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Casein kinase II subunit alpha

Catalytic subunit of a constitutively active serine/threonine-protein kinase complex that phosphorylates a large number of substrates containing acidic residues C-terminal to the phosphorylated serine or threonine. Regulates numerous cellular processes, such as cell cycle progression, apoptosis and transcription, as well as viral infection. May act as a regulatory node which integrates and coordinates numerous signals leading to an appropriate cellular response. During mitosis, functions as a component of the p53/TP53-dependent spindle assembly checkpoint (SAC) that maintains cyclin-B-CDK1 activity and G2 arrest in response to spindle damage. Can also negatively regulate apoptosis. Phosphorylates the caspases CASP9 and CASP2 and the apoptotic regulator NOL3. Phosphorylation protects CASP9 from cleavage and activation by CASP8, and inhibits the dimerization of CASP2 and activation of CASP8 (By similarity). Plays an important role in the circadian clock function by phosphorylating BMAL1 (By similarity).

AlphaFold DB , UniProt , Accession P21868, Species CHICK (Gallus gallus, Chicken), Gene CSNK2A1, Length 391 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	62.5	Low	93.1	Very high	217 Å²	217	76.3 Å²	76.3	100%	1.069	43%	0.427	S	S	*	.				0	169.6	0	-62.8	169	-173.9	0	0	107.7
2	S	84.8	Confident	93.6	Very high	89 Å²	89	75.4 Å²	75.4	62%	0.622	41%	0.413	S	S	*	.			trans	-63.7	149.9	162.7	38.1	0	0	0	0	109.8	N262	S2-N262 PolarHBondContact O-ND2 3.09Å; S2-N262 PolarHBondContact OG-ND2 3.45Å
3	G	91.7	Very high	94	Very high	52 Å²	52	72.1 Å²	72.1	54%	0.536	40%	0.397	S	S	.	.			trans	-72.6	174.1	169.7	0	0	0	0	0	112.3	N262	G3-N262 PolarHBondContact O-ND2 2.66Å
4	P	96.3	Very high	94.3	Very high	60 Å²	60	71.9 Å²	71.9	39%	0.39	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61.5	143.6	177	26.3	-34.6	0	0	0	111.6	Y206 M208 Y261	P4-Y206 HydrophobicContact CB-CD2 4.29Å; P4-Y206 HydrophobicContact CB-CE2 4.08Å; P4-M208 HydrophobicContact CG-CE 4.21Å; P4-Y261 CarbonylContact C-O 3.46Å; P4-Y261 WeakPolarHBondContact CA-O 3.23Å
5	V	98	Very high	94.6	Very high	63 Å²	63	69.5 Å²	69.5	38%	0.382	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-67.1	132.1	179	-176.9	0	0	0	0	109.3	Y206 Y261 N262	V5-Y206 WeakPolarHBondContact O-CE2 3.22Å; V5-Y206 PolarHBondContact O-OH 2.96Å; V5-Y261 HydrophobicContact CB-CD1 4.38Å; V5-Y261 PolarHBondContact N-O 2.63Å; V5-N262 HydrophobicContact CG2-CB 3.98Å
6	P	97.6	Very high	94.8	Very high	83 Å²	83	65.2 Å²	65.2	54%	0.539	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.1	137.2	-177.9	27.9	-35.2	0	0	0	113	M208	P6-M208 HydrophobicContact CB-CE 4.19Å; P6-M208 HydrophobicContact CB-SD 3.79Å
7	S	98.3	Very high	95	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.007	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-102.5	161.3	172.9	179.8	0	0	0	0	111.9	Y206 M208 H309 Q310	S7-Y206 WeakPolarHBondContact CB-OH 3.41Å; S7-Y206 PolarHBondContact N-OH 2.95Å; S7-Y206 VanDerWaalsContact N-OH 3.1Å; S7-M208 WeakPolarHBondContact CB-O 3.4Å; S7-H309 WeakPolarHBondContact CB-NE2 3.49Å; S7-H309 PolarHBondContact OG-NE2 2.94Å; S7-Q310 PolarHBondContact OG-NE2 2.87Å
8	R	98.5	Very high	95.2	Very high	113 Å²	113	71.4 Å²	71.4	43%	0.426	39%	0.389	S	S	.	.			trans	-137.7	145.1	168.2	-65.7	-63	-177.4	-87.7	6.6	108.6	T13 G185	R8-T13 HydrophobicContact CB-CG2 4Å; R8-G185 VanDerWaalsContact NH1-CA 3.25Å
9	A	98.8	Very high	95.3	Very high	5 Å²	5	73.2 Å²	73.2	4%	0.041	39%	0.389	C	S	.	.			trans	-59.5	139.5	171.7	0	0	0	0	0	110.7	V11 T13 Y182 D210 Y211	A9-V11 VanDerWaalsContact C-N 3.28Å; A9-V11 WeakPolarHBondContact CB-O 3.41Å; A9-V11 PolarHBondContact O-N 1.89Å; A9-T13 HydrophobicContact CB-CG2 4.49Å; A9-T13 WeakPolarHBondContact O-CG2 3.47Å; A9-T13 PolarHBondContact O-OG1 2.7Å; A9-Y182 HydrophobicContact CB-CD1 4.47Å; A9-Y182 HydrophobicContact CB-CE1 3.82Å; A9-Y182 PolarHBondContact N-OH 2.96Å; A9-D210 HydrophobicContact CB-CB 3.8Å; A9-Y211 HydrophobicContact CB-CD2 3.66Å; A9-Y211 HydrophobicContact CB-CE2 3.64Å
10	R	98.8	Very high	95.5	Very high	112 Å²	112	73.8 Å²	73.8	42%	0.423	40%	0.398	S	S	.	.	S	Bend	trans	-69.9	-23.8	176.5	-65.6	-161.1	-66.6	101.5	-7.6	113.9	Q310 R312 E317	R10-Q310 VanDerWaalsContact CD-O 3.28Å; R10-Q310 WeakPolarHBondContact CD-O 3.41Å; R10-Q310 HydrophobicContact CG-CB 4.48Å; R10-Q310 PolarHBondContact NE-O 3.29Å; R10-R312 PolarHBondContact NH2-O 2.62Å; R10-E317 IonicContact CZ-OE1 2.71Å; R10-E317 IonicContact CZ-OE2 3.5Å; R10-E317 IonicContact NH1-OE1 2.72Å; R10-E317 PolarHBondContact NH1-OE1 3.22Å; R10-E317 IonicContact NH1-OE2 3.61Å; R10-E317 IonicContact NH2-OE1 3.98Å; R10-E317 PolarHBondContact NH2-OE1 3.07Å; R10-E317 IonicContact NH2-OE2 3.28Å; R10-E317 PolarHBondContact NH2-OE2 3.36Å
11	V	98.8	Very high	95.6	Very high	44 Å²	44	77.1 Å²	77.1	27%	0.267	41%	0.405	S	S	.	.	S	Bend	trans	-136.3	158.2	179.4	-67	0	0	0	0	109.5	A9 T13 Y211 T314	A9-V11 VanDerWaalsContact C-N 3.28Å; A9-V11 WeakPolarHBondContact CB-O 3.41Å; A9-V11 PolarHBondContact O-N 1.89Å; V11-T13 PolarHBondContact O-N 3.24Å; V11-Y211 VanDerWaalsContact O-CE2 3.3Å; V11-Y211 WeakPolarHBondContact O-CE2 3.15Å; V11-T314 HydrophobicContact CB-CG2 4.33Å; V11-T314 HydrophobicContact CG1-CG2 3.86Å; V11-T314 HydrophobicContact CG2-CG2 3.49Å; V11-T314 VanDerWaalsContact CG2-CG2 3.49Å
12	Y	98.8	Very high	97.3	Very high	66 Å²	66	73 Å²	73	26%	0.259	38%	0.383	S	S	.	.	S	Bend	trans	52.7	27.7	177.8	-45.7	-56	0	0	0	114.3	D14 V15 D145 H148 S149 Y211	Y12-D14 VanDerWaalsContact C-N 3.34Å; Y12-D14 PolarHBondContact O-N 3.16Å; Y12-V15 HydrophobicContact CD1-CG1 4.27Å; Y12-V15 WeakPolarHBondContact O-CG2 3.37Å; Y12-D145 PolarHBondContact OH-OD1 3.08Å; Y12-H148 WeakPolarHBondContact CB-O 3.33Å; Y12-H148 VanDerWaalsContact CD2-C 3.47Å; Y12-H148 HydrophobicContact CD2-CB 3.88Å; Y12-H148 HydrophobicContact CE2-CB 4.1Å; Y12-S149 VanDerWaalsContact CE1-CB 3.46Å; Y12-S149 VanDerWaalsContact CZ-CB 3.49Å; Y12-Y211 PolarHBondContact O-OH 2.75Å
13	T	98.8	Very high	97.9	Very high	32 Å²	32	70 Å²	70	20%	0.196	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.3	-167.5	-39.1	0	0	0	0	112.9	R8 A9 V11 Y182 P184	R8-T13 HydrophobicContact CB-CG2 4Å; A9-T13 HydrophobicContact CB-CG2 4.49Å; A9-T13 WeakPolarHBondContact O-CG2 3.47Å; A9-T13 PolarHBondContact O-OG1 2.7Å; V11-T13 PolarHBondContact O-N 3.24Å; T13-Y182 HydrophobicContact CG2-CE1 4.49Å; T13-Y182 WeakPolarHBondContact O-CE1 3.24Å; T13-P184 HydrophobicContact CG2-CB 4.34Å
14	D	98.6	Very high	98.3	Very high	69 Å²	69	71.2 Å²	71.2	37%	0.369	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	15	-172.7	-61.1	-79	0	0	0	113.1	Y12 N16 T17 H18	Y12-D14 VanDerWaalsContact C-N 3.34Å; Y12-D14 PolarHBondContact O-N 3.16Å; D14-N16 VanDerWaalsContact C-N 3.28Å; D14-N16 PolarHBondContact O-N 2.71Å; D14-T17 WeakPolarHBondContact O-CA 3.18Å; D14-T17 VanDerWaalsContact O-CB 3.27Å; D14-T17 WeakPolarHBondContact O-CB 3.28Å; D14-T17 PolarHBondContact O-N 3.19Å; D14-H18 PolarHBondContact O-N 3.14Å; D14-H18 VanDerWaalsContact O-N 3.16Å; D14-H18 PolarHBondContact O-ND1 3.48Å
15	V	98.6	Very high	98.3	Very high	36 Å²	36	69.1 Å²	69.1	22%	0.218	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-35.4	-172.6	-61.5	0	0	0	0	112.6	Y12 H18 R19	Y12-V15 HydrophobicContact CD1-CG1 4.27Å; Y12-V15 WeakPolarHBondContact O-CG2 3.37Å; V15-H18 PolarHBondContact O-N 2.78Å; V15-R19 WeakPolarHBondContact O-CG 3.39Å; V15-R19 PolarHBondContact O-N 3.1Å
16	N	98.7	Very high	98.4	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.4	174.3	-70.8	-40.9	0	0	0	112.9	D14 H18 R19 Y23 W24 G151 Y182	D14-N16 VanDerWaalsContact C-N 3.28Å; D14-N16 PolarHBondContact O-N 2.71Å; N16-H18 PolarHBondContact O-N 3.18Å; N16-R19 PolarHBondContact O-N 3.18Å; N16-Y23 WeakPolarHBondContact OD1-CD1 3.44Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.27Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.39Å; N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.3Å; N16-W24 PolarHBondContact O-NE1 3.22Å; N16-W24 VanDerWaalsContact O-NE1 3.12Å; N16-G151 PolarHBondContact ND2-O 3.39Å; N16-Y182 PolarHBondContact ND2-N 3.08Å; N16-Y182 PolarHBondContact ND2-O 2.99Å
17	T	98	Very high	98.3	Very high	86 Å²	86	68 Å²	68	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.4	174	-42.4	0	0	0	0	111.5	D14	D14-T17 WeakPolarHBondContact O-CA 3.18Å; D14-T17 VanDerWaalsContact O-CB 3.27Å; D14-T17 WeakPolarHBondContact O-CB 3.28Å; D14-T17 PolarHBondContact O-N 3.19Å
18	H	98.1	Very high	98.3	Very high	157 Å²	157	71.7 Å²	71.7	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	1.5	178.4	-61.1	100.5	0	0	0	114.3	D14 V15 N16	D14-H18 PolarHBondContact O-N 3.14Å; D14-H18 VanDerWaalsContact O-N 3.16Å; D14-H18 PolarHBondContact O-ND1 3.48Å; V15-H18 PolarHBondContact O-N 2.78Å; N16-H18 PolarHBondContact O-N 3.18Å
19	R	98.2	Very high	98.2	Very high	104 Å²	104	67.6 Å²	67.6	39%	0.392	33%	0.326	S	S	.	.	S	Bend	trans	-96.3	152.9	176.1	-69.3	-84.5	-171.9	-176.7	5.7	110.7	V15 N16 Y23 M150	V15-R19 WeakPolarHBondContact O-CG 3.39Å; V15-R19 PolarHBondContact O-N 3.1Å; N16-R19 PolarHBondContact O-N 3.18Å; R19-Y23 HydrophobicContact CB-CD1 3.86Å; R19-Y23 HydrophobicContact CB-CG 3.89Å; R19-Y23 HydrophobicContact CG-CD1 3.78Å; R19-Y23 HydrophobicContact CG-CE1 4.12Å; R19-Y23 HydrophobicContact CG-CG 4.01Å; R19-M150 PolarHBondContact NH2-SD 3.47Å; R19-M150 VanDerWaalsContact NH2-SD 3.43Å
20	P	98.3	Very high	98.2	Very high	86 Å²	86	73.3 Å²	73.3	56%	0.558	36%	0.36	S	S	*	.			trans	-52	145.8	166	-23.4	33.7	0	0	0	110.9	E22 Y23	P20-E22 VanDerWaalsContact CB-OE2 3.24Å; P20-E22 WeakPolarHBondContact CB-OE2 3.45Å; P20-E22 PolarHBondContact O-N 3.1Å; P20-E22 VanDerWaalsContact O-N 3.12Å; P20-Y23 WeakPolarHBondContact O-CB 3.18Å; P20-Y23 PolarHBondContact O-N 3.32Å
21	R	97.9	Very high	98.1	Very high	144 Å²	144	68.8 Å²	68.8	54%	0.543	35%	0.345	S	S	.	.	H	α-helix	trans	-55.7	-35.7	-176.1	175.1	176.9	171.6	166.1	-0.8	111.8	Y23 W24 D25	R21-Y23 PolarHBondContact O-N 3.03Å; R21-Y23 VanDerWaalsContact O-N 3.12Å; R21-W24 HydrophobicContact CB-CZ2 4.28Å; R21-W24 HydrophobicContact CG-CH2 4.08Å; R21-W24 HydrophobicContact CG-CZ2 4.03Å; R21-W24 PolarHBondContact O-N 3.49Å; R21-D25 HydrophobicContact CG-CB 3.78Å; R21-D25 IonicContact CZ-OD2 3.37Å; R21-D25 IonicContact NE-OD2 2.92Å; R21-D25 PolarHBondContact NE-OD2 3.36Å; R21-D25 IonicContact NH2-OD2 2.74Å; R21-D25 PolarHBondContact NH2-OD2 3.36Å; R21-D25 VanDerWaalsContact O-CB 3.26Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 PolarHBondContact O-N 3.03Å
22	E	97.6	Very high	98	Very high	131 Å²	131	75 Å²	75	61%	0.612	37%	0.371	S	S	*	.	H	α-helix	trans	-64.5	-14.3	-179	-55.7	66.2	-140.2	0	0	112.9	P20 K83	P20-E22 VanDerWaalsContact CB-OE2 3.24Å; P20-E22 WeakPolarHBondContact CB-OE2 3.45Å; P20-E22 PolarHBondContact O-N 3.1Å; P20-E22 VanDerWaalsContact O-N 3.12Å; E22-K83 WeakPolarHBondContact O-CE 3.01Å
23	Y	98.6	Very high	97.9	Very high	26 Å²	26	75.9 Å²	75.9	10%	0.102	37%	0.374	C	S	.	.	H	α-helix	trans	-70.7	-45.7	173.2	-175.6	-98.5	0	0	0	111.8	N16 R19 P20 R21 K83 N87 M150 F181	N16-Y23 WeakPolarHBondContact OD1-CD1 3.44Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.27Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.39Å; R19-Y23 HydrophobicContact CB-CD1 3.86Å; R19-Y23 HydrophobicContact CB-CG 3.89Å; R19-Y23 HydrophobicContact CG-CD1 3.78Å; R19-Y23 HydrophobicContact CG-CE1 4.12Å; R19-Y23 HydrophobicContact CG-CG 4.01Å; P20-Y23 WeakPolarHBondContact O-CB 3.18Å; P20-Y23 PolarHBondContact O-N 3.32Å; R21-Y23 PolarHBondContact O-N 3.03Å; R21-Y23 VanDerWaalsContact O-N 3.12Å; Y23-K83 WeakPolarHBondContact O-CE 3.46Å; Y23-N87 HydrophobicContact CE2-CB 3.91Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.13Å; Y23-N87 PolarHBondContact O-ND2 3.45Å; Y23-M150 WeakPolarHBondContact CE1-O 3.42Å; Y23-M150 HydrophobicContact CE2-CE 4.39Å; Y23-M150 WeakPolarHBondContact OH-CE 3.25Å; Y23-M150 PolarHBondContact OH-O 2.92Å; Y23-F181 HydrophobicContact CD1-CD1 4.46Å; Y23-F181 HydrophobicContact CD1-CE1 4.08Å; Y23-F181 HydrophobicContact CE1-CD1 4.25Å; Y23-F181 AromaticContact CE1-CE1 3.85Å; Y23-F181 HydrophobicContact CE1-CE1 3.85Å; Y23-F181 WeakPolarHBondContact O-CZ 3.38Å
24	W	98.3	Very high	97.9	Very high	76 Å²	76	75.8 Å²	75.8	29%	0.288	38%	0.379	S	S	.	.	H	α-helix	trans	-114.1	-18.6	-171.4	55	-102.6	0	0	0	114.2	N16 R21 Y26 F181 H183	N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.3Å; N16-W24 PolarHBondContact O-NE1 3.22Å; N16-W24 VanDerWaalsContact O-NE1 3.12Å; R21-W24 HydrophobicContact CB-CZ2 4.28Å; R21-W24 HydrophobicContact CG-CH2 4.08Å; R21-W24 HydrophobicContact CG-CZ2 4.03Å; R21-W24 PolarHBondContact O-N 3.49Å; W24-Y26 VanDerWaalsContact O-CD1 3.23Å; W24-Y26 WeakPolarHBondContact O-CD1 3.11Å; W24-Y26 PolarHBondContact O-N 2.72Å; W24-F181 HydrophobicContact CB-CB 4.2Å; W24-F181 HydrophobicContact CB-CD1 3.72Å; W24-F181 HydrophobicContact CB-CD2 4.27Å; W24-F181 HydrophobicContact CB-CE1 4.15Å; W24-F181 HydrophobicContact CB-CG 3.79Å; W24-H183 AromaticContact CD2-CE1 3.49Å; W24-H183 VanDerWaalsContact CD2-CE1 3.49Å; W24-H183 AromaticContact CE3-CE1 3.73Å; W24-H183 AromaticContact CE3-NE2 3.94Å; W24-H183 AromaticContact CG-CE1 3.61Å
25	D	98.1	Very high	97.8	Very high	17 Å²	17	75.2 Å²	75.2	9%	0.091	38%	0.376	C	S	.	.			trans	-75.8	72.1	171.9	-168.5	-15	0	0	0	111	R21 E27 S28 H29	R21-D25 HydrophobicContact CG-CB 3.78Å; R21-D25 IonicContact CZ-OD2 3.37Å; R21-D25 IonicContact NE-OD2 2.92Å; R21-D25 PolarHBondContact NE-OD2 3.36Å; R21-D25 IonicContact NH2-OD2 2.74Å; R21-D25 PolarHBondContact NH2-OD2 3.36Å; R21-D25 VanDerWaalsContact O-CB 3.26Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 PolarHBondContact O-N 3.03Å; D25-E27 PolarHBondContact O-N 3.12Å; D25-E27 PolarHBondContact OD1-N 3.09Å; D25-E27 VanDerWaalsContact OD1-N 3.15Å; D25-S28 PolarHBondContact O-N 3.39Å; D25-S28 PolarHBondContact OD1-N 3.35Å; D25-S28 PolarHBondContact OD2-OG 2.68Å; D25-H29 PolarHBondContact O-N 3.31Å
26	Y	98.3	Very high	97.8	Very high	22 Å²	22	74.4 Å²	74.4	9%	0.086	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.8	174.8	64.4	-102.1	0	0	0	113	W24 K76 K79 R80 E180 F181	W24-Y26 VanDerWaalsContact O-CD1 3.23Å; W24-Y26 WeakPolarHBondContact O-CD1 3.11Å; W24-Y26 PolarHBondContact O-N 2.72Å; Y26-K76 HydrophobicContact CD2-CG 4.41Å; Y26-K76 HydrophobicContact CE2-CD 4.25Å; Y26-K76 HydrophobicContact CE2-CG 3.62Å; Y26-K76 WeakPolarHBondContact OH-CE 3.18Å; Y26-K79 WeakPolarHBondContact O-CB 3.25Å; Y26-K79 WeakPolarHBondContact O-CD 3.39Å; Y26-R80 HydrophobicContact CD1-CB 4.21Å; Y26-R80 HydrophobicContact CD1-CG 3.77Å; Y26-R80 HydrophobicContact CD2-CB 3.49Å; Y26-R80 VanDerWaalsContact CD2-CB 3.49Å; Y26-R80 HydrophobicContact CD2-CG 3.98Å; Y26-R80 HydrophobicContact CE1-CB 4.32Å; Y26-R80 HydrophobicContact CE1-CG 3.73Å; Y26-R80 HydrophobicContact CE2-CB 3.61Å; Y26-R80 HydrophobicContact CE2-CG 3.94Å; Y26-R80 HydrophobicContact CG-CB 3.8Å; Y26-R80 HydrophobicContact CG-CG 3.88Å; Y26-R80 VanDerWaalsContact CZ-CD 3.45Å; Y26-E180 PolarHBondContact OH-OE1 2.8Å; Y26-F181 AromaticContact CD1-CD2 3.69Å; Y26-F181 HydrophobicContact CD1-CD2 3.69Å; Y26-F181 AromaticContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CE1-CD2 4.09Å
27	E	97	Very high	97.7	Very high	101 Å²	101	78.8 Å²	78.8	47%	0.472	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-38.5	172.9	-60.7	-144.8	-113.6	0	0	111	D25 K76 K79	D25-E27 PolarHBondContact O-N 3.12Å; D25-E27 PolarHBondContact OD1-N 3.09Å; D25-E27 VanDerWaalsContact OD1-N 3.15Å; E27-K76 VanDerWaalsContact CD-CD 3.5Å; E27-K76 VanDerWaalsContact CD-NZ 3.32Å; E27-K76 HydrophobicContact CG-CD 4.22Å; E27-K76 HydrophobicContact CG-CG 4.14Å; E27-K76 WeakPolarHBondContact OE1-CE 3.28Å; E27-K76 IonicContact OE1-NZ 3.01Å; E27-K76 PolarHBondContact OE1-NZ 2.94Å; E27-K76 WeakPolarHBondContact OE2-CD 3.42Å; E27-K76 WeakPolarHBondContact OE2-CG 3.46Å; E27-K76 IonicContact OE2-NZ 3.99Å; E27-K79 PolarHBondContact O-NZ 2.61Å
28	S	97.1	Very high	97.7	Very high	78 Å²	78	77.5 Å²	77.5	55%	0.545	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-36	172.7	-72.2	0	0	0	0	113.6	D25 V30	D25-S28 PolarHBondContact O-N 3.39Å; D25-S28 PolarHBondContact OD1-N 3.35Å; D25-S28 PolarHBondContact OD2-OG 2.68Å; S28-V30 PolarHBondContact O-N 2.73Å
29	H	97.7	Very high	97.7	Very high	27 Å²	27	71.1 Å²	71.1	13%	0.125	35%	0.353	C	S	.	.			trans	-43.3	126.1	-177.1	165.2	68.7	0	0	0	114.5	D25 V31 K79 I82 E86	D25-H29 PolarHBondContact O-N 3.31Å; H29-V31 WeakPolarHBondContact NE2-CG2 3.38Å; H29-K79 VanDerWaalsContact O-CD 3.3Å; H29-K79 WeakPolarHBondContact O-CD 3.44Å; H29-K79 WeakPolarHBondContact O-CE 3.48Å; H29-K79 PolarHBondContact O-NZ 3.49Å; H29-I82 WeakPolarHBondContact NE2-CG2 3.38Å; H29-E86 IonicContact CE1-OE1 2.88Å; H29-E86 PolarHBondContact CE1-OE1 2.88Å; H29-E86 IonicContact CE1-OE2 3.17Å; H29-E86 PolarHBondContact CE1-OE2 3.35Å; H29-E86 VanDerWaalsContact CE1-OE2 3.31Å; H29-E86 IonicContact ND1-OE2 2.65Å; H29-E86 IonicContact NE2-OE1 3.69Å
30	V	97.4	Very high	97.7	Very high	124 Å²	124	72.5 Å²	72.5	75%	0.752	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-92.7	122.8	177.7	179.2	0	0	0	0	108.9	S28	S28-V30 PolarHBondContact O-N 2.73Å
31	V	96.9	Very high	97.7	Very high	17 Å²	17	71.7 Å²	71.7	10%	0.103	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-94.3	120.1	177.5	-179.4	0	0	0	0	108.7	H29 W33 K79 I82 I100	H29-V31 WeakPolarHBondContact NE2-CG2 3.38Å; V31-W33 HydrophobicContact CB-CZ2 3.8Å; V31-W33 HydrophobicContact CG1-CD2 3.8Å; V31-W33 HydrophobicContact CG1-CE3 4.29Å; V31-W33 HydrophobicContact CG1-CG 4.34Å; V31-W33 HydrophobicContact CG1-CH2 3.99Å; V31-W33 HydrophobicContact CG1-CZ2 3.43Å; V31-W33 VanDerWaalsContact CG1-CZ2 3.43Å; V31-W33 HydrophobicContact CG1-CZ3 4.37Å; V31-W33 HydrophobicContact CG2-CZ2 4.26Å; V31-W33 PolarHBondContact O-NE1 3.49Å; V31-K79 HydrophobicContact CG2-CG 4.28Å; V31-I82 HydrophobicContact CB-CD1 4.48Å; V31-I82 HydrophobicContact CG1-CD1 3.84Å; V31-I82 HydrophobicContact CG2-CD1 3.75Å; V31-I82 HydrophobicContact CG2-CG2 4.33Å; V31-I100 HydrophobicContact CG1-CB 4.5Å; V31-I100 HydrophobicContact CG1-CD1 4.42Å; V31-I100 HydrophobicContact CG1-CG2 3.6Å
32	E	96.6	Very high	97.7	Very high	174 Å²	174	68.8 Å²	68.8	81%	0.813	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-76.2	141.4	163.2	-61.9	-175.2	172.1	0	0	109.1
