1	113.8	D132 F135 D165 H166	D132-R169 IonicContact OD1-CZ 3.61Å; D132-R169 IonicContact OD1-NH1 3.17Å; D132-R169 PolarHBondContact OD1-NH1 2.9Å; D132-R169 IonicContact OD1-NH2 3.59Å; D132-R169 PolarHBondContact OD1-NH2 3.34Å; F135-R169 VanDerWaalsContact CB-NH2 3.29Å; F135-R169 VanDerWaalsContact CD1-NH2 3.28Å; F135-R169 HydrophobicContact CE1-CB 3.81Å; F135-R169 HydrophobicContact CZ-CB 3.85Å; D165-R169 WeakPolarHBondContact O-CA 3.26Å; D165-R169 PolarHBondContact O-N 3.44Å; H166-R169 PolarHBondContact O-N 3.12Å
170	K	95.2	Very high	96.4	Very high	119 Å²	119	44 Å²	44	52%	0.517	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.9	177.9	-66.1	177.8	176.3	173.6	0	111.3	D165 H168	D165-K170 HydrophobicContact CB-CB 4.2Å; D165-K170 PolarHBondContact N-O 2.86Å; D165-K170 PolarHBondContact O-N 3.44Å; H168-K170 HydrophobicContact CB-CD 4.24Å; H168-K170 HydrophobicContact CB-CG 4.17Å; H168-K170 PolarHBondContact O-N 2.79Å
171	L	97.2	Very high	96.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144	178.9	-172.7	145.1	0	0	0	111	N93 Y136 E139 I140 V162 M163 I164	N93-L171 HydrophobicContact CB-CD2 4.07Å; N93-L171 PolarHBondContact OD1-O 3.33Å; Y136-L171 HydrophobicContact CD1-CD1 3.81Å; Y136-L171 HydrophobicContact CG-CD1 4.42Å; E139-L171 HydrophobicContact CB-CB 4.17Å; E139-L171 HydrophobicContact CB-CD1 4.23Å; I140-L171 HydrophobicContact CD1-CD1 4.29Å; I140-L171 HydrophobicContact CG1-CD1 3.66Å; I140-L171 HydrophobicContact CG1-CD2 3.98Å; I140-L171 HydrophobicContact CG1-CG 4.48Å; V162-L171 HydrophobicContact CG1-CD1 3.52Å; V162-L171 HydrophobicContact CG1-CD2 4.1Å; V162-L171 HydrophobicContact CG1-CG 3.74Å; M163-L171 CarbonylContact O-C 3.53Å; M163-L171 WeakPolarHBondContact O-CA 3.2Å; I164-L171 HydrophobicContact CD1-CD1 4.36Å; I164-L171 HydrophobicContact CG1-CD1 4.17Å; I164-L171 HydrophobicContact CG1-CG 4.47Å
172	R	98.3	Very high	96.8	Very high	55 Å²	55	37.2 Å²	37.2	21%	0.208	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.7	167.7	-67.6	-65.9	-171.4	-88.7	-3.8	111.1	N93 I95 E114 V116 M163 I174	N93-R172 CarbonylContact O-C 3.27Å; N93-R172 WeakPolarHBondContact O-CA 3.13Å; I95-R172 HydrophobicContact CD1-CB 4.29Å; I95-R172 HydrophobicContact CD1-CG 4.27Å; E114-R172 IonicContact OE1-CZ 3.73Å; E114-R172 IonicContact OE1-NE 3.81Å; E114-R172 PolarHBondContact OE1-NE 3.03Å; E114-R172 IonicContact OE1-NH2 2.67Å; E114-R172 IonicContact OE2-CZ 2.65Å; E114-R172 IonicContact OE2-NE 3.74Å; E114-R172 IonicContact OE2-NH2 3.95Å; E114-R172 PolarHBondContact OE2-NH2 3.32Å; V116-R172 HydrophobicContact CG1-CB 4.46Å; V116-R172 HydrophobicContact CG1-CG 4.13Å; V116-R172 HydrophobicContact CG2-CB 4.35Å; V116-R172 HydrophobicContact CG2-CG 3.84Å; M163-R172 HydrophobicContact CB-CB 4.37Å; M163-R172 PolarHBondContact N-O 2.7Å; M163-R172 PolarHBondContact O-N 3.17Å; R172-I174 HydrophobicContact CB-CG2 4.28Å
173	L	98.6	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.4	164.6	-175.7	61.6	0	0	0	108.9	N93 I95 A143 L144 N161 V162 W176	N93-L173 PolarHBondContact O-N 2.78Å; I95-L173 PolarHBondContact N-O 2.98Å; A143-L173 HydrophobicContact CB-CB 4.12Å; A143-L173 HydrophobicContact CB-CD2 4.15Å; L144-L173 HydrophobicContact CD2-CD2 3.86Å; N161-L173 WeakPolarHBondContact O-CD1 3.38Å; V162-L173 HydrophobicContact CG2-CD1 4.21Å; L173-W176 HydrophobicContact CB-CZ2 4.42Å; L173-W176 HydrophobicContact CD2-CH2 3.93Å; L173-W176 HydrophobicContact CD2-CZ2 3.79Å; L173-W176 HydrophobicContact CG-CZ2 4.03Å; L173-W176 PolarHBondContact O-NE1 3.06Å
174	I	98	Very high	97	Very high	32 Å²	32	37.9 Å²	37.9	16%	0.164	18%	0.176	C	C	.	.			trans	-120.8	173.8	-172.9	67.7	151.2	0	0	0	112.2	I95 H154 N161 M163 R172	I95-I174 HydrophobicContact CB-CG2 3.95Å; I95-I174 HydrophobicContact CD1-CG2 4.18Å; I95-I174 HydrophobicContact CG1-CG2 4.17Å; I95-I174 HydrophobicContact CG2-CB 4.44Å; I95-I174 HydrophobicContact CG2-CG2 4.3Å; H154-I174 PolarHBondContact NE2-O 3.13Å; N161-I174 HydrophobicContact CB-CG1 4.21Å; N161-I174 VanDerWaalsContact O-CG1 3.24Å; N161-I174 WeakPolarHBondContact O-CG1 3.04Å; N161-I174 PolarHBondContact O-N 3.36Å; M163-I174 HydrophobicContact CB-CG2 4.39Å; M163-I174 HydrophobicContact CE-CD1 3.31Å; M163-I174 HydrophobicContact CE-CG1 4.33Å; M163-I174 HydrophobicContact CG-CD1 4Å; M163-I174 HydrophobicContact CG-CG1 4.2Å; M163-I174 HydrophobicContact CG-CG2 3.71Å; M163-I174 HydrophobicContact SD-CD1 4.49Å; R172-I174 HydrophobicContact CB-CG2 4.28Å
175	D	96.5	Very high	97.1	Very high	53 Å²	53	39.8 Å²	39.8	28%	0.283	20%	0.197	S	C	.	.			trans	60.2	67.8	174.9	-160.8	10.2	0	0	0	115.1	K68 G177	K68-D175 IonicContact NZ-OD1 3.15Å; K68-D175 PolarHBondContact NZ-OD1 2.73Å; D175-G177 PolarHBondContact O-N 3.39Å
176	W	98.4	Very high	97.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-78.6	12.6	176.3	-62.3	83.8	0	0	0	113.8	I84 L85 L88 V94 I152 H154 L173 L178 A179	I84-W176 HydrophobicContact CG2-CB 4.08Å; I84-W176 HydrophobicContact CG2-CD2 4.28Å; I84-W176 HydrophobicContact CG2-CE3 3.86Å; I84-W176 HydrophobicContact CG2-CG 4.39Å; L85-W176 HydrophobicContact CD2-CB 4.2Å; L85-W176 VanDerWaalsContact CD2-CD1 3.48Å; L85-W176 HydrophobicContact CD2-CG 3.96Å; L85-W176 HydrophobicContact CG-CB 4.31Å; L88-W176 HydrophobicContact CD1-CD2 3.94Å; L88-W176 HydrophobicContact CD1-CE3 3.53Å; L88-W176 HydrophobicContact CD1-CH2 3.53Å; L88-W176 HydrophobicContact CD1-CZ2 3.91Å; L88-W176 HydrophobicContact CD1-CZ3 3.32Å; V94-W176 HydrophobicContact CB-CZ2 4.47Å; V94-W176 HydrophobicContact CG1-CZ2 3.81Å; V94-W176 HydrophobicContact CG2-CZ2 4.05Å; I152-W176 HydrophobicContact CG2-CE3 4.28Å; I152-W176 HydrophobicContact CG2-CZ3 4.09Å; H154-W176 HydrophobicContact CB-CZ3 4.1Å; H154-W176 AromaticContact CD2-CD2 3.72Å; H154-W176 AromaticContact CD2-CE2 3.8Å; H154-W176 AromaticContact CD2-CE3 3.62Å; H154-W176 AromaticContact CD2-CH2 3.73Å; H154-W176 AromaticContact CD2-CZ2 3.83Å; H154-W176 AromaticContact CD2-CZ3 3.62Å; L173-W176 HydrophobicContact CB-CZ2 4.42Å; L173-W176 HydrophobicContact CD2-CH2 3.93Å; L173-W176 HydrophobicContact CD2-CZ2 3.79Å; L173-W176 HydrophobicContact CG-CZ2 4.03Å; L173-W176 PolarHBondContact O-NE1 3.06Å; W176-L178 PolarHBondContact O-N 3.42Å; W176-A179 HydrophobicContact CB-CB 4.23Å; W176-A179 HydrophobicContact CE3-CB 3.8Å; W176-A179 VanDerWaalsContact O-CB 3.24Å; W176-A179 WeakPolarHBondContact O-CB 3.17Å; W176-A179 PolarHBondContact O-N 2.89Å
177	G	97.4	Very high	97.5	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.031	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-68.1	-18.5	-175.6	0	0	0	0	0	114.9	K77 R80 E81 D175	K77-G177 WeakPolarHBondContact CE-O 3.47Å; R80-G177 PolarHBondContact NH2-O 3.12Å; E81-G177 VanDerWaalsContact CD-CA 3.45Å; E81-G177 WeakPolarHBondContact OE2-CA 3.38Å; D175-G177 PolarHBondContact O-N 3.39Å
178	L	97.9	Very high	97.8	Very high	34 Å²	34	37.9 Å²	37.9	18%	0.178	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-101.4	-5.4	172.3	-66.5	-174.6	0	0	0	113.7	H154 R155 D156 W176	H154-L178 CarbonylContact O-C 3.57Å; R155-L178 VanDerWaalsContact CZ-O 3.24Å; R155-L178 PolarHBondContact NE-O 3.19Å; R155-L178 PolarHBondContact NH2-O 3.46Å; D156-L178 HydrophobicContact CB-CB 4.26Å; D156-L178 HydrophobicContact CB-CD1 3.94Å; W176-L178 PolarHBondContact O-N 3.42Å
179	A	98.8	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.			trans	-62.7	161.5	179.6	0	0	0	0	0	112.3	R80 I84 I152 M153 H154 W176	R80-A179 WeakPolarHBondContact CD-O 3.45Å; R80-A179 PolarHBondContact NE-O 3.26Å; R80-A179 VanDerWaalsContact NE-O 3.08Å; I84-A179 HydrophobicContact CD1-CB 3.66Å; I84-A179 HydrophobicContact CG2-CB 4.18Å; I152-A179 HydrophobicContact CG2-CB 4.17Å; M153-A179 CarbonylContact O-C 3.52Å; M153-A179 WeakPolarHBondContact O-CA 3.49Å; M153-A179 WeakPolarHBondContact O-CB 3.29Å; H154-A179 WeakPolarHBondContact O-CA 3.36Å; H154-A179 PolarHBondContact O-N 2.7Å; W176-A179 HydrophobicContact CB-CB 4.23Å; W176-A179 HydrophobicContact CE3-CB 3.8Å; W176-A179 VanDerWaalsContact O-CB 3.24Å; W176-A179 WeakPolarHBondContact O-CB 3.17Å; W176-A179 PolarHBondContact O-N 2.89Å
180	E	98.9	Very high	98.1	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153	179.9	-164.7	61.8	-94.9	0	0	112.1	Y26 R80 I152 M153 R155 Y188	Y26-E180 VanDerWaalsContact CE1-OE1 3.28Å; Y26-E180 WeakPolarHBondContact CE1-OE1 3.42Å; Y26-E180 PolarHBondContact OH-OE1 3.21Å; R80-E180 VanDerWaalsContact CD-CD 3.47Å; R80-E180 WeakPolarHBondContact CD-OE1 3.45Å; R80-E180 VanDerWaalsContact CD-OE2 3.29Å; R80-E180 WeakPolarHBondContact CD-OE2 3.31Å; R80-E180 IonicContact CZ-OE2 2.97Å; R80-E180 IonicContact NE-OE2 3.74Å; R80-E180 IonicContact NH1-OE2 2.89Å; R80-E180 PolarHBondContact NH1-OE2 3.04Å; I152-E180 WeakPolarHBondContact CA-O 3.46Å; M153-E180 HydrophobicContact CE-CB 4.38Å; M153-E180 PolarHBondContact N-O 2.77Å; M153-E180 PolarHBondContact O-N 3.41Å; R155-E180 IonicContact NH2-OE2 4Å; E180-Y188 HydrophobicContact CB-CE1 4.47Å; E180-Y188 HydrophobicContact CG-CD1 3.88Å; E180-Y188 HydrophobicContact CG-CE1 3.6Å
181	F	98.9	Very high	98.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.2	169.5	-65.8	-85.5	0	0	0	110.9	Y23 W24 Y26 K83 I84 N87 G151 I152 Y188	Y23-F181 HydrophobicContact CD1-CE1 4.18Å; Y23-F181 HydrophobicContact CE1-CD1 4.3Å; Y23-F181 AromaticContact CE1-CE1 3.9Å; Y23-F181 HydrophobicContact CE1-CE1 3.9Å; W24-F181 HydrophobicContact CB-CB 4.22Å; W24-F181 HydrophobicContact CB-CD1 3.7Å; W24-F181 HydrophobicContact CB-CD2 4.35Å; W24-F181 HydrophobicContact CB-CE1 4.12Å; W24-F181 HydrophobicContact CB-CG 3.83Å; Y26-F181 AromaticContact CD1-CD2 3.73Å; Y26-F181 HydrophobicContact CD1-CD2 3.73Å; Y26-F181 AromaticContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CE1-CD2 4.08Å; K83-F181 HydrophobicContact CG-CE2 4.45Å; K83-F181 HydrophobicContact CG-CZ 4.16Å; I84-F181 HydrophobicContact CD1-CD2 4.42Å; I84-F181 HydrophobicContact CD1-CE2 4.14Å; I84-F181 HydrophobicContact CG1-CD2 4.24Å; I84-F181 HydrophobicContact CG1-CE1 4.48Å; I84-F181 HydrophobicContact CG1-CE2 3.53Å; I84-F181 HydrophobicContact CG1-CZ 3.68Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.38Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.49Å; G151-F181 CarbonylContact O-C 3.39Å; G151-F181 WeakPolarHBondContact O-CA 3.5Å; I152-F181 HydrophobicContact CD1-CD1 4.36Å; I152-F181 HydrophobicContact CD1-CE1 3.81Å; I152-F181 HydrophobicContact CD1-CZ 4.32Å; I152-F181 HydrophobicContact CG1-CD1 3.76Å; I152-F181 HydrophobicContact CG1-CE1 3.72Å; I152-F181 HydrophobicContact CG1-CG 4.5Å; I152-F181 HydrophobicContact CG1-CZ 4.42Å; F181-Y188 WeakPolarHBondContact O-CE1 3.38Å; F181-Y188 PolarHBondContact O-OH 2.93Å
182	Y	98.9	Very high	98.3	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.024	20%	0.197	C	C	.	.			trans	-79.6	131.9	173.9	178.8	-100.7	0	0	0	111.5	R8 A9 T13 N16 G151 M153 P184 Y188 D210 Y211	R8-Y182 WeakPolarHBondContact CA-OH 3.34Å; A9-Y182 HydrophobicContact CB-CD1 4.39Å; A9-Y182 HydrophobicContact CB-CE1 3.73Å; A9-Y182 HydrophobicContact CB-CE2 4.37Å; A9-Y182 PolarHBondContact N-OH 3.26Å; T13-Y182 HydrophobicContact CG2-CE1 4.34Å; T13-Y182 WeakPolarHBondContact O-CE1 3.28Å; N16-Y182 PolarHBondContact ND2-N 3.02Å; N16-Y182 PolarHBondContact ND2-O 3.32Å; G151-Y182 PolarHBondContact O-N 3.05Å; M153-Y182 HydrophobicContact CE-CD2 4.21Å; M153-Y182 HydrophobicContact SD-CD2 4.22Å; Y182-P184 HydrophobicContact CE1-CB 4.3Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.42Å; Y182-Y188 HydrophobicContact CD2-CE2 4.18Å; Y182-Y188 HydrophobicContact CE2-CE2 4.48Å; Y182-D210 HydrophobicContact CD2-CB 3.84Å; Y182-D210 HydrophobicContact CE2-CB 3.42Å; Y182-D210 VanDerWaalsContact CE2-CB 3.42Å; Y182-Y211 VanDerWaalsContact CB-CZ 3.43Å; Y182-Y211 VanDerWaalsContact CB-OH 3.3Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.47Å; Y182-Y211 HydrophobicContact CD1-CE1 4.5Å; Y182-Y211 AromaticContact CD1-CE2 3.75Å; Y182-Y211 HydrophobicContact CD1-CE2 3.75Å; Y182-Y211 AromaticContact CD1-CZ 3.58Å; Y182-Y211 WeakPolarHBondContact CD1-OH 3.42Å; Y182-Y211 HydrophobicContact CE1-CE2 4.29Å; Y182-Y211 HydrophobicContact CG-CE1 4.07Å; Y182-Y211 AromaticContact CG-CE2 3.94Å; Y182-Y211 HydrophobicContact CG-CE2 3.94Å; Y182-Y211 AromaticContact CG-CZ 3.58Å
183	H	98.9	Very high	98.2	Very high	33 Å²	33	38 Å²	38	15%	0.153	19%	0.193	C	C	.	.			trans	-136.2	131.4	172.2	-63.8	-80.8	0	0	0	107.6	W24 G185 Q186 Y188	W24-H183 AromaticContact CD2-CE1 3.51Å; W24-H183 AromaticContact CD2-NE2 3.92Å; W24-H183 AromaticContact CE3-CE1 3.74Å; W24-H183 AromaticContact CE3-NE2 3.8Å; W24-H183 AromaticContact CG-CE1 3.64Å; H183-G185 PolarHBondContact O-N 2.96Å; H183-Q186 HydrophobicContact CB-CB 4.09Å; H183-Q186 PolarHBondContact CD2-OE1 2.94Å; H183-Q186 VanDerWaalsContact O-CB 3.26Å; H183-Q186 WeakPolarHBondContact O-CB 3.1Å; H183-Q186 PolarHBondContact O-N 3.28Å; H183-Q186 VanDerWaalsContact O-N 3.12Å; H183-Y188 PolarHBondContact N-OH 3.39Å
184	P	98.7	Very high	98.1	Very high	30 Å²	30	39.8 Å²	39.8	20%	0.195	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	133.1	-173.8	28.7	-35.1	0	0	0	111.2	R8 T13 Y182 Q186	R8-P184 HydrophobicContact CG-CB 4.32Å; R8-P184 VanDerWaalsContact NH1-CB 3.29Å; T13-P184 HydrophobicContact CG2-CB 4.14Å; Y182-P184 HydrophobicContact CE1-CB 4.3Å; P184-Q186 VanDerWaalsContact C-N 3.26Å; P184-Q186 PolarHBondContact O-N 2.77Å
185	G	97.8	Very high	98.1	Very high	44 Å²	44	42.6 Å²	42.6	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	1.1	-175.3	0	0	0	0	0	114.6	H183	H183-G185 PolarHBondContact O-N 2.96Å
186	Q	98.6	Very high	98.2	Very high	72 Å²	72	43.1 Å²	43.1	34%	0.336	21%	0.213	S	C	.	.			trans	-75.2	134.1	172.5	-179.4	170.4	-14.9	0	0	110.8	H183 P184 Y188	H183-Q186 HydrophobicContact CB-CB 4.09Å; H183-Q186 PolarHBondContact CD2-OE1 2.94Å; H183-Q186 VanDerWaalsContact O-CB 3.26Å; H183-Q186 WeakPolarHBondContact O-CB 3.1Å; H183-Q186 PolarHBondContact O-N 3.28Å; H183-Q186 VanDerWaalsContact O-N 3.12Å; P184-Q186 VanDerWaalsContact C-N 3.26Å; P184-Q186 PolarHBondContact O-N 2.77Å; Q186-Y188 HydrophobicContact CB-CE1 4.47Å; Q186-Y188 HydrophobicContact CB-CE2 3.94Å; Q186-Y188 VanDerWaalsContact CD-CE1 3.49Å; Q186-Y188 HydrophobicContact CG-CD1 4.36Å; Q186-Y188 HydrophobicContact CG-CE1 3.87Å; Q186-Y188 HydrophobicContact CG-CE2 4.09Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.5Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.44Å; Q186-Y188 PolarHBondContact OE1-OH 3.43Å
187	E	98.8	Very high	98.3	Very high	115 Å²	115	44 Å²	44	54%	0.537	22%	0.217	S	C	.	.			trans	-85.5	129.6	168.7	-69.8	176.7	165.8	0	0	110.3	Q207 M208	E187-Q207 HydrophobicContact CB-CB 3.89Å; E187-Q207 HydrophobicContact CG-CB 4.1Å; E187-M208 HydrophobicContact CG-CG 3.85Å
188	Y	98.7	Very high	98.3	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.027	22%	0.218	C	C	.	.			trans	-112.5	148.1	-178.2	-64.4	-78.8	0	0	0	111.9	M153 E180 F181 Y182 H183 Q186 V190 Q207 Y209	M153-Y188 HydrophobicContact CE-CD1 4.19Å; M153-Y188 HydrophobicContact CE-CD2 4.2Å; M153-Y188 HydrophobicContact CE-CE1 3.86Å; M153-Y188 HydrophobicContact CE-CE2 3.88Å; M153-Y188 HydrophobicContact CE-CG 4.36Å; E180-Y188 HydrophobicContact CB-CE1 4.47Å; E180-Y188 HydrophobicContact CG-CD1 3.88Å; E180-Y188 HydrophobicContact CG-CE1 3.6Å; F181-Y188 WeakPolarHBondContact O-CE1 3.38Å; F181-Y188 PolarHBondContact O-OH 2.93Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.42Å; Y182-Y188 HydrophobicContact CD2-CE2 4.18Å; Y182-Y188 HydrophobicContact CE2-CE2 4.48Å; H183-Y188 PolarHBondContact N-OH 3.39Å; Q186-Y188 HydrophobicContact CB-CE1 4.47Å; Q186-Y188 HydrophobicContact CB-CE2 3.94Å; Q186-Y188 VanDerWaalsContact CD-CE1 3.49Å; Q186-Y188 HydrophobicContact CG-CD1 4.36Å; Q186-Y188 HydrophobicContact CG-CE1 3.87Å; Q186-Y188 HydrophobicContact CG-CE2 4.09Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.5Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.44Å; Q186-Y188 PolarHBondContact OE1-OH 3.43Å; Y188-V190 PolarHBondContact O-N 2.96Å; Y188-Q207 PolarHBondContact N-O 3.16Å; Y188-Y209 VanDerWaalsContact CB-OH 3.3Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.43Å; Y188-Y209 HydrophobicContact CD2-CE2 4.45Å; Y188-Y209 HydrophobicContact CG-CE2 4.3Å
189	N	98.3	Very high	98.4	Very high	98 Å²	98	42.8 Å²	42.8	52%	0.524	21%	0.209	S	C	.	.			trans	-62.7	126.6	174.6	-171.4	-25.6	0	0	0	111.2	R191 Y209	N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 2.93Å; N189-R191 VanDerWaalsContact OD1-CB 3.25Å; N189-R191 WeakPolarHBondContact OD1-CB 3.37Å; N189-R191 WeakPolarHBondContact OD1-CG 3.25Å; N189-R191 PolarHBondContact OD1-N 2.87Å; N189-Y209 PolarHBondContact O-OH 2.74Å
190	V	98.4	Very high	98.4	Very high	15 Å²	15	42.8 Å²	42.8	9%	0.091	21%	0.209	C	C	.	.	S	Bend	trans	-81.2	-9.7	-179.8	-61.7	0	0	0	0	114.5	Y188 V192 K198 L202 D205 Q207 Y209	Y188-V190 PolarHBondContact O-N 2.96Å; V190-V192 PolarHBondContact O-N 3.07Å; V190-K198 PolarHBondContact O-NZ 3Å; V190-L202 HydrophobicContact CB-CB 4.36Å; V190-L202 HydrophobicContact CB-CD2 4.11Å; V190-L202 HydrophobicContact CG1-CD2 4.22Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.42Å; V190-Q207 HydrophobicContact CG1-CG 4.06Å; V190-Y209 HydrophobicContact CG1-CE1 4.18Å
191	R	97.6	Very high	98.4	Very high	219 Å²	219	42.2 Å²	42.2	83%	0.826	21%	0.206	S	C	*	.			trans	-81.4	46.3	179.5	-55.7	-178.8	-176.9	174.5	1.3	112	N189	N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 2.93Å; N189-R191 VanDerWaalsContact OD1-CB 3.25Å; N189-R191 WeakPolarHBondContact OD1-CB 3.37Å; N189-R191 WeakPolarHBondContact OD1-CG 3.25Å; N189-R191 PolarHBondContact OD1-N 2.87Å