33	W	97.6	Very high	97.7	Very high	86 Å²	86	69.1 Å²	69.1	33%	0.326	35%	0.348	S	S	.	.			trans	-123.7	112.6	-172.3	-62.6	87.5	0	0	0	111	V31 I78 I82 I100 K102 P109	V31-W33 HydrophobicContact CB-CZ2 3.8Å; V31-W33 HydrophobicContact CG1-CD2 3.8Å; V31-W33 HydrophobicContact CG1-CE3 4.29Å; V31-W33 HydrophobicContact CG1-CG 4.34Å; V31-W33 HydrophobicContact CG1-CH2 3.99Å; V31-W33 HydrophobicContact CG1-CZ2 3.43Å; V31-W33 VanDerWaalsContact CG1-CZ2 3.43Å; V31-W33 HydrophobicContact CG1-CZ3 4.37Å; V31-W33 HydrophobicContact CG2-CZ2 4.26Å; V31-W33 PolarHBondContact O-NE1 3.49Å; W33-I78 HydrophobicContact CH2-CG2 4.13Å; W33-I82 HydrophobicContact CH2-CD1 4.08Å; W33-I100 CarbonylContact C-O 3.56Å; W33-I100 WeakPolarHBondContact CA-O 3.36Å; W33-I100 HydrophobicContact CD2-CG2 4.34Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.1Å; W33-I100 HydrophobicContact CZ3-CG2 3.52Å; W33-K102 HydrophobicContact CB-CD 4.3Å; W33-K102 HydrophobicContact CD2-CD 3.8Å; W33-K102 HydrophobicContact CD2-CG 4.11Å; W33-K102 VanDerWaalsContact CE2-CE 3.49Å; W33-K102 HydrophobicContact CE3-CD 3.86Å; W33-K102 HydrophobicContact CE3-CG 3.64Å; W33-K102 HydrophobicContact CG-CD 3.97Å; W33-K102 VanDerWaalsContact CG-NZ 3.31Å; W33-K102 HydrophobicContact CZ3-CG 4.15Å; W33-P109 HydrophobicContact CE3-CB 4.34Å; W33-P109 HydrophobicContact CH2-CB 3.61Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å
34	G	97.7	Very high	97.6	Very high	29 Å²	29	72.6 Å²	72.6	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	173.9	169.7	0	0	0	0	0	113	I100 V101 K102	G34-I100 PolarHBondContact N-O 3.36Å; G34-V101 WeakPolarHBondContact O-CA 3.25Å; G34-K102 PolarHBondContact O-N 2.96Å; G34-K102 VanDerWaalsContact O-N 3.08Å
35	N	97.4	Very high	97.4	Very high	57 Å²	57	72.6 Å²	72.6	31%	0.305	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.9	178.2	-168.4	18.7	0	0	0	110.8	D37	N35-D37 VanDerWaalsContact C-N 3.31Å; N35-D37 WeakPolarHBondContact ND2-CB 3.45Å; N35-D37 PolarHBondContact ND2-OD2 2.77Å; N35-D37 PolarHBondContact OD1-N 3.03Å; N35-D37 PolarHBondContact OD1-OD2 3.15Å
36	Q	97.5	Very high	97	Very high	20 Å²	20	73.1 Å²	73.1	9%	0.093	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-76.5	-20.5	176.4	-165.5	-175.4	-94.1	0	0	112.3	D38 Y39 V101 K102 D103	Q36-D38 PolarHBondContact O-N 3.15Å; Q36-D38 VanDerWaalsContact O-N 3.17Å; Q36-Y39 PolarHBondContact O-N 2.79Å; Q36-V101 HydrophobicContact CB-CB 4.18Å; Q36-V101 HydrophobicContact CB-CG2 3.86Å; Q36-V101 HydrophobicContact CG-CG2 3.85Å; Q36-K102 WeakPolarHBondContact CB-O 3.47Å; Q36-K102 PolarHBondContact N-O 3.07Å; Q36-K102 VanDerWaalsContact N-O 3.15Å; Q36-D103 PolarHBondContact NE2-OD2 2.69Å; Q36-D103 VanDerWaalsContact NE2-OD2 3.16Å
37	D	97.5	Very high	96.7	Very high	93 Å²	93	81.4 Å²	81.4	50%	0.497	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	178	-49.6	-29.5	0	0	0	112.7	N35 Y39 P104	N35-D37 VanDerWaalsContact C-N 3.31Å; N35-D37 WeakPolarHBondContact ND2-CB 3.45Å; N35-D37 PolarHBondContact ND2-OD2 2.77Å; N35-D37 PolarHBondContact OD1-N 3.03Å; N35-D37 PolarHBondContact OD1-OD2 3.15Å; D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 VanDerWaalsContact O-N 3.12Å; D37-P104 WeakPolarHBondContact OD1-CD 3.49Å; D37-P104 WeakPolarHBondContact OD1-CG 3.43Å; D37-P104 WeakPolarHBondContact OD2-CG 3.48Å
38	D	98	Very high	96.3	Very high	58 Å²	58	78 Å²	78	31%	0.31	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-67.1	-6.8	174	-56.1	-27.6	0	0	0	112.1	Q36 N58 I59	Q36-D38 PolarHBondContact O-N 3.15Å; Q36-D38 VanDerWaalsContact O-N 3.17Å; D38-N58 WeakPolarHBondContact O-CA 3.37Å; D38-I59 PolarHBondContact O-N 2.98Å
39	Y	98.6	Very high	95.8	Very high	23 Å²	23	82.3 Å²	82.3	9%	0.09	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	103.7	-174.6	-59.7	-82.5	0	0	0	113	Q36 D37 L41 I57 N58 V65 D99 V101 V112	Q36-Y39 PolarHBondContact O-N 2.79Å; D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 VanDerWaalsContact O-N 3.12Å; Y39-L41 PolarHBondContact O-N 3.26Å; Y39-I57 CarbonylContact C-O 3.37Å; Y39-I57 WeakPolarHBondContact CA-O 3.44Å; Y39-N58 HydrophobicContact CD1-CB 3.88Å; Y39-N58 HydrophobicContact CE1-CB 3.7Å; Y39-V65 HydrophobicContact CD1-CG2 3.71Å; Y39-V65 HydrophobicContact CE1-CG2 4.1Å; Y39-D99 WeakPolarHBondContact CE2-OD2 3.48Å; Y39-D99 VanDerWaalsContact OH-CB 3.27Å; Y39-D99 WeakPolarHBondContact OH-CB 3.38Å; Y39-D99 PolarHBondContact OH-OD2 3.38Å; Y39-V101 HydrophobicContact CD2-CG1 4.11Å; Y39-V101 HydrophobicContact CE2-CG1 3.66Å; Y39-V112 HydrophobicContact CD1-CG1 4.11Å; Y39-V112 HydrophobicContact CD2-CG2 4.31Å; Y39-V112 HydrophobicContact CE1-CG1 3.67Å; Y39-V112 HydrophobicContact CE1-CG2 4.34Å; Y39-V112 HydrophobicContact CE2-CG2 4.08Å
40	Q	98	Very high	95.5	Very high	133 Å²	133	85 Å²	85	62%	0.621	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.3	176.1	-171.2	178.2	15	0	0	110.9	V42 A56 I57 I59	Q40-V42 PolarHBondContact O-N 2.91Å; Q40-A56 CarbonylContact O-C 3.54Å; Q40-A56 WeakPolarHBondContact O-CA 3.47Å; Q40-A56 VanDerWaalsContact O-CB 3.32Å; Q40-A56 WeakPolarHBondContact O-CB 3.48Å; Q40-I57 PolarHBondContact N-O 3.43Å; Q40-I57 PolarHBondContact O-N 3.31Å; Q40-I59 HydrophobicContact CB-CG2 4.02Å
41	L	97.9	Very high	95.4	Very high	69 Å²	69	79.4 Å²	79.4	36%	0.361	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.8	175.6	-53.1	-175.1	0	0	0	110.9	Y39 F54 A56 V67 I69	Y39-L41 PolarHBondContact O-N 3.26Å; L41-F54 HydrophobicContact CD1-CD1 4.34Å; L41-F54 HydrophobicContact CD1-CD2 4.5Å; L41-F54 HydrophobicContact CD1-CG 4.3Å; L41-F54 HydrophobicContact CD2-CB 4.13Å; L41-A56 HydrophobicContact CD2-CB 3.92Å; L41-V67 HydrophobicContact CD2-CB 3.96Å; L41-V67 HydrophobicContact CD2-CG1 4.15Å; L41-V67 HydrophobicContact CD2-CG2 4.03Å; L41-I69 HydrophobicContact CD1-CD1 4.16Å
42	V	97.6	Very high	95.4	Very high	84 Å²	84	80.5 Å²	80.5	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-53.4	-178.8	-179.6	0	0	0	0	111.5	Q40 E55 I57	Q40-V42 PolarHBondContact O-N 2.91Å; V42-E55 PolarHBondContact N-O 2.74Å; V42-I57 HydrophobicContact CG2-CD1 4.41Å; V42-I57 HydrophobicContact CG2-CG1 3.79Å
43	R	97.4	Very high	95.5	Very high	138 Å²	138	73.9 Å²	73.9	52%	0.521	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.8	-177.2	62.2	173.6	-175.5	121.8	5.2	112.3	L45 F54 E55	R43-L45 VanDerWaalsContact CZ-CD2 3.47Å; R43-F54 CarbonylContact O-C 3.49Å; R43-F54 VanDerWaalsContact O-CA 3.22Å; R43-F54 WeakPolarHBondContact O-CA 3.41Å; R43-F54 WeakPolarHBondContact O-CB 3.34Å; R43-E55 HydrophobicContact CG-CB 3.9Å; R43-E55 IonicContact CZ-OE2 2.71Å; R43-E55 PolarHBondContact N-O 2.83Å; R43-E55 IonicContact NE-OE2 3.77Å; R43-E55 PolarHBondContact NE-OE2 2.96Å; R43-E55 IonicContact NH2-OE2 3.76Å; R43-E55 PolarHBondContact NH2-OE2 3.17Å; R43-E55 PolarHBondContact O-N 3.44Å
44	K	96.8	Very high	95.5	Very high	99 Å²	99	71.3 Å²	71.3	43%	0.43	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.3	175	-164.8	163.3	-176.4	163.4	0	110.4	E52 F54	K44-E52 IonicContact NZ-OE1 2.85Å; K44-E52 PolarHBondContact NZ-OE1 3.36Å; K44-E52 IonicContact NZ-OE2 2.66Å; K44-E52 PolarHBondContact NZ-OE2 3.26Å; K44-F54 HydrophobicContact CB-CD1 3.84Å; K44-F54 HydrophobicContact CB-CE1 3.77Å; K44-F54 HydrophobicContact CD-CE1 3.86Å; K44-F54 HydrophobicContact CD-CZ 4.02Å; K44-F54 HydrophobicContact CG-CD1 4.06Å; K44-F54 HydrophobicContact CG-CE1 3.76Å; K44-F54 HydrophobicContact CG-CZ 4.16Å
45	L	93.7	Very high	95.5	Very high	76 Å²	76	70.3 Å²	70.3	40%	0.398	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-34.2	176	-62.3	176.5	0	0	0	111.7	R43 V53 E55 V66	R43-L45 VanDerWaalsContact CZ-CD2 3.47Å; L45-V53 HydrophobicContact CB-CG1 4.28Å; L45-V53 HydrophobicContact CD1-CG1 4.36Å; L45-V53 PolarHBondContact N-O 3.48Å; L45-E55 HydrophobicContact CD1-CB 4.12Å; L45-E55 HydrophobicContact CD2-CB 4.17Å; L45-E55 HydrophobicContact CG-CB 4.17Å; L45-V66 HydrophobicContact CD1-CG1 4.2Å; L45-V66 HydrophobicContact CD1-CG2 4.02Å
46	G	91.4	Very high	95.6	Very high	28 Å²	28	67.6 Å²	67.6	29%	0.289	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	175.7	-177.3	0	0	0	0	0	115.7	V53	G46-V53 PolarHBondContact N-O 3.39Å; G46-V53 VanDerWaalsContact N-O 3.1Å; G46-V53 PolarHBondContact O-N 3.43Å
47	R	91.8	Very high	95.6	Very high	195 Å²	195	68.4 Å²	68.4	74%	0.736	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	102.5	179.2	175.6	174.2	170.9	147.2	-8	109.8	E52	R47-E52 VanDerWaalsContact CD-OE1 3.24Å; R47-E52 WeakPolarHBondContact CD-OE1 3.49Å; R47-E52 VanDerWaalsContact CG-OE1 3.27Å; R47-E52 WeakPolarHBondContact CG-OE1 3.37Å; R47-E52 IonicContact NE-OE1 3.41Å; R47-E52 IonicContact NH1-OE1 3.76Å
48	G	87.8	Confident	95.6	Very high	31 Å²	31	64.8 Å²	64.8	32%	0.32	31%	0.311	S	S	.	.			trans	-82	175.3	173.3	0	0	0	0	0	112.9	Y50 S51 K71	G48-Y50 VanDerWaalsContact C-N 3.33Å; G48-S51 CarbonylContact C-O 3.51Å; G48-S51 PolarHBondContact N-O 2.71Å; G48-S51 VanDerWaalsContact O-O 3.07Å; G48-K71 PolarHBondContact O-NZ 2.85Å
49	K	87.2	Confident	95.6	Very high	167 Å²	167	66.3 Å²	66.3	73%	0.726	32%	0.318	S	S	*	.	S	Bend	trans	-63.6	-39.7	170.9	-176.1	177.7	177.7	-168.3	0	111.8
50	Y	91.4	Very high	95.5	Very high	85 Å²	85	70 Å²	70	33%	0.333	34%	0.344	S	S	.	.	S	Bend	trans	-110	-1.6	-173.9	-57.8	-67.6	0	0	0	114.4	G48 K71 V73	G48-Y50 VanDerWaalsContact C-N 3.33Å; Y50-K71 WeakPolarHBondContact O-CB 3.28Å; Y50-K71 PolarHBondContact O-N 2.71Å; Y50-V73 HydrophobicContact CD1-CG1 3.76Å
51	S	95	Very high	95.5	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.035	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	168.6	-175.5	58.5	0	0	0	0	112.9	G48 I69 K71	G48-S51 CarbonylContact C-O 3.51Å; G48-S51 PolarHBondContact N-O 2.71Å; G48-S51 VanDerWaalsContact O-O 3.07Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.29Å; S51-I69 WeakPolarHBondContact CB-O 3.47Å; S51-K71 WeakPolarHBondContact O-CE 3.14Å; S51-K71 PolarHBondContact O-NZ 3.05Å
52	E	97	Very high	95.4	Very high	41 Å²	41	70 Å²	70	19%	0.192	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.8	156.7	-53.1	-144.5	115.6	0	0	108.5	K44 R47 F54 K68 I69 K71	K44-E52 IonicContact NZ-OE1 2.85Å; K44-E52 PolarHBondContact NZ-OE1 3.36Å; K44-E52 IonicContact NZ-OE2 2.66Å; K44-E52 PolarHBondContact NZ-OE2 3.26Å; R47-E52 VanDerWaalsContact CD-OE1 3.24Å; R47-E52 WeakPolarHBondContact CD-OE1 3.49Å; R47-E52 VanDerWaalsContact CG-OE1 3.27Å; R47-E52 WeakPolarHBondContact CG-OE1 3.37Å; R47-E52 IonicContact NE-OE1 3.41Å; R47-E52 IonicContact NH1-OE1 3.76Å; E52-F54 HydrophobicContact CB-CE2 3.72Å; E52-F54 HydrophobicContact CB-CZ 4.25Å; E52-K68 CarbonylContact O-C 3.54Å; E52-K68 WeakPolarHBondContact O-CA 3.43Å; E52-I69 PolarHBondContact N-O 2.92Å; E52-I69 PolarHBondContact O-N 3.4Å; E52-K71 VanDerWaalsContact CG-CE 3.41Å; E52-K71 IonicContact OE1-NZ 3.54Å
53	V	97.5	Very high	95.5	Very high	35 Å²	35	71.5 Å²	71.5	21%	0.212	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.6	-168.7	-172.8	0	0	0	0	110	L45 G46 V66 V67 K68	L45-V53 HydrophobicContact CB-CG1 4.28Å; L45-V53 HydrophobicContact CD1-CG1 4.36Å; L45-V53 PolarHBondContact N-O 3.48Å; G46-V53 PolarHBondContact N-O 3.39Å; G46-V53 VanDerWaalsContact N-O 3.1Å; G46-V53 PolarHBondContact O-N 3.43Å; V53-V66 HydrophobicContact CG1-CG1 3.5Å; V53-V67 WeakPolarHBondContact CA-O 3.28Å; V53-K68 HydrophobicContact CG2-CG 4.27Å
54	F	98.2	Very high	95.5	Very high	31 Å²	31	70 Å²	70	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.8	-174.1	-59.6	-98.4	0	0	0	111.2	L41 R43 K44 E52 V66 V67 I69	L41-F54 HydrophobicContact CD1-CD1 4.34Å; L41-F54 HydrophobicContact CD1-CD2 4.5Å; L41-F54 HydrophobicContact CD1-CG 4.3Å; L41-F54 HydrophobicContact CD2-CB 4.13Å; R43-F54 CarbonylContact O-C 3.49Å; R43-F54 VanDerWaalsContact O-CA 3.22Å; R43-F54 WeakPolarHBondContact O-CA 3.41Å; R43-F54 WeakPolarHBondContact O-CB 3.34Å; K44-F54 HydrophobicContact CB-CD1 3.84Å; K44-F54 HydrophobicContact CB-CE1 3.77Å; K44-F54 HydrophobicContact CD-CE1 3.86Å; K44-F54 HydrophobicContact CD-CZ 4.02Å; K44-F54 HydrophobicContact CG-CD1 4.06Å; K44-F54 HydrophobicContact CG-CE1 3.76Å; K44-F54 HydrophobicContact CG-CZ 4.16Å; E52-F54 HydrophobicContact CB-CE2 3.72Å; E52-F54 HydrophobicContact CB-CZ 4.25Å; F54-V66 CarbonylContact O-C 3.58Å; F54-V66 WeakPolarHBondContact O-CA 3.2Å; F54-V67 PolarHBondContact N-O 3.03Å; F54-V67 PolarHBondContact O-N 3.42Å; F54-I69 HydrophobicContact CD2-CD1 4.02Å; F54-I69 HydrophobicContact CD2-CG1 4.19Å; F54-I69 HydrophobicContact CE2-CD1 3.67Å; F54-I69 HydrophobicContact CE2-CG1 4.11Å; F54-I69 HydrophobicContact CZ-CD1 4.47Å
55	E	98.1	Very high	95.6	Very high	9 Å²	9	65.7 Å²	65.7	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.3	159.1	-179.3	-179.4	148.8	0	0	107.6	V42 R43 L45 K64	V42-E55 PolarHBondContact N-O 2.74Å; R43-E55 HydrophobicContact CG-CB 3.9Å; R43-E55 IonicContact CZ-OE2 2.71Å; R43-E55 PolarHBondContact N-O 2.83Å; R43-E55 IonicContact NE-OE2 3.77Å; R43-E55 PolarHBondContact NE-OE2 2.96Å; R43-E55 IonicContact NH2-OE2 3.76Å; R43-E55 PolarHBondContact NH2-OE2 3.17Å; R43-E55 PolarHBondContact O-N 3.44Å; L45-E55 HydrophobicContact CD1-CB 4.12Å; L45-E55 HydrophobicContact CD2-CB 4.17Å; L45-E55 HydrophobicContact CG-CB 4.17Å; E55-K64 IonicContact OE1-NZ 2.69Å; E55-K64 PolarHBondContact OE1-NZ 2.8Å
56	A	98.6	Very high	95.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.7	179.4	0	0	0	0	0	111.2	Q40 L41 V65 V67	Q40-A56 CarbonylContact O-C 3.54Å; Q40-A56 WeakPolarHBondContact O-CA 3.47Å; Q40-A56 VanDerWaalsContact O-CB 3.32Å; Q40-A56 WeakPolarHBondContact O-CB 3.48Å; L41-A56 HydrophobicContact CD2-CB 3.92Å; A56-V65 HydrophobicContact CB-CG2 4Å; A56-V65 PolarHBondContact N-O 2.98Å; A56-V65 PolarHBondContact O-N 3.1Å; A56-V67 HydrophobicContact CB-CG2 3.62Å
57	I	98.5	Very high	96.1	Very high	37 Å²	37	61.9 Å²	61.9	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.2	168.7	-54.9	-59.2	0	0	0	108.6	Y39 Q40 V42 I59 N62 E63 K64	Y39-I57 CarbonylContact C-O 3.37Å; Y39-I57 WeakPolarHBondContact CA-O 3.44Å; Q40-I57 PolarHBondContact N-O 3.43Å; Q40-I57 PolarHBondContact O-N 3.31Å; V42-I57 HydrophobicContact CG2-CD1 4.41Å; V42-I57 HydrophobicContact CG2-CG1 3.79Å; I57-I59 PolarHBondContact O-N 2.89Å; I57-N62 HydrophobicContact CG2-CB 4.5Å; I57-E63 WeakPolarHBondContact CA-O 3.45Å; I57-K64 HydrophobicContact CD1-CG 3.74Å
58	N	98.3	Very high	96.4	Very high	16 Å²	16	53.3 Å²	53.3	9%	0.086	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	115.7	164.5	176.9	-9.3	0	0	0	108.6	D38 Y39 T60 N61 N62 E63	D38-N58 WeakPolarHBondContact O-CA 3.37Å; Y39-N58 HydrophobicContact CD1-CB 3.88Å; Y39-N58 HydrophobicContact CE1-CB 3.7Å; N58-T60 PolarHBondContact ND2-OG1 3.37Å; N58-T60 PolarHBondContact O-N 2.9Å; N58-T60 WeakPolarHBondContact OD1-CB 3.14Å; N58-T60 PolarHBondContact OD1-N 3.11Å; N58-T60 PolarHBondContact OD1-OG1 3.21Å; N58-N61 WeakPolarHBondContact CB-OD1 3.43Å; N58-N61 VanDerWaalsContact CG-OD1 3.29Å; N58-N61 PolarHBondContact ND2-OD1 2.89Å; N58-N61 PolarHBondContact O-N 3Å; N58-N62 VanDerWaalsContact O-CA 3.26Å; N58-N62 WeakPolarHBondContact O-CA 3.01Å; N58-N62 PolarHBondContact O-N 3.47Å; N58-E63 PolarHBondContact N-O 2.92Å
59	I	97.4	Very high	96.9	Very high	90 Å²	90	53.6 Å²	53.6	46%	0.462	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.1	-173	74.1	-179.1	0	0	0	112.9	D38 Q40 I57	D38-I59 PolarHBondContact O-N 2.98Å; Q40-I59 HydrophobicContact CB-CG2 4.02Å; I57-I59 PolarHBondContact O-N 2.89Å
60	T	96.7	Very high	97.4	Very high	102 Å²	102	46 Å²	46	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.1	-178.1	69	0	0	0	0	113	N58	N58-T60 PolarHBondContact ND2-OG1 3.37Å; N58-T60 PolarHBondContact O-N 2.9Å; N58-T60 WeakPolarHBondContact OD1-CB 3.14Å; N58-T60 PolarHBondContact OD1-N 3.11Å; N58-T60 PolarHBondContact OD1-OG1 3.21Å
61	N	97.4	Very high	97.5	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-1.4	-174.9	70.5	1.8	0	0	0	114.8	N58 E63	N58-N61 WeakPolarHBondContact CB-OD1 3.43Å; N58-N61 VanDerWaalsContact CG-OD1 3.29Å; N58-N61 PolarHBondContact ND2-OD1 2.89Å; N58-N61 PolarHBondContact O-N 3Å; N61-E63 WeakPolarHBondContact ND2-CG 3.49Å; N61-E63 PolarHBondContact ND2-OE2 3.17Å; N61-E63 PolarHBondContact O-N 3.04Å; N61-E63 WeakPolarHBondContact OD1-CB 3.45Å; N61-E63 PolarHBondContact OD1-N 2.82Å
62	N	96.8	Very high	97.5	Very high	129 Å²	129	50.8 Å²	50.8	69%	0.69	27%	0.269	S	S	*	.			trans	62.4	16.6	-175.2	-61.4	-79.3	0	0	0	115.9	I57 N58	I57-N62 HydrophobicContact CG2-CB 4.5Å; N58-N62 VanDerWaalsContact O-CA 3.26Å; N58-N62 WeakPolarHBondContact O-CA 3.01Å; N58-N62 PolarHBondContact O-N 3.47Å
63	E	97.6	Very high	97.3	Very high	116 Å²	116	50.8 Å²	50.8	54%	0.542	27%	0.271	S	S	.	.			trans	-71.5	140.8	175.4	-70.6	-177.8	147.1	0	0	112	I57 N58 N61	I57-E63 WeakPolarHBondContact CA-O 3.45Å; N58-E63 PolarHBondContact N-O 2.92Å; N61-E63 WeakPolarHBondContact ND2-CG 3.49Å; N61-E63 PolarHBondContact ND2-OE2 3.17Å; N61-E63 PolarHBondContact O-N 3.04Å; N61-E63 WeakPolarHBondContact OD1-CB 3.45Å; N61-E63 PolarHBondContact OD1-N 2.82Å
64	K	97.9	Very high	97.1	Very high	108 Å²	108	57.5 Å²	57.5	47%	0.47	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.3	167.5	-72.2	-164.9	171.4	-147.8	0	110.1	E55 I57 H115	E55-K64 IonicContact OE1-NZ 2.69Å; E55-K64 PolarHBondContact OE1-NZ 2.8Å; I57-K64 HydrophobicContact CD1-CG 3.74Å; K64-H115 HydrophobicContact CB-CB 3.8Å; K64-H115 WeakPolarHBondContact O-CB 3.45Å
65	V	98.6	Very high	96.9	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166.8	176.2	-60.5	0	0	0	0	111.2	Y39 A56 V67 V112 F113	Y39-V65 HydrophobicContact CD1-CG2 3.71Å; Y39-V65 HydrophobicContact CE1-CG2 4.1Å; A56-V65 HydrophobicContact CB-CG2 4Å; A56-V65 PolarHBondContact N-O 2.98Å; A56-V65 PolarHBondContact O-N 3.1Å; V65-V67 HydrophobicContact CG2-CG2 4.29Å; V65-V112 HydrophobicContact CB-CG1 3.72Å; V65-V112 HydrophobicContact CG1-CG1 4.1Å; V65-V112 HydrophobicContact CG2-CG1 3.71Å; V65-F113 WeakPolarHBondContact CA-O 3.45Å; V65-F113 WeakPolarHBondContact CB-O 3.33Å
66	V	98.5	Very high	96.8	Very high	24 Å²	24	68.3 Å²	68.3	15%	0.145	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.7	172.8	173.6	0	0	0	0	109.9	L45 V53 F54 F113	L45-V66 HydrophobicContact CD1-CG1 4.2Å; L45-V66 HydrophobicContact CD1-CG2 4.02Å; V53-V66 HydrophobicContact CG1-CG1 3.5Å; F54-V66 CarbonylContact O-C 3.58Å; F54-V66 WeakPolarHBondContact O-CA 3.2Å; V66-F113 HydrophobicContact CB-CB 4.41Å; V66-F113 PolarHBondContact N-O 3.33Å; V66-F113 PolarHBondContact O-N 2.88Å
67	V	98.5	Very high	96.7	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.6	-179.8	-178.9	0	0	0	0	110	L41 V53 F54 A56 V65 I69 A110 V112	L41-V67 HydrophobicContact CD2-CB 3.96Å; L41-V67 HydrophobicContact CD2-CG1 4.15Å; L41-V67 HydrophobicContact CD2-CG2 4.03Å; V53-V67 WeakPolarHBondContact CA-O 3.28Å; F54-V67 PolarHBondContact N-O 3.03Å; F54-V67 PolarHBondContact O-N 3.42Å; A56-V67 HydrophobicContact CB-CG2 3.62Å; V65-V67 HydrophobicContact CG2-CG2 4.29Å; V67-I69 HydrophobicContact CG1-CG1 4.05Å; V67-A110 HydrophobicContact CG1-CB 3.89Å; V67-V112 HydrophobicContact CG2-CG2 4.42Å
68	K	98.3	Very high	96.6	Very high	15 Å²	15	69.2 Å²	69.2	7%	0.065	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	92.2	175.4	-174.7	-174.1	-171.6	-179.9	0	109.3	E52 V53 L70 E81 A110 L111 F113 D175	E52-K68 CarbonylContact O-C 3.54Å; E52-K68 WeakPolarHBondContact O-CA 3.43Å; V53-K68 HydrophobicContact CG2-CG 4.27Å; K68-L70 HydrophobicContact CD-CD2 4.18Å; K68-L70 HydrophobicContact CG-CD2 4.11Å; K68-L70 PolarHBondContact O-N 3.04Å; K68-E81 IonicContact NZ-OE1 3.12Å; K68-E81 PolarHBondContact NZ-OE1 2.67Å; K68-A110 WeakPolarHBondContact O-CA 3.13Å; K68-L111 HydrophobicContact CB-CB 4.43Å; K68-L111 PolarHBondContact N-O 3.4Å; K68-L111 PolarHBondContact O-N 3.14Å; K68-F113 HydrophobicContact CB-CD2 4.34Å; K68-F113 HydrophobicContact CB-CE2 3.8Å; K68-F113 HydrophobicContact CD-CE2 3.96Å; K68-F113 HydrophobicContact CD-CZ 4.43Å; K68-D175 IonicContact NZ-OD1 2.7Å; K68-D175 PolarHBondContact NZ-OD1 2.89Å
69	I	98.1	Very high	96.6	Very high	37 Å²	37	71.1 Å²	71.1	19%	0.19	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.2	174.6	-53.7	-175.8	0	0	0	108.4	L41 S51 E52 F54 V67 T108 A110	L41-I69 HydrophobicContact CD1-CD1 4.16Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.29Å; S51-I69 WeakPolarHBondContact CB-O 3.47Å; E52-I69 PolarHBondContact N-O 2.92Å; E52-I69 PolarHBondContact O-N 3.4Å; F54-I69 HydrophobicContact CD2-CD1 4.02Å; F54-I69 HydrophobicContact CD2-CG1 4.19Å; F54-I69 HydrophobicContact CE2-CD1 3.67Å; F54-I69 HydrophobicContact CE2-CG1 4.11Å; F54-I69 HydrophobicContact CZ-CD1 4.47Å; V67-I69 HydrophobicContact CG1-CG1 4.05Å; I69-T108 HydrophobicContact CG2-CG2 3.63Å; I69-A110 HydrophobicContact CB-CB 4.47Å; I69-A110 HydrophobicContact CG1-CB 4.19Å
70	L	96.9	Very high	96.6	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.8	-176.8	-55.7	179.8	0	0	0	110.5	K68 I78 P109 L111	K68-L70 HydrophobicContact CD-CD2 4.18Å; K68-L70 HydrophobicContact CG-CD2 4.11Å; K68-L70 PolarHBondContact O-N 3.04Å; L70-I78 HydrophobicContact CD1-CB 4.44Å; L70-I78 HydrophobicContact CD1-CD1 4.35Å; L70-I78 HydrophobicContact CD1-CG1 4.17Å; L70-I78 HydrophobicContact CD1-CG2 3.68Å; L70-P109 HydrophobicContact CB-CG 4.32Å; L70-P109 WeakPolarHBondContact CB-O 3.49Å; L70-P109 HydrophobicContact CD1-CG 4.49Å; L70-P109 PolarHBondContact N-O 2.96Å; L70-L111 HydrophobicContact CD1-CD1 4.34Å; L70-L111 HydrophobicContact CD1-CG 4.14Å; L70-L111 HydrophobicContact CD2-CD1 4.41Å; L70-L111 HydrophobicContact CD2-CG 4.5Å; L70-L111 HydrophobicContact CG-CG 4.47Å
71	K	94.6	Very high	96.7	Very high	52 Å²	52	63.6 Å²	63.6	23%	0.226	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.2	159.4	174.2	-70.3	170.2	173.5	148	0	110.3	G48 Y50 S51 E52 V73	G48-K71 PolarHBondContact O-NZ 2.85Å; Y50-K71 WeakPolarHBondContact O-CB 3.28Å; Y50-K71 PolarHBondContact O-N 2.71Å; S51-K71 WeakPolarHBondContact O-CE 3.14Å; S51-K71 PolarHBondContact O-NZ 3.05Å; E52-K71 VanDerWaalsContact CG-CE 3.41Å; E52-K71 IonicContact OE1-NZ 3.54Å; K71-V73 PolarHBondContact O-N 3.08Å
72	P	94.1	Very high	96.8	Very high	139 Å²	139	60.2 Å²	60.2	90%	0.903	29%	0.292	S	S	*	.	S	Bend	trans	-51.4	109.6	178.1	-29.9	36.8	0	0	0	113.3
73	V	92.6	Very high	96.9	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.248	27%	0.265	C	S	.	.			trans	-140.2	163.8	177.4	-65.3	0	0	0	0	110.4	Y50 K71 K75 K77 I78	Y50-V73 HydrophobicContact CD1-CG1 3.76Å; K71-V73 PolarHBondContact O-N 3.08Å; V73-K75 PolarHBondContact O-N 3.07Å; V73-K77 HydrophobicContact CB-CD 4.38Å; V73-K77 HydrophobicContact CG2-CD 4.38Å; V73-I78 HydrophobicContact CG2-CD1 3.87Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å
74	K	93.6	Very high	96.9	Very high	176 Å²	176	49.9 Å²	49.9	77%	0.765	24%	0.239	S	C	*	.			trans	-57	131.1	177.3	-66.1	-171.7	176.8	-172.3	0	110.8	K76 K77	K74-K76 PolarHBondContact O-N 3.36Å; K74-K76 VanDerWaalsContact O-N 3.07Å; K74-K77 WeakPolarHBondContact O-CB 3.33Å; K74-K77 PolarHBondContact O-N 3.38Å
75	K	94.2	Very high	97	Very high	179 Å²	179	44.8 Å²	44.8	78%	0.778	22%	0.217	S	C	*	.	H	α-helix	trans	-49.1	-37.9	178.4	-66.3	-177.9	-179.4	177	0	113.2	V73 K77 I78 K79	V73-K75 PolarHBondContact O-N 3.07Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.33Å; K75-I78 PolarHBondContact O-N 2.88Å; K75-K79 PolarHBondContact O-N 2.98Å
76	K	95.5	Very high	96.9	Very high	88 Å²	88	47.1 Å²	47.1	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-48.6	-45.1	172.8	-178.8	175.2	-173.2	156.2	0	113.2	Y26 E27 K74 R80	Y26-K76 HydrophobicContact CD2-CG 4.41Å; Y26-K76 HydrophobicContact CE2-CD 4.25Å; Y26-K76 HydrophobicContact CE2-CG 3.62Å; Y26-K76 WeakPolarHBondContact OH-CE 3.18Å; E27-K76 VanDerWaalsContact CD-CD 3.5Å; E27-K76 VanDerWaalsContact CD-NZ 3.32Å; E27-K76 HydrophobicContact CG-CD 4.22Å; E27-K76 HydrophobicContact CG-CG 4.14Å; E27-K76 WeakPolarHBondContact OE1-CE 3.28Å; E27-K76 IonicContact OE1-NZ 3.01Å; E27-K76 PolarHBondContact OE1-NZ 2.94Å; E27-K76 WeakPolarHBondContact OE2-CD 3.42Å; E27-K76 WeakPolarHBondContact OE2-CG 3.46Å; E27-K76 IonicContact OE2-NZ 3.99Å; K74-K76 PolarHBondContact O-N 3.36Å; K74-K76 VanDerWaalsContact O-N 3.07Å; K76-R80 WeakPolarHBondContact O-CB 3.48Å; K76-R80 PolarHBondContact O-N 2.91Å; K76-R80 VanDerWaalsContact O-N 3.11Å
77	K	96	Very high	97	Very high	35 Å²	35	46.9 Å²	46.9	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-38.5	179.1	176.5	178.4	159.1	63.9	0	111.9	V73 K74 K75 R80 E81 G177	V73-K77 HydrophobicContact CB-CD 4.38Å; V73-K77 HydrophobicContact CG2-CD 4.38Å; K74-K77 WeakPolarHBondContact O-CB 3.33Å; K74-K77 PolarHBondContact O-N 3.38Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.33Å; K77-R80 PolarHBondContact O-N 3.1Å; K77-E81 PolarHBondContact O-N 2.94Å; K77-G177 VanDerWaalsContact NZ-C 3.32Å; K77-G177 PolarHBondContact NZ-O 3.42Å
78	I	96.8	Very high	97	Very high	20 Å²	20	46.9 Å²	46.9	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-50.1	-179.9	-54.6	-177.9	0	0	0	110.1	W33 L70 V73 K75 R80 E81 I82 P109	W33-I78 HydrophobicContact CH2-CG2 4.13Å; L70-I78 HydrophobicContact CD1-CB 4.44Å; L70-I78 HydrophobicContact CD1-CD1 4.35Å; L70-I78 HydrophobicContact CD1-CG1 4.17Å; L70-I78 HydrophobicContact CD1-CG2 3.68Å; V73-I78 HydrophobicContact CG2-CD1 3.87Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å; K75-I78 PolarHBondContact O-N 2.88Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 PolarHBondContact O-N 3.16Å; I78-E81 PolarHBondContact O-N 3.41Å; I78-I82 HydrophobicContact CG2-CD1 3.83Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 3.31Å; I78-P109 HydrophobicContact CD1-CG 3.83Å
79	K	98.2	Very high	97	Very high	57 Å²	57	51.8 Å²	51.8	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-39.1	175.6	-68.7	-165.9	174.6	-163.2	0	112.1	Y26 E27 H29 V31 K75 K83	Y26-K79 WeakPolarHBondContact O-CB 3.25Å; Y26-K79 WeakPolarHBondContact O-CD 3.39Å; E27-K79 PolarHBondContact O-NZ 2.61Å; H29-K79 VanDerWaalsContact O-CD 3.3Å; H29-K79 WeakPolarHBondContact O-CD 3.44Å; H29-K79 WeakPolarHBondContact O-CE 3.48Å; H29-K79 PolarHBondContact O-NZ 3.49Å; V31-K79 HydrophobicContact CG2-CG 4.28Å; K75-K79 PolarHBondContact O-N 2.98Å; K79-K83 VanDerWaalsContact O-CB 3.24Å; K79-K83 WeakPolarHBondContact O-CB 3.36Å; K79-K83 PolarHBondContact O-N 2.73Å
80	R	98.5	Very high	97	Very high	27 Å²	27	53.3 Å²	53.3	10%	0.102	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-49.2	176.6	-168.9	175.9	72.4	-163.3	16.8	113	Y26 K76 K77 I78 I82 K83 I84 A179 E180	Y26-R80 HydrophobicContact CD1-CB 4.21Å; Y26-R80 HydrophobicContact CD1-CG 3.77Å; Y26-R80 HydrophobicContact CD2-CB 3.49Å; Y26-R80 VanDerWaalsContact CD2-CB 3.49Å; Y26-R80 HydrophobicContact CD2-CG 3.98Å; Y26-R80 HydrophobicContact CE1-CB 4.32Å; Y26-R80 HydrophobicContact CE1-CG 3.73Å; Y26-R80 HydrophobicContact CE2-CB 3.61Å; Y26-R80 HydrophobicContact CE2-CG 3.94Å; Y26-R80 HydrophobicContact CG-CB 3.8Å; Y26-R80 HydrophobicContact CG-CG 3.88Å; Y26-R80 VanDerWaalsContact CZ-CD 3.45Å; K76-R80 WeakPolarHBondContact O-CB 3.48Å; K76-R80 PolarHBondContact O-N 2.91Å; K76-R80 VanDerWaalsContact O-N 3.11Å; K77-R80 PolarHBondContact O-N 3.1Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 PolarHBondContact O-N 3.16Å; R80-I82 VanDerWaalsContact C-N 3.32Å; R80-I82 PolarHBondContact O-N 2.71Å; R80-K83 PolarHBondContact O-N 2.97Å; R80-I84 HydrophobicContact CG-CD1 3.8Å; R80-I84 HydrophobicContact CG-CG1 4.4Å; R80-I84 WeakPolarHBondContact O-CB 3.23Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.01Å; R80-A179 PolarHBondContact NE-O 3.45Å; R80-A179 PolarHBondContact NH2-O 2.98Å; R80-E180 WeakPolarHBondContact CD-OE1 3.4Å; R80-E180 IonicContact CZ-OE1 2.87Å; R80-E180 IonicContact CZ-OE2 3.85Å; R80-E180 VanDerWaalsContact CZ-OE2 3.26Å; R80-E180 IonicContact NE-OE1 3.16Å; R80-E180 IonicContact NH1-OE1 3.21Å; R80-E180 PolarHBondContact NH1-OE1 3.29Å; R80-E180 IonicContact NH1-OE2 2.64Å; R80-E180 PolarHBondContact NH1-OE2 2.87Å; R80-E180 IonicContact NH2-OE2 2.65Å
81	E	98.3	Very high	97	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-44.5	-179	-173.3	171	158.5	0	0	110.7	K68 K77 I78 L85 L111 G177	K68-E81 IonicContact NZ-OE1 3.12Å; K68-E81 PolarHBondContact NZ-OE1 2.67Å; K77-E81 PolarHBondContact O-N 2.94Å; I78-E81 PolarHBondContact O-N 3.41Å; E81-L85 HydrophobicContact CG-CD1 4.12Å; E81-L85 WeakPolarHBondContact O-CB 3.5Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.22Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.26Å; E81-L85 VanDerWaalsContact O-N 3.07Å; E81-L111 HydrophobicContact CG-CD1 4.06Å; E81-G177 WeakPolarHBondContact OE2-CA 3.42Å
82	I	98.6	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-55.7	171.1	-69.8	163.2	0	0	0	110.9	H29 V31 W33 I78 R80 I84 L85 E86 I100 L111	H29-I82 WeakPolarHBondContact NE2-CG2 3.38Å; V31-I82 HydrophobicContact CB-CD1 4.48Å; V31-I82 HydrophobicContact CG1-CD1 3.84Å; V31-I82 HydrophobicContact CG2-CD1 3.75Å; V31-I82 HydrophobicContact CG2-CG2 4.33Å; W33-I82 HydrophobicContact CH2-CD1 4.08Å; I78-I82 HydrophobicContact CG2-CD1 3.83Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 3.31Å; R80-I82 VanDerWaalsContact C-N 3.32Å; R80-I82 PolarHBondContact O-N 2.71Å; I82-I84 VanDerWaalsContact C-N 3.28Å; I82-I84 PolarHBondContact O-N 2.86Å; I82-L85 CarbonylContact O-C 3.56Å; I82-L85 WeakPolarHBondContact O-CA 3.34Å; I82-L85 WeakPolarHBondContact O-CB 3.41Å; I82-L85 PolarHBondContact O-N 2.78Å; I82-E86 HydrophobicContact CG2-CG 4.21Å; I82-E86 WeakPolarHBondContact O-CG 3.49Å; I82-E86 PolarHBondContact O-N 3.5Å; I82-I100 HydrophobicContact CD1-CG2 3.79Å; I82-I100 HydrophobicContact CG1-CD1 4.39Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.34Å; I82-I100 HydrophobicContact CG2-CD1 3.55Å; I82-I100 HydrophobicContact CG2-CG1 4.47Å; I82-L111 HydrophobicContact CD1-CD2 4.13Å; I82-L111 HydrophobicContact CG1-CD2 3.62Å
83	K	98.7	Very high	97.4	Very high	28 Å²	28	48.2 Å²	48.2	12%	0.122	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-32.9	-171.7	-172.2	50.5	177.4	155.2	0	113.1	E22 Y23 K79 R80 E86 N87 F181	E22-K83 WeakPolarHBondContact O-CE 3.01Å; Y23-K83 WeakPolarHBondContact O-CE 3.46Å; K79-K83 VanDerWaalsContact O-CB 3.24Å; K79-K83 WeakPolarHBondContact O-CB 3.36Å; K79-K83 PolarHBondContact O-N 2.73Å; R80-K83 PolarHBondContact O-N 2.97Å; K83-E86 WeakPolarHBondContact CD-OE2 3.27Å; K83-E86 IonicContact NZ-OE2 3.65Å; K83-E86 PolarHBondContact NZ-OE2 3.47Å; K83-N87 VanDerWaalsContact CE-OD1 3.29Å; K83-N87 WeakPolarHBondContact CE-OD1 3.24Å; K83-N87 PolarHBondContact NZ-OD1 3.48Å; K83-N87 WeakPolarHBondContact O-CB 3.3Å; K83-N87 PolarHBondContact O-N 2.94Å; K83-N87 VanDerWaalsContact O-N 3.07Å; K83-N87 PolarHBondContact O-ND2 3.39Å; K83-N87 PolarHBondContact O-OD1 3.34Å; K83-F181 HydrophobicContact CG-CZ 4.26Å
84	I	98.9	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-45.7	171.5	-75.5	176.7	0	0	0	110.9	R80 I82 E86 N87 L88 I152 W176 A179 F181	R80-I84 HydrophobicContact CG-CD1 3.8Å; R80-I84 HydrophobicContact CG-CG1 4.4Å; R80-I84 WeakPolarHBondContact O-CB 3.23Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.01Å; I82-I84 VanDerWaalsContact C-N 3.28Å; I82-I84 PolarHBondContact O-N 2.86Å; I84-E86 PolarHBondContact O-N 3.1Å; I84-N87 PolarHBondContact O-N 2.98Å; I84-L88 HydrophobicContact CG2-CD1 3.83Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 3.03Å; I84-I152 HydrophobicContact CB-CD1 4.47Å; I84-I152 HydrophobicContact CD1-CG2 4.11Å; I84-I152 HydrophobicContact CG1-CD1 4.16Å; I84-I152 HydrophobicContact CG1-CG1 4.31Å; I84-I152 HydrophobicContact CG1-CG2 4.34Å; I84-I152 HydrophobicContact CG2-CD1 4.24Å; I84-I152 HydrophobicContact CG2-CG2 3.91Å; I84-W176 HydrophobicContact CG2-CB 4.13Å; I84-W176 HydrophobicContact CG2-CD2 4.25Å; I84-W176 HydrophobicContact CG2-CE3 3.69Å; I84-W176 HydrophobicContact CG2-CG 4.44Å; I84-A179 HydrophobicContact CD1-CB 3.67Å; I84-A179 HydrophobicContact CG2-CB 4.13Å; I84-F181 HydrophobicContact CD1-CD2 4.43Å; I84-F181 HydrophobicContact CD1-CE2 4.19Å; I84-F181 HydrophobicContact CG1-CD2 4.27Å; I84-F181 HydrophobicContact CG1-CE2 3.59Å; I84-F181 HydrophobicContact CG1-CZ 3.74Å
85	L	98.7	Very high	98	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-35.8	177.9	-75.1	166.4	0	0	0	113.1	E81 I82 R89 I95 L97 L111 F113 W176	E81-L85 HydrophobicContact CG-CD1 4.12Å; E81-L85 WeakPolarHBondContact O-CB 3.5Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.22Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.26Å; E81-L85 VanDerWaalsContact O-N 3.07Å; I82-L85 CarbonylContact O-C 3.56Å; I82-L85 WeakPolarHBondContact O-CA 3.34Å; I82-L85 WeakPolarHBondContact O-CB 3.41Å; I82-L85 PolarHBondContact O-N 2.78Å; L85-R89 PolarHBondContact O-N 3.07Å; L85-R89 VanDerWaalsContact O-N 3.11Å; L85-I95 HydrophobicContact CD2-CG2 3.99Å; L85-L97 HydrophobicContact CB-CB 3.88Å; L85-L97 HydrophobicContact CB-CD2 3.68Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CB 4.35Å; L85-L97 HydrophobicContact CD1-CD1 4.35Å; L85-L97 HydrophobicContact CD1-CD2 4.23Å; L85-L97 HydrophobicContact CG-CB 4.5Å; L85-L111 HydrophobicContact CD1-CD1 4.05Å; L85-F113 HydrophobicContact CD1-CE1 3.65Å; L85-F113 HydrophobicContact CD1-CZ 3.73Å; L85-F113 HydrophobicContact CD2-CE1 3.91Å; L85-F113 HydrophobicContact CG-CE1 4.42Å; L85-W176 HydrophobicContact CD2-CB 4.14Å; L85-W176 HydrophobicContact CD2-CG 3.88Å; L85-W176 HydrophobicContact CG-CB 4.24Å; L85-W176 HydrophobicContact CG-CG 4.46Å
86	E	98.5	Very high	98.2	Very high	57 Å²	57	32.1 Å²	32.1	27%	0.266	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-53.3	170.6	-73.1	-179.4	170.4	0	0	111.5	H29 I82 K83 I84 L88 R89	H29-E86 IonicContact CE1-OE1 2.88Å; H29-E86 PolarHBondContact CE1-OE1 2.88Å; H29-E86 IonicContact CE1-OE2 3.17Å; H29-E86 PolarHBondContact CE1-OE2 3.35Å; H29-E86 VanDerWaalsContact CE1-OE2 3.31Å; H29-E86 IonicContact ND1-OE2 2.65Å; H29-E86 IonicContact NE2-OE1 3.69Å; I82-E86 HydrophobicContact CG2-CG 4.21Å; I82-E86 WeakPolarHBondContact O-CG 3.49Å; I82-E86 PolarHBondContact O-N 3.5Å; K83-E86 WeakPolarHBondContact CD-OE2 3.27Å; K83-E86 IonicContact NZ-OE2 3.65Å; K83-E86 PolarHBondContact NZ-OE2 3.47Å; I84-E86 PolarHBondContact O-N 3.1Å; E86-L88 PolarHBondContact O-N 3.4Å; E86-R89 VanDerWaalsContact O-CB 3.3Å; E86-R89 WeakPolarHBondContact O-CB 3.29Å; E86-R89 PolarHBondContact O-N 2.91Å
87	N	98.7	Very high	98.3	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-25.9	-176	-71.3	-4.3	0	0	0	112.6	Y23 K83 I84 M150 I152 F181	Y23-N87 HydrophobicContact CE2-CB 3.91Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.13Å; Y23-N87 PolarHBondContact O-ND2 3.45Å; K83-N87 VanDerWaalsContact CE-OD1 3.29Å; K83-N87 WeakPolarHBondContact CE-OD1 3.24Å; K83-N87 PolarHBondContact NZ-OD1 3.48Å; K83-N87 WeakPolarHBondContact O-CB 3.3Å; K83-N87 PolarHBondContact O-N 2.94Å; K83-N87 VanDerWaalsContact O-N 3.07Å; K83-N87 PolarHBondContact O-ND2 3.39Å; K83-N87 PolarHBondContact O-OD1 3.34Å; I84-N87 PolarHBondContact O-N 2.98Å; N87-M150 WeakPolarHBondContact O-CE 3.45Å; N87-I152 HydrophobicContact CB-CD1 4.4Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.37Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.34Å
88	L	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1.6	178.5	-59.7	175.8	0	0	0	113.9	I84 E86 G90 G91 I94 Y146 C147 M150 I152 W176	I84-L88 HydrophobicContact CG2-CD1 3.83Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 3.03Å; E86-L88 PolarHBondContact O-N 3.4Å; L88-G90 PolarHBondContact O-N 3.41Å; L88-G91 PolarHBondContact O-N 3.38Å; L88-I94 HydrophobicContact CB-CG1 4.47Å; L88-I94 HydrophobicContact CB-CG2 3.89Å; L88-Y146 HydrophobicContact CB-CE1 4.23Å; L88-Y146 HydrophobicContact CD2-CD1 3.97Å; L88-Y146 HydrophobicContact CD2-CE1 3.72Å; L88-C147 HydrophobicContact CD1-CB 3.83Å; L88-C147 HydrophobicContact CD2-CB 3.92Å; L88-M150 HydrophobicContact CD2-CB 3.54Å; L88-M150 HydrophobicContact CD2-CG 3.99Å; L88-I152 HydrophobicContact CD1-CD1 4.03Å; L88-I152 HydrophobicContact CD1-CG2 4.27Å; L88-I152 HydrophobicContact CD2-CD1 3.89Å; L88-I152 HydrophobicContact CG-CD1 3.81Å; L88-W176 HydrophobicContact CD1-CD2 4.15Å; L88-W176 HydrophobicContact CD1-CE3 3.55Å; L88-W176 HydrophobicContact CD1-CH2 3.69Å; L88-W176 HydrophobicContact CD1-CZ2 4.23Å; L88-W176 HydrophobicContact CD1-CZ3 3.3Å
89	R	98.3	Very high	98.5	Very high	118 Å²	118	29.9 Å²	29.9	45%	0.445	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	127.1	-179.2	-176.1	-174.7	-87.5	162.1	-11.1	110.2	L85 E86 G91 T96 L97 A98	L85-R89 PolarHBondContact O-N 3.07Å; L85-R89 VanDerWaalsContact O-N 3.11Å; E86-R89 VanDerWaalsContact O-CB 3.3Å; E86-R89 WeakPolarHBondContact O-CB 3.29Å; E86-R89 PolarHBondContact O-N 2.91Å; R89-G91 VanDerWaalsContact C-N 3.35Å; R89-T96 HydrophobicContact CG-CG2 4.39Å; R89-L97 VanDerWaalsContact CZ-O 3.27Å; R89-L97 PolarHBondContact NE-O 3.22Å; R89-L97 PolarHBondContact NH2-O 2.83Å; R89-A98 PolarHBondContact NH2-O 3.01Å
90	G	97.9	Very high	98.5	Very high	69 Å²	69	27.9 Å²	27.9	71%	0.711	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	0.1	-175.9	0	0	0	0	0	114.9	L88	L88-G90 PolarHBondContact O-N 3.41Å
91	G	98.4	Very high	98.5	Very high	8 Å²	8	26.6 Å²	26.6	8%	0.082	16%	0.16	C	C	.	.			trans	-65.4	148.7	172.8	0	0	0	0	0	113.6	L88 R89 N93 I94	L88-G91 PolarHBondContact O-N 3.38Å; R89-G91 VanDerWaalsContact C-N 3.35Å; G91-N93 PolarHBondContact O-N 3.13Å; G91-I94 PolarHBondContact O-N 3.43Å