192	V	97.9	Very high	98.4	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	21%	0.209	C	C	.	.			trans	-116.1	174.4	175.3	-62	0	0	0	0	110.4	R155 V190 K198 L202 L213	R155-V192 HydrophobicContact CB-CB 4.25Å; R155-V192 HydrophobicContact CB-CG2 4.14Å; V190-V192 PolarHBondContact O-N 3.07Å; V192-K198 PolarHBondContact O-NZ 3.24Å; V192-L202 HydrophobicContact CG2-CD1 3.77Å; V192-L202 HydrophobicContact CG2-CD2 4.17Å; V192-L213 HydrophobicContact CG2-CD2 4.29Å
193	A	96.9	Very high	98.4	Very high	15 Å²	15	43.1 Å²	43.1	12%	0.124	21%	0.211	C	C	.	.	S	Bend	trans	59.3	157.7	-174	0	0	0	0	0	115.8	R155 D156 K198 L202	R155-A193 VanDerWaalsContact O-CA 3.31Å; R155-A193 WeakPolarHBondContact O-CA 3.38Å; R155-A193 WeakPolarHBondContact O-CB 3.34Å; R155-A193 PolarHBondContact O-N 3.22Å; D156-A193 WeakPolarHBondContact OD1-CA 3.32Å; A193-K198 HydrophobicContact CB-CG 4.14Å; A193-L202 HydrophobicContact CB-CD1 4.17Å
194	S	96.6	Very high	98.4	Very high	38 Å²	38	41.8 Å²	41.8	27%	0.266	21%	0.206	S	C	.	.			trans	-79.9	143	170.9	-56.2	0	0	0	0	110.3	D156 K158 Y196 F197 K198	D156-S194 PolarHBondContact OD1-N 3.25Å; D156-S194 VanDerWaalsContact OD1-N 3.09Å; D156-S194 PolarHBondContact OD1-OG 2.89Å; D156-S194 VanDerWaalsContact OD1-OG 3.13Å; K158-S194 WeakPolarHBondContact CD-OG 3.17Å; K158-S194 PolarHBondContact NZ-OG 3.34Å; S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.94Å; S194-F197 PolarHBondContact O-N 3.32Å; S194-K198 PolarHBondContact O-N 3.3Å
195	R	98.3	Very high	98.3	Very high	92 Å²	92	44.9 Å²	44.9	35%	0.347	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-42.4	-51.7	-167.5	-174	-169	-61	144.2	-2.3	114.4	F197 K198 G235 H236 Q241	R195-F197 PolarHBondContact O-N 2.86Å; R195-F197 VanDerWaalsContact O-N 3.16Å; R195-K198 WeakPolarHBondContact O-CB 3.17Å; R195-K198 PolarHBondContact O-N 3.5Å; R195-G235 WeakPolarHBondContact CD-O 3.11Å; R195-G235 PolarHBondContact NH1-O 3Å; R195-H236 PolarHBondContact NH1-O 2.99Å; R195-H236 PolarHBondContact NH2-O 3.35Å; R195-Q241 HydrophobicContact CG-CB 4.2Å; R195-Q241 HydrophobicContact CG-CG 4.23Å
196	Y	98.6	Very high	98.4	Very high	63 Å²	63	42.9 Å²	42.9	25%	0.247	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-68.3	-13.8	-173.7	-51.3	-41.6	0	0	0	114.7	S194 P231 F233 H234 G235	S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.94Å; Y196-P231 HydrophobicContact CD1-CB 4.2Å; Y196-P231 HydrophobicContact CD1-CG 3.91Å; Y196-P231 HydrophobicContact CD2-CB 3.57Å; Y196-P231 HydrophobicContact CD2-CG 3.53Å; Y196-P231 HydrophobicContact CE1-CG 4.08Å; Y196-P231 HydrophobicContact CE2-CB 4.25Å; Y196-P231 HydrophobicContact CE2-CG 3.69Å; Y196-P231 HydrophobicContact CG-CB 3.54Å; Y196-P231 HydrophobicContact CG-CG 3.64Å; Y196-F233 VanDerWaalsContact CD1-O 3.3Å; Y196-F233 WeakPolarHBondContact CD1-O 3.31Å; Y196-H234 AromaticContact CE1-CD2 3.58Å; Y196-H234 AromaticContact CZ-CD2 3.59Å; Y196-H234 AromaticContact CZ-NE2 3.84Å; Y196-H234 PolarHBondContact OH-CD2 3.29Å; Y196-H234 PolarHBondContact OH-NE2 3.08Å; Y196-G235 WeakPolarHBondContact CE1-O 3.27Å
197	F	98.7	Very high	98.4	Very high	19 Å²	19	42.7 Å²	42.7	8%	0.083	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-113.3	2.7	-177.3	-56.6	-83.2	0	0	0	112.5	K158 P159 S194 R195 G199 S217 C220 M221	K158-F197 HydrophobicContact CB-CD1 4.3Å; K158-F197 HydrophobicContact CB-CD2 3.69Å; K158-F197 HydrophobicContact CB-CE1 4.37Å; K158-F197 HydrophobicContact CB-CE2 3.75Å; K158-F197 HydrophobicContact CB-CG 3.99Å; K158-F197 HydrophobicContact CB-CZ 4.12Å; P159-F197 HydrophobicContact CG-CE1 4.4Å; P159-F197 HydrophobicContact CG-CZ 4Å; S194-F197 PolarHBondContact O-N 3.32Å; R195-F197 PolarHBondContact O-N 2.86Å; R195-F197 VanDerWaalsContact O-N 3.16Å; F197-G199 PolarHBondContact O-N 3.28Å; F197-S217 PolarHBondContact O-OG 2.81Å; F197-C220 HydrophobicContact CD1-CB 3.76Å; F197-C220 HydrophobicContact CE1-CB 4.15Å; F197-M221 HydrophobicContact CD1-CG 4.1Å; F197-M221 HydrophobicContact CE1-CG 3.62Å
198	K	98.9	Very high	98.4	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.057	18%	0.178	C	C	.	.			trans	-66	126.7	175.6	-72.5	179.4	169.4	-72.5	0	110.2	V190 V192 A193 S194 R195 L202 L203 W216	V190-K198 PolarHBondContact O-NZ 3Å; V192-K198 PolarHBondContact O-NZ 3.24Å; A193-K198 HydrophobicContact CB-CG 4.14Å; S194-K198 PolarHBondContact O-N 3.3Å; R195-K198 WeakPolarHBondContact O-CB 3.17Å; R195-K198 PolarHBondContact O-N 3.5Å; K198-L202 HydrophobicContact CB-CB 4.34Å; K198-L202 HydrophobicContact CB-CD1 4.2Å; K198-L202 HydrophobicContact CG-CD1 4.08Å; K198-L203 HydrophobicContact CB-CD2 3.9Å; K198-L203 HydrophobicContact CB-CG 4.17Å; K198-L203 HydrophobicContact CD-CD2 3.69Å; K198-L203 HydrophobicContact CG-CD2 4.46Å; K198-W216 PolarHBondContact O-NE1 2.7Å
199	G	98.8	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.			trans	-64.1	152.4	167.6	0	0	0	0	0	112	F197 E201 L202 L203	F197-G199 PolarHBondContact O-N 3.28Å; G199-E201 VanDerWaalsContact C-OE2 3.26Å; G199-E201 WeakPolarHBondContact CA-OE2 3.29Å; G199-E201 PolarHBondContact O-N 2.97Å; G199-L202 WeakPolarHBondContact O-CB 3.46Å; G199-L202 PolarHBondContact O-N 2.77Å; G199-L203 PolarHBondContact O-N 3.21Å
200	P	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-49.7	-39.2	175.1	-30	37.4	0	0	0	113.2	L202 L203 V204 W216 L242 Y307	P200-L202 PolarHBondContact O-N 3.31Å; P200-L203 WeakPolarHBondContact O-CA 3.46Å; P200-L203 PolarHBondContact O-N 3.2Å; P200-V204 WeakPolarHBondContact O-CG2 3.45Å; P200-V204 PolarHBondContact O-N 3.32Å; P200-W216 HydrophobicContact CG-CD2 4.49Å; P200-W216 HydrophobicContact CG-CE3 4.2Å; P200-W216 HydrophobicContact CG-CH2 3.73Å; P200-W216 HydrophobicContact CG-CZ2 4.05Å; P200-W216 HydrophobicContact CG-CZ3 3.81Å; P200-L242 HydrophobicContact CB-CD1 4.5Å; P200-Y307 HydrophobicContact CB-CD1 3.83Å; P200-Y307 HydrophobicContact CB-CE1 4.46Å; P200-Y307 HydrophobicContact CG-CD1 3.66Å; P200-Y307 HydrophobicContact CG-CE1 4.18Å
201	E	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-52.9	-36	175.6	60.6	-89.6	-142.1	0	0	113	G199 D205 Y206 Y209 L213 R312	G199-E201 VanDerWaalsContact C-OE2 3.26Å; G199-E201 WeakPolarHBondContact CA-OE2 3.29Å; G199-E201 PolarHBondContact O-N 2.97Å; E201-D205 PolarHBondContact O-N 2.73Å; E201-Y206 HydrophobicContact CB-CD1 4.35Å; E201-Y206 PolarHBondContact O-N 3.42Å; E201-Y209 HydrophobicContact CG-CG 4.39Å; E201-L213 HydrophobicContact CG-CD1 4.38Å; E201-L213 WeakPolarHBondContact OE1-CA 3.4Å; E201-R312 IonicContact OE1-CZ 3.64Å; E201-R312 IonicContact OE1-NH1 2.75Å; E201-R312 PolarHBondContact OE1-NH1 3.35Å; E201-R312 IonicContact OE1-NH2 2.67Å; E201-R312 IonicContact OE2-CZ 3.58Å; E201-R312 IonicContact OE2-NH1 3.79Å; E201-R312 PolarHBondContact OE2-NH1 3.39Å; E201-R312 IonicContact OE2-NH2 2.74Å; E201-R312 PolarHBondContact OE2-NH2 3.36Å
202	L	98.8	Very high	98.5	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-77.6	-24.9	177.6	-53.6	-169.7	0	0	0	113	V190 V192 A193 K198 G199 P200 Y209 L213	V190-L202 HydrophobicContact CB-CB 4.36Å; V190-L202 HydrophobicContact CB-CD2 4.11Å; V190-L202 HydrophobicContact CG1-CD2 4.22Å; V192-L202 HydrophobicContact CG2-CD1 3.77Å; V192-L202 HydrophobicContact CG2-CD2 4.17Å; A193-L202 HydrophobicContact CB-CD1 4.17Å; K198-L202 HydrophobicContact CB-CB 4.34Å; K198-L202 HydrophobicContact CB-CD1 4.2Å; K198-L202 HydrophobicContact CG-CD1 4.08Å; G199-L202 WeakPolarHBondContact O-CB 3.46Å; G199-L202 PolarHBondContact O-N 2.77Å; P200-L202 PolarHBondContact O-N 3.31Å; L202-Y209 HydrophobicContact CD2-CD1 3.88Å; L202-Y209 HydrophobicContact CD2-CE1 3.6Å; L202-Y209 HydrophobicContact CD2-CG 4.47Å; L202-L213 HydrophobicContact CD1-CD1 3.76Å; L202-L213 HydrophobicContact CD1-CD2 4.11Å; L202-L213 HydrophobicContact CD2-CD1 4.25Å; L202-L213 HydrophobicContact CD2-CD2 4.11Å; L202-L213 HydrophobicContact CG-CD1 3.81Å; L202-L213 HydrophobicContact CG-CD2 4.42Å
203	L	98.8	Very high	98.6	Very high	15 Å²	15	22.9 Å²	22.9	8%	0.079	11%	0.112	C	C	.	.	H	α-helix	trans	-89.1	-25.2	-175.6	-58.6	176.1	0	0	0	112	K198 G199 P200 N238 Q241 L242 I245	K198-L203 HydrophobicContact CB-CD2 3.9Å; K198-L203 HydrophobicContact CB-CG 4.17Å; K198-L203 HydrophobicContact CD-CD2 3.69Å; K198-L203 HydrophobicContact CG-CD2 4.46Å; G199-L203 PolarHBondContact O-N 3.21Å; P200-L203 WeakPolarHBondContact O-CA 3.46Å; P200-L203 PolarHBondContact O-N 3.2Å; L203-N238 HydrophobicContact CD2-CB 4.11Å; L203-Q241 HydrophobicContact CD1-CB 4.14Å; L203-Q241 HydrophobicContact CD1-CG 3.8Å; L203-Q241 HydrophobicContact CD2-CB 4.29Å; L203-Q241 HydrophobicContact CD2-CG 4.32Å; L203-L242 HydrophobicContact CB-CB 4.26Å; L203-L242 HydrophobicContact CB-CD1 4.37Å; L203-L242 HydrophobicContact CD1-CB 4.1Å; L203-L242 HydrophobicContact CD1-CD1 4.28Å; L203-I245 HydrophobicContact CD1-CD1 3.65Å
204	V	98.6	Very high	98.7	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.036	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	12.8	174	-53.6	0	0	0	0	113.1	P200 Y206 L242 Y257 I263 L265	P200-V204 WeakPolarHBondContact O-CG2 3.45Å; P200-V204 PolarHBondContact O-N 3.32Å; V204-Y206 VanDerWaalsContact C-N 3.33Å; V204-Y206 PolarHBondContact O-N 3.3Å; V204-L242 HydrophobicContact CG1-CD1 4.45Å; V204-L242 HydrophobicContact CG1-CD2 3.59Å; V204-Y257 HydrophobicContact CG2-CE1 3.99Å; V204-I263 HydrophobicContact CB-CG2 4.07Å; V204-I263 HydrophobicContact CG2-CD1 3.86Å; V204-I263 HydrophobicContact CG2-CG2 3.96Å; V204-I263 WeakPolarHBondContact O-CG2 3.35Å; V204-L265 HydrophobicContact CB-CD1 4.06Å; V204-L265 HydrophobicContact CG1-CD1 3.71Å
205	D	98.5	Very high	98.8	Very high	94 Å²	94	20.4 Å²	20.4	50%	0.503	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	35.1	178.4	-156.2	19.3	0	0	0	115.4	V190 E201 Q207	V190-D205 WeakPolarHBondContact CG2-OD1 3.42Å; E201-D205 PolarHBondContact O-N 2.73Å; D205-Q207 PolarHBondContact O-N 2.95Å; D205-Q207 PolarHBondContact OD1-NE2 3.19Å
206	Y	98.8	Very high	98.8	Very high	3 Å²	3	16 Å²	16	1%	0.012	8%	0.078	C	C	.	.			trans	-83	113	171.3	-174	-103.5	0	0	0	110.6	P4 V5 S7 E201 V204 M208 Y209 Y261 I263 H309	P4-Y206 HydrophobicContact CB-CD2 4.35Å; P4-Y206 HydrophobicContact CB-CE2 4.15Å; V5-Y206 WeakPolarHBondContact O-CE2 3.16Å; V5-Y206 PolarHBondContact O-OH 2.83Å; S7-Y206 WeakPolarHBondContact CB-OH 3.38Å; S7-Y206 PolarHBondContact N-OH 3.16Å; E201-Y206 HydrophobicContact CB-CD1 4.35Å; E201-Y206 PolarHBondContact O-N 3.42Å; V204-Y206 VanDerWaalsContact C-N 3.33Å; V204-Y206 PolarHBondContact O-N 3.3Å; Y206-M208 HydrophobicContact CE1-CB 4.07Å; Y206-M208 WeakPolarHBondContact CE1-O 3.26Å; Y206-Y209 WeakPolarHBondContact O-CD1 3.34Å; Y206-Y261 HydrophobicContact CE2-CD1 4.2Å; Y206-Y261 HydrophobicContact CE2-CG 4.3Å; Y206-Y261 AromaticContact CZ-CD1 3.9Å; Y206-I263 HydrophobicContact CD2-CD1 3.94Å; Y206-I263 HydrophobicContact CD2-CG1 3.84Å; Y206-I263 HydrophobicContact CG-CD1 4.12Å; Y206-I263 HydrophobicContact CG-CG1 4.48Å; Y206-H309 AromaticContact CE1-CE1 3.59Å; Y206-H309 AromaticContact CE1-NE2 3.97Å
207	Q	98.8	Very high	98.8	Very high	67 Å²	67	13 Å²	13	31%	0.313	7%	0.066	S	C	.	.			trans	-92.9	-20.2	-166.3	-59.4	-171.9	-21.7	0	0	114.7	E187 Y188 V190 D205 Y209	E187-Q207 HydrophobicContact CB-CB 3.89Å; E187-Q207 HydrophobicContact CG-CB 4.1Å; Y188-Q207 PolarHBondContact N-O 3.16Å; V190-Q207 HydrophobicContact CG1-CG 4.06Å; D205-Q207 PolarHBondContact O-N 2.95Å; D205-Q207 PolarHBondContact OD1-NE2 3.19Å; Q207-Y209 PolarHBondContact O-N 3.15Å; Q207-Y209 VanDerWaalsContact O-N 3.08Å
208	M	98.7	Very high	98.8	Very high	22 Å²	22	12.1 Å²	12.1	11%	0.108	6%	0.062	C	C	.	.			trans	-86.5	49.5	178.7	-71	-178.5	-82.7	0	0	111.9	P4 P6 S7 E187 Y206	P4-M208 HydrophobicContact CG-CE 4.3Å; P6-M208 HydrophobicContact CB-CE 4.27Å; P6-M208 HydrophobicContact CB-SD 3.94Å; P6-M208 HydrophobicContact CG-CE 4.42Å; P6-M208 HydrophobicContact CG-SD 4.49Å; S7-M208 WeakPolarHBondContact CB-O 3.13Å; E187-M208 HydrophobicContact CG-CG 3.85Å; Y206-M208 HydrophobicContact CE1-CB 4.07Å; Y206-M208 WeakPolarHBondContact CE1-O 3.26Å
209	Y	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.			trans	-87.5	167.8	177.2	65.1	-101.8	0	0	0	112.4	M153 R155 Y188 N189 V190 E201 L202 Y206 Q207 L213	M153-Y209 HydrophobicContact SD-CD2 4.31Å; M153-Y209 HydrophobicContact SD-CE2 4.37Å; R155-Y209 PolarHBondContact NH1-OH 2.7Å; Y188-Y209 VanDerWaalsContact CB-OH 3.3Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.43Å; Y188-Y209 HydrophobicContact CD2-CE2 4.45Å; Y188-Y209 HydrophobicContact CG-CE2 4.3Å; N189-Y209 PolarHBondContact O-OH 2.74Å; V190-Y209 HydrophobicContact CG1-CE1 4.18Å; E201-Y209 HydrophobicContact CG-CG 4.39Å; L202-Y209 HydrophobicContact CD2-CD1 3.88Å; L202-Y209 HydrophobicContact CD2-CE1 3.6Å; L202-Y209 HydrophobicContact CD2-CG 4.47Å; Y206-Y209 WeakPolarHBondContact O-CD1 3.34Å; Q207-Y209 PolarHBondContact O-N 3.15Å; Q207-Y209 VanDerWaalsContact O-N 3.08Å; Y209-L213 HydrophobicContact CD2-CB 4.36Å; Y209-L213 HydrophobicContact CD2-CD2 3.92Å; Y209-L213 HydrophobicContact CE2-CD2 3.68Å
210	D	98.9	Very high	98.8	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.043	6%	0.06	C	C	.	.			trans	-140.8	-163.7	-176.4	66.7	69.1	0	0	0	113.1	A9 M153 Y182 S212 L213 H309	A9-D210 WeakPolarHBondContact CA-OD2 3.38Å; A9-D210 HydrophobicContact CB-CB 3.77Å; M153-D210 VanDerWaalsContact SD-CA 3.53Å; Y182-D210 HydrophobicContact CD2-CB 3.84Å; Y182-D210 HydrophobicContact CE2-CB 3.42Å; Y182-D210 VanDerWaalsContact CE2-CB 3.42Å; D210-S212 PolarHBondContact O-N 3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.44Å; D210-S212 PolarHBondContact OD1-N 2.84Å; D210-S212 PolarHBondContact OD1-OG 3.12Å; D210-L213 WeakPolarHBondContact O-CB 3.49Å; D210-L213 PolarHBondContact O-N 2.89Å; D210-H309 IonicContact OD2-CD2 3.62Å
211	Y	98.9	Very high	98.8	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.016	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-29.2	-179.4	-44.3	-72.1	0	0	0	114.3	A9 V11 Y12 H148 M153 Y182 L213 D214	A9-Y211 HydrophobicContact CB-CD2 3.58Å; A9-Y211 HydrophobicContact CB-CE2 3.5Å; A9-Y211 VanDerWaalsContact CB-CE2 3.5Å; V11-Y211 VanDerWaalsContact O-CE2 3.29Å; V11-Y211 WeakPolarHBondContact O-CE2 3.19Å; Y12-Y211 PolarHBondContact O-OH 3.12Å; H148-Y211 HydrophobicContact CB-CD1 3.95Å; H148-Y211 HydrophobicContact CB-CE1 4.48Å; H148-Y211 HydrophobicContact CB-CG 4.15Å; H148-Y211 AromaticContact CD2-CD1 3.8Å; H148-Y211 PolarHBondContact CE1-O 3.04Å; H148-Y211 AromaticContact CG-CD1 3.91Å; M153-Y211 HydrophobicContact CG-CD1 3.52Å; M153-Y211 HydrophobicContact CG-CE1 4.04Å; M153-Y211 HydrophobicContact CG-CG 4.26Å; Y182-Y211 VanDerWaalsContact CB-CZ 3.43Å; Y182-Y211 VanDerWaalsContact CB-OH 3.3Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.47Å; Y182-Y211 HydrophobicContact CD1-CE1 4.5Å; Y182-Y211 AromaticContact CD1-CE2 3.75Å; Y182-Y211 HydrophobicContact CD1-CE2 3.75Å; Y182-Y211 AromaticContact CD1-CZ 3.58Å; Y182-Y211 WeakPolarHBondContact CD1-OH 3.42Å; Y182-Y211 HydrophobicContact CE1-CE2 4.29Å; Y182-Y211 HydrophobicContact CG-CE1 4.07Å; Y182-Y211 AromaticContact CG-CE2 3.94Å; Y182-Y211 HydrophobicContact CG-CE2 3.94Å; Y182-Y211 AromaticContact CG-CZ 3.58Å; Y211-L213 PolarHBondContact O-N 3.17Å; Y211-D214 PolarHBondContact O-N 3.5Å
212	S	98.9	Very high	98.8	Very high	11 Å²	11	11.8 Å²	11.8	8%	0.077	6%	0.061	C	C	.	.	H	α-helix	trans	-57.4	-17.9	176.1	58.3	0	0	0	0	114.3	D210 D214 M215 W216 H309 R312	D210-S212 PolarHBondContact O-N 3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.44Å; D210-S212 PolarHBondContact OD1-N 2.84Å; D210-S212 PolarHBondContact OD1-OG 3.12Å; S212-D214 VanDerWaalsContact C-N 3.34Å; S212-M215 WeakPolarHBondContact O-CB 3.4Å; S212-M215 PolarHBondContact O-N 3.21Å; S212-W216 PolarHBondContact O-N 2.89Å; S212-H309 VanDerWaalsContact CB-O 3.24Å; S212-H309 WeakPolarHBondContact CB-O 3.39Å; S212-H309 WeakPolarHBondContact OG-CB 3.5Å; S212-R312 PolarHBondContact O-NH1 2.95Å
213	L	98.9	Very high	98.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-43.8	171.9	174.3	62	0	0	0	111.4	R155 V192 E201 L202 Y209 D210 Y211 M215 W216 S217	R155-L213 HydrophobicContact CB-CD2 4.23Å; R155-L213 HydrophobicContact CG-CD2 4.13Å; V192-L213 HydrophobicContact CG2-CD2 4.29Å; E201-L213 HydrophobicContact CG-CD1 4.38Å; E201-L213 WeakPolarHBondContact OE1-CA 3.4Å; L202-L213 HydrophobicContact CD1-CD1 3.76Å; L202-L213 HydrophobicContact CD1-CD2 4.11Å; L202-L213 HydrophobicContact CD2-CD1 4.25Å; L202-L213 HydrophobicContact CD2-CD2 4.11Å; L202-L213 HydrophobicContact CG-CD1 3.81Å; L202-L213 HydrophobicContact CG-CD2 4.42Å; Y209-L213 HydrophobicContact CD2-CB 4.36Å; Y209-L213 HydrophobicContact CD2-CD2 3.92Å; Y209-L213 HydrophobicContact CE2-CD2 3.68Å; D210-L213 WeakPolarHBondContact O-CB 3.49Å; D210-L213 PolarHBondContact O-N 2.89Å; Y211-L213 PolarHBondContact O-N 3.17Å; L213-M215 PolarHBondContact O-N 3.06Å; L213-W216 WeakPolarHBondContact O-CB 3.43Å; L213-W216 PolarHBondContact O-N 3.09Å; L213-S217 PolarHBondContact O-N 3.21Å; L213-S217 PolarHBondContact O-OG 2.91Å