92	P	98.5	Very high	98.5	Very high	59 Å²	59	28.2 Å²	28.2	38%	0.383	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	122.6	178.3	26.4	-35.5	0	0	0	111	I94 K142 A143 Y146	P92-I94 PolarHBondContact O-N 3.15Å; P92-I94 VanDerWaalsContact O-N 3.12Å; P92-K142 HydrophobicContact CB-CB 4.31Å; P92-K142 HydrophobicContact CG-CB 4.47Å; P92-A143 WeakPolarHBondContact O-CA 3.12Å; P92-Y146 HydrophobicContact CG-CD2 4.31Å; P92-Y146 HydrophobicContact CG-CG 4.13Å
93	N	98.5	Very high	98.4	Very high	24 Å²	24	30.1 Å²	30.1	13%	0.128	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.6	179.6	-54	-31.1	0	0	0	115	G91 E139 A143 L171 R172 L173	G91-N93 PolarHBondContact O-N 3.13Å; N93-E139 WeakPolarHBondContact ND2-CB 3.35Å; N93-E139 PolarHBondContact ND2-O 2.96Å; N93-E139 PolarHBondContact ND2-OE2 3.43Å; N93-A143 HydrophobicContact CB-CB 4.19Å; N93-L171 HydrophobicContact CB-CD2 4.06Å; N93-L171 PolarHBondContact OD1-O 3.35Å; N93-R172 CarbonylContact O-C 3.56Å; N93-R172 WeakPolarHBondContact O-CA 3.47Å; N93-L173 PolarHBondContact O-N 3.36Å
94	I	98.7	Very high	98.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.015	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-84.1	141.5	167.2	-50.5	-62.8	0	0	0	109.2	L88 G91 P92 T96 A143 Y146 R172 W176	L88-I94 HydrophobicContact CB-CG1 4.47Å; L88-I94 HydrophobicContact CB-CG2 3.89Å; G91-I94 PolarHBondContact O-N 3.43Å; P92-I94 PolarHBondContact O-N 3.15Å; P92-I94 VanDerWaalsContact O-N 3.12Å; I94-T96 PolarHBondContact O-N 2.87Å; I94-A143 HydrophobicContact CD1-CB 3.96Å; I94-Y146 HydrophobicContact CD1-CD1 4.14Å; I94-Y146 HydrophobicContact CG1-CD1 3.84Å; I94-Y146 HydrophobicContact CG1-CE1 4.24Å; I94-R172 VanDerWaalsContact O-CD 3.23Å; I94-R172 WeakPolarHBondContact O-CD 3.41Å; I94-R172 PolarHBondContact O-NE 3.28Å; I94-W176 HydrophobicContact CD1-CH2 3.82Å; I94-W176 HydrophobicContact CD1-CZ2 3.57Å; I94-W176 HydrophobicContact CG2-CZ2 4.09Å
95	I	98.5	Very high	98.2	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.051	23%	0.226	C	C	.	.			trans	-68	126	172.8	-168	70.5	0	0	0	112	L85 L97 F113 E114 V116 R172 L173 I174	L85-I95 HydrophobicContact CD2-CG2 3.99Å; I95-L97 PolarHBondContact O-N 3.37Å; I95-F113 HydrophobicContact CG1-CB 4.12Å; I95-F113 HydrophobicContact CG1-CD1 3.69Å; I95-F113 HydrophobicContact CG1-CE1 4.46Å; I95-F113 HydrophobicContact CG1-CG 4.17Å; I95-F113 HydrophobicContact CG2-CD1 4.12Å; I95-F113 HydrophobicContact CG2-CE1 4.1Å; I95-E114 HydrophobicContact CD1-CG 3.67Å; I95-V116 HydrophobicContact CD1-CG2 3.46Å; I95-V116 VanDerWaalsContact CD1-CG2 3.46Å; I95-R172 HydrophobicContact CD1-CB 4.19Å; I95-R172 HydrophobicContact CD1-CG 4.15Å; I95-L173 WeakPolarHBondContact CG2-O 3.41Å; I95-L173 PolarHBondContact N-O 3.32Å; I95-I174 HydrophobicContact CB-CG2 3.92Å; I95-I174 HydrophobicContact CD1-CG2 4.15Å; I95-I174 HydrophobicContact CG1-CG2 4.08Å; I95-I174 HydrophobicContact CG2-CB 4.47Å; I95-I174 HydrophobicContact CG2-CG2 4.24Å
96	T	98.5	Very high	98.1	Very high	45 Å²	45	40.8 Å²	40.8	28%	0.276	25%	0.249	S	C	.	.			trans	-77.4	109.2	179.5	-52.1	0	0	0	0	110.2	R89 I94 A98 F113 E114	R89-T96 HydrophobicContact CG-CG2 4.39Å; I94-T96 PolarHBondContact O-N 2.87Å; T96-A98 PolarHBondContact O-N 2.98Å; T96-F113 VanDerWaalsContact O-CA 3.29Å; T96-F113 WeakPolarHBondContact O-CA 3.23Å; T96-E114 WeakPolarHBondContact CB-OE1 3.18Å; T96-E114 PolarHBondContact N-OE1 3.39Å; T96-E114 PolarHBondContact O-N 2.86Å; T96-E114 PolarHBondContact OG1-OE1 2.94Å
97	L	98.6	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	113.7	161.2	176.7	72	0	0	0	108.1	L85 R89 I95 D99 I100 L111 F113	L85-L97 HydrophobicContact CB-CB 3.88Å; L85-L97 HydrophobicContact CB-CD2 3.68Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CB 4.35Å; L85-L97 HydrophobicContact CD1-CD1 4.35Å; L85-L97 HydrophobicContact CD1-CD2 4.23Å; L85-L97 HydrophobicContact CG-CB 4.5Å; R89-L97 VanDerWaalsContact CZ-O 3.27Å; R89-L97 PolarHBondContact NE-O 3.22Å; R89-L97 PolarHBondContact NH2-O 2.83Å; I95-L97 PolarHBondContact O-N 3.37Å; L97-D99 WeakPolarHBondContact CD1-O 3.16Å; L97-I100 HydrophobicContact CD1-CG1 4.31Å; L97-I100 HydrophobicContact CD2-CD1 4.08Å; L97-I100 HydrophobicContact CD2-CG1 3.91Å; L97-I100 HydrophobicContact CG-CG1 4.36Å; L97-L111 HydrophobicContact CD1-CB 3.84Å; L97-L111 HydrophobicContact CD1-CD2 4.2Å; L97-L111 HydrophobicContact CD1-CG 4.45Å; L97-F113 HydrophobicContact CB-CD1 4.26Å; L97-F113 HydrophobicContact CB-CE1 4.1Å; L97-F113 HydrophobicContact CD1-CD1 4.39Å; L97-F113 HydrophobicContact CD1-CE1 4Å; L97-F113 HydrophobicContact CD1-CZ 4.16Å
98	A	98.1	Very high	97.9	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-54.5	176.9	0	0	0	0	0	110.7	R89 T96 V112	R89-A98 PolarHBondContact NH2-O 3.01Å; T96-A98 PolarHBondContact O-N 2.98Å; A98-V112 PolarHBondContact N-O 2.68Å
99	D	98.3	Very high	97.8	Very high	43 Å²	43	47.7 Å²	47.7	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162	-170.2	-170.5	16.6	0	0	0	112.2	Y39 L97 V101 V112	Y39-D99 WeakPolarHBondContact CE2-OD2 3.48Å; Y39-D99 VanDerWaalsContact OH-CB 3.27Å; Y39-D99 WeakPolarHBondContact OH-CB 3.38Å; Y39-D99 PolarHBondContact OH-OD2 3.38Å; L97-D99 WeakPolarHBondContact CD1-O 3.16Å; D99-V101 VanDerWaalsContact OD2-CG1 3.24Å; D99-V101 WeakPolarHBondContact OD2-CG1 3.13Å; D99-V112 HydrophobicContact CB-CB 4.02Å; D99-V112 HydrophobicContact CB-CG2 4.2Å; D99-V112 PolarHBondContact N-O 3.43Å; D99-V112 PolarHBondContact O-N 2.99Å
100	I	98.5	Very high	97.8	Very high	15 Å²	15	42 Å²	42	8%	0.077	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	102.1	-173.7	-56.7	157.8	0	0	0	108.2	V31 W33 G34 I82 L97 L111	V31-I100 HydrophobicContact CG1-CB 4.5Å; V31-I100 HydrophobicContact CG1-CD1 4.42Å; V31-I100 HydrophobicContact CG1-CG2 3.6Å; W33-I100 CarbonylContact C-O 3.56Å; W33-I100 WeakPolarHBondContact CA-O 3.36Å; W33-I100 HydrophobicContact CD2-CG2 4.34Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.1Å; W33-I100 HydrophobicContact CZ3-CG2 3.52Å; G34-I100 PolarHBondContact N-O 3.36Å; I82-I100 HydrophobicContact CD1-CG2 3.79Å; I82-I100 HydrophobicContact CG1-CD1 4.39Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.34Å; I82-I100 HydrophobicContact CG2-CD1 3.55Å; I82-I100 HydrophobicContact CG2-CG1 4.47Å; L97-I100 HydrophobicContact CD1-CG1 4.31Å; L97-I100 HydrophobicContact CD2-CD1 4.08Å; L97-I100 HydrophobicContact CD2-CG1 3.91Å; L97-I100 HydrophobicContact CG-CG1 4.36Å; I100-L111 HydrophobicContact CG1-CD2 4.27Å; I100-L111 HydrophobicContact CG2-CD2 4.06Å
101	V	98.6	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	164.4	-167.4	-58.9	0	0	0	0	113.5	G34 Q36 Y39 D99 P109 A110 V112	G34-V101 WeakPolarHBondContact O-CA 3.25Å; Q36-V101 HydrophobicContact CB-CB 4.18Å; Q36-V101 HydrophobicContact CB-CG2 3.86Å; Q36-V101 HydrophobicContact CG-CG2 3.85Å; Y39-V101 HydrophobicContact CD2-CG1 4.11Å; Y39-V101 HydrophobicContact CE2-CG1 3.66Å; D99-V101 VanDerWaalsContact OD2-CG1 3.24Å; D99-V101 WeakPolarHBondContact OD2-CG1 3.13Å; V101-P109 WeakPolarHBondContact O-CA 3.46Å; V101-A110 HydrophobicContact CG2-CB 3.89Å; V101-A110 PolarHBondContact N-O 3.08Å; V101-A110 PolarHBondContact O-N 3.03Å; V101-V112 HydrophobicContact CG1-CG2 4.12Å; V101-V112 HydrophobicContact CG2-CG2 4.02Å
102	K	98	Very high	97.9	Very high	40 Å²	40	38.4 Å²	38.4	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.4	163.3	-85.6	165.7	-174.9	150.7	0	111.4	W33 G34 Q36 T108 P109	W33-K102 HydrophobicContact CB-CD 4.3Å; W33-K102 HydrophobicContact CD2-CD 3.8Å; W33-K102 HydrophobicContact CD2-CG 4.11Å; W33-K102 VanDerWaalsContact CE2-CE 3.49Å; W33-K102 HydrophobicContact CE3-CD 3.86Å; W33-K102 HydrophobicContact CE3-CG 3.64Å; W33-K102 HydrophobicContact CG-CD 3.97Å; W33-K102 VanDerWaalsContact CG-NZ 3.31Å; W33-K102 HydrophobicContact CZ3-CG 4.15Å; G34-K102 PolarHBondContact O-N 2.96Å; G34-K102 VanDerWaalsContact O-N 3.08Å; Q36-K102 WeakPolarHBondContact CB-O 3.47Å; Q36-K102 PolarHBondContact N-O 3.07Å; Q36-K102 VanDerWaalsContact N-O 3.15Å; K102-T108 WeakPolarHBondContact CA-O 3.41Å; K102-P109 HydrophobicContact CG-CB 4.24Å
103	D	97.4	Very high	97.9	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.214	21%	0.205	C	C	.	.			trans	-53.4	122.4	158.8	-175.2	-95.1	0	0	0	109.4	Q36 V105 S106 R107 T108	Q36-D103 PolarHBondContact NE2-OD2 2.69Å; Q36-D103 VanDerWaalsContact NE2-OD2 3.16Å; D103-V105 VanDerWaalsContact C-N 3.3Å; D103-V105 PolarHBondContact O-N 3.28Å; D103-V105 PolarHBondContact OD1-N 3.47Å; D103-S106 WeakPolarHBondContact CB-OG 3.3Å; D103-S106 WeakPolarHBondContact OD1-CA 3.46Å; D103-S106 VanDerWaalsContact OD1-CB 3.26Å; D103-S106 WeakPolarHBondContact OD1-CB 3.37Å; D103-S106 PolarHBondContact OD1-N 3.06Å; D103-S106 PolarHBondContact OD1-OG 2.71Å; D103-R107 WeakPolarHBondContact O-CA 3.27Å; D103-R107 PolarHBondContact O-N 2.99Å; D103-T108 PolarHBondContact N-O 2.78Å
104	P	96.4	Very high	97.9	Very high	50 Å²	50	37.6 Å²	37.6	33%	0.325	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.5	-171.8	23.9	-33.1	0	0	0	112.6	D37 R107	D37-P104 WeakPolarHBondContact OD1-CD 3.49Å; D37-P104 WeakPolarHBondContact OD1-CG 3.43Å; D37-P104 WeakPolarHBondContact OD2-CG 3.48Å; P104-R107 WeakPolarHBondContact O-CD 3.5Å
105	V	96.6	Very high	97.8	Very high	134 Å²	134	40.1 Å²	40.1	81%	0.812	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-58.8	-175.2	-177.6	0	0	0	0	111.8	D103 R107	D103-V105 VanDerWaalsContact C-N 3.3Å; D103-V105 PolarHBondContact O-N 3.28Å; D103-V105 PolarHBondContact OD1-N 3.47Å; V105-R107 VanDerWaalsContact C-N 3.33Å
106	S	95.9	Very high	97.5	Very high	70 Å²	70	41.2 Å²	41.2	49%	0.49	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.9	-178.2	69.8	0	0	0	0	113.7	D103 T108	D103-S106 WeakPolarHBondContact CB-OG 3.3Å; D103-S106 WeakPolarHBondContact OD1-CA 3.46Å; D103-S106 VanDerWaalsContact OD1-CB 3.26Å; D103-S106 WeakPolarHBondContact OD1-CB 3.37Å; D103-S106 PolarHBondContact OD1-N 3.06Å; D103-S106 PolarHBondContact OD1-OG 2.71Å; S106-T108 PolarHBondContact O-N 2.87Å; S106-T108 VanDerWaalsContact O-N 3.15Å; S106-T108 WeakPolarHBondContact OG-CB 3.42Å; S106-T108 PolarHBondContact OG-N 2.67Å; S106-T108 PolarHBondContact OG-OG1 3.32Å
107	R	95.9	Very high	97.2	Very high	151 Å²	151	43 Å²	43	57%	0.57	24%	0.237	S	C	*	.			trans	59.4	17.4	-173.6	-47.9	-59.8	-72.8	148.7	-8	113.8	D103 P104 V105	D103-R107 WeakPolarHBondContact O-CA 3.27Å; D103-R107 PolarHBondContact O-N 2.99Å; P104-R107 WeakPolarHBondContact O-CD 3.5Å; V105-R107 VanDerWaalsContact C-N 3.33Å
108	T	96.9	Very high	96.7	Very high	46 Å²	46	46.2 Å²	46.2	28%	0.282	25%	0.254	S	S	.	.			trans	-65.3	125.9	176.3	-55.8	0	0	0	0	109.8	I69 K102 D103 S106	I69-T108 HydrophobicContact CG2-CG2 3.63Å; K102-T108 WeakPolarHBondContact CA-O 3.41Å; D103-T108 PolarHBondContact N-O 2.78Å; S106-T108 PolarHBondContact O-N 2.87Å; S106-T108 VanDerWaalsContact O-N 3.15Å; S106-T108 WeakPolarHBondContact OG-CB 3.42Å; S106-T108 PolarHBondContact OG-N 2.67Å; S106-T108 PolarHBondContact OG-OG1 3.32Å
109	P	98	Very high	96.2	Very high	23 Å²	23	46.1 Å²	46.1	15%	0.149	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.9	178.4	30.7	-30.7	0	0	0	111.7	W33 L70 I78 V101 K102	W33-P109 HydrophobicContact CE3-CB 4.34Å; W33-P109 HydrophobicContact CH2-CB 3.61Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å; L70-P109 HydrophobicContact CB-CG 4.32Å; L70-P109 WeakPolarHBondContact CB-O 3.49Å; L70-P109 HydrophobicContact CD1-CG 4.49Å; L70-P109 PolarHBondContact N-O 2.96Å; I78-P109 HydrophobicContact CD1-CG 3.83Å; V101-P109 WeakPolarHBondContact O-CA 3.46Å; K102-P109 HydrophobicContact CG-CB 4.24Å
110	A	98.5	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.5	172.5	0	0	0	0	0	111.1	V67 K68 I69 V101	V67-A110 HydrophobicContact CG1-CB 3.89Å; K68-A110 WeakPolarHBondContact O-CA 3.13Å; I69-A110 HydrophobicContact CB-CB 4.47Å; I69-A110 HydrophobicContact CG1-CB 4.19Å; V101-A110 HydrophobicContact CG2-CB 3.89Å; V101-A110 PolarHBondContact N-O 3.08Å; V101-A110 PolarHBondContact O-N 3.03Å
111	L	98.6	Very high	94.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.3	175.2	-57.2	-179.2	0	0	0	109	K68 L70 E81 I82 L85 L97 I100 F113	K68-L111 HydrophobicContact CB-CB 4.43Å; K68-L111 PolarHBondContact N-O 3.4Å; K68-L111 PolarHBondContact O-N 3.14Å; L70-L111 HydrophobicContact CD1-CD1 4.34Å; L70-L111 HydrophobicContact CD1-CG 4.14Å; L70-L111 HydrophobicContact CD2-CD1 4.41Å; L70-L111 HydrophobicContact CD2-CG 4.5Å; L70-L111 HydrophobicContact CG-CG 4.47Å; E81-L111 HydrophobicContact CG-CD1 4.06Å; I82-L111 HydrophobicContact CD1-CD2 4.13Å; I82-L111 HydrophobicContact CG1-CD2 3.62Å; L85-L111 HydrophobicContact CD1-CD1 4.05Å; L97-L111 HydrophobicContact CD1-CB 3.84Å; L97-L111 HydrophobicContact CD1-CD2 4.2Å; L97-L111 HydrophobicContact CD1-CG 4.45Å; I100-L111 HydrophobicContact CG1-CD2 4.27Å; I100-L111 HydrophobicContact CG2-CD2 4.06Å; L111-F113 HydrophobicContact CB-CD2 4.43Å; L111-F113 HydrophobicContact CB-CE2 3.54Å; L111-F113 HydrophobicContact CB-CZ 3.79Å; L111-F113 HydrophobicContact CD1-CZ 4.11Å
112	V	98.7	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.6	-178.2	-171.6	0	0	0	0	109.3	Y39 V65 V67 A98 D99 V101	Y39-V112 HydrophobicContact CD1-CG1 4.11Å; Y39-V112 HydrophobicContact CD2-CG2 4.31Å; Y39-V112 HydrophobicContact CE1-CG1 3.67Å; Y39-V112 HydrophobicContact CE1-CG2 4.34Å; Y39-V112 HydrophobicContact CE2-CG2 4.08Å; V65-V112 HydrophobicContact CB-CG1 3.72Å; V65-V112 HydrophobicContact CG1-CG1 4.1Å; V65-V112 HydrophobicContact CG2-CG1 3.71Å; V67-V112 HydrophobicContact CG2-CG2 4.42Å; A98-V112 PolarHBondContact N-O 2.68Å; D99-V112 HydrophobicContact CB-CB 4.02Å; D99-V112 HydrophobicContact CB-CG2 4.2Å; D99-V112 PolarHBondContact N-O 3.43Å; D99-V112 PolarHBondContact O-N 2.99Å; V101-V112 HydrophobicContact CG1-CG2 4.12Å; V101-V112 HydrophobicContact CG2-CG2 4.02Å
113	F	98.7	Very high	93.1	Very high	16 Å²	16	59.5 Å²	59.5	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	159	-175.8	-61.5	-86.6	0	0	0	112.4	V65 V66 K68 L85 I95 T96 L97 L111	V65-F113 WeakPolarHBondContact CA-O 3.45Å; V65-F113 WeakPolarHBondContact CB-O 3.33Å; V66-F113 HydrophobicContact CB-CB 4.41Å; V66-F113 PolarHBondContact N-O 3.33Å; V66-F113 PolarHBondContact O-N 2.88Å; K68-F113 HydrophobicContact CB-CD2 4.34Å; K68-F113 HydrophobicContact CB-CE2 3.8Å; K68-F113 HydrophobicContact CD-CE2 3.96Å; K68-F113 HydrophobicContact CD-CZ 4.43Å; L85-F113 HydrophobicContact CD1-CE1 3.65Å; L85-F113 HydrophobicContact CD1-CZ 3.73Å; L85-F113 HydrophobicContact CD2-CE1 3.91Å; L85-F113 HydrophobicContact CG-CE1 4.42Å; I95-F113 HydrophobicContact CG1-CB 4.12Å; I95-F113 HydrophobicContact CG1-CD1 3.69Å; I95-F113 HydrophobicContact CG1-CE1 4.46Å; I95-F113 HydrophobicContact CG1-CG 4.17Å; I95-F113 HydrophobicContact CG2-CD1 4.12Å; I95-F113 HydrophobicContact CG2-CE1 4.1Å; T96-F113 VanDerWaalsContact O-CA 3.29Å; T96-F113 WeakPolarHBondContact O-CA 3.23Å; L97-F113 HydrophobicContact CB-CD1 4.26Å; L97-F113 HydrophobicContact CB-CE1 4.1Å; L97-F113 HydrophobicContact CD1-CD1 4.39Å; L97-F113 HydrophobicContact CD1-CE1 4Å; L97-F113 HydrophobicContact CD1-CZ 4.16Å; L111-F113 HydrophobicContact CB-CD2 4.43Å; L111-F113 HydrophobicContact CB-CE2 3.54Å; L111-F113 HydrophobicContact CB-CZ 3.79Å; L111-F113 HydrophobicContact CD1-CZ 4.11Å
114	E	97.8	Very high	92.6	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	-50	141.5	165.3	68.4	-178.3	126.8	0	0	111	I95 T96 V116 R172	I95-E114 HydrophobicContact CD1-CG 3.67Å; T96-E114 WeakPolarHBondContact CB-OE1 3.18Å; T96-E114 PolarHBondContact N-OE1 3.39Å; T96-E114 PolarHBondContact O-N 2.86Å; T96-E114 PolarHBondContact OG1-OE1 2.94Å; E114-V116 HydrophobicContact CG-CG2 3.91Å; E114-V116 PolarHBondContact O-N 2.91Å; E114-R172 VanDerWaalsContact CD-NE 3.35Å; E114-R172 IonicContact OE1-CZ 3.66Å; E114-R172 IonicContact OE1-NE 3.49Å; E114-R172 PolarHBondContact OE1-NE 3.25Å; E114-R172 IonicContact OE1-NH2 3.59Å; E114-R172 IonicContact OE2-CZ 3.82Å; E114-R172 IonicContact OE2-NE 3.62Å; E114-R172 PolarHBondContact OE2-NE 2.74Å; E114-R172 IonicContact OE2-NH2 2.72Å; E114-R172 PolarHBondContact OE2-NH2 3.2Å
115	H	97.1	Very high	91.9	Very high	56 Å²	56	55.4 Å²	55.4	26%	0.259	28%	0.284	S	S	.	.			trans	-75.3	124.4	173.1	177	-77.5	0	0	0	110.8	K64 N117	K64-H115 HydrophobicContact CB-CB 3.8Å; K64-H115 WeakPolarHBondContact O-CB 3.45Å; H115-N117 PolarHBondContact CE1-OD1 3.32Å
116	V	93.5	Very high	91.3	Very high	34 Å²	34	53.9 Å²	53.9	21%	0.206	27%	0.269	C	S	.	.			trans	-118.4	121.6	179.5	-172.5	0	0	0	0	108.5	I95 E114 M163 R172	I95-V116 HydrophobicContact CD1-CG2 3.46Å; I95-V116 VanDerWaalsContact CD1-CG2 3.46Å; E114-V116 HydrophobicContact CG-CG2 3.91Å; E114-V116 PolarHBondContact O-N 2.91Å; V116-M163 HydrophobicContact CG1-CB 3.94Å; V116-R172 HydrophobicContact CG1-CB 4.44Å; V116-R172 HydrophobicContact CG1-CG 4.11Å; V116-R172 HydrophobicContact CG2-CB 4.46Å; V116-R172 HydrophobicContact CG2-CG 3.87Å
117	N	90.6	Very high	91.1	Very high	82 Å²	82	55.3 Å²	55.3	44%	0.439	27%	0.274	S	S	.	.			trans	-63.6	139.9	167.2	-60.5	-38.5	0	0	0	108.8	H115 D165	H115-N117 PolarHBondContact CE1-OD1 3.32Å; N117-D165 HydrophobicContact CB-CB 4.12Å; N117-D165 WeakPolarHBondContact CB-OD2 3.34Å; N117-D165 PolarHBondContact ND2-OD2 3.22Å; N117-D165 PolarHBondContact O-N 2.95Å
118	N	89.8	Confident	91.1	Very high	68 Å²	68	48.2 Å²	48.2	36%	0.364	25%	0.248	S	C	.	.			trans	-135.1	117.1	177.7	-175.7	68.3	0	0	0	112.1	M163 I164	N118-M163 HydrophobicContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact OD1-CA 3.25Å; N118-M163 WeakPolarHBondContact OD1-CA 3.14Å; N118-M163 PolarHBondContact OD1-SD 3.09Å; N118-M163 VanDerWaalsContact OD1-SD 3.42Å; N118-I164 WeakPolarHBondContact CA-O 3.35Å; N118-I164 PolarHBondContact OD1-N 2.95Å
119	T	87.3	Confident	91.1	Very high	50 Å²	50	49.3 Å²	49.3	31%	0.307	25%	0.254	S	S	.	.			trans	-70.7	122.8	159.1	-47.7	0	0	0	0	107.8	F121 L124 I164 H166	T119-F121 PolarHBondContact O-N 2.91Å; T119-L124 HydrophobicContact CG2-CB 4.01Å; T119-I164 PolarHBondContact N-O 3.29Å; T119-H166 WeakPolarHBondContact OG1-CB 3.18Å
120	D	83.8	Confident	91	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	26%	0.256	S	S	.	.			trans	-57.2	128.9	-179.2	176.5	-98.2	0	0	0	111	K122 Q123 L124	D120-K122 PolarHBondContact O-N 3.42Å; D120-K122 VanDerWaalsContact O-N 3.17Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.48Å; D120-K122 PolarHBondContact OD1-N 3.48Å; D120-Q123 HydrophobicContact CB-CG 4.13Å; D120-Q123 WeakPolarHBondContact O-CB 3.47Å; D120-Q123 PolarHBondContact O-N 3.47Å; D120-Q123 PolarHBondContact OD1-N 2.87Å; D120-L124 PolarHBondContact O-N 3.11Å
121	F	80.1	Confident	91	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-32.8	-170.1	-173.4	-85.3	0	0	0	112.2	T119 Q123 L124 Y125 P159 I164 M225	T119-F121 PolarHBondContact O-N 2.91Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.11Å; F121-L124 PolarHBondContact O-N 3.09Å; F121-Y125 HydrophobicContact CD1-CD2 4.42Å; F121-Y125 AromaticContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CD2 3.46Å; F121-Y125 VanDerWaalsContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CE2 4.31Å; F121-Y125 HydrophobicContact CE1-CG 4.06Å; F121-Y125 AromaticContact CZ-CD2 3.91Å; F121-Y125 HydrophobicContact CZ-CD2 3.91Å; F121-Y125 WeakPolarHBondContact O-CB 3.3Å; F121-Y125 PolarHBondContact O-N 2.75Å; F121-P159 HydrophobicContact CB-CB 4.3Å; F121-P159 HydrophobicContact CD1-CB 3.33Å; F121-P159 HydrophobicContact CD1-CG 4.11Å; F121-P159 HydrophobicContact CD2-CB 3.82Å; F121-P159 HydrophobicContact CE1-CB 3.42Å; F121-P159 VanDerWaalsContact CE1-CB 3.42Å; F121-P159 HydrophobicContact CE1-CG 3.74Å; F121-P159 HydrophobicContact CE2-CB 3.91Å; F121-P159 HydrophobicContact CG-CB 3.54Å; F121-P159 HydrophobicContact CZ-CB 3.72Å; F121-P159 HydrophobicContact CZ-CG 4.01Å; F121-I164 HydrophobicContact CD2-CD1 4.44Å; F121-M225 HydrophobicContact CE2-SD 4.42Å; F121-M225 HydrophobicContact CZ-CG 4.18Å; F121-M225 HydrophobicContact CZ-SD 3.95Å
122	K	80	Confident	90.9	Very high	150 Å²	150	54.4 Å²	54.4	65%	0.652	28%	0.275	S	S	*	.	H	α-helix	trans	-68.8	-29	179.3	-171.3	-176.3	175.5	-174.6	0	112.1	D120	D120-K122 PolarHBondContact O-N 3.42Å; D120-K122 VanDerWaalsContact O-N 3.17Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.48Å; D120-K122 PolarHBondContact OD1-N 3.48Å
123	Q	84.3	Confident	90.9	Very high	134 Å²	134	54.4 Å²	54.4	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-74.1	-52.4	171.1	-57	179.4	10	0	0	110.1	D120 F121 Y125 Q126	D120-Q123 HydrophobicContact CB-CG 4.13Å; D120-Q123 WeakPolarHBondContact O-CB 3.47Å; D120-Q123 PolarHBondContact O-N 3.47Å; D120-Q123 PolarHBondContact OD1-N 2.87Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.11Å; Q123-Y125 PolarHBondContact O-N 2.72Å; Q123-Q126 PolarHBondContact O-N 2.61Å
124	L	86.5	Confident	90.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-43.8	-175.8	179.1	57.4	0	0	0	112.8	T119 D120 F121 Q126 T127 L128 I164 H166	T119-L124 HydrophobicContact CG2-CB 4.01Å; D120-L124 PolarHBondContact O-N 3.11Å; F121-L124 PolarHBondContact O-N 3.09Å; L124-Q126 PolarHBondContact O-N 2.85Å; L124-T127 PolarHBondContact O-N 3.39Å; L124-T127 PolarHBondContact O-OG1 3Å; L124-T127 VanDerWaalsContact O-OG1 3.07Å; L124-L128 HydrophobicContact CD1-CD2 3.7Å; L124-L128 HydrophobicContact CD1-CG 4.06Å; L124-L128 HydrophobicContact CD2-CD2 4.35Å; L124-L128 HydrophobicContact CG-CD1 4.4Å; L124-L128 HydrophobicContact CG-CD2 3.87Å; L124-L128 HydrophobicContact CG-CG 3.96Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.12Å; L124-I164 HydrophobicContact CD2-CB 3.97Å; L124-I164 HydrophobicContact CD2-CD1 3.87Å; L124-I164 HydrophobicContact CD2-CG1 4.49Å; L124-I164 HydrophobicContact CD2-CG2 3.71Å; L124-H166 HydrophobicContact CD1-CB 4.2Å; L124-H166 WeakPolarHBondContact CD1-ND1 3.27Å; L124-H166 HydrophobicContact CD2-CB 4.5Å
125	Y	81.5	Confident	90.9	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-51.8	-30.9	179	175.3	-88.3	0	0	0	113.8	F121 Q123 S224 M225 R228 K229 E230	F121-Y125 HydrophobicContact CD1-CD2 4.42Å; F121-Y125 AromaticContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CD2 3.46Å; F121-Y125 VanDerWaalsContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CE2 4.31Å; F121-Y125 HydrophobicContact CE1-CG 4.06Å; F121-Y125 AromaticContact CZ-CD2 3.91Å; F121-Y125 HydrophobicContact CZ-CD2 3.91Å; F121-Y125 WeakPolarHBondContact O-CB 3.3Å; F121-Y125 PolarHBondContact O-N 2.75Å; Q123-Y125 PolarHBondContact O-N 2.72Å; Y125-S224 PolarHBondContact OH-O 2.88Å; Y125-M225 HydrophobicContact CD2-CB 4.48Å; Y125-M225 HydrophobicContact CD2-CG 3.64Å; Y125-M225 HydrophobicContact CE2-CB 4.27Å; Y125-M225 HydrophobicContact CE2-CG 3.75Å; Y125-R228 VanDerWaalsContact O-CZ 3.3Å; Y125-R228 PolarHBondContact O-NE 3.35Å; Y125-K229 PolarHBondContact OH-N 3.28Å; Y125-E230 HydrophobicContact CE1-CB 4.33Å; Y125-E230 PolarHBondContact OH-N 3.17Å; Y125-E230 VanDerWaalsContact OH-N 3.13Å
126	Q	84.2	Confident	90.9	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-83.7	-15.4	178.5	-63.7	-62.1	-6.5	0	0	113.9	Q123 L124 R228	Q123-Q126 PolarHBondContact O-N 2.61Å; L124-Q126 PolarHBondContact O-N 2.85Å; Q126-R228 PolarHBondContact O-NH1 2.99Å; Q126-R228 PolarHBondContact O-NH2 3.4Å; Q126-R228 VanDerWaalsContact O-NH2 3.13Å
127	T	91.3	Very high	91.1	Very high	99 Å²	99	49.6 Å²	49.6	61%	0.607	25%	0.249	S	C	*	.	H	α-helix	trans	-108.4	-15.3	-179.6	62.2	0	0	0	0	114.4	L124 T129	L124-T127 PolarHBondContact O-N 3.39Å; L124-T127 PolarHBondContact O-OG1 3Å; L124-T127 VanDerWaalsContact O-OG1 3.07Å; T127-T129 PolarHBondContact O-N 3.38Å
128	L	94.9	Very high	91.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	23%	0.233	C	C	.	.			trans	-55.4	129.8	177.1	-71.3	173.6	0	0	0	112.5	L124 D132 I133 Y136 M225 R228	L124-L128 HydrophobicContact CD1-CD2 3.7Å; L124-L128 HydrophobicContact CD1-CG 4.06Å; L124-L128 HydrophobicContact CD2-CD2 4.35Å; L124-L128 HydrophobicContact CG-CD1 4.4Å; L124-L128 HydrophobicContact CG-CD2 3.87Å; L124-L128 HydrophobicContact CG-CG 3.96Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.12Å; L128-D132 HydrophobicContact CB-CB 4.38Å; L128-D132 HydrophobicContact CD2-CB 3.5Å; L128-D132 VanDerWaalsContact CD2-CB 3.5Å; L128-I133 HydrophobicContact CB-CG1 3.99Å; L128-I133 HydrophobicContact CD1-CG1 4.22Å; L128-Y136 HydrophobicContact CD2-CD2 3.73Å; L128-Y136 HydrophobicContact CD2-CE2 3.81Å; L128-M225 HydrophobicContact CD1-SD 3.95Å; L128-R228 PolarHBondContact O-NH2 3.07Å
129	T	96.8	Very high	91.9	Very high	68 Å²	68	44.5 Å²	44.5	42%	0.417	22%	0.22	S	C	.	.			trans	-78.7	166.2	165.6	72.4	0	0	0	0	111.1	T127 Y131 D132 I133	T127-T129 PolarHBondContact O-N 3.38Å; T129-Y131 VanDerWaalsContact C-N 3.25Å; T129-Y131 PolarHBondContact O-N 3.21Å; T129-Y131 PolarHBondContact OG1-N 2.99Å; T129-D132 WeakPolarHBondContact CB-OD2 3.3Å; T129-D132 WeakPolarHBondContact CG2-OD2 3.44Å; T129-D132 PolarHBondContact N-OD2 3.44Å; T129-D132 PolarHBondContact O-N 3.04Å; T129-D132 VanDerWaalsContact O-N 3.07Å; T129-D132 VanDerWaalsContact OG1-CG 3.31Å; T129-D132 PolarHBondContact OG1-N 3.17Å; T129-D132 VanDerWaalsContact OG1-N 3.12Å; T129-D132 PolarHBondContact OG1-OD2 2.92Å; T129-I133 WeakPolarHBondContact O-CG1 3.5Å; T129-I133 PolarHBondContact O-N 2.66Å
130	D	97.8	Very high	92.5	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-55.5	-40.3	171.1	175.4	42.3	0	0	0	112.1	D132 I133 R134 L292 Y323	D130-D132 VanDerWaalsContact C-N 3.32Å; D130-D132 PolarHBondContact O-N 3.04Å; D130-I133 PolarHBondContact O-N 2.84Å; D130-R134 VanDerWaalsContact O-CG 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.23Å; D130-R134 PolarHBondContact O-N 2.96Å; D130-R134 IonicContact OD1-CZ 2.69Å; D130-R134 IonicContact OD1-NE 2.71Å; D130-R134 PolarHBondContact OD1-NE 3.4Å; D130-R134 IonicContact OD1-NH2 3.26Å; D130-R134 IonicContact OD2-CZ 3.15Å; D130-R134 IonicContact OD2-NE 3.03Å; D130-R134 PolarHBondContact OD2-NE 2.79Å; D130-R134 IonicContact OD2-NH2 3.67Å; D130-R134 PolarHBondContact OD2-NH2 3.02Å; D130-L292 HydrophobicContact CB-CD2 4.29Å; D130-Y323 PolarHBondContact OD1-OH 3.06Å; D130-Y323 VanDerWaalsContact OD1-OH 3.07Å
131	Y	97.9	Very high	93.2	Very high	79 Å²	79	38.6 Å²	38.6	31%	0.31	19%	0.186	S	C	.	.	H	α-helix	trans	-63.6	-37.8	175.9	-174.3	-87.2	0	0	0	112	T129 F135 P326 I327	T129-Y131 VanDerWaalsContact C-N 3.25Å; T129-Y131 PolarHBondContact O-N 3.21Å; T129-Y131 PolarHBondContact OG1-N 2.99Å; Y131-F135 VanDerWaalsContact O-CB 3.25Å; Y131-F135 WeakPolarHBondContact O-CB 3.45Å; Y131-F135 PolarHBondContact O-N 3.16Å; Y131-P326 HydrophobicContact CE2-CB 4.4Å; Y131-I327 HydrophobicContact CD1-CD1 4.39Å; Y131-I327 HydrophobicContact CD2-CD1 3.96Å; Y131-I327 HydrophobicContact CE1-CD1 4.04Å; Y131-I327 HydrophobicContact CE2-CD1 3.58Å; Y131-I327 HydrophobicContact CG-CD1 4.34Å
132	D	97.3	Very high	94.1	Very high	16 Å²	16	39.9 Å²	39.9	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-72.5	-36.2	176.5	-60.1	-60.7	0	0	0	112.6	L128 T129 D130 F135 Y136 R169	L128-D132 HydrophobicContact CB-CB 4.38Å; L128-D132 HydrophobicContact CD2-CB 3.5Å; L128-D132 VanDerWaalsContact CD2-CB 3.5Å; T129-D132 WeakPolarHBondContact CB-OD2 3.3Å; T129-D132 WeakPolarHBondContact CG2-OD2 3.44Å; T129-D132 PolarHBondContact N-OD2 3.44Å; T129-D132 PolarHBondContact O-N 3.04Å; T129-D132 VanDerWaalsContact O-N 3.07Å; T129-D132 VanDerWaalsContact OG1-CG 3.31Å; T129-D132 PolarHBondContact OG1-N 3.17Å; T129-D132 VanDerWaalsContact OG1-N 3.12Å; T129-D132 PolarHBondContact OG1-OD2 2.92Å; D130-D132 VanDerWaalsContact C-N 3.32Å; D130-D132 PolarHBondContact O-N 3.04Å; D132-F135 PolarHBondContact O-N 3.32Å; D132-Y136 HydrophobicContact CB-CD2 4.28Å; D132-Y136 HydrophobicContact CB-CE2 4.16Å; D132-Y136 WeakPolarHBondContact O-CD2 3.35Å; D132-Y136 PolarHBondContact O-N 2.9Å; D132-R169 IonicContact OD1-CZ 3.68Å; D132-R169 IonicContact OD1-NH1 3.53Å; D132-R169 PolarHBondContact OD1-NH1 2.91Å; D132-R169 IonicContact OD1-NH2 2.71Å; D132-R169 PolarHBondContact OD1-NH2 3.42Å
133	I	97.6	Very high	95	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-51.1	171.4	-64.7	169.1	0	0	0	109.4	L128 T129 D130 F135 M137 L222 M225 I226 L292	L128-I133 HydrophobicContact CB-CG1 3.99Å; L128-I133 HydrophobicContact CD1-CG1 4.22Å; T129-I133 WeakPolarHBondContact O-CG1 3.5Å; T129-I133 PolarHBondContact O-N 2.66Å; D130-I133 PolarHBondContact O-N 2.84Å; I133-F135 VanDerWaalsContact C-N 3.32Å; I133-F135 PolarHBondContact O-N 3.05Å; I133-M137 HydrophobicContact CG2-CG 4.19Å; I133-M137 WeakPolarHBondContact O-CB 3.49Å; I133-M137 WeakPolarHBondContact O-CG 3.24Å; I133-M137 PolarHBondContact O-N 3.1Å; I133-L222 HydrophobicContact CG2-CD1 4.01Å; I133-M225 HydrophobicContact CD1-CB 4.04Å; I133-M225 HydrophobicContact CG1-CB 4.25Å; I133-M225 HydrophobicContact CG1-SD 4.44Å; I133-M225 HydrophobicContact CG2-CB 4.26Å; I133-M225 HydrophobicContact CG2-CE 4.19Å; I133-M225 HydrophobicContact CG2-SD 4.41Å; I133-I226 HydrophobicContact CD1-CG2 4.43Å; I133-I226 HydrophobicContact CG2-CG2 4.21Å; I133-L292 HydrophobicContact CD1-CB 4.27Å; I133-L292 HydrophobicContact CD1-CD1 4.12Å; I133-L292 HydrophobicContact CD1-CD2 3.99Å; I133-L292 HydrophobicContact CD1-CG 4.35Å
134	R	98.4	Very high	95.7	Very high	23 Å²	23	26.4 Å²	26.4	9%	0.087	13%	0.131	C	C	.	.	H	α-helix	trans	-54.5	-47.3	174.3	-69.7	170.4	-163.4	-110.5	6.9	111.4	D130 Y138 S294 Y323 F324 I327	D130-R134 VanDerWaalsContact O-CG 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.23Å; D130-R134 PolarHBondContact O-N 2.96Å; D130-R134 IonicContact OD1-CZ 2.69Å; D130-R134 IonicContact OD1-NE 2.71Å; D130-R134 PolarHBondContact OD1-NE 3.4Å; D130-R134 IonicContact OD1-NH2 3.26Å; D130-R134 IonicContact OD2-CZ 3.15Å; D130-R134 IonicContact OD2-NE 3.03Å; D130-R134 PolarHBondContact OD2-NE 2.79Å; D130-R134 IonicContact OD2-NH2 3.67Å; D130-R134 PolarHBondContact OD2-NH2 3.02Å; R134-Y138 WeakPolarHBondContact O-CB 3.26Å; R134-Y138 PolarHBondContact O-N 3.02Å; R134-S294 PolarHBondContact NH2-OG 3.26Å; R134-S294 VanDerWaalsContact NH2-OG 3.08Å; R134-Y323 HydrophobicContact CB-CE1 4.38Å; R134-Y323 WeakPolarHBondContact CD-O 3.47Å; R134-Y323 HydrophobicContact CG-CD1 4.08Å; R134-Y323 HydrophobicContact CG-CD2 4.08Å; R134-Y323 HydrophobicContact CG-CE1 3.58Å; R134-Y323 HydrophobicContact CG-CE2 3.54Å; R134-Y323 HydrophobicContact CG-CG 4.3Å; R134-Y323 WeakPolarHBondContact CG-OH 3.23Å; R134-Y323 VanDerWaalsContact CZ-CD2 3.48Å; R134-Y323 VanDerWaalsContact NH1-CD2 3.26Å; R134-Y323 PolarHBondContact NH1-O 3Å; R134-F324 WeakPolarHBondContact O-CD1 3.18Å; R134-F324 VanDerWaalsContact O-CE1 3.24Å; R134-F324 WeakPolarHBondContact O-CE1 3.49Å; R134-I327 HydrophobicContact CB-CD1 3.85Å; R134-I327 HydrophobicContact CB-CG1 3.73Å
135	F	97.9	Very high	96.3	Very high	26 Å²	26	26.8 Å²	26.8	11%	0.114	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-56.4	-179.2	-179.8	-91.3	0	0	0	112.1	Y131 D132 I133 M137 Y138 E139 R169 I327	Y131-F135 VanDerWaalsContact O-CB 3.25Å; Y131-F135 WeakPolarHBondContact O-CB 3.45Å; Y131-F135 PolarHBondContact O-N 3.16Å; D132-F135 PolarHBondContact O-N 3.32Å; I133-F135 VanDerWaalsContact C-N 3.32Å; I133-F135 PolarHBondContact O-N 3.05Å; F135-M137 VanDerWaalsContact C-N 3.34Å; F135-M137 PolarHBondContact O-N 3.47Å; F135-Y138 WeakPolarHBondContact O-CB 3.37Å; F135-Y138 PolarHBondContact O-N 2.78Å; F135-Y138 VanDerWaalsContact O-N 3.14Å; F135-E139 HydrophobicContact CD1-CG 4.26Å; F135-E139 HydrophobicContact CE1-CG 3.87Å; F135-E139 HydrophobicContact CZ-CG 4.02Å; F135-E139 WeakPolarHBondContact O-CG 3.21Å; F135-E139 PolarHBondContact O-N 3.04Å; F135-R169 HydrophobicContact CE1-CB 3.84Å; F135-R169 WeakPolarHBondContact CE1-O 3.34Å; F135-R169 VanDerWaalsContact CG-NH2 3.28Å; F135-R169 HydrophobicContact CZ-CB 3.9Å; F135-I327 HydrophobicContact CB-CD1 3.96Å; F135-I327 HydrophobicContact CD2-CG2 4.28Å
136	Y	97.6	Very high	97.1	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-69	-32.5	-176.6	-68.1	-60.6	0	0	0	112.5	L128 D132 Y138 E139 I140 I164 H166 L171	L128-Y136 HydrophobicContact CD2-CD2 3.73Å; L128-Y136 HydrophobicContact CD2-CE2 3.81Å; D132-Y136 HydrophobicContact CB-CD2 4.28Å; D132-Y136 HydrophobicContact CB-CE2 4.16Å; D132-Y136 WeakPolarHBondContact O-CD2 3.35Å; D132-Y136 PolarHBondContact O-N 2.9Å; Y136-Y138 VanDerWaalsContact C-N 3.34Å; Y136-E139 PolarHBondContact O-N 2.59Å; Y136-I140 VanDerWaalsContact O-CG1 3.25Å; Y136-I140 WeakPolarHBondContact O-CG1 3.3Å; Y136-I140 PolarHBondContact O-N 2.97Å; Y136-I164 HydrophobicContact CD1-CD1 4.14Å; Y136-I164 HydrophobicContact CD1-CG1 4.5Å; Y136-I164 HydrophobicContact CD1-CG2 4.05Å; Y136-I164 HydrophobicContact CE1-CG2 3.5Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.5Å; Y136-I164 HydrophobicContact CE2-CG2 4.33Å; Y136-I164 HydrophobicContact CG-CD1 4.1Å; Y136-H166 AromaticContact CE2-ND1 3.56Å; Y136-H166 AromaticContact CZ-ND1 3.67Å; Y136-H166 PolarHBondContact OH-ND1 3.34Å; Y136-H166 VanDerWaalsContact OH-ND1 3.08Å; Y136-L171 HydrophobicContact CD1-CD1 3.82Å; Y136-L171 HydrophobicContact CG-CD1 4.41Å
137	M	98.5	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-41.5	170.5	-73.8	-71.2	-61.1	0	0	111.9	I133 F135 I140 L141 L218 L222 M225 F300 F324	I133-M137 HydrophobicContact CG2-CG 4.19Å; I133-M137 WeakPolarHBondContact O-CB 3.49Å; I133-M137 WeakPolarHBondContact O-CG 3.24Å; I133-M137 PolarHBondContact O-N 3.1Å; F135-M137 VanDerWaalsContact C-N 3.34Å; F135-M137 PolarHBondContact O-N 3.47Å; M137-I140 PolarHBondContact O-N 3.26Å; M137-L141 WeakPolarHBondContact O-CB 3.28Å; M137-L141 VanDerWaalsContact O-CG 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.21Å; M137-L141 PolarHBondContact O-N 3.25Å; M137-L218 HydrophobicContact CE-CD1 3.5Å; M137-L218 HydrophobicContact CE-CD2 4.09Å; M137-L218 HydrophobicContact CE-CG 3.56Å; M137-L218 HydrophobicContact SD-CD1 3.71Å; M137-L218 HydrophobicContact SD-CG 4.41Å; M137-L222 HydrophobicContact CE-CB 3.73Å; M137-L222 HydrophobicContact CE-CD1 4.11Å; M137-L222 HydrophobicContact CE-CD2 4.32Å; M137-L222 HydrophobicContact CE-CG 4.27Å; M137-L222 HydrophobicContact CG-CD1 4.21Å; M137-L222 HydrophobicContact SD-CB 4.23Å; M137-L222 HydrophobicContact SD-CD1 4.4Å; M137-M225 HydrophobicContact CG-CE 3.8Å; M137-M225 HydrophobicContact SD-CE 3.45Å; M137-M225 WeakPolarHBondContact SD-CE 3.39Å; M137-F300 HydrophobicContact CE-CE1 4.02Å; M137-F324 HydrophobicContact CB-CE1 3.79Å; M137-F324 HydrophobicContact CB-CZ 4Å
138	Y	98.7	Very high	98.2	Very high	27 Å²	27	19.9 Å²	19.9	11%	0.106	9%	0.092	C	C	.	.	H	α-helix	trans	-66.1	-38.9	175.2	-166	-106.1	0	0	0	112.3	R134 F135 Y136 L141 K142 M319 F324 I327 V328	R134-Y138 WeakPolarHBondContact O-CB 3.26Å; R134-Y138 PolarHBondContact O-N 3.02Å; F135-Y138 WeakPolarHBondContact O-CB 3.37Å; F135-Y138 PolarHBondContact O-N 2.78Å; F135-Y138 VanDerWaalsContact O-N 3.14Å; Y136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-L141 PolarHBondContact O-N 3.38Å; Y138-K142 VanDerWaalsContact CE1-CE 3.45Å; Y138-K142 PolarHBondContact O-N 3.43Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; Y138-M319 HydrophobicContact CD2-CB 4.33Å; Y138-M319 HydrophobicContact CD2-CE 4.49Å; Y138-M319 HydrophobicContact CD2-CG 4.18Å; Y138-M319 HydrophobicContact CE1-CE 4.13Å; Y138-M319 HydrophobicContact CE2-CB 3.73Å; Y138-M319 HydrophobicContact CE2-CE 3.77Å; Y138-M319 HydrophobicContact CE2-CG 3.9Å; Y138-F324 HydrophobicContact CD2-CB 3.84Å; Y138-F324 AromaticContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD2 4.35Å; Y138-F324 HydrophobicContact CD2-CE1 4.48Å; Y138-F324 AromaticContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CE2-CB 4.21Å; Y138-F324 HydrophobicContact CE2-CG 4.49Å; Y138-F324 HydrophobicContact CG-CD1 4.23Å; Y138-I327 HydrophobicContact CD1-CG2 3.78Å; Y138-I327 HydrophobicContact CE1-CG2 4.42Å; Y138-I327 HydrophobicContact CG-CG2 4.05Å; Y138-V328 HydrophobicContact CE2-CG2 3.94Å
139	E	98.4	Very high	98.4	Very high	16 Å²	16	21.5 Å²	21.5	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-31.1	175.7	-65.4	-45.4	122.3	0	0	113.4	N93 F135 Y136 K142 L171 Q331	N93-E139 WeakPolarHBondContact ND2-CB 3.35Å; N93-E139 PolarHBondContact ND2-O 2.96Å; N93-E139 PolarHBondContact ND2-OE2 3.43Å; F135-E139 HydrophobicContact CD1-CG 4.26Å; F135-E139 HydrophobicContact CE1-CG 3.87Å; F135-E139 HydrophobicContact CZ-CG 4.02Å; F135-E139 WeakPolarHBondContact O-CG 3.21Å; F135-E139 PolarHBondContact O-N 3.04Å; Y136-E139 PolarHBondContact O-N 2.59Å; E139-K142 WeakPolarHBondContact OE1-CE 3.48Å; E139-K142 IonicContact OE1-NZ 3.2Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-K142 WeakPolarHBondContact OE2-CD 3.44Å; E139-K142 IonicContact OE2-NZ 3.89Å; E139-K142 PolarHBondContact OE2-NZ 3.43Å; E139-L171 HydrophobicContact CB-CB 4.16Å; E139-L171 HydrophobicContact CB-CD1 4.22Å; E139-Q331 PolarHBondContact OE1-NE2 3.05Å