214	D	98.9	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.9	-32.6	179.1	-67.2	-30.2	0	0	0	111	L144 H148 H154 R155 V157 Y211 S212 S217 L218	L144-D214 HydrophobicContact CD1-CB 4.41Å; L144-D214 HydrophobicContact CD2-CB 4.14Å; H148-D214 IonicContact CD2-OD2 3.38Å; H148-D214 IonicContact CE1-OD2 3.47Å; H148-D214 IonicContact NE2-OD2 3Å; H148-D214 PolarHBondContact NE2-OD2 3.26Å; H154-D214 PolarHBondContact N-OD2 2.9Å; R155-D214 WeakPolarHBondContact CA-OD1 3.24Å; R155-D214 PolarHBondContact N-OD1 3.34Å; V157-D214 HydrophobicContact CG2-CB 3.98Å; Y211-D214 PolarHBondContact O-N 3.5Å; S212-D214 VanDerWaalsContact C-N 3.34Å; D214-S217 PolarHBondContact O-N 2.96Å; D214-L218 WeakPolarHBondContact O-CB 3.48Å; D214-L218 PolarHBondContact O-N 2.95Å
215	M	98.9	Very high	98.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-68.9	-34.6	178.4	-56.8	-54.1	-60.4	0	0	112.4	L141 L144 S212 L213 L218 G219 L304 L313 A315 A318	L141-M215 HydrophobicContact CD2-CE 3.75Å; L141-M215 HydrophobicContact CD2-SD 4.5Å; L144-M215 HydrophobicContact CD1-SD 4.36Å; S212-M215 WeakPolarHBondContact O-CB 3.4Å; S212-M215 PolarHBondContact O-N 3.21Å; L213-M215 PolarHBondContact O-N 3.06Å; M215-L218 HydrophobicContact CE-CD2 4.03Å; M215-G219 PolarHBondContact O-N 3.13Å; M215-L304 HydrophobicContact CB-CD2 4.37Å; M215-L304 HydrophobicContact CE-CD2 3.68Å; M215-L313 WeakPolarHBondContact CG-O 3.48Å; M215-A315 HydrophobicContact CE-CB 4.4Å; M215-A315 HydrophobicContact SD-CB 3.93Å; M215-A318 HydrophobicContact CE-CB 3.88Å
216	W	98.9	Very high	98.5	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.9	-48.9	169.8	173.4	-86.3	0	0	0	111.5	K198 P200 S212 L213 L218 G219 C220 F233 I245 L249 L305 R306	K198-W216 PolarHBondContact O-NE1 2.7Å; P200-W216 HydrophobicContact CG-CD2 4.49Å; P200-W216 HydrophobicContact CG-CE3 4.2Å; P200-W216 HydrophobicContact CG-CH2 3.73Å; P200-W216 HydrophobicContact CG-CZ2 4.05Å; P200-W216 HydrophobicContact CG-CZ3 3.81Å; S212-W216 PolarHBondContact O-N 2.89Å; L213-W216 WeakPolarHBondContact O-CB 3.43Å; L213-W216 PolarHBondContact O-N 3.09Å; W216-L218 VanDerWaalsContact C-N 3.25Å; W216-L218 PolarHBondContact O-N 2.6Å; W216-G219 WeakPolarHBondContact O-CA 3.43Å; W216-G219 PolarHBondContact O-N 3.45Å; W216-C220 PolarHBondContact NE1-SG 3.23Å; W216-C220 PolarHBondContact O-N 3.01Å; W216-F233 HydrophobicContact CH2-CE2 4.45Å; W216-F233 HydrophobicContact CZ2-CD2 4.44Å; W216-F233 HydrophobicContact CZ2-CE2 4.06Å; W216-I245 HydrophobicContact CH2-CD1 4.28Å; W216-I245 HydrophobicContact CH2-CG1 4.37Å; W216-I245 HydrophobicContact CH2-CG2 3.62Å; W216-I245 HydrophobicContact CZ2-CD1 3.6Å; W216-I245 HydrophobicContact CZ2-CG1 3.92Å; W216-I245 HydrophobicContact CZ2-CG2 4.03Å; W216-L249 HydrophobicContact CH2-CD1 3.68Å; W216-L249 HydrophobicContact CZ3-CD1 3.85Å; W216-L305 HydrophobicContact CD2-CD2 3.93Å; W216-L305 HydrophobicContact CE3-CD2 3.85Å; W216-L305 HydrophobicContact CH2-CD2 4.17Å; W216-L305 HydrophobicContact CZ2-CD2 4.23Å; W216-L305 HydrophobicContact CZ3-CB 4.26Å; W216-L305 HydrophobicContact CZ3-CD2 3.99Å; W216-R306 WeakPolarHBondContact CZ3-O 3.14Å
217	S	98.9	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.1	-39.5	178.8	-59.7	0	0	0	0	111.8	V157 F197 L213 D214 C220 M221	V157-S217 WeakPolarHBondContact O-CB 3.44Å; F197-S217 PolarHBondContact O-OG 2.81Å; L213-S217 PolarHBondContact O-N 3.21Å; L213-S217 PolarHBondContact O-OG 2.91Å; D214-S217 PolarHBondContact O-N 2.96Å; S217-C220 WeakPolarHBondContact O-CB 3.38Å; S217-C220 PolarHBondContact O-N 3.44Å; S217-M221 PolarHBondContact O-N 3.42Å; S217-M221 VanDerWaalsContact O-N 3.09Å
218	L	98.9	Very high	98.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.7	-42.9	172.3	-174.6	68.8	0	0	0	112	M137 I140 L141 L144 D214 M215 W216 C220 M221 L222	M137-L218 HydrophobicContact CE-CD1 3.34Å; M137-L218 HydrophobicContact CE-CD2 4.05Å; M137-L218 HydrophobicContact CE-CG 3.43Å; M137-L218 VanDerWaalsContact CE-CG 3.43Å; M137-L218 HydrophobicContact SD-CD1 3.8Å; I140-L218 HydrophobicContact CB-CD1 4.24Å; I140-L218 HydrophobicContact CD1-CD1 4.42Å; I140-L218 HydrophobicContact CG2-CD1 3.68Å; L141-L218 HydrophobicContact CD2-CD2 3.36Å; L141-L218 HydrophobicContact CG-CD2 3.87Å; L144-L218 HydrophobicContact CD1-CD2 4.21Å; D214-L218 WeakPolarHBondContact O-CB 3.48Å; D214-L218 PolarHBondContact O-N 2.95Å; M215-L218 HydrophobicContact CE-CD2 4.03Å; W216-L218 VanDerWaalsContact C-N 3.25Å; W216-L218 PolarHBondContact O-N 2.6Å; L218-C220 VanDerWaalsContact C-N 3.35Å; L218-C220 PolarHBondContact O-N 3.32Å; L218-M221 WeakPolarHBondContact O-CB 3.36Å; L218-M221 PolarHBondContact O-N 3.47Å; L218-L222 PolarHBondContact O-N 2.95Å
219	G	98.9	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-41.8	173.5	0	0	0	0	0	112.8	M215 W216 M221 L222 A223 L301	M215-G219 PolarHBondContact O-N 3.13Å; W216-G219 WeakPolarHBondContact O-CA 3.43Å; W216-G219 PolarHBondContact O-N 3.45Å; G219-M221 VanDerWaalsContact C-N 3.33Å; G219-M221 PolarHBondContact O-N 3.4Å; G219-L222 PolarHBondContact O-N 3.5Å; G219-A223 WeakPolarHBondContact O-CB 3.43Å; G219-A223 PolarHBondContact O-N 2.94Å; G219-L301 VanDerWaalsContact O-CD1 3.28Å; G219-L301 WeakPolarHBondContact O-CD1 3.19Å
220	C	98.8	Very high	97.8	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.02	7%	0.066	C	C	.	.	H	α-helix	trans	-61.2	-40.5	173.5	-72.6	0	0	0	0	112.2	F197 W216 S217 L218 S224	F197-C220 HydrophobicContact CD1-CB 3.76Å; F197-C220 HydrophobicContact CE1-CB 4.15Å; W216-C220 PolarHBondContact NE1-SG 3.23Å; W216-C220 PolarHBondContact O-N 3.01Å; S217-C220 WeakPolarHBondContact O-CB 3.38Å; S217-C220 PolarHBondContact O-N 3.44Å; L218-C220 VanDerWaalsContact C-N 3.35Å; L218-C220 PolarHBondContact O-N 3.32Å; C220-S224 PolarHBondContact O-N 3.22Å; C220-S224 PolarHBondContact O-OG 3.02Å
221	M	98	Very high	97.7	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-63.4	-47.6	175.3	-71.5	-178.6	57.5	0	0	111.6	I140 V157 K158 P159 V162 F197 S217 L218 G219 S224 M225	I140-M221 HydrophobicContact CD1-CE 4.02Å; V157-M221 HydrophobicContact CG1-SD 3.88Å; K158-M221 VanDerWaalsContact C-SD 3.56Å; K158-M221 VanDerWaalsContact CA-SD 3.6Å; P159-M221 HydrophobicContact CB-CE 4.45Å; P159-M221 HydrophobicContact CG-CE 4.14Å; P159-M221 HydrophobicContact CG-CG 4.11Å; P159-M221 HydrophobicContact CG-SD 4.45Å; V162-M221 HydrophobicContact CG2-CE 4.05Å; F197-M221 HydrophobicContact CD1-CG 4.1Å; F197-M221 HydrophobicContact CE1-CG 3.62Å; S217-M221 PolarHBondContact O-N 3.42Å; S217-M221 VanDerWaalsContact O-N 3.09Å; L218-M221 WeakPolarHBondContact O-CB 3.36Å; L218-M221 PolarHBondContact O-N 3.47Å; G219-M221 VanDerWaalsContact C-N 3.33Å; G219-M221 PolarHBondContact O-N 3.4Å; M221-S224 PolarHBondContact O-N 3.2Å; M221-M225 HydrophobicContact CB-CE 4.38Å; M221-M225 WeakPolarHBondContact O-CG 3.47Å; M221-M225 PolarHBondContact O-N 3.11Å
222	L	98.4	Very high	97.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-58.8	-50	177.4	-179.6	63.9	0	0	0	111.3	I133 M137 L218 G219 S224 M225 V226 F300 L301 L304 Y323	I133-L222 HydrophobicContact CG2-CD1 3.94Å; M137-L222 HydrophobicContact CE-CB 3.7Å; M137-L222 HydrophobicContact CE-CD1 4.22Å; M137-L222 HydrophobicContact CE-CD2 4.46Å; M137-L222 HydrophobicContact CE-CG 4.35Å; M137-L222 HydrophobicContact CG-CD1 4.17Å; M137-L222 HydrophobicContact SD-CB 4.39Å; L218-L222 PolarHBondContact O-N 2.95Å; G219-L222 PolarHBondContact O-N 3.5Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.42Å; L222-M225 PolarHBondContact O-N 3.03Å; L222-M225 VanDerWaalsContact O-N 3.09Å; L222-V226 HydrophobicContact CD1-CG1 3.69Å; L222-V226 HydrophobicContact CG-CG1 4.29Å; L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 3.4Å; L222-F300 HydrophobicContact CD2-CD1 3.41Å; L222-F300 VanDerWaalsContact CD2-CD1 3.41Å; L222-F300 HydrophobicContact CD2-CE1 3.66Å; L222-F300 HydrophobicContact CD2-CG 4.43Å; L222-L301 HydrophobicContact CB-CD1 4.21Å; L222-L301 HydrophobicContact CD2-CB 4.03Å; L222-L301 HydrophobicContact CD2-CD1 4.01Å; L222-L301 HydrophobicContact CG-CD1 4.24Å; L222-L304 HydrophobicContact CD2-CD1 4.36Å; L222-Y323 HydrophobicContact CD1-CE1 4.31Å
223	A	98.5	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.2	-42.4	179.1	0	0	0	0	0	111.5	G219 F227 F232 L301 L305	G219-A223 WeakPolarHBondContact O-CB 3.43Å; G219-A223 PolarHBondContact O-N 2.94Å; A223-F227 HydrophobicContact CB-CD2 4.29Å; A223-F227 VanDerWaalsContact O-CB 3.3Å; A223-F227 WeakPolarHBondContact O-CB 3.2Å; A223-F227 WeakPolarHBondContact O-CD2 3.48Å; A223-F227 PolarHBondContact O-N 2.93Å; A223-F227 VanDerWaalsContact O-N 3.15Å; A223-F232 HydrophobicContact CB-CB 3.93Å; A223-F232 HydrophobicContact CB-CD1 3.76Å; A223-F232 HydrophobicContact CB-CD2 3.85Å; A223-F232 HydrophobicContact CB-CE1 4.23Å; A223-F232 HydrophobicContact CB-CE2 4.33Å; A223-F232 HydrophobicContact CB-CG 3.55Å; A223-L301 HydrophobicContact CB-CD1 3.91Å; A223-L301 HydrophobicContact CB-CD2 3.95Å; A223-L305 HydrophobicContact CB-CD1 4.31Å
224	S	96.8	Very high	97.6	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-57.5	-59.2	172.3	-79.7	0	0	0	0	110	Y125 C220 M221 L222 V226 F227 R228 K229 F232	Y125-S224 PolarHBondContact OH-O 3.17Å; C220-S224 PolarHBondContact O-N 3.22Å; C220-S224 PolarHBondContact O-OG 3.02Å; M221-S224 PolarHBondContact O-N 3.2Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.42Å; S224-V226 PolarHBondContact O-N 2.95Å; S224-F227 PolarHBondContact O-N 2.63Å; S224-R228 WeakPolarHBondContact O-CA 3.4Å; S224-R228 PolarHBondContact O-N 3.2Å; S224-K229 VanDerWaalsContact CA-O 3.28Å; S224-K229 WeakPolarHBondContact CA-O 3.4Å; S224-K229 VanDerWaalsContact CB-O 3.3Å; S224-K229 WeakPolarHBondContact CB-O 3.32Å; S224-K229 PolarHBondContact O-N 3.15Å; S224-K229 PolarHBondContact OG-O 2.93Å; S224-F232 PolarHBondContact OG-N 3.16Å
225	M	96.1	Very high	97.6	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.039	9%	0.086	C	C	.	.	H	α-helix	trans	-51.8	-53.6	-176.1	-72.7	-173.7	-70.6	0	0	113.9	F121 Y125 L128 I133 M137 M221 L222 R228	F121-M225 HydrophobicContact CZ-CG 4.31Å; F121-M225 HydrophobicContact CZ-SD 4.2Å; Y125-M225 HydrophobicContact CD2-CB 4.36Å; Y125-M225 HydrophobicContact CD2-CG 3.57Å; Y125-M225 HydrophobicContact CE2-CB 4.01Å; Y125-M225 HydrophobicContact CE2-CG 3.57Å; L128-M225 HydrophobicContact CD1-SD 4.2Å; I133-M225 HydrophobicContact CD1-CB 4.07Å; I133-M225 HydrophobicContact CG1-CB 4.28Å; I133-M225 HydrophobicContact CG1-SD 4.45Å; I133-M225 HydrophobicContact CG2-CB 4.18Å; I133-M225 HydrophobicContact CG2-CE 4.2Å; I133-M225 HydrophobicContact CG2-SD 4.3Å; M137-M225 HydrophobicContact CG-CE 3.78Å; M137-M225 HydrophobicContact SD-CE 3.27Å; M137-M225 WeakPolarHBondContact SD-CE 3.41Å; M221-M225 HydrophobicContact CB-CE 4.38Å; M221-M225 WeakPolarHBondContact O-CG 3.47Å; M221-M225 PolarHBondContact O-N 3.11Å; L222-M225 PolarHBondContact O-N 3.03Å; L222-M225 VanDerWaalsContact O-N 3.09Å; M225-R228 PolarHBondContact O-N 2.94Å
226	V	97.3	Very high	97.5	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.036	12%	0.116	C	C	.	.	H	α-helix	trans	-74.1	-32.6	-173.5	-55.9	0	0	0	0	112.3	I133 L222 S224 N289 I293	I133-V226 HydrophobicContact CG2-CG1 4.26Å; L222-V226 HydrophobicContact CD1-CG1 3.69Å; L222-V226 HydrophobicContact CG-CG1 4.29Å; L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 3.4Å; S224-V226 PolarHBondContact O-N 2.95Å; V226-N289 WeakPolarHBondContact O-CB 3.46Å; V226-I293 HydrophobicContact CB-CD1 3.82Å; V226-I293 HydrophobicContact CG2-CD1 3.89Å
227	F	97.5	Very high	97.5	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-91.7	1.5	178.7	-61.8	-56.6	0	0	0	114	A223 S224 K229 F232 W281 F284 V285 N289 I293 L298 L301	A223-F227 HydrophobicContact CB-CD2 4.29Å; A223-F227 VanDerWaalsContact O-CB 3.3Å; A223-F227 WeakPolarHBondContact O-CB 3.2Å; A223-F227 WeakPolarHBondContact O-CD2 3.48Å; A223-F227 PolarHBondContact O-N 2.93Å; A223-F227 VanDerWaalsContact O-N 3.15Å; S224-F227 PolarHBondContact O-N 2.63Å; F227-K229 HydrophobicContact CB-CB 4.4Å; F227-K229 PolarHBondContact O-N 3.11Å; F227-F232 HydrophobicContact CB-CD2 4.41Å; F227-F232 HydrophobicContact CB-CE2 4.23Å; F227-F232 AromaticContact CD2-CD2 3.88Å; F227-F232 HydrophobicContact CD2-CD2 3.88Å; F227-F232 AromaticContact CD2-CE2 3.32Å; F227-F232 HydrophobicContact CD2-CE2 3.32Å; F227-F232 HydrophobicContact CD2-CZ 4.01Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.19Å; F227-F232 HydrophobicContact CG-CE2 4.05Å; F227-W281 AromaticContact CE2-CE3 3.96Å; F227-W281 HydrophobicContact CE2-CE3 3.96Å; F227-W281 HydrophobicContact CE2-CZ3 4.45Å; F227-W281 HydrophobicContact CZ-CB 4.23Å; F227-W281 HydrophobicContact CZ-CE3 4.14Å; F227-F284 HydrophobicContact CB-CB 4.48Å; F227-F284 HydrophobicContact CD1-CB 3.55Å; F227-F284 HydrophobicContact CD2-CB 4.25Å; F227-F284 HydrophobicContact CE1-CB 3.71Å; F227-F284 HydrophobicContact CE2-CB 4.37Å; F227-F284 HydrophobicContact CG-CB 3.85Å; F227-F284 HydrophobicContact CZ-CB 4.13Å; F227-F284 HydrophobicContact CZ-CD2 4.46Å; F227-V285 HydrophobicContact CE1-CG2 4.13Å; F227-N289 WeakPolarHBondContact CA-ND2 3.39Å; F227-N289 PolarHBondContact O-ND2 2.88Å; F227-N289 VanDerWaalsContact O-ND2 3.09Å; F227-I293 HydrophobicContact CD1-CD1 3.73Å; F227-I293 HydrophobicContact CE1-CD1 3.53Å; F227-I293 HydrophobicContact CZ-CD1 4.36Å; F227-L298 HydrophobicContact CE1-CD2 4.09Å; F227-L298 HydrophobicContact CZ-CD2 3.73Å; F227-L301 HydrophobicContact CD2-CD2 4.49Å; F227-L301 HydrophobicContact CE2-CD2 3.55Å; F227-L301 HydrophobicContact CZ-CD2 4.17Å
228	R	95.5	Very high	97.5	Very high	74 Å²	74	31.3 Å²	31.3	28%	0.279	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	34.8	-176	-65.7	-77.9	176.5	135.1	-12.6	112.5	Y125 Q126 L128 S224 M225 N289 L292	Y125-R228 VanDerWaalsContact OH-CA 3.22Å; Y125-R228 WeakPolarHBondContact OH-CA 3.44Å; Q126-R228 VanDerWaalsContact O-CZ 3.28Å; Q126-R228 PolarHBondContact O-NH1 2.98Å; Q126-R228 PolarHBondContact O-NH2 3.47Å; L128-R228 PolarHBondContact O-NH2 3.19Å; S224-R228 WeakPolarHBondContact O-CA 3.4Å; S224-R228 PolarHBondContact O-N 3.2Å; M225-R228 PolarHBondContact O-N 2.94Å; R228-N289 HydrophobicContact CB-CB 4.29Å; R228-N289 HydrophobicContact CG-CB 3.94Å; R228-L292 HydrophobicContact CG-CD1 4.12Å; R228-L292 VanDerWaalsContact NE-CD1 3.3Å
229	K	95	Very high	97.4	Very high	89 Å²	89	33.8 Å²	33.8	39%	0.387	16%	0.158	S	C	.	.			trans	-124.5	101.5	-175.6	-172.6	-172	177.5	-148.4	0	112	Y125 S224 F227 P231 F232	Y125-K229 PolarHBondContact OH-N 2.82Å; S224-K229 VanDerWaalsContact CA-O 3.28Å; S224-K229 WeakPolarHBondContact CA-O 3.4Å; S224-K229 VanDerWaalsContact CB-O 3.3Å; S224-K229 WeakPolarHBondContact CB-O 3.32Å; S224-K229 PolarHBondContact O-N 3.15Å; S224-K229 PolarHBondContact OG-O 2.93Å; F227-K229 HydrophobicContact CB-CB 4.4Å; F227-K229 PolarHBondContact O-N 3.11Å; K229-P231 CarbonylContact O-C 3.57Å; K229-F232 HydrophobicContact CB-CD2 4.32Å; K229-F232 HydrophobicContact CD-CD2 3.94Å; K229-F232 HydrophobicContact CD-CE2 4.27Å; K229-F232 WeakPolarHBondContact CE-O 3.09Å; K229-F232 PolarHBondContact NZ-O 3.48Å; K229-F232 WeakPolarHBondContact O-CA 3.45Å; K229-F232 PolarHBondContact O-N 2.89Å; K229-F232 VanDerWaalsContact O-N 3.1Å
230	E	92.3	Very high	97.4	Very high	86 Å²	86	35.2 Å²	35.2	40%	0.402	17%	0.165	S	C	.	.	S	Bend	trans	-114.6	120.6	-176.8	-169.8	-179.9	-164	0	0	112.2
231	P	96.5	Very high	97.4	Very high	16 Å²	16	35 Å²	35	10%	0.104	16%	0.164	C	C	.	.	S	Bend	cis	-72.6	156.4	-14.5	33.6	-37.6	0	0	0	112.2	Y196 K229 H234	Y196-P231 HydrophobicContact CD1-CB 4.2Å; Y196-P231 HydrophobicContact CD1-CG 3.91Å; Y196-P231 HydrophobicContact CD2-CB 3.57Å; Y196-P231 HydrophobicContact CD2-CG 3.53Å; Y196-P231 HydrophobicContact CE1-CG 4.08Å; Y196-P231 HydrophobicContact CE2-CB 4.25Å; Y196-P231 HydrophobicContact CE2-CG 3.69Å; Y196-P231 HydrophobicContact CG-CB 3.54Å; Y196-P231 HydrophobicContact CG-CG 3.64Å; K229-P231 CarbonylContact O-C 3.57Å; P231-H234 HydrophobicContact CG-CB 3.79Å
232	F	98.3	Very high	97.5	Very high	3 Å²	3	35 Å²	35	1%	0.013	16%	0.164	C	C	.	.	S	Bend	trans	-67.4	-49.3	179.1	-172.7	-102.7	0	0	0	112.1	A223 S224 F227 K229 V248 W281 F284	A223-F232 HydrophobicContact CB-CB 3.93Å; A223-F232 HydrophobicContact CB-CD1 3.76Å; A223-F232 HydrophobicContact CB-CD2 3.85Å; A223-F232 HydrophobicContact CB-CE1 4.23Å; A223-F232 HydrophobicContact CB-CE2 4.33Å; A223-F232 HydrophobicContact CB-CG 3.55Å; S224-F232 PolarHBondContact OG-N 3.16Å; F227-F232 HydrophobicContact CB-CD2 4.41Å; F227-F232 HydrophobicContact CB-CE2 4.23Å; F227-F232 AromaticContact CD2-CD2 3.88Å; F227-F232 HydrophobicContact CD2-CD2 3.88Å; F227-F232 AromaticContact CD2-CE2 3.32Å; F227-F232 HydrophobicContact CD2-CE2 3.32Å; F227-F232 HydrophobicContact CD2-CZ 4.01Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.19Å; F227-F232 HydrophobicContact CG-CE2 4.05Å; K229-F232 HydrophobicContact CB-CD2 4.32Å; K229-F232 HydrophobicContact CD-CD2 3.94Å; K229-F232 HydrophobicContact CD-CE2 4.27Å; K229-F232 WeakPolarHBondContact CE-O 3.09Å; K229-F232 PolarHBondContact NZ-O 3.48Å; K229-F232 WeakPolarHBondContact O-CA 3.45Å; K229-F232 PolarHBondContact O-N 2.89Å; K229-F232 VanDerWaalsContact O-N 3.1Å; F232-V248 HydrophobicContact CE1-CG1 4.47Å; F232-W281 AromaticContact CE1-CZ3 3.9Å; F232-W281 HydrophobicContact CE1-CZ3 3.9Å; F232-W281 HydrophobicContact CZ-CE3 4.46Å; F232-W281 AromaticContact CZ-CZ3 3.84Å; F232-W281 HydrophobicContact CZ-CZ3 3.84Å; F232-F284 HydrophobicContact CE2-CD1 4.22Å; F232-F284 HydrophobicContact CE2-CG 4.19Å; F232-F284 HydrophobicContact CZ-CD1 4.21Å; F232-F284 HydrophobicContact CZ-CD2 4.07Å; F232-F284 HydrophobicContact CZ-CE1 4.19Å; F232-F284 HydrophobicContact CZ-CE2 4.05Å; F232-F284 HydrophobicContact CZ-CG 4.16Å; F232-F284 HydrophobicContact CZ-CZ 4.12Å