140	I	98.7	Very high	98.5	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-68.6	-43.6	168.8	-64	160.3	0	0	0	110.3	Y136 M137 K142 A143 L144 V162 L171 L218 M221	Y136-I140 VanDerWaalsContact O-CG1 3.25Å; Y136-I140 WeakPolarHBondContact O-CG1 3.3Å; Y136-I140 PolarHBondContact O-N 2.97Å; M137-I140 PolarHBondContact O-N 3.26Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 2.92Å; I140-A143 WeakPolarHBondContact O-CB 3.37Å; I140-A143 PolarHBondContact O-N 3.34Å; I140-L144 HydrophobicContact CG2-CD1 4.01Å; I140-L144 HydrophobicContact CG2-CG 4.21Å; I140-L144 PolarHBondContact O-N 3.39Å; I140-V162 HydrophobicContact CD1-CG1 4.1Å; I140-V162 HydrophobicContact CD1-CG2 4.27Å; I140-V162 HydrophobicContact CG1-CG1 4.06Å; I140-V162 HydrophobicContact CG1-CG2 4.34Å; I140-L171 HydrophobicContact CD1-CD1 4.34Å; I140-L171 HydrophobicContact CG1-CD1 3.69Å; I140-L171 HydrophobicContact CG1-CD2 3.94Å; I140-L171 HydrophobicContact CG1-CG 4.47Å; I140-L218 HydrophobicContact CB-CD1 4.28Å; I140-L218 HydrophobicContact CD1-CD1 4.4Å; I140-L218 HydrophobicContact CG2-CD1 3.73Å; I140-M221 HydrophobicContact CD1-CE 3.95Å
141	L	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-37.8	179.1	-78	168.7	0	0	0	112.5	M137 Y138 A143 L144 D145 M215 L218 F300 A315 A318 M319 F324	M137-L141 WeakPolarHBondContact O-CB 3.28Å; M137-L141 VanDerWaalsContact O-CG 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.21Å; M137-L141 PolarHBondContact O-N 3.25Å; Y138-L141 PolarHBondContact O-N 3.38Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 2.96Å; L141-L144 PolarHBondContact O-N 3Å; L141-D145 WeakPolarHBondContact O-CB 3.15Å; L141-D145 PolarHBondContact O-N 3.05Å; L141-M215 HydrophobicContact CD2-CE 3.77Å; L141-M215 HydrophobicContact CD2-SD 4.43Å; L141-L218 HydrophobicContact CD2-CD2 3.4Å; L141-L218 HydrophobicContact CG-CD2 3.92Å; L141-F300 HydrophobicContact CD1-CZ 4.28Å; L141-A315 HydrophobicContact CD2-CB 4.25Å; L141-A318 HydrophobicContact CD1-CB 3.91Å; L141-A318 HydrophobicContact CD2-CB 3.6Å; L141-A318 HydrophobicContact CG-CB 4.44Å; L141-M319 HydrophobicContact CB-CG 3.55Å; L141-M319 HydrophobicContact CB-SD 4.13Å; L141-M319 HydrophobicContact CD1-CG 4.01Å; L141-M319 HydrophobicContact CG-CG 4.31Å; L141-F324 HydrophobicContact CD1-CD2 4.43Å; L141-F324 HydrophobicContact CD1-CE1 4.39Å; L141-F324 HydrophobicContact CD1-CE2 3.58Å; L141-F324 HydrophobicContact CD1-CZ 3.54Å
142	K	98.8	Very high	98.6	Very high	44 Å²	44	14.1 Å²	14.1	19%	0.191	7%	0.066	C	C	.	.	H	α-helix	trans	-57.5	-42.5	171.8	-71.3	173.9	-175.3	172.2	0	113	P92 Y138 E139 I140 Y146 M319	P92-K142 HydrophobicContact CB-CB 4.31Å; P92-K142 HydrophobicContact CG-CB 4.47Å; Y138-K142 VanDerWaalsContact CE1-CE 3.45Å; Y138-K142 PolarHBondContact O-N 3.43Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; E139-K142 WeakPolarHBondContact OE1-CE 3.48Å; E139-K142 IonicContact OE1-NZ 3.2Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-K142 WeakPolarHBondContact OE2-CD 3.44Å; E139-K142 IonicContact OE2-NZ 3.89Å; E139-K142 PolarHBondContact OE2-NZ 3.43Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 2.92Å; K142-Y146 VanDerWaalsContact O-CB 3.26Å; K142-Y146 WeakPolarHBondContact O-CB 3.4Å; K142-Y146 PolarHBondContact O-N 3.21Å; K142-Y146 VanDerWaalsContact O-N 3.11Å; K142-M319 HydrophobicContact CG-CE 3.66Å; K142-M319 HydrophobicContact CG-SD 4.43Å
143	A	98.9	Very high	98.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.4	-38.2	178.2	0	0	0	0	0	111.9	P92 N93 I94 I140 L141 C147 L173	P92-A143 WeakPolarHBondContact O-CA 3.12Å; N93-A143 HydrophobicContact CB-CB 4.19Å; I94-A143 HydrophobicContact CD1-CB 3.96Å; I140-A143 WeakPolarHBondContact O-CB 3.37Å; I140-A143 PolarHBondContact O-N 3.34Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 2.96Å; A143-C147 PolarHBondContact O-N 3.02Å; A143-C147 PolarHBondContact O-SG 2.72Å; A143-L173 HydrophobicContact CB-CB 4.09Å; A143-L173 HydrophobicContact CB-CD2 4.06Å
144	L	98.9	Very high	98.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-71	-48.9	177.7	-64.4	-179.8	0	0	0	112.1	I140 L141 Y146 C147 H148 V157 L173 D214 M215 L218 A315	I140-L144 HydrophobicContact CG2-CD1 4.01Å; I140-L144 HydrophobicContact CG2-CG 4.21Å; I140-L144 PolarHBondContact O-N 3.39Å; L141-L144 PolarHBondContact O-N 3Å; L144-Y146 PolarHBondContact O-N 3.4Å; L144-C147 PolarHBondContact O-N 2.88Å; L144-C147 PolarHBondContact O-SG 3.08Å; L144-C147 VanDerWaalsContact O-SG 3.34Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.41Å; L144-H148 PolarHBondContact O-CD2 3.31Å; L144-H148 PolarHBondContact O-N 3.37Å; L144-V157 HydrophobicContact CD2-CG2 3.81Å; L144-L173 HydrophobicContact CD2-CD2 3.81Å; L144-D214 HydrophobicContact CD1-CB 4.43Å; L144-D214 HydrophobicContact CD2-CB 4.13Å; L144-M215 HydrophobicContact CD1-SD 4.33Å; L144-L218 HydrophobicContact CD1-CB 4.48Å; L144-L218 HydrophobicContact CD1-CD2 4.11Å; L144-A315 HydrophobicContact CB-CB 4.1Å
145	D	98.9	Very high	98.7	Very high	10 Å²	10	12.5 Å²	12.5	5%	0.053	6%	0.059	C	C	.	.	H	α-helix	trans	-59.8	-37.5	177.5	-160.3	57.1	0	0	0	111.5	Y12 L141 S149 A315 R316 M319	Y12-D145 PolarHBondContact OH-OD1 3.08Å; L141-D145 WeakPolarHBondContact O-CB 3.15Å; L141-D145 PolarHBondContact O-N 3.05Å; D145-S149 VanDerWaalsContact O-CB 3.23Å; D145-S149 WeakPolarHBondContact O-CB 3.36Å; D145-S149 PolarHBondContact O-N 3.47Å; D145-S149 PolarHBondContact O-OG 3.01Å; D145-A315 HydrophobicContact CB-CB 3.62Å; D145-R316 WeakPolarHBondContact OD1-CB 3.32Å; D145-R316 PolarHBondContact OD1-N 2.86Å; D145-R316 IonicContact OD2-CZ 3.5Å; D145-R316 VanDerWaalsContact OD2-CZ 3.26Å; D145-R316 IonicContact OD2-NE 3.36Å; D145-R316 PolarHBondContact OD2-NE 3.47Å; D145-R316 IonicContact OD2-NH2 2.74Å; D145-R316 PolarHBondContact OD2-NH2 2.7Å; D145-M319 HydrophobicContact CB-SD 4.31Å
146	Y	98.9	Very high	98.7	Very high	57 Å²	57	11.5 Å²	11.5	22%	0.224	5%	0.054	C	C	.	.	H	α-helix	trans	-65.4	-50.9	173.1	-176.4	-100.5	0	0	0	112.6	L88 P92 I94 K142 L144 H148 S149 M150	L88-Y146 HydrophobicContact CB-CE1 4.23Å; L88-Y146 HydrophobicContact CD2-CD1 3.97Å; L88-Y146 HydrophobicContact CD2-CE1 3.72Å; P92-Y146 HydrophobicContact CG-CD2 4.31Å; P92-Y146 HydrophobicContact CG-CG 4.13Å; I94-Y146 HydrophobicContact CD1-CD1 4.14Å; I94-Y146 HydrophobicContact CG1-CD1 3.84Å; I94-Y146 HydrophobicContact CG1-CE1 4.24Å; K142-Y146 VanDerWaalsContact O-CB 3.26Å; K142-Y146 WeakPolarHBondContact O-CB 3.4Å; K142-Y146 PolarHBondContact O-N 3.21Å; K142-Y146 VanDerWaalsContact O-N 3.11Å; L144-Y146 PolarHBondContact O-N 3.4Å; Y146-H148 PolarHBondContact O-N 2.91Å; Y146-S149 PolarHBondContact O-N 2.82Å; Y146-S149 PolarHBondContact O-OG 3.28Å; Y146-M150 HydrophobicContact CD1-CG 4.38Å; Y146-M150 HydrophobicContact CD2-CG 4.44Å; Y146-M150 HydrophobicContact CE1-CG 4.01Å; Y146-M150 HydrophobicContact CE2-CG 4.09Å; Y146-M150 WeakPolarHBondContact O-CB 3.46Å; Y146-M150 VanDerWaalsContact O-CG 3.24Å; Y146-M150 WeakPolarHBondContact O-CG 3.43Å; Y146-M150 PolarHBondContact O-N 3.11Å
147	C	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68.6	-35.6	-179	74.5	0	0	0	0	112.7	L88 A143 L144 M150 G151 I152 W176	L88-C147 HydrophobicContact CD1-CB 3.83Å; L88-C147 HydrophobicContact CD2-CB 3.92Å; A143-C147 PolarHBondContact O-N 3.02Å; A143-C147 PolarHBondContact O-SG 2.72Å; L144-C147 PolarHBondContact O-N 2.88Å; L144-C147 PolarHBondContact O-SG 3.08Å; L144-C147 VanDerWaalsContact O-SG 3.34Å; C147-M150 CarbonylContact O-C 3.57Å; C147-M150 PolarHBondContact O-N 2.83Å; C147-G151 PolarHBondContact O-N 3.44Å; C147-G151 VanDerWaalsContact O-N 3.15Å; C147-I152 CarbonylContact C-O 3.51Å; C147-I152 VanDerWaalsContact C-O 3.25Å; C147-I152 HydrophobicContact CB-CB 4.5Å; C147-I152 PolarHBondContact O-N 3Å; C147-I152 VanDerWaalsContact O-O 3.09Å; C147-W176 HydrophobicContact CB-CH2 3.54Å; C147-W176 HydrophobicContact CB-CZ3 3.65Å
148	H	98.9	Very high	98.7	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-63.2	-45.8	174.2	-63.3	176.8	0	0	0	111.1	Y12 L144 Y146 M150 G151 I152 Y211 D214	Y12-H148 WeakPolarHBondContact CB-O 3.33Å; Y12-H148 VanDerWaalsContact CD2-C 3.47Å; Y12-H148 HydrophobicContact CD2-CB 3.88Å; Y12-H148 HydrophobicContact CE2-CB 4.1Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.41Å; L144-H148 PolarHBondContact O-CD2 3.31Å; L144-H148 PolarHBondContact O-N 3.37Å; Y146-H148 PolarHBondContact O-N 2.91Å; H148-M150 VanDerWaalsContact C-N 3.27Å; H148-M150 PolarHBondContact O-N 3.34Å; H148-G151 PolarHBondContact O-N 2.74Å; H148-I152 PolarHBondContact CD2-O 2.92Å; H148-Y211 HydrophobicContact CB-CD1 3.88Å; H148-Y211 HydrophobicContact CB-CE1 4.38Å; H148-Y211 HydrophobicContact CB-CG 4.11Å; H148-Y211 AromaticContact CD2-CD1 3.7Å; H148-Y211 PolarHBondContact CE1-O 3.4Å; H148-Y211 AromaticContact CG-CD1 3.84Å; H148-Y211 AromaticContact CG-CG 3.99Å; H148-D214 IonicContact CD2-OD2 2.97Å; H148-D214 IonicContact CE1-OD2 3.44Å; H148-D214 IonicContact NE2-OD2 3.17Å; H148-D214 PolarHBondContact NE2-OD2 2.9Å
149	S	98.8	Very high	98.5	Very high	36 Å²	36	11.6 Å²	11.6	25%	0.252	6%	0.056	S	C	.	.	H	α-helix	trans	-66.4	-27.5	174.8	65.7	0	0	0	0	113.9	Y12 D145 Y146 G151	Y12-S149 VanDerWaalsContact CE1-CB 3.46Å; Y12-S149 VanDerWaalsContact CZ-CB 3.49Å; D145-S149 VanDerWaalsContact O-CB 3.23Å; D145-S149 WeakPolarHBondContact O-CB 3.36Å; D145-S149 PolarHBondContact O-N 3.47Å; D145-S149 PolarHBondContact O-OG 3.01Å; Y146-S149 PolarHBondContact O-N 2.82Å; Y146-S149 PolarHBondContact O-OG 3.28Å; S149-G151 PolarHBondContact O-N 3.17Å
150	M	98.9	Very high	98.2	Very high	29 Å²	29	17.6 Å²	17.6	14%	0.143	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	8.6	170.7	-67.8	-66.3	-82.9	0	0	113.2	R19 Y23 N87 L88 Y146 C147 H148	R19-M150 PolarHBondContact NH2-SD 3.47Å; R19-M150 VanDerWaalsContact NH2-SD 3.43Å; Y23-M150 WeakPolarHBondContact CE1-O 3.42Å; Y23-M150 HydrophobicContact CE2-CE 4.39Å; Y23-M150 WeakPolarHBondContact OH-CE 3.25Å; Y23-M150 PolarHBondContact OH-O 2.92Å; N87-M150 WeakPolarHBondContact O-CE 3.45Å; L88-M150 HydrophobicContact CD2-CB 3.54Å; L88-M150 HydrophobicContact CD2-CG 3.99Å; Y146-M150 HydrophobicContact CD1-CG 4.38Å; Y146-M150 HydrophobicContact CD2-CG 4.44Å; Y146-M150 HydrophobicContact CE1-CG 4.01Å; Y146-M150 HydrophobicContact CE2-CG 4.09Å; Y146-M150 WeakPolarHBondContact O-CB 3.46Å; Y146-M150 VanDerWaalsContact O-CG 3.24Å; Y146-M150 WeakPolarHBondContact O-CG 3.43Å; Y146-M150 PolarHBondContact O-N 3.11Å; C147-M150 CarbonylContact O-C 3.57Å; C147-M150 PolarHBondContact O-N 2.83Å; H148-M150 VanDerWaalsContact C-N 3.27Å; H148-M150 PolarHBondContact O-N 3.34Å
151	G	98.8	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	21.5	171.4	0	0	0	0	0	114.9	N16 C147 H148 S149 F181 Y182	N16-G151 PolarHBondContact ND2-O 3.39Å; C147-G151 PolarHBondContact O-N 3.44Å; C147-G151 VanDerWaalsContact O-N 3.15Å; H148-G151 PolarHBondContact O-N 2.74Å; S149-G151 PolarHBondContact O-N 3.17Å; G151-F181 CarbonylContact O-C 3.59Å; G151-F181 WeakPolarHBondContact O-CA 3.48Å; G151-Y182 PolarHBondContact O-N 2.91Å
152	I	98.9	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.5	-170.9	-68	156.7	0	0	0	110.5	I84 N87 L88 C147 H148 W176 A179 E180 F181	I84-I152 HydrophobicContact CB-CD1 4.47Å; I84-I152 HydrophobicContact CD1-CG2 4.11Å; I84-I152 HydrophobicContact CG1-CD1 4.16Å; I84-I152 HydrophobicContact CG1-CG1 4.31Å; I84-I152 HydrophobicContact CG1-CG2 4.34Å; I84-I152 HydrophobicContact CG2-CD1 4.24Å; I84-I152 HydrophobicContact CG2-CG2 3.91Å; N87-I152 HydrophobicContact CB-CD1 4.4Å; L88-I152 HydrophobicContact CD1-CD1 4.03Å; L88-I152 HydrophobicContact CD1-CG2 4.27Å; L88-I152 HydrophobicContact CD2-CD1 3.89Å; L88-I152 HydrophobicContact CG-CD1 3.81Å; C147-I152 CarbonylContact C-O 3.51Å; C147-I152 VanDerWaalsContact C-O 3.25Å; C147-I152 HydrophobicContact CB-CB 4.5Å; C147-I152 PolarHBondContact O-N 3Å; C147-I152 VanDerWaalsContact O-O 3.09Å; H148-I152 PolarHBondContact CD2-O 2.92Å; I152-W176 HydrophobicContact CG2-CE3 4.34Å; I152-W176 HydrophobicContact CG2-CZ3 4.12Å; I152-A179 HydrophobicContact CG2-CB 4.13Å; I152-E180 CarbonylContact C-O 3.05Å; I152-E180 WeakPolarHBondContact CA-O 3.46Å; I152-F181 HydrophobicContact CD1-CD1 4.28Å; I152-F181 HydrophobicContact CD1-CE1 3.76Å; I152-F181 HydrophobicContact CD1-CZ 4.27Å; I152-F181 HydrophobicContact CG1-CD1 3.71Å; I152-F181 HydrophobicContact CG1-CE1 3.72Å; I152-F181 HydrophobicContact CG1-CG 4.4Å; I152-F181 HydrophobicContact CG1-CZ 4.4Å
153	M	98.9	Very high	97.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.1	169.4	-56.6	174.9	-80.2	0	0	109.4	R155 A179 E180 Y182 Y188 Y209 Y211	M153-R155 HydrophobicContact CB-CG 3.64Å; M153-A179 CarbonylContact O-C 3.5Å; M153-A179 WeakPolarHBondContact O-CA 3.34Å; M153-A179 WeakPolarHBondContact O-CB 3.41Å; M153-E180 HydrophobicContact CE-CB 4.32Å; M153-E180 PolarHBondContact N-O 3.45Å; M153-E180 PolarHBondContact O-N 3.13Å; M153-Y182 HydrophobicContact CE-CD2 4.06Å; M153-Y182 HydrophobicContact SD-CD2 4.1Å; M153-Y188 HydrophobicContact CE-CD1 3.97Å; M153-Y188 HydrophobicContact CE-CD2 4.28Å; M153-Y188 HydrophobicContact CE-CE1 3.61Å; M153-Y188 HydrophobicContact CE-CE2 3.98Å; M153-Y188 HydrophobicContact CE-CG 4.3Å; M153-Y209 HydrophobicContact CE-CE2 4.47Å; M153-Y209 HydrophobicContact SD-CD2 4.13Å; M153-Y209 HydrophobicContact SD-CE2 4.15Å; M153-Y211 HydrophobicContact CG-CD1 3.67Å; M153-Y211 HydrophobicContact CG-CE1 4.2Å; M153-Y211 HydrophobicContact CG-CG 4.38Å
154	H	98.9	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.			trans	-78.4	-43.2	178.9	-172.7	-105.2	0	0	0	112.4	D156 V157 I174 W176 L178 A179 D214	H154-D156 PolarHBondContact CE1-O 2.95Å; H154-D156 PolarHBondContact O-N 2.87Å; H154-D156 VanDerWaalsContact O-N 3.12Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 WeakPolarHBondContact ND1-CG2 3.27Å; H154-V157 PolarHBondContact ND1-N 3.15Å; H154-I174 PolarHBondContact CE1-O 3.04Å; H154-I174 PolarHBondContact NE2-O 3.06Å; H154-I174 VanDerWaalsContact NE2-O 3.15Å; H154-W176 HydrophobicContact CB-CZ3 4.26Å; H154-W176 AromaticContact CD2-CD2 3.64Å; H154-W176 AromaticContact CD2-CE2 3.82Å; H154-W176 AromaticContact CD2-CE3 3.56Å; H154-W176 AromaticContact CD2-CH2 3.81Å; H154-W176 AromaticContact CD2-CZ2 3.91Å; H154-W176 AromaticContact CD2-CZ3 3.65Å; H154-L178 CarbonylContact O-C 3.55Å; H154-A179 WeakPolarHBondContact O-CA 3.35Å; H154-A179 PolarHBondContact O-N 3.26Å; H154-D214 PolarHBondContact N-OD2 3.31Å
155	R	98.8	Very high	97.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.015	9%	0.094	C	C	.	.	S	Bend	trans	59.2	15.5	174.7	-45.5	-167.3	-57.3	-170.7	-7.4	116.8	M153 L178 E180 V192 A193 Y209 L213 D214	M153-R155 HydrophobicContact CB-CG 3.64Å; R155-L178 VanDerWaalsContact CZ-O 3.29Å; R155-L178 PolarHBondContact NE-O 2.99Å; R155-L178 PolarHBondContact NH2-O 3.08Å; R155-E180 IonicContact CZ-OE2 3.79Å; R155-E180 IonicContact NH1-OE2 3.58Å; R155-E180 PolarHBondContact NH1-OE2 3.34Å; R155-E180 IonicContact NH2-OE2 3.31Å; R155-E180 PolarHBondContact NH2-OE2 2.82Å; R155-V192 HydrophobicContact CB-CB 4.21Å; R155-V192 HydrophobicContact CB-CG2 4.07Å; R155-A193 WeakPolarHBondContact O-CA 3.49Å; R155-A193 WeakPolarHBondContact O-CB 3.27Å; R155-A193 PolarHBondContact O-N 3.06Å; R155-Y209 WeakPolarHBondContact CD-OH 3.41Å; R155-Y209 HydrophobicContact CG-CE2 4.46Å; R155-Y209 PolarHBondContact NH1-OH 3.5Å; R155-L213 HydrophobicContact CB-CD2 4.14Å; R155-L213 HydrophobicContact CG-CD2 4.07Å; R155-D214 WeakPolarHBondContact CA-OD1 3.35Å; R155-D214 PolarHBondContact N-OD1 3.22Å
156	D	98.4	Very high	97.3	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.027	10%	0.104	C	C	.	.			trans	-153.6	40.4	171	-160.9	25.9	0	0	0	111.1	H154 K158 N161 L178 A193 S194	H154-D156 PolarHBondContact CE1-O 2.95Å; H154-D156 PolarHBondContact O-N 2.87Å; H154-D156 VanDerWaalsContact O-N 3.12Å; D156-K158 PolarHBondContact O-N 3.24Å; D156-K158 IonicContact OD1-NZ 2.67Å; D156-K158 PolarHBondContact OD1-NZ 2.93Å; D156-K158 IonicContact OD2-NZ 2.75Å; D156-K158 PolarHBondContact OD2-NZ 3.22Å; D156-N161 PolarHBondContact O-ND2 3.42Å; D156-N161 PolarHBondContact OD2-ND2 3.02Å; D156-L178 HydrophobicContact CB-CB 4.07Å; D156-L178 HydrophobicContact CB-CD1 3.89Å; D156-A193 WeakPolarHBondContact OD1-CA 3.46Å; D156-S194 PolarHBondContact OD1-N 2.77Å
157	V	98.5	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.			trans	-67	121.2	173	179.1	0	0	0	0	108.7	L144 H154 D214 S217 M221	L144-V157 HydrophobicContact CD2-CG2 3.81Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 WeakPolarHBondContact ND1-CG2 3.27Å; H154-V157 PolarHBondContact ND1-N 3.15Å; V157-D214 HydrophobicContact CG2-CB 3.93Å; V157-S217 WeakPolarHBondContact O-CB 3.4Å; V157-M221 HydrophobicContact CG1-SD 3.96Å
158	K	96.5	Very high	96.9	Very high	26 Å²	26	31.4 Å²	31.4	11%	0.113	15%	0.153	C	C	.	.	S	Bend	trans	-166.6	163	180	66	-165	177.5	-152.9	0	109.2	D156 H160 N161 S194 F197 M221	D156-K158 PolarHBondContact O-N 3.24Å; D156-K158 IonicContact OD1-NZ 2.67Å; D156-K158 PolarHBondContact OD1-NZ 2.93Å; D156-K158 IonicContact OD2-NZ 2.75Å; D156-K158 PolarHBondContact OD2-NZ 3.22Å; K158-H160 VanDerWaalsContact C-N 3.29Å; K158-H160 HydrophobicContact CG-CB 4.41Å; K158-H160 PolarHBondContact O-N 3.12Å; K158-N161 VanDerWaalsContact CE-CG 3.5Å; K158-N161 WeakPolarHBondContact CE-ND2 3.42Å; K158-N161 VanDerWaalsContact CE-OD1 3.25Å; K158-N161 WeakPolarHBondContact CE-OD1 3.43Å; K158-N161 HydrophobicContact CG-CB 4.07Å; K158-N161 PolarHBondContact O-N 3.26Å; K158-S194 WeakPolarHBondContact CD-OG 3.4Å; K158-S194 PolarHBondContact NZ-OG 3.04Å; K158-F197 HydrophobicContact CB-CD1 4.21Å; K158-F197 HydrophobicContact CB-CD2 3.62Å; K158-F197 HydrophobicContact CB-CE1 4.34Å; K158-F197 HydrophobicContact CB-CE2 3.75Å; K158-F197 HydrophobicContact CB-CG 3.88Å; K158-F197 HydrophobicContact CB-CZ 4.13Å; K158-M221 VanDerWaalsContact C-SD 3.54Å; K158-M221 VanDerWaalsContact CA-SD 3.59Å
159	P	94.8	Very high	96.7	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.052	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-60.5	-34.4	-174.9	-23.2	32.5	0	0	0	114.8	F121 N161 V162 F197 M221	F121-P159 HydrophobicContact CB-CB 4.3Å; F121-P159 HydrophobicContact CD1-CB 3.33Å; F121-P159 HydrophobicContact CD1-CG 4.11Å; F121-P159 HydrophobicContact CD2-CB 3.82Å; F121-P159 HydrophobicContact CE1-CB 3.42Å; F121-P159 VanDerWaalsContact CE1-CB 3.42Å; F121-P159 HydrophobicContact CE1-CG 3.74Å; F121-P159 HydrophobicContact CE2-CB 3.91Å; F121-P159 HydrophobicContact CG-CB 3.54Å; F121-P159 HydrophobicContact CZ-CB 3.72Å; F121-P159 HydrophobicContact CZ-CG 4.01Å; P159-N161 PolarHBondContact O-N 3.02Å; P159-V162 PolarHBondContact O-N 3.32Å; P159-V162 VanDerWaalsContact O-N 3.12Å; P159-F197 HydrophobicContact CG-CE1 4.38Å; P159-F197 HydrophobicContact CG-CZ 4.1Å; P159-M221 HydrophobicContact CB-CE 4.34Å; P159-M221 HydrophobicContact CG-CE 4.07Å; P159-M221 HydrophobicContact CG-CG 4.02Å; P159-M221 HydrophobicContact CG-SD 4.31Å