233	F	98.8	Very high	97.5	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.013	17%	0.165	C	C	.	.	S	Bend	trans	-101	102.8	171.5	-61.2	-65.3	0	0	0	109.9	Y196 W216 Q241 R244 I245 V248 L305	Y196-F233 VanDerWaalsContact CD1-O 3.3Å; Y196-F233 WeakPolarHBondContact CD1-O 3.31Å; W216-F233 HydrophobicContact CH2-CE2 4.45Å; W216-F233 HydrophobicContact CZ2-CD2 4.44Å; W216-F233 HydrophobicContact CZ2-CE2 4.06Å; F233-Q241 PolarHBondContact O-NE2 2.95Å; F233-Q241 PolarHBondContact O-OE1 3.44Å; F233-R244 HydrophobicContact CB-CB 4.4Å; F233-R244 HydrophobicContact CD1-CB 4.46Å; F233-I245 HydrophobicContact CB-CG1 4.33Å; F233-I245 HydrophobicContact CD1-CB 4.49Å; F233-I245 HydrophobicContact CD1-CG1 3.93Å; F233-I245 HydrophobicContact CD2-CG1 4.1Å; F233-I245 HydrophobicContact CE1-CB 4.45Å; F233-I245 HydrophobicContact CE1-CG1 4.21Å; F233-I245 HydrophobicContact CE2-CG1 4.37Å; F233-I245 HydrophobicContact CG-CG1 3.87Å; F233-I245 HydrophobicContact CZ-CG1 4.42Å; F233-V248 HydrophobicContact CD1-CG2 4.41Å; F233-V248 HydrophobicContact CE1-CB 3.86Å; F233-V248 HydrophobicContact CE1-CG1 4.34Å; F233-V248 HydrophobicContact CE1-CG2 3.75Å; F233-L305 HydrophobicContact CE2-CD1 3.98Å; F233-L305 HydrophobicContact CE2-CD2 4.33Å; F233-L305 HydrophobicContact CZ-CD1 4.18Å
234	H	98.6	Very high	97.5	Very high	95 Å²	95	38.8 Å²	38.8	44%	0.44	18%	0.179	S	C	.	.			trans	-105.1	75.8	-171	-160.7	169.7	0	0	0	112	Y196 P231	Y196-H234 AromaticContact CE1-CD2 3.58Å; Y196-H234 AromaticContact CZ-CD2 3.59Å; Y196-H234 AromaticContact CZ-NE2 3.84Å; Y196-H234 PolarHBondContact OH-CD2 3.29Å; Y196-H234 PolarHBondContact OH-NE2 3.08Å; P231-H234 HydrophobicContact CG-CB 3.79Å
235	G	98.4	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.177	C	C	.	.			trans	-81.8	141.1	177.1	0	0	0	0	0	113.6	R195 Y196 D240 Q241	R195-G235 WeakPolarHBondContact CD-O 3.11Å; R195-G235 PolarHBondContact NH1-O 3Å; Y196-G235 WeakPolarHBondContact CE1-O 3.27Å; G235-D240 WeakPolarHBondContact CA-OD2 3.49Å; G235-Q241 VanDerWaalsContact CA-OE1 3.29Å
236	H	97.8	Very high	97.7	Very high	135 Å²	135	38.1 Å²	38.1	63%	0.625	18%	0.175	S	C	*	.	S	Bend	trans	-69.3	-35.5	176.6	-61.5	-57	0	0	0	113	R195 D240 R244	R195-H236 PolarHBondContact NH1-O 2.99Å; R195-H236 PolarHBondContact NH2-O 3.35Å; H236-D240 HydrophobicContact CB-CB 4.39Å; H236-D240 IonicContact CD2-OD2 3.54Å; H236-D240 PolarHBondContact CD2-OD2 3.25Å; H236-D240 IonicContact CG-OD2 2.71Å; H236-D240 PolarHBondContact N-OD2 3.35Å; H236-D240 IonicContact NE2-OD2 3.74Å; H236-R244 PolarHBondContact CD2-NH2 3.45Å; H236-R244 PolarHBondContact NE2-NH2 3.47Å; H236-R244 VanDerWaalsContact NE2-NH2 3.12Å
237	D	98.2	Very high	97.8	Very high	52 Å²	52	41.9 Å²	41.9	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	-141.4	-173.3	173.4	65.2	23.8	0	0	0	109.7	Y239 D240 Q241 R268	D237-Y239 VanDerWaalsContact C-N 3.29Å; D237-Y239 PolarHBondContact O-N 3.23Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.44Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.41Å; D237-Y239 PolarHBondContact OD1-N 3.42Å; D237-D240 PolarHBondContact OD1-N 3.27Å; D237-Q241 WeakPolarHBondContact O-CB 3.16Å; D237-Q241 PolarHBondContact O-N 2.82Å; D237-R268 IonicContact OD2-NH2 3.16Å; D237-R268 PolarHBondContact OD2-NH2 2.98Å
238	N	98.3	Very high	97.9	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	19%	0.193	S	C	.	.	H	α-helix	trans	-67.9	-28.8	179.8	-69.5	-12.3	0	0	0	112.8	L203 Q241	L203-N238 HydrophobicContact CD2-CB 4.11Å; N238-Q241 WeakPolarHBondContact O-CB 3.36Å
239	Y	98.2	Very high	98	Very high	52 Å²	52	38.8 Å²	38.8	20%	0.204	18%	0.18	C	C	.	.	H	α-helix	trans	-73.2	-49.8	179.1	-64.9	-87.3	0	0	0	110.3	D237 Q241 L242 V243 E266 R268 F269	D237-Y239 VanDerWaalsContact C-N 3.29Å; D237-Y239 PolarHBondContact O-N 3.23Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.44Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.41Å; D237-Y239 PolarHBondContact OD1-N 3.42Å; Y239-Q241 PolarHBondContact O-N 3.08Å; Y239-L242 PolarHBondContact O-N 2.97Å; Y239-L242 VanDerWaalsContact O-N 3.15Å; Y239-V243 PolarHBondContact O-N 2.89Å; Y239-E266 WeakPolarHBondContact CE1-OE2 3.41Å; Y239-E266 VanDerWaalsContact CZ-OE2 3.23Å; Y239-E266 PolarHBondContact OH-OE1 2.76Å; Y239-E266 PolarHBondContact OH-OE2 3.24Å; Y239-R268 HydrophobicContact CD1-CB 4.36Å; Y239-R268 HydrophobicContact CD1-CG 4.08Å; Y239-R268 HydrophobicContact CE1-CB 4.18Å; Y239-R268 HydrophobicContact CE1-CG 4.25Å; Y239-F269 HydrophobicContact CD1-CD1 4.33Å; Y239-F269 HydrophobicContact CD1-CD2 4.42Å; Y239-F269 AromaticContact CD1-CE1 3.72Å; Y239-F269 HydrophobicContact CD1-CE1 3.72Å; Y239-F269 AromaticContact CD1-CE2 3.85Å; Y239-F269 HydrophobicContact CD1-CE2 3.85Å; Y239-F269 AromaticContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CD1-CZ 3.47Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CE1-CE2 4.03Å; Y239-F269 HydrophobicContact CE1-CZ 4.06Å; Y239-F269 HydrophobicContact CG-CE1 4.37Å; Y239-F269 HydrophobicContact CG-CZ 4.31Å
240	D	98.6	Very high	98.2	Very high	29 Å²	29	34.6 Å²	34.6	16%	0.155	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-29.1	175	-174	55.3	0	0	0	111.4	G235 H236 D237 L242 V243 R244	G235-D240 WeakPolarHBondContact CA-OD2 3.49Å; H236-D240 HydrophobicContact CB-CB 4.39Å; H236-D240 IonicContact CD2-OD2 3.54Å; H236-D240 PolarHBondContact CD2-OD2 3.25Å; H236-D240 IonicContact CG-OD2 2.71Å; H236-D240 PolarHBondContact N-OD2 3.35Å; H236-D240 IonicContact NE2-OD2 3.74Å; D237-D240 PolarHBondContact OD1-N 3.27Å; D240-L242 VanDerWaalsContact C-N 3.32Å; D240-L242 PolarHBondContact O-N 3.44Å; D240-V243 WeakPolarHBondContact O-CB 3.49Å; D240-V243 PolarHBondContact O-N 3.07Å; D240-V243 VanDerWaalsContact O-N 3.13Å; D240-R244 WeakPolarHBondContact O-CG 3.47Å; D240-R244 PolarHBondContact O-N 3.09Å; D240-R244 IonicContact OD1-CZ 3.25Å; D240-R244 IonicContact OD1-NE 3.55Å; D240-R244 PolarHBondContact OD1-NE 2.77Å; D240-R244 IonicContact OD1-NH2 3.57Å; D240-R244 PolarHBondContact OD1-NH2 3.37Å; D240-R244 IonicContact OD2-CZ 2.78Å; D240-R244 IonicContact OD2-NE 3.87Å; D240-R244 PolarHBondContact OD2-NE 3.27Å; D240-R244 IonicContact OD2-NH2 3.3Å; D240-R244 PolarHBondContact OD2-NH2 3.12Å
241	Q	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.6	-44.9	173.8	-172.1	65.7	26	0	0	111.9	R195 L203 F233 G235 D237 N238 Y239 V243 R244 I245	R195-Q241 HydrophobicContact CG-CB 4.2Å; R195-Q241 HydrophobicContact CG-CG 4.23Å; L203-Q241 HydrophobicContact CD1-CB 4.14Å; L203-Q241 HydrophobicContact CD1-CG 3.8Å; L203-Q241 HydrophobicContact CD2-CB 4.29Å; L203-Q241 HydrophobicContact CD2-CG 4.32Å; F233-Q241 PolarHBondContact O-NE2 2.95Å; F233-Q241 PolarHBondContact O-OE1 3.44Å; G235-Q241 VanDerWaalsContact CA-OE1 3.29Å; D237-Q241 WeakPolarHBondContact O-CB 3.16Å; D237-Q241 PolarHBondContact O-N 2.82Å; N238-Q241 WeakPolarHBondContact O-CB 3.36Å; Y239-Q241 PolarHBondContact O-N 3.08Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; Q241-R244 PolarHBondContact O-N 3.43Å; Q241-I245 HydrophobicContact CG-CD1 4.46Å; Q241-I245 WeakPolarHBondContact O-CG1 3.4Å; Q241-I245 PolarHBondContact O-N 3.31Å
242	L	98.8	Very high	98.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-37.8	176.6	-172.6	62.1	0	0	0	111.4	P200 L203 V204 Y239 D240 R244 I245 A246 L254 F269 L273	P200-L242 HydrophobicContact CB-CD1 4.5Å; L203-L242 HydrophobicContact CB-CB 4.26Å; L203-L242 HydrophobicContact CB-CD1 4.37Å; L203-L242 HydrophobicContact CD1-CB 4.1Å; L203-L242 HydrophobicContact CD1-CD1 4.28Å; V204-L242 HydrophobicContact CG1-CD1 4.45Å; V204-L242 HydrophobicContact CG1-CD2 3.59Å; Y239-L242 PolarHBondContact O-N 2.97Å; Y239-L242 VanDerWaalsContact O-N 3.15Å; D240-L242 VanDerWaalsContact C-N 3.32Å; D240-L242 PolarHBondContact O-N 3.44Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.09Å; L242-I245 WeakPolarHBondContact O-CB 3.37Å; L242-I245 PolarHBondContact O-N 2.93Å; L242-I245 VanDerWaalsContact O-N 3.16Å; L242-A246 WeakPolarHBondContact O-CB 3.37Å; L242-A246 PolarHBondContact O-N 2.89Å; L242-L254 HydrophobicContact CD1-CD1 4.25Å; L242-L254 HydrophobicContact CD1-CD2 4.42Å; L242-L254 HydrophobicContact CD2-CD2 4.44Å; L242-L254 HydrophobicContact CG-CD2 4.36Å; L242-F269 HydrophobicContact CB-CE1 3.89Å; L242-F269 HydrophobicContact CB-CZ 4.42Å; L242-F269 HydrophobicContact CD2-CD1 3.96Å; L242-F269 HydrophobicContact CD2-CE1 3.57Å; L242-F269 HydrophobicContact CD2-CE2 4.41Å; L242-F269 HydrophobicContact CD2-CZ 3.81Å; L242-F269 HydrophobicContact CG-CE1 4.31Å; L242-L273 HydrophobicContact CD2-CD2 4.13Å; L242-L273 HydrophobicContact CG-CD2 4.02Å
243	V	98.8	Very high	98.6	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-41.8	174	179	0	0	0	0	111.3	Y239 D240 Q241 I245 A246 K247 I272 L273	Y239-V243 PolarHBondContact O-N 2.89Å; D240-V243 WeakPolarHBondContact O-CB 3.49Å; D240-V243 PolarHBondContact O-N 3.07Å; D240-V243 VanDerWaalsContact O-N 3.13Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; V243-I245 VanDerWaalsContact C-N 3.29Å; V243-I245 PolarHBondContact O-N 3.03Å; V243-A246 PolarHBondContact O-N 3.39Å; V243-K247 HydrophobicContact CG1-CD 4.24Å; V243-K247 WeakPolarHBondContact O-CG 3.22Å; V243-K247 PolarHBondContact O-N 3.17Å; V243-I272 HydrophobicContact CG2-CB 4.1Å; V243-I272 HydrophobicContact CG2-CD1 3.92Å; V243-I272 HydrophobicContact CG2-CG1 3.84Å; V243-I272 WeakPolarHBondContact CG2-O 3.32Å; V243-L273 HydrophobicContact CG2-CD2 4.17Å
244	R	98.8	Very high	98.6	Very high	75 Å²	75	38 Å²	38	28%	0.283	18%	0.179	S	C	.	.	H	α-helix	trans	-63.3	-36.9	176.1	-60.5	-45.7	169	156.1	-0.9	112.3	F233 H236 D240 Q241 L242	F233-R244 HydrophobicContact CB-CB 4.4Å; F233-R244 HydrophobicContact CD1-CB 4.46Å; H236-R244 PolarHBondContact CD2-NH2 3.45Å; H236-R244 PolarHBondContact NE2-NH2 3.47Å; H236-R244 VanDerWaalsContact NE2-NH2 3.12Å; D240-R244 WeakPolarHBondContact O-CG 3.47Å; D240-R244 PolarHBondContact O-N 3.09Å; D240-R244 IonicContact OD1-CZ 3.25Å; D240-R244 IonicContact OD1-NE 3.55Å; D240-R244 PolarHBondContact OD1-NE 2.77Å; D240-R244 IonicContact OD1-NH2 3.57Å; D240-R244 PolarHBondContact OD1-NH2 3.37Å; D240-R244 IonicContact OD2-CZ 2.78Å; D240-R244 IonicContact OD2-NE 3.87Å; D240-R244 PolarHBondContact OD2-NE 3.27Å; D240-R244 IonicContact OD2-NH2 3.3Å; D240-R244 PolarHBondContact OD2-NH2 3.12Å; Q241-R244 PolarHBondContact O-N 3.43Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.09Å
245	I	98.9	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-49.7	175.4	-63.9	163	0	0	0	110	L203 W216 F233 Q241 L242 V243 K247 V248 L249 Y307	L203-I245 HydrophobicContact CD1-CD1 3.65Å; W216-I245 HydrophobicContact CH2-CD1 4.28Å; W216-I245 HydrophobicContact CH2-CG1 4.37Å; W216-I245 HydrophobicContact CH2-CG2 3.62Å; W216-I245 HydrophobicContact CZ2-CD1 3.6Å; W216-I245 HydrophobicContact CZ2-CG1 3.92Å; W216-I245 HydrophobicContact CZ2-CG2 4.03Å; F233-I245 HydrophobicContact CB-CG1 4.33Å; F233-I245 HydrophobicContact CD1-CB 4.49Å; F233-I245 HydrophobicContact CD1-CG1 3.93Å; F233-I245 HydrophobicContact CD2-CG1 4.1Å; F233-I245 HydrophobicContact CE1-CB 4.45Å; F233-I245 HydrophobicContact CE1-CG1 4.21Å; F233-I245 HydrophobicContact CE2-CG1 4.37Å; F233-I245 HydrophobicContact CG-CG1 3.87Å; F233-I245 HydrophobicContact CZ-CG1 4.42Å; Q241-I245 HydrophobicContact CG-CD1 4.46Å; Q241-I245 WeakPolarHBondContact O-CG1 3.4Å; Q241-I245 PolarHBondContact O-N 3.31Å; L242-I245 WeakPolarHBondContact O-CB 3.37Å; L242-I245 PolarHBondContact O-N 2.93Å; L242-I245 VanDerWaalsContact O-N 3.16Å; V243-I245 VanDerWaalsContact C-N 3.29Å; V243-I245 PolarHBondContact O-N 3.03Å; I245-K247 VanDerWaalsContact C-N 3.28Å; I245-K247 PolarHBondContact O-N 2.93Å; I245-V248 PolarHBondContact O-N 3.05Å; I245-L249 HydrophobicContact CG2-CD1 3.79Å; I245-L249 HydrophobicContact CG2-CG 4.16Å; I245-L249 PolarHBondContact O-N 3.06Å; I245-Y307 HydrophobicContact CG2-CE1 3.6Å
246	A	98.8	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.7	-35.9	177.8	0	0	0	0	0	114	L242 V243 V248 G250 T251 L254 L273 H276 Y307	L242-A246 WeakPolarHBondContact O-CB 3.37Å; L242-A246 PolarHBondContact O-N 2.89Å; V243-A246 PolarHBondContact O-N 3.39Å; A246-V248 PolarHBondContact O-N 2.98Å; A246-G250 CarbonylContact O-C 3.2Å; A246-G250 WeakPolarHBondContact O-CA 3.27Å; A246-G250 PolarHBondContact O-N 3.09Å; A246-T251 HydrophobicContact CB-CG2 4Å; A246-L254 HydrophobicContact CB-CD2 4.31Å; A246-L273 HydrophobicContact CB-CD2 4.24Å; A246-H276 WeakPolarHBondContact O-CB 3.4Å; A246-Y307 WeakPolarHBondContact CA-OH 3.38Å; A246-Y307 PolarHBondContact N-OH 2.94Å
247	K	98.8	Very high	98.7	Very high	86 Å²	86	36.3 Å²	36.3	37%	0.374	17%	0.172	S	C	.	.	H	α-helix	trans	-64.5	-19.2	175.1	-78	174.8	178.9	174.2	0	114.2	V243 I245 H276 K279	V243-K247 HydrophobicContact CG1-CD 4.24Å; V243-K247 WeakPolarHBondContact O-CG 3.22Å; V243-K247 PolarHBondContact O-N 3.17Å; I245-K247 VanDerWaalsContact C-N 3.28Å; I245-K247 PolarHBondContact O-N 2.93Å; K247-H276 WeakPolarHBondContact CE-NE2 3.47Å; K247-H276 VanDerWaalsContact CG-NE2 3.33Å; K247-H276 WeakPolarHBondContact CG-NE2 3.37Å; K247-K279 WeakPolarHBondContact O-CE 3.4Å; K247-K279 WeakPolarHBondContact O-CG 3.22Å
248	V	98.8	Very high	98.7	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-105.5	-54.1	179.2	-178.4	0	0	0	0	111.2	F232 F233 I245 A246 G250 K279 W281 F284	F232-V248 HydrophobicContact CE1-CG1 4.47Å; F233-V248 HydrophobicContact CD1-CG2 4.41Å; F233-V248 HydrophobicContact CE1-CB 3.86Å; F233-V248 HydrophobicContact CE1-CG1 4.34Å; F233-V248 HydrophobicContact CE1-CG2 3.75Å; I245-V248 PolarHBondContact O-N 3.05Å; A246-V248 PolarHBondContact O-N 2.98Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 3.36Å; V248-K279 PolarHBondContact O-N 3.14Å; V248-W281 HydrophobicContact CG1-CH2 3.98Å; V248-W281 HydrophobicContact CG1-CZ3 3.76Å; V248-F284 HydrophobicContact CB-CZ 4.42Å; V248-F284 HydrophobicContact CG1-CE2 3.86Å; V248-F284 HydrophobicContact CG1-CZ 3.8Å; V248-F284 HydrophobicContact CG2-CZ 3.84Å
249	L	98.9	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-81.7	-11.7	-175.7	-59.9	-172.6	0	0	0	113.2	W216 I245 R278 W281 L305 Y307	W216-L249 HydrophobicContact CH2-CD1 3.68Å; W216-L249 HydrophobicContact CZ3-CD1 3.85Å; I245-L249 HydrophobicContact CG2-CD1 3.79Å; I245-L249 HydrophobicContact CG2-CG 4.16Å; I245-L249 PolarHBondContact O-N 3.06Å; L249-R278 WeakPolarHBondContact O-CB 3.36Å; L249-R278 WeakPolarHBondContact O-CG 3.08Å; L249-W281 HydrophobicContact CD2-CH2 3.94Å; L249-W281 HydrophobicContact CD2-CZ2 3.98Å; L249-L305 WeakPolarHBondContact CD1-O 3.45Å; L249-L305 HydrophobicContact CD2-CB 4.46Å; L249-Y307 HydrophobicContact CB-CD2 4.25Å; L249-Y307 HydrophobicContact CB-CE2 3.36Å; L249-Y307 HydrophobicContact CD1-CD2 4.37Å; L249-Y307 HydrophobicContact CD1-CE1 4.42Å; L249-Y307 HydrophobicContact CD1-CE2 4.08Å; L249-Y307 HydrophobicContact CG-CE2 4.37Å
250	G	98.7	Very high	98.7	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	19%	0.186	C	C	.	.			trans	88.6	156.3	-178.9	0	0	0	0	0	112.6	A246 V248 H276 Y307	A246-G250 CarbonylContact O-C 3.2Å; A246-G250 WeakPolarHBondContact O-CA 3.27Å; A246-G250 PolarHBondContact O-N 3.09Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 3.36Å; G250-H276 CarbonylContact C-O 3.5Å; G250-H276 WeakPolarHBondContact CA-O 3.42Å; G250-Y307 WeakPolarHBondContact O-CE2 3.48Å; G250-Y307 PolarHBondContact O-OH 2.93Å; G250-Y307 VanDerWaalsContact O-OH 3.11Å
251	T	98.6	Very high	98.7	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-87.3	-22.9	-180	49.3	0	0	0	0	112.9	A246 L254 Y255 H276	A246-T251 HydrophobicContact CB-CG2 4Å; T251-L254 PolarHBondContact O-N 3.15Å; T251-Y255 WeakPolarHBondContact O-CD2 3.41Å; T251-Y255 PolarHBondContact O-N 3.39Å; T251-H276 HydrophobicContact CG2-CB 4.12Å; T251-H276 PolarHBondContact N-O 3.45Å; T251-H276 PolarHBondContact OG1-N 3.04Å; T251-H276 PolarHBondContact OG1-O 2.99Å
252	E	98.6	Very high	98.7	Very high	111 Å²	111	41.4 Å²	41.4	52%	0.519	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-56.5	179.1	-68.3	176.2	178.9	0	0	110.2	L254 Y255 D256 R275	E252-L254 PolarHBondContact O-N 3.16Å; E252-L254 VanDerWaalsContact O-N 3.09Å; E252-Y255 PolarHBondContact O-N 3.32Å; E252-D256 PolarHBondContact O-N 2.97Å; E252-R275 IonicContact OE1-CZ 3.25Å; E252-R275 IonicContact OE1-NE 3.53Å; E252-R275 IonicContact OE1-NH2 3.32Å; E252-R275 PolarHBondContact OE1-NH2 3.28Å
253	D	98.6	Very high	98.7	Very high	64 Å²	64	42.2 Å²	42.2	34%	0.342	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-28.7	174.9	-61	-2.6	0	0	0	113.6	Y257 R278 Y307	D253-Y257 WeakPolarHBondContact O-CB 3.43Å; D253-Y257 PolarHBondContact O-N 3.45Å; D253-R278 IonicContact OD2-NH1 2.7Å; D253-R278 PolarHBondContact OD2-NH1 3.13Å; D253-Y307 HydrophobicContact CB-CD2 3.68Å; D253-Y307 HydrophobicContact CB-CE2 3.97Å
254	L	98.8	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.4	-45.9	176.6	173.4	59.8	0	0	0	111.3	L242 A246 T251 E252 Y257 I258 L273 Y307	L242-L254 HydrophobicContact CD1-CD1 4.25Å; L242-L254 HydrophobicContact CD1-CD2 4.42Å; L242-L254 HydrophobicContact CD2-CD2 4.44Å; L242-L254 HydrophobicContact CG-CD2 4.36Å; A246-L254 HydrophobicContact CB-CD2 4.31Å; T251-L254 PolarHBondContact O-N 3.15Å; E252-L254 PolarHBondContact O-N 3.16Å; E252-L254 VanDerWaalsContact O-N 3.09Å; L254-Y257 HydrophobicContact CD1-CD1 4.5Å; L254-Y257 WeakPolarHBondContact O-CB 3.42Å; L254-Y257 PolarHBondContact O-N 3.43Å; L254-I258 HydrophobicContact CD1-CD1 4Å; L254-I258 HydrophobicContact CD1-CG1 4.37Å; L254-I258 HydrophobicContact CG-CD1 3.98Å; L254-I258 VanDerWaalsContact O-CG1 3.32Å; L254-I258 WeakPolarHBondContact O-CG1 3.46Å; L254-I258 PolarHBondContact O-N 3.21Å; L254-L273 HydrophobicContact CD2-CD1 4.01Å; L254-L273 HydrophobicContact CD2-CD2 4.04Å; L254-Y307 HydrophobicContact CB-CD1 4.33Å; L254-Y307 HydrophobicContact CB-CD2 4.25Å; L254-Y307 HydrophobicContact CB-CE1 3.98Å; L254-Y307 HydrophobicContact CB-CE2 3.86Å; L254-Y307 HydrophobicContact CB-CG 4.46Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.7Å; L254-Y307 HydrophobicContact CD1-CG 4.44Å; L254-Y307 HydrophobicContact CG-CE1 4.26Å
255	Y	98.6	Very high	98.4	Very high	84 Å²	84	48 Å²	48	33%	0.329	23%	0.232	S	C	.	.	H	α-helix	trans	-69.1	-38	178.4	-72	-59.6	0	0	0	111.4	T251 E252 Y257 I258 D259	T251-Y255 WeakPolarHBondContact O-CD2 3.41Å; T251-Y255 PolarHBondContact O-N 3.39Å; E252-Y255 PolarHBondContact O-N 3.32Å; Y255-Y257 VanDerWaalsContact C-N 3.26Å; Y255-Y257 PolarHBondContact O-N 3.49Å; Y255-I258 HydrophobicContact CD1-CD1 4.1Å; Y255-I258 HydrophobicContact CE1-CD1 4.48Å; Y255-I258 PolarHBondContact O-N 3.21Å; Y255-I258 VanDerWaalsContact O-N 3.12Å; Y255-D259 WeakPolarHBondContact O-CB 3.39Å; Y255-D259 PolarHBondContact O-N 3.13Å
256	D	98.8	Very high	98.3	Very high	105 Å²	105	52.3 Å²	52.3	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-58.2	-39.5	172.4	-71	-10.9	0	0	0	111.8	E252 K260	E252-D256 PolarHBondContact O-N 2.97Å; D256-K260 WeakPolarHBondContact O-CB 3.03Å; D256-K260 PolarHBondContact O-N 2.92Å
257	Y	98.8	Very high	98.1	Very high	6 Å²	6	56.8 Å²	56.8	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-45.4	174.1	167.5	-108.1	0	0	0	112.4	V204 D253 L254 Y255 D259 K260 Y261 I263 D308 H309	V204-Y257 HydrophobicContact CG2-CE1 3.99Å; D253-Y257 WeakPolarHBondContact O-CB 3.43Å; D253-Y257 PolarHBondContact O-N 3.45Å; L254-Y257 HydrophobicContact CD1-CD1 4.5Å; L254-Y257 WeakPolarHBondContact O-CB 3.42Å; L254-Y257 PolarHBondContact O-N 3.43Å; Y255-Y257 VanDerWaalsContact C-N 3.26Å; Y255-Y257 PolarHBondContact O-N 3.49Å; Y257-D259 VanDerWaalsContact C-N 3.34Å; Y257-D259 PolarHBondContact O-N 3.09Å; Y257-K260 PolarHBondContact O-N 3.04Å; Y257-Y261 AromaticContact CD2-CD2 3.48Å; Y257-Y261 HydrophobicContact CD2-CD2 3.48Å; Y257-Y261 VanDerWaalsContact CD2-CD2 3.48Å; Y257-Y261 AromaticContact CD2-CE2 3.51Å; Y257-Y261 HydrophobicContact CD2-CE2 3.51Å; Y257-Y261 AromaticContact CE2-CD2 3.31Å; Y257-Y261 HydrophobicContact CE2-CD2 3.31Å; Y257-Y261 AromaticContact CE2-CE2 3.36Å; Y257-Y261 HydrophobicContact CE2-CE2 3.36Å; Y257-Y261 HydrophobicContact CE2-CG 4.41Å; Y257-Y261 HydrophobicContact CG-CD2 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.39Å; Y257-Y261 PolarHBondContact O-N 3.27Å; Y257-I263 HydrophobicContact CD1-CD1 4.28Å; Y257-I263 HydrophobicContact CE1-CD1 3.63Å; Y257-D308 VanDerWaalsContact CD2-CA 3.45Å; Y257-D308 HydrophobicContact CD2-CB 3.94Å; Y257-H309 AromaticContact CE2-ND1 3.69Å
258	I	98.6	Very high	97.9	Very high	11 Å²	11	58.2 Å²	58.2	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-46.2	177.6	-71.9	165.3	0	0	0	110.5	L254 Y255 Y261 N262 I263 L265	L254-I258 HydrophobicContact CD1-CD1 4Å; L254-I258 HydrophobicContact CD1-CG1 4.37Å; L254-I258 HydrophobicContact CG-CD1 3.98Å; L254-I258 VanDerWaalsContact O-CG1 3.32Å; L254-I258 WeakPolarHBondContact O-CG1 3.46Å; L254-I258 PolarHBondContact O-N 3.21Å; Y255-I258 HydrophobicContact CD1-CD1 4.1Å; Y255-I258 HydrophobicContact CE1-CD1 4.48Å; Y255-I258 PolarHBondContact O-N 3.21Å; Y255-I258 VanDerWaalsContact O-N 3.12Å; I258-Y261 PolarHBondContact O-N 2.52Å; I258-N262 WeakPolarHBondContact O-CA 3.42Å; I258-N262 PolarHBondContact O-N 3.31Å; I258-I263 HydrophobicContact CG2-CB 4.21Å; I258-I263 WeakPolarHBondContact CG2-O 3.45Å; I258-I263 PolarHBondContact O-N 3.34Å; I258-L265 HydrophobicContact CD1-CD1 3.99Å; I258-L265 HydrophobicContact CD1-CD2 3.96Å; I258-L265 HydrophobicContact CD1-CG 4.39Å
259	D	98.6	Very high	97.7	Very high	120 Å²	120	57.9 Å²	57.9	64%	0.642	28%	0.282	S	S	*	.	H	α-helix	trans	-65.7	-45.6	179.7	-71.7	-11.6	0	0	0	111.3	Y255 Y257 Y261 N262	Y255-D259 WeakPolarHBondContact O-CB 3.39Å; Y255-D259 PolarHBondContact O-N 3.13Å; Y257-D259 VanDerWaalsContact C-N 3.34Å; Y257-D259 PolarHBondContact O-N 3.09Å; D259-Y261 PolarHBondContact O-N 2.86Å; D259-N262 PolarHBondContact O-N 3.23Å; D259-N262 VanDerWaalsContact O-N 3.1Å
260	K	98.7	Very high	97.3	Very high	109 Å²	109	63 Å²	63	47%	0.474	31%	0.309	S	S	.	.	H	α-helix	trans	-53.9	-41.9	178.2	174.7	177.3	175.1	177.6	0	112.5	D256 Y257 D308	D256-K260 WeakPolarHBondContact O-CB 3.03Å; D256-K260 PolarHBondContact O-N 2.92Å; Y257-K260 PolarHBondContact O-N 3.04Å; K260-D308 IonicContact NZ-OD1 3.22Å; K260-D308 IonicContact NZ-OD2 2.72Å; K260-D308 PolarHBondContact NZ-OD2 2.82Å
261	Y	98.6	Very high	97.1	Very high	10 Å²	10	70.1 Å²	70.1	4%	0.039	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.8	-177.9	-66.9	-76.4	0	0	0	113.7	P4 V5 Y206 Y257 I258 D259 I263 D308 H309 Q310	P4-Y261 CarbonylContact C-O 3.56Å; P4-Y261 WeakPolarHBondContact CA-O 3.37Å; V5-Y261 HydrophobicContact CB-CD1 4.5Å; V5-Y261 PolarHBondContact N-O 2.79Å; Y206-Y261 HydrophobicContact CE2-CD1 4.2Å; Y206-Y261 HydrophobicContact CE2-CG 4.3Å; Y206-Y261 AromaticContact CZ-CD1 3.9Å; Y257-Y261 AromaticContact CD2-CD2 3.48Å; Y257-Y261 HydrophobicContact CD2-CD2 3.48Å; Y257-Y261 VanDerWaalsContact CD2-CD2 3.48Å; Y257-Y261 AromaticContact CD2-CE2 3.51Å; Y257-Y261 HydrophobicContact CD2-CE2 3.51Å; Y257-Y261 AromaticContact CE2-CD2 3.31Å; Y257-Y261 HydrophobicContact CE2-CD2 3.31Å; Y257-Y261 AromaticContact CE2-CE2 3.36Å; Y257-Y261 HydrophobicContact CE2-CE2 3.36Å; Y257-Y261 HydrophobicContact CE2-CG 4.41Å; Y257-Y261 HydrophobicContact CG-CD2 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.39Å; Y257-Y261 PolarHBondContact O-N 3.27Å; I258-Y261 PolarHBondContact O-N 2.52Å; D259-Y261 PolarHBondContact O-N 2.86Å; Y261-I263 VanDerWaalsContact C-N 3.26Å; Y261-I263 PolarHBondContact O-N 2.93Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.3Å; Y261-D308 PolarHBondContact OH-OD1 3.16Å; Y261-H309 AromaticContact CE1-CE1 3.87Å; Y261-H309 AromaticContact CE2-CE1 3.87Å; Y261-H309 AromaticContact CZ-CE1 3.53Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.34Å
262	N	98.3	Very high	97	Very high	65 Å²	65	73 Å²	73	35%	0.348	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	49.8	-176	-172	45	0	0	0	111.8	S2 G3 V5 I258 D259	S2-N262 PolarHBondContact O-ND2 3.19Å; S2-N262 PolarHBondContact OG-ND2 3.38Å; G3-N262 PolarHBondContact O-ND2 3.45Å; V5-N262 HydrophobicContact CG2-CB 3.95Å; I258-N262 WeakPolarHBondContact O-CA 3.42Å; I258-N262 PolarHBondContact O-N 3.31Å; D259-N262 PolarHBondContact O-N 3.23Å; D259-N262 VanDerWaalsContact O-N 3.1Å
263	I	98.3	Very high	96.9	Very high	17 Å²	17	67.7 Å²	67.7	9%	0.087	34%	0.337	C	S	.	.			trans	-81.2	126	-176.7	-62.5	170.9	0	0	0	109.1	V204 Y206 Y257 I258 Y261 L265	V204-I263 HydrophobicContact CB-CG2 4.07Å; V204-I263 HydrophobicContact CG2-CD1 3.86Å; V204-I263 HydrophobicContact CG2-CG2 3.96Å; V204-I263 WeakPolarHBondContact O-CG2 3.35Å; Y206-I263 HydrophobicContact CD2-CD1 3.94Å; Y206-I263 HydrophobicContact CD2-CG1 3.84Å; Y206-I263 HydrophobicContact CG-CD1 4.12Å; Y206-I263 HydrophobicContact CG-CG1 4.48Å; Y257-I263 HydrophobicContact CD1-CD1 4.28Å; Y257-I263 HydrophobicContact CE1-CD1 3.63Å; I258-I263 HydrophobicContact CG2-CB 4.21Å; I258-I263 WeakPolarHBondContact CG2-O 3.45Å; I258-I263 PolarHBondContact O-N 3.34Å; Y261-I263 VanDerWaalsContact C-N 3.26Å; Y261-I263 PolarHBondContact O-N 2.93Å; I263-L265 PolarHBondContact O-N 2.95Å; I263-L265 VanDerWaalsContact O-N 3.12Å
264	E	97	Very high	96.7	Very high	173 Å²	173	66.9 Å²	66.9	81%	0.808	34%	0.344	S	S	*	.			trans	-76.9	99.1	171.8	-170.7	175.5	178.2	0	0	109.6
265	L	95.6	Very high	96.7	Very high	29 Å²	29	76.2 Å²	76.2	15%	0.152	38%	0.379	C	S	.	.			trans	-73.9	131.3	179.6	-166.9	70.3	0	0	0	110.7	V204 I258 I263 F269 L273	V204-L265 HydrophobicContact CB-CD1 4.06Å; V204-L265 HydrophobicContact CG1-CD1 3.71Å; I258-L265 HydrophobicContact CD1-CD1 3.99Å; I258-L265 HydrophobicContact CD1-CD2 3.96Å; I258-L265 HydrophobicContact CD1-CG 4.39Å; I263-L265 PolarHBondContact O-N 2.95Å; I263-L265 VanDerWaalsContact O-N 3.12Å; L265-F269 HydrophobicContact CD1-CB 4.34Å; L265-F269 HydrophobicContact CD1-CD2 3.57Å; L265-F269 HydrophobicContact CD1-CE2 4.08Å; L265-F269 HydrophobicContact CD1-CG 4.09Å; L265-F269 HydrophobicContact CD2-CB 3.59Å; L265-F269 HydrophobicContact CD2-CD2 4.39Å; L265-F269 HydrophobicContact CD2-CG 4.24Å; L265-F269 HydrophobicContact CG-CB 3.83Å; L265-F269 HydrophobicContact CG-CD2 3.73Å; L265-F269 HydrophobicContact CG-CG 4.08Å; L265-L273 HydrophobicContact CD2-CD1 3.89Å
266	E	95	Very high	96.7	Very high	92 Å²	92	74.6 Å²	74.6	43%	0.43	37%	0.374	S	S	.	.			trans	-59	134.2	179.3	-169.3	-179.6	160.1	0	0	111.3	Y239 R268 F269	Y239-E266 WeakPolarHBondContact CE1-OE2 3.41Å; Y239-E266 VanDerWaalsContact CZ-OE2 3.23Å; Y239-E266 PolarHBondContact OH-OE1 2.76Å; Y239-E266 PolarHBondContact OH-OE2 3.24Å; E266-R268 HydrophobicContact CG-CB 4.48Å; E266-R268 PolarHBondContact O-N 3.45Å; E266-F269 HydrophobicContact CB-CD2 4Å; E266-F269 HydrophobicContact CB-CE2 4.22Å; E266-F269 WeakPolarHBondContact O-CB 3.18Å; E266-F269 WeakPolarHBondContact O-CD2 3.3Å; E266-F269 PolarHBondContact O-N 3.02Å
267	P	94.8	Very high	96.7	Very high	94 Å²	94	73.2 Å²	73.2	61%	0.61	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-54.8	-27.5	-174.3	-29.6	35.2	0	0	0	115	F269 N270	P267-F269 PolarHBondContact O-N 3.06Å; P267-F269 VanDerWaalsContact O-N 3.13Å; P267-N270 VanDerWaalsContact O-CB 3.3Å; P267-N270 WeakPolarHBondContact O-CB 3.45Å; P267-N270 PolarHBondContact O-N 3.32Å; P267-N270 VanDerWaalsContact O-N 3.09Å; P267-N270 PolarHBondContact O-ND2 3.42Å
268	R	94.6	Very high	96.6	Very high	116 Å²	116	77 Å²	77	44%	0.438	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-56.2	-27.6	175.8	-178.3	172.1	173.4	-169.8	-7.5	112.8	D237 Y239 E266 N270	D237-R268 IonicContact OD2-NH2 3.16Å; D237-R268 PolarHBondContact OD2-NH2 2.98Å; Y239-R268 HydrophobicContact CD1-CB 4.36Å; Y239-R268 HydrophobicContact CD1-CG 4.08Å; Y239-R268 HydrophobicContact CE1-CB 4.18Å; Y239-R268 HydrophobicContact CE1-CG 4.25Å; E266-R268 HydrophobicContact CG-CB 4.48Å; E266-R268 PolarHBondContact O-N 3.45Å; R268-N270 VanDerWaalsContact C-N 3.31Å; R268-N270 PolarHBondContact O-N 2.95Å
269	F	95.4	Very high	96.6	Very high	4 Å²	4	79 Å²	79	2%	0.018	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-71.5	-24.2	179.6	-74.8	-64.6	0	0	0	114	Y239 L242 L265 E266 P267 D271 I272 L273	Y239-F269 HydrophobicContact CD1-CD1 4.33Å; Y239-F269 HydrophobicContact CD1-CD2 4.42Å; Y239-F269 AromaticContact CD1-CE1 3.72Å; Y239-F269 HydrophobicContact CD1-CE1 3.72Å; Y239-F269 AromaticContact CD1-CE2 3.85Å; Y239-F269 HydrophobicContact CD1-CE2 3.85Å; Y239-F269 AromaticContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CD1-CZ 3.47Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CE1-CE2 4.03Å; Y239-F269 HydrophobicContact CE1-CZ 4.06Å; Y239-F269 HydrophobicContact CG-CE1 4.37Å; Y239-F269 HydrophobicContact CG-CZ 4.31Å; L242-F269 HydrophobicContact CB-CE1 3.89Å; L242-F269 HydrophobicContact CB-CZ 4.42Å; L242-F269 HydrophobicContact CD2-CD1 3.96Å; L242-F269 HydrophobicContact CD2-CE1 3.57Å; L242-F269 HydrophobicContact CD2-CE2 4.41Å; L242-F269 HydrophobicContact CD2-CZ 3.81Å; L242-F269 HydrophobicContact CG-CE1 4.31Å; L265-F269 HydrophobicContact CD1-CB 4.34Å; L265-F269 HydrophobicContact CD1-CD2 3.57Å; L265-F269 HydrophobicContact CD1-CE2 4.08Å; L265-F269 HydrophobicContact CD1-CG 4.09Å; L265-F269 HydrophobicContact CD2-CB 3.59Å; L265-F269 HydrophobicContact CD2-CD2 4.39Å; L265-F269 HydrophobicContact CD2-CG 4.24Å; L265-F269 HydrophobicContact CG-CB 3.83Å; L265-F269 HydrophobicContact CG-CD2 3.73Å; L265-F269 HydrophobicContact CG-CG 4.08Å; E266-F269 HydrophobicContact CB-CD2 4Å; E266-F269 HydrophobicContact CB-CE2 4.22Å; E266-F269 WeakPolarHBondContact O-CB 3.18Å; E266-F269 WeakPolarHBondContact O-CD2 3.3Å; E266-F269 PolarHBondContact O-N 3.02Å; P267-F269 PolarHBondContact O-N 3.06Å; P267-F269 VanDerWaalsContact O-N 3.13Å; F269-D271 PolarHBondContact O-N 2.89Å; F269-I272 HydrophobicContact CD1-CD1 3.86Å; F269-I272 HydrophobicContact CD1-CG1 4.15Å; F269-I272 HydrophobicContact CE1-CD1 4.24Å; F269-I272 PolarHBondContact O-N 3.03Å; F269-L273 HydrophobicContact CB-CD1 3.84Å; F269-L273 HydrophobicContact CB-CG 4.11Å; F269-L273 HydrophobicContact CD1-CD1 4.34Å; F269-L273 HydrophobicContact CD1-CD2 4.22Å; F269-L273 HydrophobicContact CD1-CG 4.09Å; F269-L273 HydrophobicContact CG-CD1 4.37Å; F269-L273 PolarHBondContact O-N 3.3Å; F269-L273 VanDerWaalsContact O-N 3.13Å
270	N	90.9	Very high	96.6	Very high	109 Å²	109	81.8 Å²	81.8	58%	0.583	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-57.3	-36.7	-177.5	-65.4	-16.1	0	0	0	112.2	P267 R268	P267-N270 VanDerWaalsContact O-CB 3.3Å; P267-N270 WeakPolarHBondContact O-CB 3.45Å; P267-N270 PolarHBondContact O-N 3.32Å; P267-N270 VanDerWaalsContact O-N 3.09Å; P267-N270 PolarHBondContact O-ND2 3.42Å; R268-N270 VanDerWaalsContact C-N 3.31Å; R268-N270 PolarHBondContact O-N 2.95Å
271	D	93.9	Very high	96.6	Very high	150 Å²	150	77.2 Å²	77.2	80%	0.802	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-91.2	-16.2	-175.2	-59.6	-38.4	0	0	0	113.7	F269	F269-D271 PolarHBondContact O-N 2.89Å
272	I	96.6	Very high	96.6	Very high	63 Å²	63	81.1 Å²	81.1	32%	0.323	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-23.4	-168.1	66.8	173.8	0	0	0	114.8	V243 F269	V243-I272 HydrophobicContact CG2-CB 4.1Å; V243-I272 HydrophobicContact CG2-CD1 3.92Å; V243-I272 HydrophobicContact CG2-CG1 3.84Å; V243-I272 WeakPolarHBondContact CG2-O 3.32Å; F269-I272 HydrophobicContact CD1-CD1 3.86Å; F269-I272 HydrophobicContact CD1-CG1 4.15Å; F269-I272 HydrophobicContact CE1-CD1 4.24Å; F269-I272 PolarHBondContact O-N 3.03Å
273	L	96.2	Very high	96.6	Very high	0 Å²	0	86.8 Å²	86.8	0%	0	41%	0.412	C	S	.	.	S	Bend	trans	-71.6	-35.3	-178.4	-74.9	176.6	0	0	0	112.5	L242 V243 A246 L254 L265 F269 H276	L242-L273 HydrophobicContact CD2-CD2 4.13Å; L242-L273 HydrophobicContact CG-CD2 4.02Å; V243-L273 HydrophobicContact CG2-CD2 4.17Å; A246-L273 HydrophobicContact CB-CD2 4.24Å; L254-L273 HydrophobicContact CD2-CD1 4.01Å; L254-L273 HydrophobicContact CD2-CD2 4.04Å; L265-L273 HydrophobicContact CD2-CD1 3.89Å; F269-L273 HydrophobicContact CB-CD1 3.84Å; F269-L273 HydrophobicContact CB-CG 4.11Å; F269-L273 HydrophobicContact CD1-CD1 4.34Å; F269-L273 HydrophobicContact CD1-CD2 4.22Å; F269-L273 HydrophobicContact CD1-CG 4.09Å; F269-L273 HydrophobicContact CG-CD1 4.37Å; F269-L273 PolarHBondContact O-N 3.3Å; F269-L273 VanDerWaalsContact O-N 3.13Å; L273-H276 PolarHBondContact O-CD2 3Å; L273-H276 VanDerWaalsContact O-CD2 3.24Å; L273-H276 PolarHBondContact O-NE2 2.85Å
274	G	95.4	Very high	96.6	Very high	48 Å²	48	87.7 Å²	87.7	50%	0.495	42%	0.415	S	S	.	.			trans	58.4	-155.1	-175.5	0	0	0	0	0	112.8
275	R	97.7	Very high	96.6	Very high	196 Å²	196	81.9 Å²	81.9	74%	0.74	39%	0.391	S	S	*	.			trans	-122.5	126.7	172.5	-170.3	176.2	-179	-167.5	1.1	110.3	E252	E252-R275 IonicContact OE1-CZ 3.25Å; E252-R275 IonicContact OE1-NE 3.53Å; E252-R275 IonicContact OE1-NH2 3.32Å; E252-R275 PolarHBondContact OE1-NH2 3.28Å
276	H	98.4	Very high	96.7	Very high	50 Å²	50	84.4 Å²	84.4	23%	0.231	40%	0.402	C	S	.	.			trans	-137.2	134.4	-177.9	-62.5	-52.2	0	0	0	111.2	A246 K247 G250 T251 L273	A246-H276 WeakPolarHBondContact O-CB 3.4Å; K247-H276 WeakPolarHBondContact CE-NE2 3.47Å; K247-H276 VanDerWaalsContact CG-NE2 3.33Å; K247-H276 WeakPolarHBondContact CG-NE2 3.37Å; G250-H276 CarbonylContact C-O 3.5Å; G250-H276 WeakPolarHBondContact CA-O 3.42Å; T251-H276 HydrophobicContact CG2-CB 4.12Å; T251-H276 PolarHBondContact N-O 3.45Å; T251-H276 PolarHBondContact OG1-N 3.04Å; T251-H276 PolarHBondContact OG1-O 2.99Å; L273-H276 PolarHBondContact O-CD2 3Å; L273-H276 VanDerWaalsContact O-CD2 3.24Å; L273-H276 PolarHBondContact O-NE2 2.85Å
277	S	98.4	Very high	96.8	Very high	76 Å²	76	84.4 Å²	84.4	53%	0.531	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-78.8	143.9	168.7	58.1	0	0	0	0	111.3	K279	S277-K279 WeakPolarHBondContact O-CD 3.36Å; S277-K279 VanDerWaalsContact O-CE 3.23Å; S277-K279 WeakPolarHBondContact O-CE 3.25Å; S277-K279 PolarHBondContact O-N 3.45Å; S277-K279 PolarHBondContact O-NZ 3.35Å; S277-K279 VanDerWaalsContact O-NZ 3.08Å; S277-K279 PolarHBondContact OG-NZ 3Å
278	R	98.6	Very high	96.8	Very high	86 Å²	86	86.3 Å²	86.3	33%	0.325	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-53.9	130.5	170.4	-173.7	179.3	-177.6	89.1	6	110.1	L249 D253 D302	L249-R278 WeakPolarHBondContact O-CB 3.36Å; L249-R278 WeakPolarHBondContact O-CG 3.08Å; D253-R278 IonicContact OD2-NH1 2.7Å; D253-R278 PolarHBondContact OD2-NH1 3.13Å; R278-D302 IonicContact CZ-OD1 3.41Å; R278-D302 IonicContact NH2-OD1 3.66Å; R278-D302 PolarHBondContact NH2-OD1 3.35Å; R278-D302 IonicContact NH2-OD2 3.63Å