160	H	93	Very high	96.6	Very high	142 Å²	142	39.4 Å²	39.4	66%	0.657	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-66.6	-15.7	176.8	-68.8	45	0	0	0	113.7	K158	K158-H160 VanDerWaalsContact C-N 3.29Å; K158-H160 HydrophobicContact CG-CB 4.41Å; K158-H160 PolarHBondContact O-N 3.12Å
161	N	96	Very high	96.5	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.048	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-103.8	9.9	177.9	-71.3	8.4	0	0	0	112	D156 K158 P159 I174	D156-N161 PolarHBondContact O-ND2 3.42Å; D156-N161 PolarHBondContact OD2-ND2 3.02Å; K158-N161 VanDerWaalsContact CE-CG 3.5Å; K158-N161 WeakPolarHBondContact CE-ND2 3.42Å; K158-N161 VanDerWaalsContact CE-OD1 3.25Å; K158-N161 WeakPolarHBondContact CE-OD1 3.43Å; K158-N161 HydrophobicContact CG-CB 4.07Å; K158-N161 PolarHBondContact O-N 3.26Å; P159-N161 PolarHBondContact O-N 3.02Å; N161-I174 HydrophobicContact CB-CG1 4.28Å; N161-I174 WeakPolarHBondContact CB-O 3.03Å; N161-I174 VanDerWaalsContact O-CG1 3.25Å; N161-I174 WeakPolarHBondContact O-CG1 3.42Å; N161-I174 PolarHBondContact O-N 3.08Å
162	V	96.3	Very high	96.5	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.1	176.6	177.7	0	0	0	0	108.3	I140 P159 I164 L171 L173 M221	I140-V162 HydrophobicContact CD1-CG1 4.1Å; I140-V162 HydrophobicContact CD1-CG2 4.27Å; I140-V162 HydrophobicContact CG1-CG1 4.06Å; I140-V162 HydrophobicContact CG1-CG2 4.34Å; P159-V162 PolarHBondContact O-N 3.32Å; P159-V162 VanDerWaalsContact O-N 3.12Å; V162-I164 HydrophobicContact CG1-CD1 4.15Å; V162-I164 HydrophobicContact CG1-CG1 4Å; V162-L171 HydrophobicContact CG1-CD1 3.6Å; V162-L171 HydrophobicContact CG1-CD2 4.06Å; V162-L171 HydrophobicContact CG1-CG 3.78Å; V162-L173 HydrophobicContact CG2-CD1 4.19Å; V162-M221 HydrophobicContact CG2-CE 4.12Å
163	M	95.6	Very high	96.5	Very high	52 Å²	52	40.5 Å²	40.5	26%	0.256	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.6	177.2	-66.7	-72	167.7	0	0	109.7	V116 N118 L171 R172 I174	V116-M163 HydrophobicContact CG1-CB 3.94Å; N118-M163 HydrophobicContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact OD1-CA 3.25Å; N118-M163 WeakPolarHBondContact OD1-CA 3.14Å; N118-M163 PolarHBondContact OD1-SD 3.09Å; N118-M163 VanDerWaalsContact OD1-SD 3.42Å; M163-L171 CarbonylContact O-C 3.57Å; M163-L171 WeakPolarHBondContact O-CA 3.31Å; M163-R172 HydrophobicContact CB-CB 4.35Å; M163-R172 PolarHBondContact N-O 2.92Å; M163-R172 PolarHBondContact O-N 2.99Å; M163-I174 HydrophobicContact CB-CG2 4.49Å; M163-I174 HydrophobicContact CE-CD1 3.46Å; M163-I174 VanDerWaalsContact CE-CD1 3.46Å; M163-I174 HydrophobicContact CE-CG1 4.48Å; M163-I174 HydrophobicContact CG-CD1 4.07Å; M163-I174 HydrophobicContact CG-CG1 4.22Å; M163-I174 HydrophobicContact CG-CG2 3.85Å
164	I	96.1	Very high	96.4	Very high	4 Å²	4	42 Å²	42	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.1	-176.1	-57.8	-179.9	0	0	0	110.7	N118 T119 F121 L124 Y136 V162 H166 K170 L171	N118-I164 WeakPolarHBondContact CA-O 3.35Å; N118-I164 PolarHBondContact OD1-N 2.95Å; T119-I164 PolarHBondContact N-O 3.29Å; F121-I164 HydrophobicContact CD2-CD1 4.44Å; L124-I164 HydrophobicContact CD2-CB 3.97Å; L124-I164 HydrophobicContact CD2-CD1 3.87Å; L124-I164 HydrophobicContact CD2-CG1 4.49Å; L124-I164 HydrophobicContact CD2-CG2 3.71Å; Y136-I164 HydrophobicContact CD1-CD1 4.14Å; Y136-I164 HydrophobicContact CD1-CG1 4.5Å; Y136-I164 HydrophobicContact CD1-CG2 4.05Å; Y136-I164 HydrophobicContact CE1-CG2 3.5Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.5Å; Y136-I164 HydrophobicContact CE2-CG2 4.33Å; Y136-I164 HydrophobicContact CG-CD1 4.1Å; V162-I164 HydrophobicContact CG1-CD1 4.15Å; V162-I164 HydrophobicContact CG1-CG1 4Å; I164-H166 HydrophobicContact CG2-CB 4.36Å; I164-H166 PolarHBondContact O-N 2.9Å; I164-K170 WeakPolarHBondContact CA-O 3.38Å; I164-L171 HydrophobicContact CD1-CD1 4.18Å; I164-L171 HydrophobicContact CG1-CD1 4.04Å; I164-L171 HydrophobicContact CG1-CG 4.35Å
165	D	95.4	Very high	96.3	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	96.6	161.8	-175.3	-34	0	0	0	106.9	N117 E167 H168 R169 K170	N117-D165 HydrophobicContact CB-CB 4.12Å; N117-D165 WeakPolarHBondContact CB-OD2 3.34Å; N117-D165 PolarHBondContact ND2-OD2 3.22Å; N117-D165 PolarHBondContact O-N 2.95Å; D165-E167 PolarHBondContact OD1-N 3.11Å; D165-H168 VanDerWaalsContact CG-ND1 3.28Å; D165-H168 WeakPolarHBondContact OD1-CB 3.45Å; D165-H168 IonicContact OD1-CG 3.59Å; D165-H168 PolarHBondContact OD1-N 3.45Å; D165-H168 IonicContact OD1-ND1 2.78Å; D165-H168 PolarHBondContact OD1-ND1 3.42Å; D165-H168 IonicContact OD2-CE1 3.52Å; D165-H168 IonicContact OD2-CG 2.72Å; D165-H168 IonicContact OD2-ND1 3.18Å; D165-H168 PolarHBondContact OD2-ND1 3.35Å; D165-R169 CarbonylContact O-C 3.59Å; D165-R169 VanDerWaalsContact O-CA 3.27Å; D165-R169 WeakPolarHBondContact O-CA 3.4Å; D165-R169 PolarHBondContact O-N 2.87Å; D165-K170 HydrophobicContact CB-CB 4.26Å; D165-K170 PolarHBondContact N-O 3.1Å; D165-K170 PolarHBondContact O-N 2.95Å
166	H	94.9	Very high	96.3	Very high	56 Å²	56	44.3 Å²	44.3	26%	0.259	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.3	-173.6	-171.5	70.3	0	0	0	112.8	T119 L124 Y136 I164 R169	T119-H166 WeakPolarHBondContact OG1-CB 3.18Å; L124-H166 HydrophobicContact CD1-CB 4.2Å; L124-H166 WeakPolarHBondContact CD1-ND1 3.27Å; L124-H166 HydrophobicContact CD2-CB 4.5Å; Y136-H166 AromaticContact CE2-ND1 3.56Å; Y136-H166 AromaticContact CZ-ND1 3.67Å; Y136-H166 PolarHBondContact OH-ND1 3.34Å; Y136-H166 VanDerWaalsContact OH-ND1 3.08Å; I164-H166 HydrophobicContact CG2-CB 4.36Å; I164-H166 PolarHBondContact O-N 2.9Å; H166-R169 PolarHBondContact O-N 2.89Å
167	E	93.5	Very high	96.2	Very high	164 Å²	164	44 Å²	44	77%	0.766	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-49	177.7	178.8	176.7	-149.2	0	0	111	D165 R169	D165-E167 PolarHBondContact OD1-N 3.11Å; E167-R169 VanDerWaalsContact C-N 3.32Å
168	H	95.3	Very high	96.1	Very high	103 Å²	103	45.7 Å²	45.7	48%	0.477	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.2	179.2	-55.9	85	0	0	0	113.3	D165 K170	D165-H168 VanDerWaalsContact CG-ND1 3.28Å; D165-H168 WeakPolarHBondContact OD1-CB 3.45Å; D165-H168 IonicContact OD1-CG 3.59Å; D165-H168 PolarHBondContact OD1-N 3.45Å; D165-H168 IonicContact OD1-ND1 2.78Å; D165-H168 PolarHBondContact OD1-ND1 3.42Å; D165-H168 IonicContact OD2-CE1 3.52Å; D165-H168 IonicContact OD2-CG 2.72Å; D165-H168 IonicContact OD2-ND1 3.18Å; D165-H168 PolarHBondContact OD2-ND1 3.35Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 HydrophobicContact CB-CD 4.43Å; H168-K170 HydrophobicContact CB-CG 4.19Å; H168-K170 WeakPolarHBondContact O-CG 3.49Å; H168-K170 PolarHBondContact O-N 3.44Å
169	R	94.5	Very high	96.2	Very high	81 Å²	81	44.5 Å²	44.5	31%	0.306	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.9	-175.3	-54.2	-171.4	68.2	84.9	0.9	114.3	D132 F135 D165 H166 E167	D132-R169 IonicContact OD1-CZ 3.68Å; D132-R169 IonicContact OD1-NH1 3.53Å; D132-R169 PolarHBondContact OD1-NH1 2.91Å; D132-R169 IonicContact OD1-NH2 2.71Å; D132-R169 PolarHBondContact OD1-NH2 3.42Å; F135-R169 HydrophobicContact CE1-CB 3.84Å; F135-R169 WeakPolarHBondContact CE1-O 3.34Å; F135-R169 VanDerWaalsContact CG-NH2 3.28Å; F135-R169 HydrophobicContact CZ-CB 3.9Å; D165-R169 CarbonylContact O-C 3.59Å; D165-R169 VanDerWaalsContact O-CA 3.27Å; D165-R169 WeakPolarHBondContact O-CA 3.4Å; D165-R169 PolarHBondContact O-N 2.87Å; H166-R169 PolarHBondContact O-N 2.89Å; E167-R169 VanDerWaalsContact C-N 3.32Å
170	K	96.4	Very high	96.4	Very high	126 Å²	126	45 Å²	45	55%	0.548	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.7	-179.8	-61.9	-173.7	-177.9	174.8	0	111.8	I164 D165 H168	I164-K170 WeakPolarHBondContact CA-O 3.38Å; D165-K170 HydrophobicContact CB-CB 4.26Å; D165-K170 PolarHBondContact N-O 3.1Å; D165-K170 PolarHBondContact O-N 2.95Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 HydrophobicContact CB-CD 4.43Å; H168-K170 HydrophobicContact CB-CG 4.19Å; H168-K170 WeakPolarHBondContact O-CG 3.49Å; H168-K170 PolarHBondContact O-N 3.44Å
171	L	97.5	Very high	96.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.8	-178.4	-170.9	142.2	0	0	0	111.3	N93 Y136 E139 I140 V162 M163 I164	N93-L171 HydrophobicContact CB-CD2 4.06Å; N93-L171 PolarHBondContact OD1-O 3.35Å; Y136-L171 HydrophobicContact CD1-CD1 3.82Å; Y136-L171 HydrophobicContact CG-CD1 4.41Å; E139-L171 HydrophobicContact CB-CB 4.16Å; E139-L171 HydrophobicContact CB-CD1 4.22Å; I140-L171 HydrophobicContact CD1-CD1 4.34Å; I140-L171 HydrophobicContact CG1-CD1 3.69Å; I140-L171 HydrophobicContact CG1-CD2 3.94Å; I140-L171 HydrophobicContact CG1-CG 4.47Å; V162-L171 HydrophobicContact CG1-CD1 3.6Å; V162-L171 HydrophobicContact CG1-CD2 4.06Å; V162-L171 HydrophobicContact CG1-CG 3.78Å; M163-L171 CarbonylContact O-C 3.57Å; M163-L171 WeakPolarHBondContact O-CA 3.31Å; I164-L171 HydrophobicContact CD1-CD1 4.18Å; I164-L171 HydrophobicContact CG1-CD1 4.04Å; I164-L171 HydrophobicContact CG1-CG 4.35Å
172	R	98.3	Very high	96.8	Very high	51 Å²	51	38 Å²	38	19%	0.192	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.1	170.2	-69.3	-64.5	-168.8	-89	-4	112.2	N93 I94 I95 E114 V116 M163 I174	N93-R172 CarbonylContact O-C 3.56Å; N93-R172 WeakPolarHBondContact O-CA 3.47Å; I94-R172 VanDerWaalsContact O-CD 3.23Å; I94-R172 WeakPolarHBondContact O-CD 3.41Å; I94-R172 PolarHBondContact O-NE 3.28Å; I95-R172 HydrophobicContact CD1-CB 4.19Å; I95-R172 HydrophobicContact CD1-CG 4.15Å; E114-R172 VanDerWaalsContact CD-NE 3.35Å; E114-R172 IonicContact OE1-CZ 3.66Å; E114-R172 IonicContact OE1-NE 3.49Å; E114-R172 PolarHBondContact OE1-NE 3.25Å; E114-R172 IonicContact OE1-NH2 3.59Å; E114-R172 IonicContact OE2-CZ 3.82Å; E114-R172 IonicContact OE2-NE 3.62Å; E114-R172 PolarHBondContact OE2-NE 2.74Å; E114-R172 IonicContact OE2-NH2 2.72Å; E114-R172 PolarHBondContact OE2-NH2 3.2Å; V116-R172 HydrophobicContact CG1-CB 4.44Å; V116-R172 HydrophobicContact CG1-CG 4.11Å; V116-R172 HydrophobicContact CG2-CB 4.46Å; V116-R172 HydrophobicContact CG2-CG 3.87Å; M163-R172 HydrophobicContact CB-CB 4.35Å; M163-R172 PolarHBondContact N-O 2.92Å; M163-R172 PolarHBondContact O-N 2.99Å; R172-I174 HydrophobicContact CB-CG2 4.34Å
173	L	98.4	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.4	168.1	-177.2	59.3	0	0	0	109.9	N93 I95 A143 L144 V162 W176	N93-L173 PolarHBondContact O-N 3.36Å; I95-L173 WeakPolarHBondContact CG2-O 3.41Å; I95-L173 PolarHBondContact N-O 3.32Å; A143-L173 HydrophobicContact CB-CB 4.09Å; A143-L173 HydrophobicContact CB-CD2 4.06Å; L144-L173 HydrophobicContact CD2-CD2 3.81Å; V162-L173 HydrophobicContact CG2-CD1 4.19Å; L173-W176 HydrophobicContact CB-CZ2 4.15Å; L173-W176 HydrophobicContact CD2-CH2 3.79Å; L173-W176 HydrophobicContact CD2-CZ2 3.62Å; L173-W176 HydrophobicContact CG-CH2 4.38Å; L173-W176 HydrophobicContact CG-CZ2 3.74Å; L173-W176 PolarHBondContact O-NE1 2.93Å
174	I	97.7	Very high	97.1	Very high	33 Å²	33	38.9 Å²	38.9	17%	0.169	18%	0.18	C	C	.	.			trans	-123.3	171.3	-171.3	69.7	147.3	0	0	0	113.4	I95 H154 N161 M163 R172	I95-I174 HydrophobicContact CB-CG2 3.92Å; I95-I174 HydrophobicContact CD1-CG2 4.15Å; I95-I174 HydrophobicContact CG1-CG2 4.08Å; I95-I174 HydrophobicContact CG2-CB 4.47Å; I95-I174 HydrophobicContact CG2-CG2 4.24Å; H154-I174 PolarHBondContact CE1-O 3.04Å; H154-I174 PolarHBondContact NE2-O 3.06Å; H154-I174 VanDerWaalsContact NE2-O 3.15Å; N161-I174 HydrophobicContact CB-CG1 4.28Å; N161-I174 WeakPolarHBondContact CB-O 3.03Å; N161-I174 VanDerWaalsContact O-CG1 3.25Å; N161-I174 WeakPolarHBondContact O-CG1 3.42Å; N161-I174 PolarHBondContact O-N 3.08Å; M163-I174 HydrophobicContact CB-CG2 4.49Å; M163-I174 HydrophobicContact CE-CD1 3.46Å; M163-I174 VanDerWaalsContact CE-CD1 3.46Å; M163-I174 HydrophobicContact CE-CG1 4.48Å; M163-I174 HydrophobicContact CG-CD1 4.07Å; M163-I174 HydrophobicContact CG-CG1 4.22Å; M163-I174 HydrophobicContact CG-CG2 3.85Å; R172-I174 HydrophobicContact CB-CG2 4.34Å
175	D	96.4	Very high	97.2	Very high	50 Å²	50	40 Å²	40	27%	0.267	19%	0.194	S	C	.	.			trans	61.9	50.2	178.4	-156.9	12.2	0	0	0	115.9	K68 G177	K68-D175 IonicContact NZ-OD1 2.7Å; K68-D175 PolarHBondContact NZ-OD1 2.89Å; D175-G177 PolarHBondContact O-N 2.95Å
176	W	98.2	Very high	97.3	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.5	4.7	170.6	-61.5	84.1	0	0	0	115.3	I84 L85 L88 I94 C147 I152 H154 L173 L178 A179	I84-W176 HydrophobicContact CG2-CB 4.13Å; I84-W176 HydrophobicContact CG2-CD2 4.25Å; I84-W176 HydrophobicContact CG2-CE3 3.69Å; I84-W176 HydrophobicContact CG2-CG 4.44Å; L85-W176 HydrophobicContact CD2-CB 4.14Å; L85-W176 HydrophobicContact CD2-CG 3.88Å; L85-W176 HydrophobicContact CG-CB 4.24Å; L85-W176 HydrophobicContact CG-CG 4.46Å; L88-W176 HydrophobicContact CD1-CD2 4.15Å; L88-W176 HydrophobicContact CD1-CE3 3.55Å; L88-W176 HydrophobicContact CD1-CH2 3.69Å; L88-W176 HydrophobicContact CD1-CZ2 4.23Å; L88-W176 HydrophobicContact CD1-CZ3 3.3Å; I94-W176 HydrophobicContact CD1-CH2 3.82Å; I94-W176 HydrophobicContact CD1-CZ2 3.57Å; I94-W176 HydrophobicContact CG2-CZ2 4.09Å; C147-W176 HydrophobicContact CB-CH2 3.54Å; C147-W176 HydrophobicContact CB-CZ3 3.65Å; I152-W176 HydrophobicContact CG2-CE3 4.34Å; I152-W176 HydrophobicContact CG2-CZ3 4.12Å; H154-W176 HydrophobicContact CB-CZ3 4.26Å; H154-W176 AromaticContact CD2-CD2 3.64Å; H154-W176 AromaticContact CD2-CE2 3.82Å; H154-W176 AromaticContact CD2-CE3 3.56Å; H154-W176 AromaticContact CD2-CH2 3.81Å; H154-W176 AromaticContact CD2-CZ2 3.91Å; H154-W176 AromaticContact CD2-CZ3 3.65Å; L173-W176 HydrophobicContact CB-CZ2 4.15Å; L173-W176 HydrophobicContact CD2-CH2 3.79Å; L173-W176 HydrophobicContact CD2-CZ2 3.62Å; L173-W176 HydrophobicContact CG-CH2 4.38Å; L173-W176 HydrophobicContact CG-CZ2 3.74Å; L173-W176 PolarHBondContact O-NE1 2.93Å; W176-L178 PolarHBondContact O-N 2.82Å; W176-A179 HydrophobicContact CB-CB 4.37Å; W176-A179 HydrophobicContact CE3-CB 3.91Å; W176-A179 WeakPolarHBondContact O-CB 3.43Å; W176-A179 PolarHBondContact O-N 3.28Å
177	G	96.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.3	179.9	0	0	0	0	0	114.7	K77 E81 D175	K77-G177 VanDerWaalsContact NZ-C 3.32Å; K77-G177 PolarHBondContact NZ-O 3.42Å; E81-G177 WeakPolarHBondContact OE2-CA 3.42Å; D175-G177 PolarHBondContact O-N 2.95Å
178	L	97.3	Very high	97.7	Very high	35 Å²	35	38.4 Å²	38.4	18%	0.183	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-96.2	-6	172	-71.7	-178	0	0	0	114	H154 R155 D156 W176	H154-L178 CarbonylContact O-C 3.55Å; R155-L178 VanDerWaalsContact CZ-O 3.29Å; R155-L178 PolarHBondContact NE-O 2.99Å; R155-L178 PolarHBondContact NH2-O 3.08Å; D156-L178 HydrophobicContact CB-CB 4.07Å; D156-L178 HydrophobicContact CB-CD1 3.89Å; W176-L178 PolarHBondContact O-N 2.82Å
179	A	98.7	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.			trans	-62.8	162.7	178.2	0	0	0	0	0	112.8	R80 I84 I152 M153 H154 W176	R80-A179 PolarHBondContact NE-O 3.45Å; R80-A179 PolarHBondContact NH2-O 2.98Å; I84-A179 HydrophobicContact CD1-CB 3.67Å; I84-A179 HydrophobicContact CG2-CB 4.13Å; I152-A179 HydrophobicContact CG2-CB 4.13Å; M153-A179 CarbonylContact O-C 3.5Å; M153-A179 WeakPolarHBondContact O-CA 3.34Å; M153-A179 WeakPolarHBondContact O-CB 3.41Å; H154-A179 WeakPolarHBondContact O-CA 3.35Å; H154-A179 PolarHBondContact O-N 3.26Å; W176-A179 HydrophobicContact CB-CB 4.37Å; W176-A179 HydrophobicContact CE3-CB 3.91Å; W176-A179 WeakPolarHBondContact O-CB 3.43Å; W176-A179 PolarHBondContact O-N 3.28Å
180	E	98.8	Very high	98	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.089	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154	177.5	-155.5	87.4	-119.8	0	0	110.5	Y26 R80 I152 M153 R155 Y188	Y26-E180 PolarHBondContact OH-OE1 2.8Å; R80-E180 WeakPolarHBondContact CD-OE1 3.4Å; R80-E180 IonicContact CZ-OE1 2.87Å; R80-E180 IonicContact CZ-OE2 3.85Å; R80-E180 VanDerWaalsContact CZ-OE2 3.26Å; R80-E180 IonicContact NE-OE1 3.16Å; R80-E180 IonicContact NH1-OE1 3.21Å; R80-E180 PolarHBondContact NH1-OE1 3.29Å; R80-E180 IonicContact NH1-OE2 2.64Å; R80-E180 PolarHBondContact NH1-OE2 2.87Å; R80-E180 IonicContact NH2-OE2 2.65Å; I152-E180 CarbonylContact C-O 3.05Å; I152-E180 WeakPolarHBondContact CA-O 3.46Å; M153-E180 HydrophobicContact CE-CB 4.32Å; M153-E180 PolarHBondContact N-O 3.45Å; M153-E180 PolarHBondContact O-N 3.13Å; R155-E180 IonicContact CZ-OE2 3.79Å; R155-E180 IonicContact NH1-OE2 3.58Å; R155-E180 PolarHBondContact NH1-OE2 3.34Å; R155-E180 IonicContact NH2-OE2 3.31Å; R155-E180 PolarHBondContact NH2-OE2 2.82Å; E180-Y188 HydrophobicContact CG-CD1 4.17Å; E180-Y188 HydrophobicContact CG-CE1 4.17Å
181	F	98.8	Very high	98.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.3	164.4	-64.7	-85.8	0	0	0	110.4	Y23 W24 Y26 K83 I84 N87 G151 I152	Y23-F181 HydrophobicContact CD1-CD1 4.46Å; Y23-F181 HydrophobicContact CD1-CE1 4.08Å; Y23-F181 HydrophobicContact CE1-CD1 4.25Å; Y23-F181 AromaticContact CE1-CE1 3.85Å; Y23-F181 HydrophobicContact CE1-CE1 3.85Å; Y23-F181 WeakPolarHBondContact O-CZ 3.38Å; W24-F181 HydrophobicContact CB-CB 4.2Å; W24-F181 HydrophobicContact CB-CD1 3.72Å; W24-F181 HydrophobicContact CB-CD2 4.27Å; W24-F181 HydrophobicContact CB-CE1 4.15Å; W24-F181 HydrophobicContact CB-CG 3.79Å; Y26-F181 AromaticContact CD1-CD2 3.69Å; Y26-F181 HydrophobicContact CD1-CD2 3.69Å; Y26-F181 AromaticContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CE1-CD2 4.09Å; K83-F181 HydrophobicContact CG-CZ 4.26Å; I84-F181 HydrophobicContact CD1-CD2 4.43Å; I84-F181 HydrophobicContact CD1-CE2 4.19Å; I84-F181 HydrophobicContact CG1-CD2 4.27Å; I84-F181 HydrophobicContact CG1-CE2 3.59Å; I84-F181 HydrophobicContact CG1-CZ 3.74Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.37Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.34Å; G151-F181 CarbonylContact O-C 3.59Å; G151-F181 WeakPolarHBondContact O-CA 3.48Å; I152-F181 HydrophobicContact CD1-CD1 4.28Å; I152-F181 HydrophobicContact CD1-CE1 3.76Å; I152-F181 HydrophobicContact CD1-CZ 4.27Å; I152-F181 HydrophobicContact CG1-CD1 3.71Å; I152-F181 HydrophobicContact CG1-CE1 3.72Å; I152-F181 HydrophobicContact CG1-CG 4.4Å; I152-F181 HydrophobicContact CG1-CZ 4.4Å