279	K	98.6	Very high	96.9	Very high	51 Å²	51	80.8 Å²	80.8	22%	0.222	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-93.2	136.1	-179.8	-54.5	-53	175.1	-152.8	0	109.6	K247 V248 S277	K247-K279 WeakPolarHBondContact O-CE 3.4Å; K247-K279 WeakPolarHBondContact O-CG 3.22Å; V248-K279 PolarHBondContact O-N 3.14Å; S277-K279 WeakPolarHBondContact O-CD 3.36Å; S277-K279 VanDerWaalsContact O-CE 3.23Å; S277-K279 WeakPolarHBondContact O-CE 3.25Å; S277-K279 PolarHBondContact O-N 3.45Å; S277-K279 PolarHBondContact O-NZ 3.35Å; S277-K279 VanDerWaalsContact O-NZ 3.08Å; S277-K279 PolarHBondContact OG-NZ 3Å
280	R	98.4	Very high	97	Very high	179 Å²	179	86.2 Å²	86.2	68%	0.675	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-62.5	135.4	164.1	-79.3	-169.9	67.1	-177.4	6	110.2	E282 R283	R280-E282 VanDerWaalsContact CB-OE2 3.3Å; R280-E282 WeakPolarHBondContact CB-OE2 3.19Å; R280-E282 IonicContact CZ-OE1 3.35Å; R280-E282 IonicContact CZ-OE2 2.73Å; R280-E282 IonicContact NE-OE1 2.7Å; R280-E282 IonicContact NE-OE2 2.74Å; R280-E282 PolarHBondContact NE-OE2 2.75Å; R280-E282 VanDerWaalsContact NH2-CD 3.33Å; R280-E282 IonicContact NH2-OE1 3.12Å; R280-E282 PolarHBondContact NH2-OE1 2.93Å; R280-E282 IonicContact NH2-OE2 2.7Å; R280-E282 PolarHBondContact O-N 2.67Å; R280-R283 WeakPolarHBondContact O-CB 3.38Å; R280-R283 PolarHBondContact O-N 2.91Å; R280-R283 VanDerWaalsContact O-N 3.11Å
281	W	98.6	Very high	97.3	Very high	14 Å²	14	86.1 Å²	86.1	5%	0.053	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-62.7	-27.7	-178	-67.4	118.1	0	0	0	112.9	F227 F232 V248 L249 R283 F284 L298 L301 D302 L305	F227-W281 AromaticContact CE2-CE3 3.96Å; F227-W281 HydrophobicContact CE2-CE3 3.96Å; F227-W281 HydrophobicContact CE2-CZ3 4.45Å; F227-W281 HydrophobicContact CZ-CB 4.23Å; F227-W281 HydrophobicContact CZ-CE3 4.14Å; F232-W281 AromaticContact CE1-CZ3 3.9Å; F232-W281 HydrophobicContact CE1-CZ3 3.9Å; F232-W281 HydrophobicContact CZ-CE3 4.46Å; F232-W281 AromaticContact CZ-CZ3 3.84Å; F232-W281 HydrophobicContact CZ-CZ3 3.84Å; V248-W281 HydrophobicContact CG1-CH2 3.98Å; V248-W281 HydrophobicContact CG1-CZ3 3.76Å; L249-W281 HydrophobicContact CD2-CH2 3.94Å; L249-W281 HydrophobicContact CD2-CZ2 3.98Å; W281-R283 PolarHBondContact O-N 3Å; W281-F284 AromaticContact CE3-CD2 3.95Å; W281-F284 HydrophobicContact CE3-CD2 3.95Å; W281-F284 AromaticContact CE3-CE2 3.94Å; W281-F284 HydrophobicContact CE3-CE2 3.94Å; W281-F284 HydrophobicContact CZ3-CE2 4.2Å; W281-F284 WeakPolarHBondContact O-CD2 3.38Å; W281-F284 PolarHBondContact O-N 3.37Å; W281-L298 HydrophobicContact CB-CB 4.5Å; W281-L298 HydrophobicContact CB-CD1 4.13Å; W281-L298 HydrophobicContact CB-CD2 3.86Å; W281-L298 HydrophobicContact CB-CG 4.38Å; W281-L301 HydrophobicContact CD2-CD2 4.29Å; W281-L301 HydrophobicContact CE3-CD2 4.11Å; W281-L301 HydrophobicContact CH2-CD2 4.44Å; W281-L301 HydrophobicContact CZ2-CG 4.47Å; W281-L301 HydrophobicContact CZ3-CD2 4.2Å; W281-D302 PolarHBondContact NE1-OD1 2.86Å; W281-L305 HydrophobicContact CH2-CB 4.38Å; W281-L305 HydrophobicContact CH2-CD1 3.68Å; W281-L305 HydrophobicContact CZ2-CB 4.36Å; W281-L305 HydrophobicContact CZ2-CD1 4.32Å; W281-L305 HydrophobicContact CZ3-CD1 4.43Å
282	E	97.6	Very high	97.4	Very high	91 Å²	91	79.3 Å²	79.3	43%	0.425	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-58.9	-20.8	176.1	-59.4	92.1	146.3	0	0	112.7	R280 F284 V285 L298	R280-E282 VanDerWaalsContact CB-OE2 3.3Å; R280-E282 WeakPolarHBondContact CB-OE2 3.19Å; R280-E282 IonicContact CZ-OE1 3.35Å; R280-E282 IonicContact CZ-OE2 2.73Å; R280-E282 IonicContact NE-OE1 2.7Å; R280-E282 IonicContact NE-OE2 2.74Å; R280-E282 PolarHBondContact NE-OE2 2.75Å; R280-E282 VanDerWaalsContact NH2-CD 3.33Å; R280-E282 IonicContact NH2-OE1 3.12Å; R280-E282 PolarHBondContact NH2-OE1 2.93Å; R280-E282 IonicContact NH2-OE2 2.7Å; R280-E282 PolarHBondContact O-N 2.67Å; E282-F284 PolarHBondContact O-N 2.98Å; E282-V285 PolarHBondContact O-N 3.05Å; E282-V285 VanDerWaalsContact O-N 3.15Å; E282-L298 HydrophobicContact CG-CD1 4.34Å
283	R	98	Very high	97.5	Very high	184 Å²	184	78 Å²	78	69%	0.694	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-58.8	-26.4	173.1	-177.6	179.2	176.2	103.8	3.2	113	R280 W281	R280-R283 WeakPolarHBondContact O-CB 3.38Å; R280-R283 PolarHBondContact O-N 2.91Å; R280-R283 VanDerWaalsContact O-N 3.11Å; W281-R283 PolarHBondContact O-N 3Å
284	F	98.3	Very high	97.5	Very high	37 Å²	37	78.8 Å²	78.8	16%	0.162	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-96	1	-177.3	-53.6	-74.7	0	0	0	112.9	F227 F232 V248 W281 E282 N289	F227-F284 HydrophobicContact CB-CB 4.48Å; F227-F284 HydrophobicContact CD1-CB 3.55Å; F227-F284 HydrophobicContact CD2-CB 4.25Å; F227-F284 HydrophobicContact CE1-CB 3.71Å; F227-F284 HydrophobicContact CE2-CB 4.37Å; F227-F284 HydrophobicContact CG-CB 3.85Å; F227-F284 HydrophobicContact CZ-CB 4.13Å; F227-F284 HydrophobicContact CZ-CD2 4.46Å; F232-F284 HydrophobicContact CE2-CD1 4.22Å; F232-F284 HydrophobicContact CE2-CG 4.19Å; F232-F284 HydrophobicContact CZ-CD1 4.21Å; F232-F284 HydrophobicContact CZ-CD2 4.07Å; F232-F284 HydrophobicContact CZ-CE1 4.19Å; F232-F284 HydrophobicContact CZ-CE2 4.05Å; F232-F284 HydrophobicContact CZ-CG 4.16Å; F232-F284 HydrophobicContact CZ-CZ 4.12Å; V248-F284 HydrophobicContact CB-CZ 4.42Å; V248-F284 HydrophobicContact CG1-CE2 3.86Å; V248-F284 HydrophobicContact CG1-CZ 3.8Å; V248-F284 HydrophobicContact CG2-CZ 3.84Å; W281-F284 AromaticContact CE3-CD2 3.95Å; W281-F284 HydrophobicContact CE3-CD2 3.95Å; W281-F284 AromaticContact CE3-CE2 3.94Å; W281-F284 HydrophobicContact CE3-CE2 3.94Å; W281-F284 HydrophobicContact CZ3-CE2 4.2Å; W281-F284 WeakPolarHBondContact O-CD2 3.38Å; W281-F284 PolarHBondContact O-N 3.37Å; E282-F284 PolarHBondContact O-N 2.98Å; F284-N289 PolarHBondContact O-ND2 2.92Å
285	V	98.1	Very high	97.7	Very high	51 Å²	51	81.5 Å²	81.5	31%	0.309	38%	0.384	S	S	.	.			trans	-87.3	132.8	-179	-175.8	0	0	0	0	110	F227 E282 N289 Q290 I293	F227-V285 HydrophobicContact CE1-CG2 4.13Å; E282-V285 PolarHBondContact O-N 3.05Å; E282-V285 VanDerWaalsContact O-N 3.15Å; V285-N289 WeakPolarHBondContact CA-OD1 3.4Å; V285-Q290 HydrophobicContact CG1-CB 4.03Å; V285-I293 HydrophobicContact CG1-CG1 4.39Å; V285-I293 HydrophobicContact CG2-CD1 4.47Å; V285-I293 HydrophobicContact CG2-CG1 4.1Å; V285-I293 HydrophobicContact CG2-CG2 4.01Å
286	H	97.3	Very high	97.7	Very high	82 Å²	82	76.2 Å²	76.2	38%	0.38	37%	0.368	S	S	.	.			trans	-147.6	176.1	175.4	58.5	93.8	0	0	0	110.7	E288 N289 Q290	H286-E288 IonicContact CE1-OE2 3.23Å; H286-E288 PolarHBondContact ND1-N 3.3Å; H286-E288 PolarHBondContact O-N 3.34Å; H286-N289 PolarHBondContact CD2-ND2 3.09Å; H286-N289 PolarHBondContact N-OD1 2.99Å; H286-N289 PolarHBondContact NE2-ND2 3.34Å; H286-N289 VanDerWaalsContact NE2-ND2 3.12Å; H286-N289 PolarHBondContact O-N 3.05Å; H286-N289 VanDerWaalsContact O-N 3.09Å; H286-N289 PolarHBondContact O-OD1 2.84Å; H286-N289 VanDerWaalsContact O-OD1 3.07Å; H286-Q290 WeakPolarHBondContact O-CB 3.45Å; H286-Q290 PolarHBondContact O-N 3.31Å
287	S	97.3	Very high	97.7	Very high	91 Å²	91	74.2 Å²	74.2	64%	0.636	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.5	-172.2	53.4	0	0	0	0	115.2
288	E	95.1	Very high	97.7	Very high	135 Å²	135	71.7 Å²	71.7	63%	0.631	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.3	-177.1	-50.7	-179.5	159.9	0	0	113.6	H286 Q291	H286-E288 IonicContact CE1-OE2 3.23Å; H286-E288 PolarHBondContact ND1-N 3.3Å; H286-E288 PolarHBondContact O-N 3.34Å; E288-Q291 PolarHBondContact O-NE2 3.05Å; E288-Q291 PolarHBondContact O-OE1 3.19Å
289	N	96.9	Very high	97.7	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-14	-175.6	75.9	13.3	0	0	0	113.8	V226 F227 R228 F284 V285 H286 Q291 L292 I293	V226-N289 WeakPolarHBondContact O-CB 3.46Å; F227-N289 WeakPolarHBondContact CA-ND2 3.39Å; F227-N289 PolarHBondContact O-ND2 2.88Å; F227-N289 VanDerWaalsContact O-ND2 3.09Å; R228-N289 HydrophobicContact CB-CB 4.29Å; R228-N289 HydrophobicContact CG-CB 3.94Å; F284-N289 PolarHBondContact O-ND2 2.92Å; V285-N289 WeakPolarHBondContact CA-OD1 3.4Å; H286-N289 PolarHBondContact CD2-ND2 3.09Å; H286-N289 PolarHBondContact N-OD1 2.99Å; H286-N289 PolarHBondContact NE2-ND2 3.34Å; H286-N289 VanDerWaalsContact NE2-ND2 3.12Å; H286-N289 PolarHBondContact O-N 3.05Å; H286-N289 VanDerWaalsContact O-N 3.09Å; H286-N289 PolarHBondContact O-OD1 2.84Å; H286-N289 VanDerWaalsContact O-OD1 3.07Å; N289-Q291 PolarHBondContact O-N 2.94Å; N289-L292 WeakPolarHBondContact O-CB 3.28Å; N289-L292 PolarHBondContact O-N 3.19Å; N289-I293 WeakPolarHBondContact O-CG1 3.37Å
290	Q	96.9	Very high	97.7	Very high	118 Å²	118	68.3 Å²	68.3	55%	0.551	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-52	-31.7	-177	63.1	-179.1	-4.3	0	0	114.4	V285 H286 L292 I293	V285-Q290 HydrophobicContact CG1-CB 4.03Å; H286-Q290 WeakPolarHBondContact O-CB 3.45Å; H286-Q290 PolarHBondContact O-N 3.31Å; Q290-L292 PolarHBondContact O-N 3.39Å; Q290-I293 PolarHBondContact O-N 2.9Å
291	Q	96.8	Very high	97.8	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70	-14.7	177.8	73.6	-73.7	-2.9	0	0	114	E288 N289	E288-Q291 PolarHBondContact O-NE2 3.05Å; E288-Q291 PolarHBondContact O-OE1 3.19Å; N289-Q291 PolarHBondContact O-N 2.94Å
292	L	97.1	Very high	97.8	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-99.3	-1.2	176.5	-52.3	177.4	0	0	0	112	D130 I133 R228 N289 Q290	D130-L292 HydrophobicContact CB-CD2 4.38Å; I133-L292 HydrophobicContact CD1-CB 4.48Å; I133-L292 HydrophobicContact CD1-CD1 4.11Å; I133-L292 HydrophobicContact CD1-CD2 4.11Å; I133-L292 HydrophobicContact CD1-CG 4.46Å; R228-L292 HydrophobicContact CG-CD1 4.12Å; R228-L292 VanDerWaalsContact NE-CD1 3.3Å; N289-L292 WeakPolarHBondContact O-CB 3.28Å; N289-L292 PolarHBondContact O-N 3.19Å; Q290-L292 PolarHBondContact O-N 3.39Å
293	I	97	Very high	97.8	Very high	37 Å²	37	59.2 Å²	59.2	19%	0.19	30%	0.299	C	S	.	.			trans	-106.7	129	-173.1	-57.3	-67.7	0	0	0	109.2	V226 F227 V285 N289 Q290 L298	V226-I293 HydrophobicContact CB-CD1 3.82Å; V226-I293 HydrophobicContact CG2-CD1 3.89Å; F227-I293 HydrophobicContact CD1-CD1 3.73Å; F227-I293 HydrophobicContact CE1-CD1 3.53Å; F227-I293 HydrophobicContact CZ-CD1 4.36Å; V285-I293 HydrophobicContact CG1-CG1 4.39Å; V285-I293 HydrophobicContact CG2-CD1 4.47Å; V285-I293 HydrophobicContact CG2-CG1 4.1Å; V285-I293 HydrophobicContact CG2-CG2 4.01Å; N289-I293 WeakPolarHBondContact O-CG1 3.37Å; Q290-I293 PolarHBondContact O-N 2.9Å; I293-L298 HydrophobicContact CD1-CD2 4.25Å; I293-L298 HydrophobicContact CG2-CD1 3.89Å; I293-L298 HydrophobicContact CG2-CD2 3.94Å; I293-L298 HydrophobicContact CG2-CG 3.88Å
294	S	97.8	Very high	97.9	Very high	15 Å²	15	50.5 Å²	50.5	11%	0.105	27%	0.266	C	S	.	.			trans	-135.2	154.3	171.4	54.7	0	0	0	0	109.6	R134 E296 G297 L298	R134-S294 PolarHBondContact NH2-OG 2.93Å; R134-S294 VanDerWaalsContact NH2-OG 3.08Å; S294-E296 PolarHBondContact O-N 3.11Å; S294-G297 PolarHBondContact O-N 2.93Å; S294-G297 PolarHBondContact OG-N 3.49Å; S294-L298 PolarHBondContact O-N 2.94Å
295	P	98.4	Very high	97.9	Very high	105 Å²	105	48.7 Å²	48.7	68%	0.682	26%	0.258	S	S	*	.	H	α-helix	trans	-52.2	-41.8	173.9	-26.9	35.9	0	0	0	112.5	G297 L298 D299	P295-G297 VanDerWaalsContact C-N 3.33Å; P295-G297 PolarHBondContact O-N 2.86Å; P295-L298 PolarHBondContact O-N 3.26Å; P295-D299 WeakPolarHBondContact O-CB 3.45Å; P295-D299 PolarHBondContact O-N 3.1Å
296	E	98.4	Very high	98	Very high	85 Å²	85	50 Å²	50	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-36.4	177.6	-61	77.4	-171.7	0	0	112.1	S294 F300 H321 P322 Y323	S294-E296 PolarHBondContact O-N 3.11Å; E296-F300 VanDerWaalsContact O-CB 3.25Å; E296-F300 WeakPolarHBondContact O-CB 3.28Å; E296-F300 PolarHBondContact O-N 3.13Å; E296-H321 PolarHBondContact O-CE1 2.77Å; E296-P322 HydrophobicContact CG-CB 4.18Å; E296-Y323 HydrophobicContact CB-CD2 4.37Å
297	G	98.4	Very high	98	Very high	9 Å²	9	46.5 Å²	46.5	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-39.9	176.9	0	0	0	0	0	112.8	S294 P295 L301 Y323	S294-G297 PolarHBondContact O-N 2.93Å; S294-G297 PolarHBondContact OG-N 3.49Å; P295-G297 VanDerWaalsContact C-N 3.33Å; P295-G297 PolarHBondContact O-N 2.86Å; G297-L301 WeakPolarHBondContact O-CB 3.12Å; G297-L301 PolarHBondContact O-N 3Å; G297-Y323 VanDerWaalsContact CA-CE2 3.5Å
298	L	98.7	Very high	98.1	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-41.6	176	-63.3	-173	0	0	0	111.9	F227 W281 E282 I293 S294 P295 L301 D302	F227-L298 HydrophobicContact CE1-CD2 4.09Å; F227-L298 HydrophobicContact CZ-CD2 3.73Å; W281-L298 HydrophobicContact CB-CB 4.5Å; W281-L298 HydrophobicContact CB-CD1 4.13Å; W281-L298 HydrophobicContact CB-CD2 3.86Å; W281-L298 HydrophobicContact CB-CG 4.38Å; E282-L298 HydrophobicContact CG-CD1 4.34Å; I293-L298 HydrophobicContact CD1-CD2 4.25Å; I293-L298 HydrophobicContact CG2-CD1 3.89Å; I293-L298 HydrophobicContact CG2-CD2 3.94Å; I293-L298 HydrophobicContact CG2-CG 3.88Å; S294-L298 PolarHBondContact O-N 2.94Å; P295-L298 PolarHBondContact O-N 3.26Å; L298-L301 PolarHBondContact O-N 3.29Å; L298-D302 WeakPolarHBondContact O-CB 3.2Å; L298-D302 PolarHBondContact O-N 3.33Å
299	D	98.9	Very high	98.3	Very high	67 Å²	67	37.2 Å²	37.2	36%	0.358	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-42.4	174.7	176.5	57.1	0	0	0	111.6	P295 D302 K303 H321	P295-D299 WeakPolarHBondContact O-CB 3.45Å; P295-D299 PolarHBondContact O-N 3.1Å; D299-D302 PolarHBondContact O-N 3.01Å; D299-K303 WeakPolarHBondContact O-CG 3.25Å; D299-K303 PolarHBondContact O-N 3.49Å; D299-K303 WeakPolarHBondContact OD1-CE 3.38Å; D299-K303 IonicContact OD1-NZ 3.65Å; D299-K303 PolarHBondContact OD1-NZ 3.18Å; D299-K303 VanDerWaalsContact OD1-NZ 3.11Å; D299-K303 IonicContact OD2-NZ 2.78Å; D299-K303 PolarHBondContact OD2-NZ 2.98Å; D299-H321 IonicContact OD2-CE1 3.97Å; D299-H321 PolarHBondContact OD2-CE1 2.74Å; D299-H321 VanDerWaalsContact OD2-CE1 3.23Å; D299-H321 IonicContact OD2-NE2 3.56Å; D299-H321 PolarHBondContact OD2-NE2 3.2Å
300	F	98.9	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-49	173.9	-179.6	-131.6	0	0	0	111.7	M137 L141 L222 E296 D302 K303 L304 L313 A318 H321 Y323 F324	M137-F300 HydrophobicContact CE-CE1 4.42Å; L141-F300 HydrophobicContact CD1-CZ 4.28Å; L222-F300 HydrophobicContact CD2-CD1 3.41Å; L222-F300 VanDerWaalsContact CD2-CD1 3.41Å; L222-F300 HydrophobicContact CD2-CE1 3.66Å; L222-F300 HydrophobicContact CD2-CG 4.43Å; E296-F300 VanDerWaalsContact O-CB 3.25Å; E296-F300 WeakPolarHBondContact O-CB 3.28Å; E296-F300 PolarHBondContact O-N 3.13Å; F300-D302 VanDerWaalsContact C-N 3.32Å; F300-D302 PolarHBondContact O-N 3.39Å; F300-K303 PolarHBondContact O-N 3.43Å; F300-L304 HydrophobicContact CD1-CD1 4.43Å; F300-L304 HydrophobicContact CE1-CD1 3.85Å; F300-L304 HydrophobicContact CE2-CD1 4.01Å; F300-L304 HydrophobicContact CE2-CD2 4.21Å; F300-L304 HydrophobicContact CE2-CG 4.08Å; F300-L304 HydrophobicContact CZ-CD1 3.61Å; F300-L304 HydrophobicContact CZ-CD2 4.37Å; F300-L304 HydrophobicContact CZ-CG 4.18Å; F300-L304 PolarHBondContact O-N 3.28Å; F300-L313 HydrophobicContact CD2-CD1 3.86Å; F300-L313 HydrophobicContact CE2-CD1 3.88Å; F300-A318 HydrophobicContact CE2-CB 3.56Å; F300-A318 HydrophobicContact CZ-CB 3.95Å; F300-H321 HydrophobicContact CD2-CB 4Å; F300-H321 AromaticContact CD2-CG 3.75Å; F300-H321 HydrophobicContact CE2-CB 4.45Å; F300-H321 PolarHBondContact N-CE1 3.08Å; F300-Y323 HydrophobicContact CB-CG 4.35Å; F300-Y323 AromaticContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CE1 4.09Å; F300-Y323 HydrophobicContact CD1-CG 4.23Å; F300-Y323 HydrophobicContact CE1-CD1 4.15Å; F300-Y323 HydrophobicContact CG-CD1 4.27Å; F300-F324 HydrophobicContact CD1-CE2 4.23Å; F300-F324 HydrophobicContact CD1-CZ 4.25Å; F300-F324 HydrophobicContact CD2-CE2 4.49Å; F300-F324 AromaticContact CE1-CE2 3.67Å; F300-F324 HydrophobicContact CE1-CE2 3.67Å; F300-F324 AromaticContact CE1-CZ 3.53Å; F300-F324 HydrophobicContact CE1-CZ 3.53Å; F300-F324 AromaticContact CE2-CE2 3.98Å; F300-F324 HydrophobicContact CE2-CE2 3.98Å; F300-F324 AromaticContact CZ-CE2 3.53Å; F300-F324 HydrophobicContact CZ-CE2 3.53Å; F300-F324 AromaticContact CZ-CZ 3.76Å; F300-F324 HydrophobicContact CZ-CZ 3.76Å
301	L	98.9	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-42.1	179.2	-180	63	0	0	0	112	G219 L222 A223 F227 W281 G297 L298 K303 L304 L305	G219-L301 VanDerWaalsContact O-CD1 3.28Å; G219-L301 WeakPolarHBondContact O-CD1 3.19Å; L222-L301 HydrophobicContact CB-CD1 4.21Å; L222-L301 HydrophobicContact CD2-CB 4.03Å; L222-L301 HydrophobicContact CD2-CD1 4.01Å; L222-L301 HydrophobicContact CG-CD1 4.24Å; A223-L301 HydrophobicContact CB-CD1 3.91Å; A223-L301 HydrophobicContact CB-CD2 3.95Å; F227-L301 HydrophobicContact CD2-CD2 4.49Å; F227-L301 HydrophobicContact CE2-CD2 3.55Å; F227-L301 HydrophobicContact CZ-CD2 4.17Å; W281-L301 HydrophobicContact CD2-CD2 4.29Å; W281-L301 HydrophobicContact CE3-CD2 4.11Å; W281-L301 HydrophobicContact CH2-CD2 4.44Å; W281-L301 HydrophobicContact CZ2-CG 4.47Å; W281-L301 HydrophobicContact CZ3-CD2 4.2Å; G297-L301 WeakPolarHBondContact O-CB 3.12Å; G297-L301 PolarHBondContact O-N 3Å; L298-L301 PolarHBondContact O-N 3.29Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.16Å; L301-L304 PolarHBondContact O-N 3.25Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L301-L305 HydrophobicContact CD1-CD1 3.67Å; L301-L305 HydrophobicContact CD1-CG 3.95Å; L301-L305 HydrophobicContact CG-CD1 4.12Å; L301-L305 PolarHBondContact O-N 2.9Å
302	D	98.9	Very high	98.6	Very high	31 Å²	31	30.7 Å²	30.7	17%	0.166	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-39.1	178.6	-167.8	83.2	0	0	0	112	R278 W281 L298 D299 F300 L304 R306	R278-D302 IonicContact CZ-OD1 3.41Å; R278-D302 IonicContact NH2-OD1 3.66Å; R278-D302 PolarHBondContact NH2-OD1 3.35Å; R278-D302 IonicContact NH2-OD2 3.63Å; W281-D302 PolarHBondContact NE1-OD1 2.86Å; L298-D302 WeakPolarHBondContact O-CB 3.2Å; L298-D302 PolarHBondContact O-N 3.33Å; D299-D302 PolarHBondContact O-N 3.01Å; F300-D302 VanDerWaalsContact C-N 3.32Å; F300-D302 PolarHBondContact O-N 3.39Å; D302-L304 VanDerWaalsContact C-N 3.33Å; D302-R306 WeakPolarHBondContact O-CD 3.3Å; D302-R306 PolarHBondContact O-NE 2.87Å; D302-R306 IonicContact OD2-CZ 3.77Å; D302-R306 IonicContact OD2-NE 3.88Å; D302-R306 PolarHBondContact OD2-NE 3.13Å; D302-R306 IonicContact OD2-NH2 2.63Å; D302-R306 PolarHBondContact OD2-NH2 2.95Å
303	K	98.9	Very high	98.7	Very high	62 Å²	62	31.8 Å²	31.8	27%	0.27	17%	0.171	S	C	.	.	H	α-helix	trans	-78	-12.4	179.1	-66.1	168.2	178.7	158.2	0	114	D299 F300 L301 R312 L313 H321	D299-K303 WeakPolarHBondContact O-CG 3.25Å; D299-K303 PolarHBondContact O-N 3.49Å; D299-K303 WeakPolarHBondContact OD1-CE 3.38Å; D299-K303 IonicContact OD1-NZ 3.65Å; D299-K303 PolarHBondContact OD1-NZ 3.18Å; D299-K303 VanDerWaalsContact OD1-NZ 3.11Å; D299-K303 IonicContact OD2-NZ 2.78Å; D299-K303 PolarHBondContact OD2-NZ 2.98Å; F300-K303 PolarHBondContact O-N 3.43Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.16Å; K303-R312 WeakPolarHBondContact O-CA 3.41Å; K303-L313 HydrophobicContact CB-CD1 3.59Å; K303-L313 HydrophobicContact CB-CD2 4.3Å; K303-L313 HydrophobicContact CB-CG 3.71Å; K303-L313 HydrophobicContact CD-CD1 4.19Å; K303-L313 HydrophobicContact CD-CD2 4.41Å; K303-L313 PolarHBondContact O-N 3.27Å; K303-L313 VanDerWaalsContact O-N 3.16Å; K303-H321 PolarHBondContact NZ-NE2 3.43Å; K303-H321 VanDerWaalsContact NZ-NE2 3.2Å
304	L	98.9	Very high	98.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-89.9	-45	170.2	-66.6	178.3	0	0	0	112	M215 L222 F300 L301 D302 R306 R312 L313	M215-L304 HydrophobicContact CB-CD2 4.37Å; M215-L304 HydrophobicContact CE-CD2 3.68Å; L222-L304 HydrophobicContact CD2-CD1 4.36Å; F300-L304 HydrophobicContact CD1-CD1 4.43Å; F300-L304 HydrophobicContact CE1-CD1 3.85Å; F300-L304 HydrophobicContact CE2-CD1 4.01Å; F300-L304 HydrophobicContact CE2-CD2 4.21Å; F300-L304 HydrophobicContact CE2-CG 4.08Å; F300-L304 HydrophobicContact CZ-CD1 3.61Å; F300-L304 HydrophobicContact CZ-CD2 4.37Å; F300-L304 HydrophobicContact CZ-CG 4.18Å; F300-L304 PolarHBondContact O-N 3.28Å; L301-L304 PolarHBondContact O-N 3.25Å; L301-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 VanDerWaalsContact C-N 3.33Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 3.29Å; L304-R306 VanDerWaalsContact O-N 3.07Å; L304-R312 WeakPolarHBondContact O-CD 3.4Å; L304-R312 WeakPolarHBondContact O-CG 3.5Å; L304-L313 HydrophobicContact CD2-CB 4.28Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-88	70.2	-174.9	-66	-176.3	0	0	0	111.9	W216 A223 F233 L249 W281 L301	W216-L305 HydrophobicContact CD2-CD2 3.93Å; W216-L305 HydrophobicContact CE3-CD2 3.85Å; W216-L305 HydrophobicContact CH2-CD2 4.17Å; W216-L305 HydrophobicContact CZ2-CD2 4.23Å; W216-L305 HydrophobicContact CZ3-CB 4.26Å; W216-L305 HydrophobicContact CZ3-CD2 3.99Å; A223-L305 HydrophobicContact CB-CD1 4.31Å; F233-L305 HydrophobicContact CE2-CD1 3.98Å; F233-L305 HydrophobicContact CE2-CD2 4.33Å; F233-L305 HydrophobicContact CZ-CD1 4.18Å; L249-L305 WeakPolarHBondContact CD1-O 3.45Å; L249-L305 HydrophobicContact CD2-CB 4.46Å; W281-L305 HydrophobicContact CH2-CB 4.38Å; W281-L305 HydrophobicContact CH2-CD1 3.68Å; W281-L305 HydrophobicContact CZ2-CB 4.36Å; W281-L305 HydrophobicContact CZ2-CD1 4.32Å; W281-L305 HydrophobicContact CZ3-CD1 4.43Å; L301-L305 HydrophobicContact CD1-CD1 3.67Å; L301-L305 HydrophobicContact CD1-CG 3.95Å; L301-L305 HydrophobicContact CG-CD1 4.12Å; L301-L305 PolarHBondContact O-N 2.9Å
306	R	98.9	Very high	98.8	Very high	79 Å²	79	30.5 Å²	30.5	30%	0.298	15%	0.15	S	C	.	.			trans	-112.3	142.1	172.6	-57.5	-61.1	-177.8	86.6	-5.8	111	W216 D302 L304 A311 R312	W216-R306 WeakPolarHBondContact CZ3-O 3.14Å; D302-R306 WeakPolarHBondContact O-CD 3.3Å; D302-R306 PolarHBondContact O-NE 2.87Å; D302-R306 IonicContact OD2-CZ 3.77Å; D302-R306 IonicContact OD2-NE 3.88Å; D302-R306 PolarHBondContact OD2-NE 3.13Å; D302-R306 IonicContact OD2-NH2 2.63Å; D302-R306 PolarHBondContact OD2-NH2 2.95Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 3.29Å; L304-R306 VanDerWaalsContact O-N 3.07Å; R306-A311 HydrophobicContact CB-CB 4.28Å; R306-A311 HydrophobicContact CG-CB 4.41Å; R306-R312 HydrophobicContact CB-CG 4.01Å; R306-R312 PolarHBondContact O-NE 3.3Å; R306-R312 PolarHBondContact O-NH2 3.13Å
307	Y	98.9	Very high	98.9	Very high	8 Å²	8	29.8 Å²	29.8	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	-58.8	-60	172.6	-73.7	-68.1	0	0	0	110.8	P200 I245 A246 L249 G250 D253 L254 H309 R312	P200-Y307 HydrophobicContact CB-CD1 3.83Å; P200-Y307 HydrophobicContact CB-CE1 4.46Å; P200-Y307 HydrophobicContact CG-CD1 3.66Å; P200-Y307 HydrophobicContact CG-CE1 4.18Å; I245-Y307 HydrophobicContact CG2-CE1 3.6Å; A246-Y307 WeakPolarHBondContact CA-OH 3.38Å; A246-Y307 PolarHBondContact N-OH 2.94Å; L249-Y307 HydrophobicContact CB-CD2 4.25Å; L249-Y307 HydrophobicContact CB-CE2 3.36Å; L249-Y307 HydrophobicContact CD1-CD2 4.37Å; L249-Y307 HydrophobicContact CD1-CE1 4.42Å; L249-Y307 HydrophobicContact CD1-CE2 4.08Å; L249-Y307 HydrophobicContact CG-CE2 4.37Å; G250-Y307 WeakPolarHBondContact O-CE2 3.48Å; G250-Y307 PolarHBondContact O-OH 2.93Å; G250-Y307 VanDerWaalsContact O-OH 3.11Å; D253-Y307 HydrophobicContact CB-CD2 3.68Å; D253-Y307 HydrophobicContact CB-CE2 3.97Å; L254-Y307 HydrophobicContact CB-CD1 4.33Å; L254-Y307 HydrophobicContact CB-CD2 4.25Å; L254-Y307 HydrophobicContact CB-CE1 3.98Å; L254-Y307 HydrophobicContact CB-CE2 3.86Å; L254-Y307 HydrophobicContact CB-CG 4.46Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.7Å; L254-Y307 HydrophobicContact CD1-CG 4.44Å; L254-Y307 HydrophobicContact CG-CE1 4.26Å; Y307-H309 PolarHBondContact O-N 3.41Å; Y307-H309 VanDerWaalsContact O-N 3.07Å; Y307-R312 PolarHBondContact O-NH2 3.01Å
308	D	98.9	Very high	98.9	Very high	30 Å²	30	29.4 Å²	29.4	16%	0.16	14%	0.143	C	C	.	.	S	Bend	trans	-61	110.9	174.8	-173.2	1.2	0	0	0	110.5	Y257 K260 Y261 Q310 A311	Y257-D308 VanDerWaalsContact CD2-CA 3.45Å; Y257-D308 HydrophobicContact CD2-CB 3.94Å; K260-D308 IonicContact NZ-OD1 3.22Å; K260-D308 IonicContact NZ-OD2 2.72Å; K260-D308 PolarHBondContact NZ-OD2 2.82Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.3Å; Y261-D308 PolarHBondContact OH-OD1 3.16Å; D308-Q310 PolarHBondContact O-N 3.21Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.39Å; D308-Q310 PolarHBondContact OD1-N 2.92Å; D308-Q310 VanDerWaalsContact OD1-N 3.09Å; D308-A311 HydrophobicContact CB-CB 4.07Å; D308-A311 WeakPolarHBondContact O-CB 3.47Å; D308-A311 PolarHBondContact O-N 3.08Å
309	H	98.9	Very high	98.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.8	-178.4	60	-81.7	0	0	0	112	S7 Y206 D210 S212 Y257 Y261 Y307 A311 R312	S7-H309 PolarHBondContact OG-NE2 3.05Å; Y206-H309 AromaticContact CE1-CE1 3.59Å; Y206-H309 AromaticContact CE1-NE2 3.97Å; D210-H309 IonicContact OD2-CD2 3.62Å; S212-H309 VanDerWaalsContact CB-O 3.24Å; S212-H309 WeakPolarHBondContact CB-O 3.39Å; S212-H309 WeakPolarHBondContact OG-CB 3.5Å; Y257-H309 AromaticContact CE2-ND1 3.69Å; Y261-H309 AromaticContact CE1-CE1 3.87Å; Y261-H309 AromaticContact CE2-CE1 3.87Å; Y261-H309 AromaticContact CZ-CE1 3.53Å; Y307-H309 PolarHBondContact O-N 3.41Å; Y307-H309 VanDerWaalsContact O-N 3.07Å; H309-A311 VanDerWaalsContact C-N 3.28Å; H309-A311 PolarHBondContact O-N 3.25Å; H309-R312 PolarHBondContact O-N 2.78Å
310	Q	98.9	Very high	98.9	Very high	39 Å²	39	30.5 Å²	30.5	18%	0.182	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-68.2	-25.9	173.1	-65	-68.2	-28.9	0	0	113	S7 R8 R10 Y261 D308 R312	S7-Q310 PolarHBondContact OG-NE2 3.25Å; R8-Q310 PolarHBondContact O-NE2 3.37Å; R8-Q310 PolarHBondContact O-OE1 3.39Å; R10-Q310 VanDerWaalsContact CD-O 3.26Å; R10-Q310 WeakPolarHBondContact CD-O 3.34Å; R10-Q310 PolarHBondContact NE-O 3.06Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.34Å; D308-Q310 PolarHBondContact O-N 3.21Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.39Å; D308-Q310 PolarHBondContact OD1-N 2.92Å; D308-Q310 VanDerWaalsContact OD1-N 3.09Å; Q310-R312 VanDerWaalsContact C-N 3.35Å
311	A	98.8	Very high	98.9	Very high	47 Å²	47	30.9 Å²	30.9	39%	0.388	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-86.5	-5.4	-177.6	0	0	0	0	0	113.6	R306 D308 H309	R306-A311 HydrophobicContact CB-CB 4.28Å; R306-A311 HydrophobicContact CG-CB 4.41Å; D308-A311 HydrophobicContact CB-CB 4.07Å; D308-A311 WeakPolarHBondContact O-CB 3.47Å; D308-A311 PolarHBondContact O-N 3.08Å; H309-A311 VanDerWaalsContact C-N 3.28Å; H309-A311 PolarHBondContact O-N 3.25Å
312	R	98.9	Very high	98.9	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	17%	0.166	C	C	.	.	S	Bend	trans	-78.1	146.5	177.9	-56.8	-179.9	-164.9	145.6	9.3	110	R10 E201 S212 K303 L304 R306 Y307 H309 Q310	R10-R312 PolarHBondContact NH2-O 3.35Å; E201-R312 IonicContact OE1-CZ 3.64Å; E201-R312 IonicContact OE1-NH1 2.75Å; E201-R312 PolarHBondContact OE1-NH1 3.35Å; E201-R312 IonicContact OE1-NH2 2.67Å; E201-R312 IonicContact OE2-CZ 3.58Å; E201-R312 IonicContact OE2-NH1 3.79Å; E201-R312 PolarHBondContact OE2-NH1 3.39Å; E201-R312 IonicContact OE2-NH2 2.74Å; E201-R312 PolarHBondContact OE2-NH2 3.36Å; S212-R312 PolarHBondContact O-NH1 2.95Å; K303-R312 WeakPolarHBondContact O-CA 3.41Å; L304-R312 WeakPolarHBondContact O-CD 3.4Å; L304-R312 WeakPolarHBondContact O-CG 3.5Å; R306-R312 HydrophobicContact CB-CG 4.01Å; R306-R312 PolarHBondContact O-NE 3.3Å; R306-R312 PolarHBondContact O-NH2 3.13Å; Y307-R312 PolarHBondContact O-NH2 3.01Å; H309-R312 PolarHBondContact O-N 2.78Å; Q310-R312 VanDerWaalsContact C-N 3.35Å
313	L	98.9	Very high	98.9	Very high	28 Å²	28	31.9 Å²	31.9	15%	0.147	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-56.4	142.5	170.2	-63.2	170.3	0	0	0	110.7	M215 F300 K303 L304 E317 A318	M215-L313 WeakPolarHBondContact CG-O 3.48Å; F300-L313 HydrophobicContact CD2-CD1 3.86Å; F300-L313 HydrophobicContact CE2-CD1 3.88Å; K303-L313 HydrophobicContact CB-CD1 3.59Å; K303-L313 HydrophobicContact CB-CD2 4.3Å; K303-L313 HydrophobicContact CB-CG 3.71Å; K303-L313 HydrophobicContact CD-CD1 4.19Å; K303-L313 HydrophobicContact CD-CD2 4.41Å; K303-L313 PolarHBondContact O-N 3.27Å; K303-L313 VanDerWaalsContact O-N 3.16Å; L304-L313 HydrophobicContact CD2-CB 4.28Å; L313-E317 WeakPolarHBondContact CA-OE2 3.17Å; L313-E317 HydrophobicContact CB-CB 4.24Å; L313-E317 HydrophobicContact CD2-CB 3.94Å; L313-A318 HydrophobicContact CB-CB 4.22Å; L313-A318 HydrophobicContact CD1-CB 4.36Å
314	T	98.9	Very high	98.8	Very high	17 Å²	17	29 Å²	29	10%	0.104	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-70.2	164.9	162.2	70	0	0	0	0	110.2	V11 R316 E317 A318	V11-T314 HydrophobicContact CB-CG2 4.33Å; V11-T314 HydrophobicContact CG1-CG2 3.78Å; V11-T314 HydrophobicContact CG2-CG2 3.58Å; T314-R316 VanDerWaalsContact C-N 3.26Å; T314-R316 PolarHBondContact O-N 3.33Å; T314-E317 PolarHBondContact N-OE2 3.3Å; T314-E317 PolarHBondContact O-N 3.31Å; T314-E317 WeakPolarHBondContact OG1-CB 3.4Å; T314-E317 VanDerWaalsContact OG1-CG 3.26Å; T314-E317 WeakPolarHBondContact OG1-CG 3.41Å; T314-E317 PolarHBondContact OG1-N 3.27Å; T314-E317 VanDerWaalsContact OG1-N 3.09Å; T314-A318 VanDerWaalsContact O-CB 3.25Å; T314-A318 WeakPolarHBondContact O-CB 3.4Å; T314-A318 PolarHBondContact O-N 3.45Å
315	A	98.9	Very high	98.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-40.7	175.6	0	0	0	0	0	111.9	L141 L144 D145 M215 A318 M319	L141-A315 HydrophobicContact CD2-CB 4.24Å; L144-A315 HydrophobicContact CB-CB 4.14Å; D145-A315 HydrophobicContact CB-CB 3.65Å; M215-A315 HydrophobicContact CE-CB 4.4Å; M215-A315 HydrophobicContact SD-CB 3.93Å; A315-A318 WeakPolarHBondContact O-CB 3.3Å; A315-A318 PolarHBondContact O-N 2.9Å; A315-M319 WeakPolarHBondContact O-CG 3.43Å; A315-M319 PolarHBondContact O-N 2.61Å
316	R	98.8	Very high	98.7	Very high	113 Å²	113	38.5 Å²	38.5	43%	0.426	19%	0.19	S	C	.	.	H	α-helix	trans	-65.1	-50.1	175.4	-176.2	53.3	57.4	169.7	4.7	113	D145 T314 A318 M319 D320	D145-R316 IonicContact OD2-CZ 3.61Å; D145-R316 IonicContact OD2-NE 2.61Å; D145-R316 PolarHBondContact OD2-NE 2.67Å; D145-R316 IonicContact OD2-NH2 3.59Å; D145-R316 PolarHBondContact OD2-NH2 3.39Å; T314-R316 VanDerWaalsContact C-N 3.26Å; T314-R316 PolarHBondContact O-N 3.33Å; R316-A318 PolarHBondContact O-N 3.34Å; R316-M319 WeakPolarHBondContact O-CB 3.23Å; R316-M319 PolarHBondContact O-N 3.18Å; R316-D320 PolarHBondContact O-N 3.09Å; R316-D320 VanDerWaalsContact O-N 3.13Å
317	E	98.9	Very high	98.6	Very high	70 Å²	70	34.8 Å²	34.8	33%	0.327	18%	0.176	S	C	.	.	H	α-helix	trans	-59.2	-35.1	176.8	-70.1	165.1	174.7	0	0	111.7	R10 L313 T314 D320 H321	R10-E317 IonicContact CZ-OE1 2.89Å; R10-E317 IonicContact CZ-OE2 3.04Å; R10-E317 IonicContact NH1-OE1 3.06Å; R10-E317 PolarHBondContact NH1-OE1 3.12Å; R10-E317 IonicContact NH1-OE2 3.37Å; R10-E317 PolarHBondContact NH1-OE2 2.92Å; R10-E317 IonicContact NH2-OE1 3.36Å; R10-E317 IonicContact NH2-OE2 3.23Å; R10-E317 PolarHBondContact NH2-OE2 3.15Å; L313-E317 WeakPolarHBondContact CA-OE2 3.17Å; L313-E317 HydrophobicContact CB-CB 4.24Å; L313-E317 HydrophobicContact CD2-CB 3.94Å; T314-E317 PolarHBondContact N-OE2 3.3Å; T314-E317 PolarHBondContact O-N 3.31Å; T314-E317 WeakPolarHBondContact OG1-CB 3.4Å; T314-E317 VanDerWaalsContact OG1-CG 3.26Å; T314-E317 WeakPolarHBondContact OG1-CG 3.41Å; T314-E317 PolarHBondContact OG1-N 3.27Å; T314-E317 VanDerWaalsContact OG1-N 3.09Å; E317-D320 PolarHBondContact O-N 3.4Å; E317-H321 PolarHBondContact O-N 2.9Å
318	A	98.9	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-42.1	174	0	0	0	0	0	112.3	L141 M215 F300 L313 T314 A315 R316 D320 H321 F324	L141-A318 HydrophobicContact CD1-CB 3.91Å; L141-A318 HydrophobicContact CD2-CB 3.62Å; L141-A318 HydrophobicContact CG-CB 4.45Å; M215-A318 HydrophobicContact CE-CB 3.88Å; F300-A318 HydrophobicContact CE2-CB 3.56Å; F300-A318 HydrophobicContact CZ-CB 3.95Å; L313-A318 HydrophobicContact CB-CB 4.22Å; L313-A318 HydrophobicContact CD1-CB 4.36Å; T314-A318 VanDerWaalsContact O-CB 3.25Å; T314-A318 WeakPolarHBondContact O-CB 3.4Å; T314-A318 PolarHBondContact O-N 3.45Å; A315-A318 WeakPolarHBondContact O-CB 3.3Å; A315-A318 PolarHBondContact O-N 2.9Å; R316-A318 PolarHBondContact O-N 3.34Å; A318-D320 PolarHBondContact O-N 3.45Å; A318-H321 WeakPolarHBondContact O-CB 3.43Å; A318-H321 PolarHBondContact O-N 3.45Å; A318-F324 WeakPolarHBondContact O-CD2 3.48Å; A318-F324 WeakPolarHBondContact O-CE2 3.22Å
319	M	98.8	Very high	98.1	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.059	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-31.9	175.4	-69.8	174	70.2	0	0	112.6	F138 L141 K142 D145 A315 R316 H321	F138-M319 HydrophobicContact CD2-CB 4.38Å; F138-M319 HydrophobicContact CD2-CG 4.26Å; F138-M319 HydrophobicContact CE1-CE 4.1Å; F138-M319 HydrophobicContact CE2-CB 3.74Å; F138-M319 HydrophobicContact CE2-CE 3.97Å; F138-M319 HydrophobicContact CE2-CG 3.96Å; F138-M319 HydrophobicContact CZ-CB 4.44Å; F138-M319 HydrophobicContact CZ-CE 3.64Å; L141-M319 HydrophobicContact CB-CG 3.56Å; L141-M319 HydrophobicContact CB-SD 4.15Å; L141-M319 HydrophobicContact CD1-CG 4.03Å; L141-M319 HydrophobicContact CG-CG 4.33Å; K142-M319 HydrophobicContact CG-CE 3.66Å; K142-M319 HydrophobicContact CG-SD 4.47Å; D145-M319 HydrophobicContact CB-SD 4.32Å; A315-M319 WeakPolarHBondContact O-CG 3.43Å; A315-M319 PolarHBondContact O-N 2.61Å; R316-M319 WeakPolarHBondContact O-CB 3.23Å; R316-M319 PolarHBondContact O-N 3.18Å; M319-H321 PolarHBondContact O-N 3.01Å
320	D	98.6	Very high	97.6	Very high	100 Å²	100	46.9 Å²	46.9	54%	0.535	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.3	179.4	-62.7	-28.9	0	0	0	113.2	R316 E317 A318	R316-D320 PolarHBondContact O-N 3.09Å; R316-D320 VanDerWaalsContact O-N 3.13Å; E317-D320 PolarHBondContact O-N 3.4Å; A318-D320 PolarHBondContact O-N 3.45Å
321	H	98.8	Very high	97	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.042	24%	0.238	C	C	.	.	S	Bend	trans	-67.3	142	-178.5	-161.6	-91.4	0	0	0	112.5	E296 D299 F300 K303 E317 A318 M319 Y323 F324	E296-H321 PolarHBondContact O-CE1 2.77Å; D299-H321 IonicContact OD2-CE1 3.97Å; D299-H321 PolarHBondContact OD2-CE1 2.74Å; D299-H321 VanDerWaalsContact OD2-CE1 3.23Å; D299-H321 IonicContact OD2-NE2 3.56Å; D299-H321 PolarHBondContact OD2-NE2 3.2Å; F300-H321 HydrophobicContact CD2-CB 4Å; F300-H321 AromaticContact CD2-CG 3.75Å; F300-H321 HydrophobicContact CE2-CB 4.45Å; F300-H321 PolarHBondContact N-CE1 3.08Å; K303-H321 PolarHBondContact NZ-NE2 3.43Å; K303-H321 VanDerWaalsContact NZ-NE2 3.2Å; E317-H321 PolarHBondContact O-N 2.9Å; A318-H321 WeakPolarHBondContact O-CB 3.43Å; A318-H321 PolarHBondContact O-N 3.45Å; M319-H321 PolarHBondContact O-N 3.01Å; H321-Y323 WeakPolarHBondContact ND1-CB 3.34Å; H321-Y323 PolarHBondContact ND1-N 3.24Å; H321-Y323 PolarHBondContact O-N 3.39Å; H321-F324 HydrophobicContact CB-CD2 4.3Å; H321-F324 PolarHBondContact O-N 3.38Å
322	P	98.7	Very high	96.1	Very high	52 Å²	52	48.7 Å²	48.7	34%	0.338	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-51.9	-26.7	177.6	-31	36.6	0	0	0	115.7	E296 F324 Y325	E296-P322 HydrophobicContact CG-CB 4.18Å; P322-F324 PolarHBondContact O-N 3.12Å; P322-F324 VanDerWaalsContact O-N 3.11Å; P322-Y325 HydrophobicContact CB-CD2 4.33Å; P322-Y325 HydrophobicContact CB-CE2 4.13Å; P322-Y325 HydrophobicContact CG-CE2 4.29Å; P322-Y325 PolarHBondContact O-N 3.19Å; P322-Y325 VanDerWaalsContact O-N 3.15Å
323	Y	98.7	Very high	94.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-54	-30.2	174.8	-174.8	-117.7	0	0	0	112.9	R134 L222 E296 G297 F300 H321	R134-Y323 HydrophobicContact CB-CE1 4.34Å; R134-Y323 WeakPolarHBondContact CD-O 3.44Å; R134-Y323 HydrophobicContact CG-CD1 4.11Å; R134-Y323 HydrophobicContact CG-CD2 4.24Å; R134-Y323 HydrophobicContact CG-CE1 3.55Å; R134-Y323 HydrophobicContact CG-CE2 3.69Å; R134-Y323 HydrophobicContact CG-CG 4.43Å; R134-Y323 VanDerWaalsContact CZ-CE2 3.48Å; R134-Y323 PolarHBondContact NH1-O 2.75Å; L222-Y323 HydrophobicContact CD1-CE1 4.31Å; E296-Y323 HydrophobicContact CB-CD2 4.37Å; G297-Y323 VanDerWaalsContact CA-CE2 3.5Å; F300-Y323 HydrophobicContact CB-CG 4.35Å; F300-Y323 AromaticContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CE1 4.09Å; F300-Y323 HydrophobicContact CD1-CG 4.23Å; F300-Y323 HydrophobicContact CE1-CD1 4.15Å; F300-Y323 HydrophobicContact CG-CD1 4.27Å; H321-Y323 WeakPolarHBondContact ND1-CB 3.34Å; H321-Y323 PolarHBondContact ND1-N 3.24Å; H321-Y323 PolarHBondContact O-N 3.39Å
324	F	98.6	Very high	92.9	Very high	1 Å²	1	62 Å²	62	0%	0.004	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-101.1	1	-178.2	-59.7	-68.3	0	0	0	115	R134 M137 F138 L141 F300 A318 H321 P322 P326 I327 V328	R134-F324 HydrophobicContact CB-CD1 4.43Å; R134-F324 WeakPolarHBondContact O-CD1 3.43Å; R134-F324 WeakPolarHBondContact O-CE1 3.33Å; M137-F324 HydrophobicContact CB-CE1 3.84Å; M137-F324 HydrophobicContact CB-CZ 4Å; F138-F324 HydrophobicContact CB-CD1 3.79Å; F138-F324 HydrophobicContact CB-CE1 3.96Å; F138-F324 HydrophobicContact CD2-CB 3.75Å; F138-F324 AromaticContact CD2-CD1 3.77Å; F138-F324 HydrophobicContact CD2-CD1 3.77Å; F138-F324 HydrophobicContact CD2-CD2 4.2Å; F138-F324 HydrophobicContact CD2-CE1 4.4Å; F138-F324 AromaticContact CD2-CG 3.64Å; F138-F324 HydrophobicContact CD2-CG 3.64Å; F138-F324 HydrophobicContact CE2-CB 4.07Å; F138-F324 HydrophobicContact CE2-CG 4.35Å; F138-F324 HydrophobicContact CG-CD1 4.23Å; L141-F324 HydrophobicContact CD1-CD2 4.38Å; L141-F324 HydrophobicContact CD1-CE1 4.45Å; L141-F324 HydrophobicContact CD1-CE2 3.51Å; L141-F324 HydrophobicContact CD1-CZ 3.54Å; F300-F324 HydrophobicContact CD1-CE2 4.23Å; F300-F324 HydrophobicContact CD1-CZ 4.25Å; F300-F324 HydrophobicContact CD2-CE2 4.49Å; F300-F324 AromaticContact CE1-CE2 3.67Å; F300-F324 HydrophobicContact CE1-CE2 3.67Å; F300-F324 AromaticContact CE1-CZ 3.53Å; F300-F324 HydrophobicContact CE1-CZ 3.53Å; F300-F324 AromaticContact CE2-CE2 3.98Å; F300-F324 HydrophobicContact CE2-CE2 3.98Å; F300-F324 AromaticContact CZ-CE2 3.53Å; F300-F324 HydrophobicContact CZ-CE2 3.53Å; F300-F324 AromaticContact CZ-CZ 3.76Å; F300-F324 HydrophobicContact CZ-CZ 3.76Å; A318-F324 WeakPolarHBondContact O-CD2 3.48Å; A318-F324 WeakPolarHBondContact O-CE2 3.22Å; H321-F324 HydrophobicContact CB-CD2 4.3Å; H321-F324 PolarHBondContact O-N 3.38Å; P322-F324 PolarHBondContact O-N 3.12Å; P322-F324 VanDerWaalsContact O-N 3.11Å; F324-P326 VanDerWaalsContact C-CD 3.41Å; F324-P326 VanDerWaalsContact C-N 3.3Å; F324-I327 HydrophobicContact CD1-CG1 4.43Å; F324-I327 WeakPolarHBondContact O-CA 3.45Å; F324-I327 WeakPolarHBondContact O-CB 3.47Å; F324-I327 PolarHBondContact O-N 2.85Å; F324-V328 PolarHBondContact O-N 3.03Å
325	Y	97.8	Very high	90.1	Very high	143 Å²	143	67.6 Å²	67.6	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-53.4	-39.4	178	-73.3	2.9	0	0	0	114	P322 I327 V328 K329	P322-Y325 HydrophobicContact CB-CD2 4.33Å; P322-Y325 HydrophobicContact CB-CE2 4.13Å; P322-Y325 HydrophobicContact CG-CE2 4.29Å; P322-Y325 PolarHBondContact O-N 3.19Å; P322-Y325 VanDerWaalsContact O-N 3.15Å; Y325-I327 VanDerWaalsContact C-N 3.3Å; Y325-I327 PolarHBondContact O-N 3.31Å; Y325-V328 PolarHBondContact O-N 2.71Å; Y325-K329 VanDerWaalsContact O-CB 3.27Å; Y325-K329 WeakPolarHBondContact O-CB 3.49Å; Y325-K329 PolarHBondContact O-N 2.99Å
326	P	97.2	Very high	87.7	Confident	57 Å²	57	71.3 Å²	71.3	37%	0.37	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-40.2	173.6	-25.1	35.8	0	0	0	113.2	F324 E330	F324-P326 VanDerWaalsContact C-CD 3.41Å; F324-P326 VanDerWaalsContact C-N 3.3Å; P326-E330 PolarHBondContact O-N 2.89Å
327	I	96.7	Very high	85.1	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-68.6	-48.7	-178.9	-52.5	-52.3	0	0	0	110.6	Y131 R134 F135 F138 F324 Y325 K329 E330 Q331	Y131-I327 HydrophobicContact CD2-CD1 3.96Å; Y131-I327 HydrophobicContact CE1-CD1 4.07Å; Y131-I327 HydrophobicContact CE2-CD1 3.48Å; Y131-I327 VanDerWaalsContact CE2-CD1 3.48Å; Y131-I327 HydrophobicContact CG-CD1 4.46Å; R134-I327 HydrophobicContact CB-CD1 3.87Å; R134-I327 HydrophobicContact CB-CG1 3.86Å; F135-I327 HydrophobicContact CB-CD1 3.99Å; F135-I327 HydrophobicContact CD2-CG2 4.38Å; F138-I327 HydrophobicContact CB-CG2 4.19Å; F138-I327 HydrophobicContact CD1-CG2 3.84Å; F138-I327 HydrophobicContact CE1-CG2 4.4Å; F138-I327 HydrophobicContact CG-CG2 4.05Å; F324-I327 HydrophobicContact CD1-CG1 4.43Å; F324-I327 WeakPolarHBondContact O-CA 3.45Å; F324-I327 WeakPolarHBondContact O-CB 3.47Å; F324-I327 PolarHBondContact O-N 2.85Å; Y325-I327 VanDerWaalsContact C-N 3.3Å; Y325-I327 PolarHBondContact O-N 3.31Å; I327-K329 VanDerWaalsContact C-N 3.32Å; I327-K329 PolarHBondContact O-N 3.07Å; I327-E330 PolarHBondContact O-N 2.81Å; I327-Q331 HydrophobicContact CG2-CG 4.41Å; I327-Q331 WeakPolarHBondContact O-CG 3.3Å; I327-Q331 PolarHBondContact O-N 3.11Å
328	V	94.6	Very high	82.4	Confident	72 Å²	72	71.7 Å²	71.7	44%	0.436	42%	0.417	S	S	.	.	H	α-helix	trans	-61.7	-42.3	-179.8	177.1	0	0	0	0	110.9	F138 F324 Y325 E330 Q331 G332	F138-V328 HydrophobicContact CE2-CG2 3.94Å; F138-V328 HydrophobicContact CZ-CG2 3.78Å; F324-V328 PolarHBondContact O-N 3.03Å; Y325-V328 PolarHBondContact O-N 2.71Å; V328-E330 VanDerWaalsContact C-N 3.31Å; V328-E330 PolarHBondContact O-N 3.25Å; V328-Q331 PolarHBondContact O-N 3.26Å; V328-G332 PolarHBondContact O-N 3.15Å
329	K	92.4	Very high	79.6	Confident	131 Å²	131	79.1 Å²	79.1	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-61.8	-38.3	177.9	-176.5	177.5	179.9	178.8	0	112.4	Y325 I327 R333	Y325-K329 VanDerWaalsContact O-CB 3.27Å; Y325-K329 WeakPolarHBondContact O-CB 3.49Å; Y325-K329 PolarHBondContact O-N 2.99Å; I327-K329 VanDerWaalsContact C-N 3.32Å; I327-K329 PolarHBondContact O-N 3.07Å; K329-R333 VanDerWaalsContact O-CG 3.31Å; K329-R333 WeakPolarHBondContact O-CG 3.2Å; K329-R333 PolarHBondContact O-N 2.99Å
330	E	89.6	Confident	76.6	Confident	91 Å²	91	86.6 Å²	86.6	43%	0.425	50%	0.496	S	S	.	.	H	α-helix	trans	-76.2	-42.9	179.4	-168.1	168.5	169.4	0	0	112.3	Y131 P326 I327 V328 G332 R333 M334	Y131-E330 VanDerWaalsContact CE2-OE2 3.32Å; Y131-E330 WeakPolarHBondContact CE2-OE2 3.39Å; Y131-E330 PolarHBondContact OH-OE2 3.02Å; P326-E330 PolarHBondContact O-N 2.89Å; I327-E330 PolarHBondContact O-N 2.81Å; V328-E330 VanDerWaalsContact C-N 3.31Å; V328-E330 PolarHBondContact O-N 3.25Å; E330-G332 VanDerWaalsContact C-N 3.25Å; E330-G332 PolarHBondContact O-N 3.19Å; E330-R333 PolarHBondContact O-N 3.12Å; E330-M334 PolarHBondContact O-N 3.09Å
331	Q	86.7	Confident	73.5	Confident	54 Å²	54	87.9 Å²	87.9	25%	0.252	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-34.4	174.6	-69.7	-172.4	5.5	0	0	112	E139 I327 V328 R333	E139-Q331 PolarHBondContact OE1-NE2 3.06Å; I327-Q331 HydrophobicContact CG2-CG 4.41Å; I327-Q331 WeakPolarHBondContact O-CG 3.3Å; I327-Q331 PolarHBondContact O-N 3.11Å; V328-Q331 PolarHBondContact O-N 3.26Å; Q331-R333 VanDerWaalsContact C-N 3.29Å; Q331-R333 PolarHBondContact O-N 2.94Å
332	G	78	Confident	70.4	Confident	70 Å²	70	93.1 Å²	93.1	72%	0.722	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.7	174.1	0	0	0	0	0	115.1	V328 E330	V328-G332 PolarHBondContact O-N 3.15Å; E330-G332 VanDerWaalsContact C-N 3.25Å; E330-G332 PolarHBondContact O-N 3.19Å
333	R	72.6	Confident	67.2	Low	179 Å²	179	94 Å²	94	68%	0.675	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-17.8	177.3	-75.4	171.2	172.7	-168.4	-8.1	113.5	K329 E330 Q331 P335	K329-R333 VanDerWaalsContact O-CG 3.31Å; K329-R333 WeakPolarHBondContact O-CG 3.2Å; K329-R333 PolarHBondContact O-N 2.99Å; E330-R333 PolarHBondContact O-N 3.12Å; Q331-R333 VanDerWaalsContact C-N 3.29Å; Q331-R333 PolarHBondContact O-N 2.94Å; R333-P335 WeakPolarHBondContact O-CD 3.48Å
334	M	59.2	Low	64	Low	130 Å²	130	101.4 Å²	101.4	64%	0.64	61%	0.605	S	S	*	*	S	Bend	trans	-69.3	117.4	177.1	-72.3	-82.2	-139.1	0	0	110	E330 G336	E330-M334 PolarHBondContact O-N 3.09Å; M334-G336 PolarHBondContact O-N 3.17Å
335	P	40.9	Very low	60.7	Low	135 Å²	135	107.7 Å²	107.7	88%	0.877	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	104.6	175.3	14.3	-6.9	0	0	0	108.9	R333	R333-P335 WeakPolarHBondContact O-CD 3.48Å
336	G	48.2	Very low	57.5	Low	78 Å²	78	105.5 Å²	105.5	80%	0.804	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	156.1	-10.7	178	0	0	0	0	0	116.9	M334	M334-G336 PolarHBondContact O-N 3.17Å
337	S	44.4	Very low	54.3	Low	102 Å²	102	109 Å²	109	71%	0.713	68%	0.675	S	S	*	*			trans	-96.8	-0.4	-178.6	-161.8	0	0	0	0	114.7	N339	S337-N339 PolarHBondContact O-N 3.19Å
338	A	42.2	Very low	51	Low	89 Å²	89	114.6 Å²	114.6	74%	0.736	71%	0.714	S	S	*	*			trans	-86.6	90.4	175.1	0	0	0	0	0	110.2
339	N	38.2	Very low	47.9	Very low	156 Å²	156	117 Å²	117	83%	0.834	73%	0.729	S	S	*	*			trans	172.9	90.7	139.6	-89.4	-17	0	0	0	111.6	S337	S337-N339 PolarHBondContact O-N 3.19Å
340	L	35.8	Very low	45	Very low	169 Å²	169	114.8 Å²	114.8	89%	0.885	74%	0.735	S	S	*	*			trans	-145.4	110.6	145.7	-90.4	165.1	0	0	0	106	C342	L340-C342 PolarHBondContact O-N 2.71Å; L340-C342 VanDerWaalsContact O-N 3.12Å
341	P	34.9	Very low	42.1	Very low	128 Å²	128	117.7 Å²	117.7	83%	0.831	75%	0.753	S	S	*	*			trans	-72.5	109.2	176.7	27.2	-27.4	0	0	0	108.4	G343	P341-G343 PolarHBondContact O-N 2.88Å
342	C	32.7	Very low	39.4	Very low	119 Å²	119	124.5 Å²	124.5	80%	0.804	79%	0.787	S	S	*	*			trans	-73.1	109.3	165.6	-142.7	0	0	0	0	107.1	L340 N344	L340-C342 PolarHBondContact O-N 2.71Å; L340-C342 VanDerWaalsContact O-N 3.12Å; C342-N344 PolarHBondContact O-N 3.03Å
343	G	31.3	Very low	37.2	Very low	70 Å²	70	128.4 Å²	128.4	72%	0.722	79%	0.79	S	S	*	*			trans	-67	97	176.4	0	0	0	0	0	110.5	P341 T345	P341-G343 PolarHBondContact O-N 2.88Å; G343-T345 PolarHBondContact O-N 3.09Å; G343-T345 VanDerWaalsContact O-N 3.07Å
344	N	32.3	Very low	35.1	Very low	156 Å²	156	126.7 Å²	126.7	83%	0.834	80%	0.8	S	S	*	*			trans	-68.7	98.6	163.9	-82.5	-11.3	0	0	0	108.8	C342	C342-N344 PolarHBondContact O-N 3.03Å
345	T	29.4	Very low	33.6	Very low	133 Å²	133	124.1 Å²	124.1	82%	0.816	81%	0.807	S	S	*	*			trans	-101.9	96.2	153.1	34.7	0	0	0	0	107.6	G343 V347	G343-T345 PolarHBondContact O-N 3.09Å; G343-T345 VanDerWaalsContact O-N 3.07Å; T345-V347 PolarHBondContact O-N 3.5Å
346	A	29.5	Very low	33.1	Very low	96 Å²	96	125.9 Å²	125.9	79%	0.793	81%	0.807	S	S	*	*			trans	-70.9	108.4	165.4	0	0	0	0	0	107.8	S348	A346-S348 PolarHBondContact O-N 3.32Å
347	V	30.4	Very low	32.1	Very low	132 Å²	132	127.2 Å²	127.2	80%	0.8	80%	0.804	S	S	*	*			trans	-78.4	97.1	163.4	-177.9	0	0	0	0	106.2	T345	T345-V347 PolarHBondContact O-N 3.5Å
348	S	28.2	Very low	31.4	Very low	117 Å²	117	127.1 Å²	127.1	82%	0.818	81%	0.809	S	S	*	*			trans	-95.9	115.7	171.6	-158	0	0	0	0	108.8	A346	A346-S348 PolarHBondContact O-N 3.32Å
349	T	29.3	Very low	30.8	Very low	123 Å²	123	130.7 Å²	130.7	76%	0.755	82%	0.815	S	S	*	*			trans	-94.1	134.5	172.1	35.9	0	0	0	0	110.7
350	A	30.1	Very low	30.6	Very low	84 Å²	84	129 Å²	129	69%	0.694	81%	0.813	S	S	*	*			trans	92.3	111.3	150	0	0	0	0	0	121.1
351	N	30.2	Very low	30.3	Very low	152 Å²	152	127.2 Å²	127.2	81%	0.813	81%	0.808	S	S	*	*				80.7	110.4	129.4	-65.3	-6.9	0	0	0	120.6
352	M	30.2	Very low	30	Very low	196 Å²	196	125.2 Å²	125.2	97%	0.966	80%	0.803	S	S	*	*				-144.1	142.8	122	-80.7	-141.5	-160.1	0	0	111.8
353	I	31.3	Very low	29.8	Very low	153 Å²	153	126.8 Å²	126.8	79%	0.785	81%	0.809	S	S	*	*			trans	-80.1	144.2	-178.8	-68.6	159.4	0	0	0	110.2
354	T	29.2	Very low	29.6	Very low	142 Å²	142	127.2 Å²	127.2	87%	0.871	81%	0.806	S	S	*	*			trans	141.4	137.2	139.5	50.2	0	0	0	0	111.7
355	G	26.4	Very low	29.4	Very low	77 Å²	77	127.1 Å²	127.1	79%	0.794	80%	0.804	S	S	*	*			trans	140.5	80.9	163.1	0	0	0	0	0	115.2
356	I	30	Very low	29.4	Very low	171 Å²	171	127.1 Å²	127.1	88%	0.877	80%	0.804	S	S	*	*			trans	-64.7	132.1	167.5	-63.4	155.7	0	0	0	109.3
357	S	28	Very low	29.3	Very low	107 Å²	107	128 Å²	128	75%	0.748	80%	0.799	S	S	*	*				166.4	133.8	123.2	59.6	0	0	0	0	114.5
358	A	29.3	Very low	29.3	Very low	99 Å²	99	128.9 Å²	128.9	82%	0.818	80%	0.799	S	S	*	*			trans	77	108.7	145	0	0	0	0	0	120.7
359	L	29.6	Very low	29.3	Very low	165 Å²	165	129.5 Å²	129.5	86%	0.864	80%	0.798	S	S	*	*			trans	-72.9	160.3	148.8	-77.6	159.9	0	0	0	110.3
360	P	34.2	Very low	29.3	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	80%	0.801	S	S	*	*				-140.9	133.5	103.4	29.9	-12	0	0	0	115.6
361	V	29.3	Very low	29.3	Very low	131 Å²	131	128.9 Å²	128.9	79%	0.794	81%	0.806	S	S	*	*				38.5	113.7	125.3	-172.7	0	0	0	0	121
362	A	29.3	Very low	29.9	Very low	87 Å²	87	127.3 Å²	127.3	72%	0.719	80%	0.804	S	S	*	*			trans	51.1	131.4	132.3	0	0	0	0	0	123.2
363	T	28.1	Very low	30.1	Very low	152 Å²	152	124 Å²	124	93%	0.933	80%	0.795	S	S	*	*				-158.7	151.5	116.3	-12.5	0	0	0	0	111.8
364	A	27.4	Very low	30.1	Very low	79 Å²	79	123.9 Å²	123.9	65%	0.653	80%	0.795	S	S	*	*			trans	-105.6	173.6	-166.5	0	0	0	0	0	113.9
365	L	28.1	Very low	30.1	Very low	153 Å²	153	122 Å²	122	80%	0.801	79%	0.788	S	S	*	*			trans	74.8	126.2	153.7	-80.3	133.1	0	0	0	118.9
366	V	28.2	Very low	30.3	Very low	134 Å²	134	122.9 Å²	122.9	81%	0.812	79%	0.787	S	S	*	*				-167.1	123.4	105.3	156.9	0	0	0	0	109.2
367	T	29.1	Very low	30.3	Very low	113 Å²	113	119 Å²	119	69%	0.693	78%	0.78	S	S	*	*			trans	-74.5	154.1	161.9	37.1	0	0	0	0	111.8
368	L	28.9	Very low	30.5	Very low	152 Å²	152	119.6 Å²	119.6	80%	0.796	78%	0.78	S	S	*	*			trans	-175.7	100.6	144.9	-93.4	157.8	0	0	0	107.8
369	T	29.7	Very low	30.6	Very low	130 Å²	130	122 Å²	122	80%	0.798	78%	0.779	S	S	*	*				67.1	128	95.2	61.6	0	0	0	0	116.7
370	G	28.4	Very low	30.8	Very low	78 Å²	78	118.1 Å²	118.1	80%	0.804	77%	0.771	S	S	*	*			trans	139.2	89.3	142.8	0	0	0	0	0	117.3
371	S	31	Very low	30.7	Very low	115 Å²	115	120 Å²	120	80%	0.804	77%	0.773	S	S	*	*			trans	-87.3	159.8	148.2	-56.7	0	0	0	0	109.8
372	P	43.2	Very low	30.8	Very low	120 Å²	120	118.5 Å²	118.5	78%	0.779	77%	0.768	S	S	*	*				-140	142.2	101.8	31	-13.8	0	0	0	111.4
373	V	32.8	Very low	31.4	Very low	126 Å²	126	120.9 Å²	120.9	76%	0.764	77%	0.774	S	S	*	*				57.3	113.8	67.1	-168.7	0	0	0	0	115.7
374	L	30.9	Very low	32.6	Very low	151 Å²	151	118.8 Å²	118.8	79%	0.791	76%	0.763	S	S	*	*				172.2	109.4	127.8	-90.2	158.6	0	0	0	108.2
375	S	30.6	Very low	33.1	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	77%	0.768	S	S	*	*				69.1	149.5	92.8	81.3	0	0	0	0	114.5
376	A	29.9	Very low	34.1	Very low	94 Å²	94	119.4 Å²	119.4	78%	0.777	77%	0.767	S	S	*	*			cis	175.7	148.9	-15	0	0	0	0	0	104.6
377	A	30	Very low	34.6	Very low	89 Å²	89	117.9 Å²	117.9	74%	0.736	77%	0.768	S	S	*	*			trans	166.8	106.2	146.2	0	0	0	0	0	108.5
378	T	32.6	Very low	35.4	Very low	120 Å²	120	117.4 Å²	117.4	74%	0.736	78%	0.775	S	S	*	*				66	109.4	73.1	61.9	0	0	0	0	116
379	N	31.6	Very low	36	Very low	150 Å²	150	115.1 Å²	115.1	80%	0.802	78%	0.778	S	S	*	*				153.2	108.9	126.6	-79.5	-13	0	0	0	108.3
380	A	33	Very low	36.6	Very low	84 Å²	84	112.4 Å²	112.4	69%	0.694	78%	0.776	S	S	*	*				83.3	138.1	61.5	0	0	0	0	0	114.2
381	L	32.9	Very low	37.6	Very low	159 Å²	159	114.8 Å²	114.8	83%	0.832	78%	0.778	S	S	*	*			trans	95.5	102.7	163	-58.4	164.6	0	0	0	115.8
382	S	31.8	Very low	38.9	Very low	99 Å²	99	114.8 Å²	114.8	69%	0.692	78%	0.775	S	S	*	*				68.9	132	77.2	72.9	0	0	0	0	111.9
383	V	40.8	Very low	39	Very low	138 Å²	138	122.1 Å²	122.1	84%	0.836	80%	0.799	S	S	*	*			cis	-173.1	171.8	23.2	125.5	0	0	0	0	106.8
384	P	53.5	Low	39.3	Very low	107 Å²	107	121.9 Å²	121.9	70%	0.695	80%	0.801	S	S	*	*			trans	-103.2	-159.5	-159	36.2	-22.6	0	0	0	114.6
385	V	37.1	Very low	39.7	Very low	128 Å²	128	120.4 Å²	120.4	78%	0.776	80%	0.801	S	S	*	*			trans	111.5	149.9	158.3	-174.6	0	0	0	0	115
386	P	49.3	Very low	40.2	Very low	118 Å²	118	121.3 Å²	121.3	77%	0.766	81%	0.806	S	S	*	*			cis	-128.4	172.8	-12.4	24.9	-2.9	0	0	0	116.5
387	A	39.1	Very low	40.8	Very low	101 Å²	101	122.9 Å²	122.9	84%	0.835	81%	0.807	S	S	*	*			trans	-74.7	156.2	159	0	0	0	0	0	113.5
388	A	45.9	Very low	41.5	Very low	103 Å²	103	125.1 Å²	125.1	85%	0.851	81%	0.812	S	S	*	*			trans	-134.7	127.8	163	0	0	0	0	0	110.8
389	A	42	Very low	42.1	Very low	104 Å²	104	125.4 Å²	125.4	86%	0.86	82%	0.817	S	S	*	*			trans	-72.6	135.6	164.9	0	0	0	0	0	109.7
390	G	41.4	Very low	42.8	Very low	73 Å²	73	123.6 Å²	123.6	75%	0.753	82%	0.818	S	S	*	*				84.2	163.7	89.9	0	0	0	0	0	112.6
391	P	49.3	Very low	43.6	Very low	129 Å²	129	126.7 Å²	126.7	84%	0.838	83%	0.827	S	S	*	*			cis	-130.7	-140.5	-25.5	30.8	-4.7	0	0	0	110.8
392	P	59	Low	44.5	Very low	115 Å²	115	124 Å²	124	75%	0.747	83%	0.827	S	S	*	*				-111.5	164.4	-96.8	38.1	-22	0	0	0	115.1
393	Q	44.8	Very low	45.6	Very low	273 Å²	273	126.3 Å²	126.3	100%	1.276	84%	0.839	S	S	*	*			trans	-159.5	0	140.4	-107.4	-176.5	30.1	0	0	110.5

Retrieved 393 of 393 residues in 170.3 ms (Link to these results)

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