182	Y	98.9	Very high	98	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.012	19%	0.191	C	C	.	.			trans	-89.9	126	172.9	-179.9	-97.1	0	0	0	111.4	A9 T13 N16 G151 M153 P184 Y188 D210 Y211	A9-Y182 HydrophobicContact CB-CD1 4.47Å; A9-Y182 HydrophobicContact CB-CE1 3.82Å; A9-Y182 PolarHBondContact N-OH 2.96Å; T13-Y182 HydrophobicContact CG2-CE1 4.49Å; T13-Y182 WeakPolarHBondContact O-CE1 3.24Å; N16-Y182 PolarHBondContact ND2-N 3.08Å; N16-Y182 PolarHBondContact ND2-O 2.99Å; G151-Y182 PolarHBondContact O-N 2.91Å; M153-Y182 HydrophobicContact CE-CD2 4.06Å; M153-Y182 HydrophobicContact SD-CD2 4.1Å; Y182-P184 HydrophobicContact CE1-CB 4.42Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.4Å; Y182-Y188 HydrophobicContact CD2-CE2 4.14Å; Y182-Y188 WeakPolarHBondContact CD2-OH 3.37Å; Y182-Y188 HydrophobicContact CE2-CE2 4.23Å; Y182-D210 HydrophobicContact CD2-CB 3.92Å; Y182-D210 HydrophobicContact CE2-CB 3.43Å; Y182-D210 VanDerWaalsContact CE2-CB 3.43Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.48Å; Y182-Y211 AromaticContact CD1-CE2 3.92Å; Y182-Y211 HydrophobicContact CD1-CE2 3.92Å; Y182-Y211 AromaticContact CD1-CZ 3.81Å; Y182-Y211 HydrophobicContact CE1-CE2 4.49Å; Y182-Y211 HydrophobicContact CG-CE1 4.24Å; Y182-Y211 HydrophobicContact CG-CE2 4.1Å; Y182-Y211 AromaticContact CG-CZ 3.8Å
183	H	98.7	Very high	97.9	Very high	35 Å²	35	37.7 Å²	37.7	16%	0.162	19%	0.187	C	C	.	.			trans	-121.9	138.4	168	-59.8	-86.3	0	0	0	110.1	W24 G185 Q186 Y188	W24-H183 AromaticContact CD2-CE1 3.49Å; W24-H183 VanDerWaalsContact CD2-CE1 3.49Å; W24-H183 AromaticContact CE3-CE1 3.73Å; W24-H183 AromaticContact CE3-NE2 3.94Å; W24-H183 AromaticContact CG-CE1 3.61Å; H183-G185 PolarHBondContact O-N 3.47Å; H183-Q186 HydrophobicContact CB-CB 4.13Å; H183-Q186 PolarHBondContact CD2-OE1 3.12Å; H183-Q186 PolarHBondContact O-N 3.37Å; H183-Y188 PolarHBondContact N-OH 3.45Å; H183-Y188 PolarHBondContact O-OH 3.19Å
184	P	98.5	Very high	97.8	Very high	37 Å²	37	39.9 Å²	39.9	24%	0.24	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	114.3	-173.7	26.1	-34.4	0	0	0	112.1	T13 Y182	T13-P184 HydrophobicContact CG2-CB 4.34Å; Y182-P184 HydrophobicContact CE1-CB 4.42Å
185	G	97.8	Very high	97.8	Very high	29 Å²	29	42.3 Å²	42.3	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	8.8	-179.1	0	0	0	0	0	115.3	R8 H183	R8-G185 VanDerWaalsContact NH1-CA 3.25Å; H183-G185 PolarHBondContact O-N 3.47Å
186	Q	98.3	Very high	97.9	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	21%	0.21	S	C	.	.			trans	-72.6	140	165.5	173.3	175.4	-24.2	0	0	110.5	H183 Y188	H183-Q186 HydrophobicContact CB-CB 4.13Å; H183-Q186 PolarHBondContact CD2-OE1 3.12Å; H183-Q186 PolarHBondContact O-N 3.37Å; Q186-Y188 HydrophobicContact CB-CE1 4.32Å; Q186-Y188 HydrophobicContact CB-CE2 4.28Å; Q186-Y188 HydrophobicContact CG-CD1 4.27Å; Q186-Y188 HydrophobicContact CG-CE1 3.81Å; Q186-Y188 HydrophobicContact CG-CE2 4.39Å; Q186-Y188 VanDerWaalsContact NE2-CE1 3.32Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.26Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.42Å
187	E	98.6	Very high	97.9	Very high	120 Å²	120	43.9 Å²	43.9	56%	0.561	21%	0.213	S	C	*	.			trans	-87.3	135.2	169.7	-67.9	176	147.8	0	0	110.6	Q207 M208	E187-Q207 HydrophobicContact CB-CB 3.93Å; E187-Q207 HydrophobicContact CG-CB 4.21Å; E187-M208 HydrophobicContact CG-CG 3.82Å
188	Y	98.5	Very high	98	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.02	22%	0.215	C	C	.	.			trans	-119.9	142.6	-178.1	-53.6	-85	0	0	0	111.9	M153 E180 Y182 H183 Q186 V190 Q207 Y209	M153-Y188 HydrophobicContact CE-CD1 3.97Å; M153-Y188 HydrophobicContact CE-CD2 4.28Å; M153-Y188 HydrophobicContact CE-CE1 3.61Å; M153-Y188 HydrophobicContact CE-CE2 3.98Å; M153-Y188 HydrophobicContact CE-CG 4.3Å; E180-Y188 HydrophobicContact CG-CD1 4.17Å; E180-Y188 HydrophobicContact CG-CE1 4.17Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.4Å; Y182-Y188 HydrophobicContact CD2-CE2 4.14Å; Y182-Y188 WeakPolarHBondContact CD2-OH 3.37Å; Y182-Y188 HydrophobicContact CE2-CE2 4.23Å; H183-Y188 PolarHBondContact N-OH 3.45Å; H183-Y188 PolarHBondContact O-OH 3.19Å; Q186-Y188 HydrophobicContact CB-CE1 4.32Å; Q186-Y188 HydrophobicContact CB-CE2 4.28Å; Q186-Y188 HydrophobicContact CG-CD1 4.27Å; Q186-Y188 HydrophobicContact CG-CE1 3.81Å; Q186-Y188 HydrophobicContact CG-CE2 4.39Å; Q186-Y188 VanDerWaalsContact NE2-CE1 3.32Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.26Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.42Å; Y188-V190 PolarHBondContact O-N 2.82Å; Y188-Q207 WeakPolarHBondContact CD2-O 3.34Å; Y188-Q207 PolarHBondContact N-O 3.17Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.24Å; Y188-Y209 HydrophobicContact CD2-CD2 4.41Å; Y188-Y209 HydrophobicContact CD2-CE2 4.33Å; Y188-Y209 VanDerWaalsContact CE2-O 3.31Å; Y188-Y209 WeakPolarHBondContact CE2-O 3.48Å; Y188-Y209 HydrophobicContact CG-CE2 4.29Å
189	N	97.8	Very high	98.1	Very high	100 Å²	100	42.7 Å²	42.7	54%	0.535	21%	0.206	S	C	.	.			trans	-59	122	175.1	-172.4	-27.3	0	0	0	111.4	R191 Y209	N189-R191 VanDerWaalsContact C-N 3.27Å; N189-R191 PolarHBondContact O-N 3.24Å; N189-R191 VanDerWaalsContact OD1-CB 3.23Å; N189-R191 WeakPolarHBondContact OD1-CB 3.46Å; N189-R191 WeakPolarHBondContact OD1-CG 3.48Å; N189-R191 PolarHBondContact OD1-N 3.21Å; N189-Y209 PolarHBondContact O-OH 2.86Å
190	V	98.3	Very high	98.1	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	21%	0.206	C	C	.	.	S	Bend	trans	-77.1	-7	-179.3	-62.7	0	0	0	0	114.6	Y188 V192 K198 L202 D205 Q207 Y209	Y188-V190 PolarHBondContact O-N 2.82Å; V190-V192 PolarHBondContact O-N 3.01Å; V190-K198 PolarHBondContact O-NZ 3.18Å; V190-L202 HydrophobicContact CB-CB 4.34Å; V190-L202 HydrophobicContact CB-CD2 4.03Å; V190-L202 HydrophobicContact CG1-CD2 4.09Å; V190-D205 HydrophobicContact CG2-CB 4.49Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.48Å; V190-Q207 HydrophobicContact CG1-CG 4.18Å; V190-Y209 HydrophobicContact CG1-CD1 4.49Å; V190-Y209 HydrophobicContact CG1-CE1 4.16Å
191	R	97.3	Very high	98.1	Very high	217 Å²	217	41.8 Å²	41.8	82%	0.819	20%	0.202	S	C	*	.			trans	-81.5	38.2	-178.6	-53.1	-177	-174.5	-173.6	2	112.5	N189	N189-R191 VanDerWaalsContact C-N 3.27Å; N189-R191 PolarHBondContact O-N 3.24Å; N189-R191 VanDerWaalsContact OD1-CB 3.23Å; N189-R191 WeakPolarHBondContact OD1-CB 3.46Å; N189-R191 WeakPolarHBondContact OD1-CG 3.48Å; N189-R191 PolarHBondContact OD1-N 3.21Å
192	V	97.3	Very high	98.1	Very high	7 Å²	7	42 Å²	42	4%	0.042	20%	0.203	C	C	.	.			trans	-106.8	173.7	173.4	-60.9	0	0	0	0	111.1	R155 V190 K198 L202 L213	R155-V192 HydrophobicContact CB-CB 4.21Å; R155-V192 HydrophobicContact CB-CG2 4.07Å; V190-V192 PolarHBondContact O-N 3.01Å; V192-K198 WeakPolarHBondContact O-CE 3.45Å; V192-K198 PolarHBondContact O-NZ 2.97Å; V192-L202 HydrophobicContact CG2-CD1 3.77Å; V192-L202 HydrophobicContact CG2-CD2 4.09Å; V192-L213 HydrophobicContact CG2-CD2 4.33Å
193	A	95.3	Very high	98.1	Very high	14 Å²	14	42.5 Å²	42.5	12%	0.116	21%	0.206	C	C	.	.	S	Bend	trans	58.6	146.7	-172.9	0	0	0	0	0	117.1	R155 D156 K198 L202	R155-A193 WeakPolarHBondContact O-CA 3.49Å; R155-A193 WeakPolarHBondContact O-CB 3.27Å; R155-A193 PolarHBondContact O-N 3.06Å; D156-A193 WeakPolarHBondContact OD1-CA 3.46Å; A193-K198 HydrophobicContact CB-CG 4.13Å; A193-L202 HydrophobicContact CB-CD1 4.16Å
194	S	95.7	Very high	98.1	Very high	46 Å²	46	41.1 Å²	41.1	32%	0.322	20%	0.2	S	C	.	.			trans	-60.7	138.4	162.5	-82.8	0	0	0	0	111.4	D156 K158 Y196 F197 K198	D156-S194 PolarHBondContact OD1-N 2.77Å; K158-S194 WeakPolarHBondContact CD-OG 3.4Å; K158-S194 PolarHBondContact NZ-OG 3.04Å; S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 3.39Å; S194-Y196 VanDerWaalsContact O-N 3.08Å; S194-F197 PolarHBondContact O-N 2.8Å; S194-K198 PolarHBondContact O-N 3.37Å
195	R	98.3	Very high	98.1	Very high	84 Å²	84	43.3 Å²	43.3	32%	0.317	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-40.7	-53	-171.8	-173.3	-163.8	-63.3	154	-4.7	114.9	F197 K198 G235 H236 D237 Q241	R195-F197 PolarHBondContact O-N 2.85Å; R195-F197 VanDerWaalsContact O-N 3.13Å; R195-K198 WeakPolarHBondContact O-CB 3.49Å; R195-K198 PolarHBondContact O-N 3.48Å; R195-G235 WeakPolarHBondContact CD-O 3.39Å; R195-G235 PolarHBondContact NH1-O 3.31Å; R195-H236 PolarHBondContact NH1-O 2.78Å; R195-H236 PolarHBondContact NH2-O 3.32Å; R195-D237 WeakPolarHBondContact CD-O 3.36Å; R195-Q241 HydrophobicContact CG-CB 4.19Å; R195-Q241 HydrophobicContact CG-CG 4.17Å
196	Y	98.4	Very high	98.1	Very high	67 Å²	67	42.1 Å²	42.1	26%	0.263	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67	-13.6	-173.4	-51.1	-44.3	0	0	0	114.7	S194 C220 P231 F233 H234 G235	S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 3.39Å; S194-Y196 VanDerWaalsContact O-N 3.08Å; Y196-C220 PolarHBondContact O-SG 2.87Å; Y196-P231 HydrophobicContact CD1-CB 4.32Å; Y196-P231 HydrophobicContact CD1-CG 3.93Å; Y196-P231 HydrophobicContact CD2-CB 3.77Å; Y196-P231 HydrophobicContact CD2-CG 3.64Å; Y196-P231 HydrophobicContact CE1-CG 4.14Å; Y196-P231 HydrophobicContact CE2-CB 4.46Å; Y196-P231 HydrophobicContact CE2-CG 3.85Å; Y196-P231 HydrophobicContact CG-CB 3.69Å; Y196-P231 HydrophobicContact CG-CG 3.69Å; Y196-F233 VanDerWaalsContact CD1-O 3.25Å; Y196-F233 WeakPolarHBondContact CD1-O 3.38Å; Y196-H234 AromaticContact CE1-CD2 3.76Å; Y196-H234 AromaticContact CZ-CD2 3.85Å; Y196-H234 PolarHBondContact OH-NE2 2.9Å; Y196-G235 WeakPolarHBondContact CE1-O 3.43Å
197	F	98.6	Very high	98.1	Very high	17 Å²	17	41.9 Å²	41.9	8%	0.075	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-111.8	0.2	-178.2	-54.8	-83.5	0	0	0	112.2	K158 P159 S194 R195 G199 S217 C220 M221	K158-F197 HydrophobicContact CB-CD1 4.21Å; K158-F197 HydrophobicContact CB-CD2 3.62Å; K158-F197 HydrophobicContact CB-CE1 4.34Å; K158-F197 HydrophobicContact CB-CE2 3.75Å; K158-F197 HydrophobicContact CB-CG 3.88Å; K158-F197 HydrophobicContact CB-CZ 4.13Å; P159-F197 HydrophobicContact CG-CE1 4.38Å; P159-F197 HydrophobicContact CG-CZ 4.1Å; S194-F197 PolarHBondContact O-N 2.8Å; R195-F197 PolarHBondContact O-N 2.85Å; R195-F197 VanDerWaalsContact O-N 3.13Å; F197-G199 PolarHBondContact O-N 2.86Å; F197-S217 PolarHBondContact O-OG 3.4Å; F197-S217 VanDerWaalsContact O-OG 3.05Å; F197-C220 HydrophobicContact CD1-CB 3.7Å; F197-C220 HydrophobicContact CE1-CB 4.11Å; F197-M221 HydrophobicContact CD1-CG 4.11Å; F197-M221 HydrophobicContact CE1-CG 3.71Å
198	K	98.8	Very high	98.1	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	17%	0.173	C	C	.	.			trans	-62.5	127.5	175.5	-75	-176.6	155.2	-68.5	0	111.2	V190 V192 A193 S194 R195 L202 L203 W216	V190-K198 PolarHBondContact O-NZ 3.18Å; V192-K198 WeakPolarHBondContact O-CE 3.45Å; V192-K198 PolarHBondContact O-NZ 2.97Å; A193-K198 HydrophobicContact CB-CG 4.13Å; S194-K198 PolarHBondContact O-N 3.37Å; R195-K198 WeakPolarHBondContact O-CB 3.49Å; R195-K198 PolarHBondContact O-N 3.48Å; K198-L202 HydrophobicContact CB-CB 4.3Å; K198-L202 HydrophobicContact CB-CD1 4.28Å; K198-L202 HydrophobicContact CG-CB 4.42Å; K198-L202 HydrophobicContact CG-CD1 4.1Å; K198-L203 HydrophobicContact CB-CD2 3.94Å; K198-L203 HydrophobicContact CB-CG 4.24Å; K198-L203 HydrophobicContact CD-CD2 3.64Å; K198-L203 HydrophobicContact CG-CD2 4.46Å; K198-W216 PolarHBondContact O-NE1 3.46Å
199	G	98.7	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.			trans	-64.1	150.2	165.2	0	0	0	0	0	111.9	F197 E201 L202	F197-G199 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact CA-OE2 3.26Å; G199-E201 WeakPolarHBondContact CA-OE2 3.42Å; G199-E201 PolarHBondContact O-N 3.27Å; G199-L202 WeakPolarHBondContact O-CB 3.25Å; G199-L202 PolarHBondContact O-N 2.68Å
200	P	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-48.6	-37.6	175.1	-30.8	37.3	0	0	0	114.2	L202 L203 V204 W216 L242 Y307	P200-L202 PolarHBondContact O-N 3.18Å; P200-L203 CarbonylContact O-C 3.52Å; P200-L203 WeakPolarHBondContact O-CA 3.23Å; P200-L203 WeakPolarHBondContact O-CB 3.34Å; P200-L203 PolarHBondContact O-N 3.1Å; P200-V204 WeakPolarHBondContact O-CG2 3.06Å; P200-V204 PolarHBondContact O-N 2.89Å; P200-W216 HydrophobicContact CG-CE3 4.26Å; P200-W216 HydrophobicContact CG-CH2 3.87Å; P200-W216 HydrophobicContact CG-CZ2 4.16Å; P200-W216 HydrophobicContact CG-CZ3 3.91Å; P200-L242 HydrophobicContact CB-CD1 4.29Å; P200-Y307 HydrophobicContact CB-CD1 3.81Å; P200-Y307 HydrophobicContact CB-CE1 4.41Å; P200-Y307 HydrophobicContact CG-CD1 3.62Å; P200-Y307 HydrophobicContact CG-CE1 4.12Å
201	E	98.8	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-52.7	-35.3	173.7	62.5	-86.4	-147.7	0	0	112.7	G199 L203 D205 Y206 Y209 L213 R312	G199-E201 VanDerWaalsContact CA-OE2 3.26Å; G199-E201 WeakPolarHBondContact CA-OE2 3.42Å; G199-E201 PolarHBondContact O-N 3.27Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.18Å; E201-D205 PolarHBondContact O-N 3.15Å; E201-Y206 HydrophobicContact CB-CD1 4.41Å; E201-Y206 PolarHBondContact O-N 3.36Å; E201-Y209 HydrophobicContact CG-CG 4.39Å; E201-L213 HydrophobicContact CG-CD1 4.48Å; E201-L213 WeakPolarHBondContact OE1-CA 3.11Å; E201-L213 WeakPolarHBondContact OE1-CD1 3.4Å; E201-R312 IonicContact OE1-CZ 2.99Å; E201-R312 IonicContact OE1-NH1 2.72Å; E201-R312 PolarHBondContact OE1-NH1 2.96Å; E201-R312 IonicContact OE1-NH2 3.2Å; E201-R312 IonicContact OE2-CZ 2.68Å; E201-R312 IonicContact OE2-NH1 2.75Å; E201-R312 PolarHBondContact OE2-NH1 3.3Å; E201-R312 IonicContact OE2-NH2 2.67Å; E201-R312 PolarHBondContact OE2-NH2 2.95Å
202	L	98.7	Very high	98.3	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-83.3	-5.8	177.6	-51.2	-173.2	0	0	0	114.2	V190 V192 A193 K198 G199 P200 Y209 L213	V190-L202 HydrophobicContact CB-CB 4.34Å; V190-L202 HydrophobicContact CB-CD2 4.03Å; V190-L202 HydrophobicContact CG1-CD2 4.09Å; V192-L202 HydrophobicContact CG2-CD1 3.77Å; V192-L202 HydrophobicContact CG2-CD2 4.09Å; A193-L202 HydrophobicContact CB-CD1 4.16Å; K198-L202 HydrophobicContact CB-CB 4.3Å; K198-L202 HydrophobicContact CB-CD1 4.28Å; K198-L202 HydrophobicContact CG-CB 4.42Å; K198-L202 HydrophobicContact CG-CD1 4.1Å; G199-L202 WeakPolarHBondContact O-CB 3.25Å; G199-L202 PolarHBondContact O-N 2.68Å; P200-L202 PolarHBondContact O-N 3.18Å; L202-Y209 HydrophobicContact CD2-CD1 3.76Å; L202-Y209 HydrophobicContact CD2-CE1 3.47Å; L202-Y209 VanDerWaalsContact CD2-CE1 3.47Å; L202-Y209 HydrophobicContact CD2-CG 4.43Å; L202-L213 HydrophobicContact CD1-CD1 3.58Å; L202-L213 HydrophobicContact CD1-CD2 3.99Å; L202-L213 HydrophobicContact CD1-CG 4.42Å; L202-L213 HydrophobicContact CD2-CD1 4.33Å; L202-L213 HydrophobicContact CD2-CD2 4.08Å; L202-L213 HydrophobicContact CG-CD1 3.77Å; L202-L213 HydrophobicContact CG-CD2 4.34Å
203	L	98.7	Very high	98.4	Very high	15 Å²	15	22.1 Å²	22.1	8%	0.079	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-26.3	-178.6	-56.8	176.4	0	0	0	111.4	K198 P200 E201 N238 Q241 L242 I245 F269	K198-L203 HydrophobicContact CB-CD2 3.94Å; K198-L203 HydrophobicContact CB-CG 4.24Å; K198-L203 HydrophobicContact CD-CD2 3.64Å; K198-L203 HydrophobicContact CG-CD2 4.46Å; P200-L203 CarbonylContact O-C 3.52Å; P200-L203 WeakPolarHBondContact O-CA 3.23Å; P200-L203 WeakPolarHBondContact O-CB 3.34Å; P200-L203 PolarHBondContact O-N 3.1Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.18Å; L203-N238 HydrophobicContact CD2-CB 4.18Å; L203-Q241 HydrophobicContact CD1-CB 4.19Å; L203-Q241 HydrophobicContact CD1-CG 3.85Å; L203-Q241 HydrophobicContact CD2-CB 4.26Å; L203-Q241 HydrophobicContact CD2-CG 4.28Å; L203-L242 HydrophobicContact CB-CB 4.25Å; L203-L242 HydrophobicContact CB-CD1 4.32Å; L203-L242 HydrophobicContact CD1-CB 4.06Å; L203-L242 HydrophobicContact CD1-CD1 4.13Å; L203-I245 HydrophobicContact CD1-CD1 3.7Å; L203-F269 WeakPolarHBondContact O-CE2 3.35Å; L203-F269 WeakPolarHBondContact O-CZ 3.46Å
204	V	98.6	Very high	98.6	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.036	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	13.3	173.4	-52.7	0	0	0	0	113.7	P200 Y206 L242 Y257 I263 L265	P200-V204 WeakPolarHBondContact O-CG2 3.06Å; P200-V204 PolarHBondContact O-N 2.89Å; V204-Y206 VanDerWaalsContact C-N 3.32Å; V204-Y206 PolarHBondContact O-N 2.85Å; V204-L242 HydrophobicContact CG1-CD2 3.63Å; V204-Y257 HydrophobicContact CG2-CE1 4.07Å; V204-I263 HydrophobicContact CB-CG2 4.03Å; V204-I263 HydrophobicContact CG2-CD1 3.83Å; V204-I263 HydrophobicContact CG2-CG2 3.9Å; V204-I263 WeakPolarHBondContact O-CG2 3.37Å; V204-L265 HydrophobicContact CB-CD1 4.18Å; V204-L265 HydrophobicContact CG1-CD1 3.73Å
205	D	98.4	Very high	98.7	Very high	83 Å²	83	19.3 Å²	19.3	44%	0.444	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.4	-179.8	-144.4	-17.8	0	0	0	115.4	V190 E201 Q207	V190-D205 HydrophobicContact CG2-CB 4.49Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.48Å; E201-D205 PolarHBondContact O-N 3.15Å; D205-Q207 WeakPolarHBondContact O-CG 3.5Å; D205-Q207 PolarHBondContact O-N 3.3Å; D205-Q207 PolarHBondContact OD1-NE2 2.89Å
206	Y	98.6	Very high	98.7	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.016	7%	0.073	C	C	.	.			trans	-80.8	106.2	173.7	-174.8	-98.6	0	0	0	110.7	P4 V5 S7 E201 V204 M208 Y261 I263 H309	P4-Y206 HydrophobicContact CB-CD2 4.29Å; P4-Y206 HydrophobicContact CB-CE2 4.08Å; V5-Y206 WeakPolarHBondContact O-CE2 3.22Å; V5-Y206 PolarHBondContact O-OH 2.96Å; S7-Y206 WeakPolarHBondContact CB-OH 3.41Å; S7-Y206 PolarHBondContact N-OH 2.95Å; S7-Y206 VanDerWaalsContact N-OH 3.1Å; E201-Y206 HydrophobicContact CB-CD1 4.41Å; E201-Y206 PolarHBondContact O-N 3.36Å; V204-Y206 VanDerWaalsContact C-N 3.32Å; V204-Y206 PolarHBondContact O-N 2.85Å; Y206-M208 HydrophobicContact CE1-CB 4.02Å; Y206-Y261 HydrophobicContact CE2-CD1 4.16Å; Y206-Y261 HydrophobicContact CE2-CG 4.25Å; Y206-Y261 AromaticContact CZ-CD1 3.92Å; Y206-I263 HydrophobicContact CD2-CD1 4.1Å; Y206-I263 HydrophobicContact CD2-CG1 3.98Å; Y206-I263 HydrophobicContact CG-CD1 4.35Å; Y206-H309 AromaticContact CE1-CE1 3.67Å
207	Q	98.7	Very high	98.8	Very high	70 Å²	70	12.1 Å²	12.1	33%	0.327	6%	0.061	S	C	.	.			trans	-87.7	-19.2	-165.5	-52.4	-159.1	-6.4	0	0	114.8	E187 Y188 V190 D205 Y209	E187-Q207 HydrophobicContact CB-CB 3.93Å; E187-Q207 HydrophobicContact CG-CB 4.21Å; Y188-Q207 WeakPolarHBondContact CD2-O 3.34Å; Y188-Q207 PolarHBondContact N-O 3.17Å; V190-Q207 HydrophobicContact CG1-CG 4.18Å; D205-Q207 WeakPolarHBondContact O-CG 3.5Å; D205-Q207 PolarHBondContact O-N 3.3Å; D205-Q207 PolarHBondContact OD1-NE2 2.89Å; Q207-Y209 PolarHBondContact O-N 3.11Å; Q207-Y209 VanDerWaalsContact O-N 3.09Å
208	M	98.5	Very high	98.8	Very high	21 Å²	21	11.3 Å²	11.3	10%	0.103	6%	0.057	C	C	.	.			trans	-85.1	42.7	179	-71.1	-177.5	-88.8	0	0	113	P4 P6 S7 E187 Y206	P4-M208 HydrophobicContact CG-CE 4.21Å; P6-M208 HydrophobicContact CB-CE 4.19Å; P6-M208 HydrophobicContact CB-SD 3.79Å; S7-M208 WeakPolarHBondContact CB-O 3.4Å; E187-M208 HydrophobicContact CG-CG 3.82Å; Y206-M208 HydrophobicContact CE1-CB 4.02Å
209	Y	98.8	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.			trans	-79	169.8	178.2	65.9	-104.1	0	0	0	113.1	M153 R155 Y188 N189 V190 E201 L202 Q207 L213	M153-Y209 HydrophobicContact CE-CE2 4.47Å; M153-Y209 HydrophobicContact SD-CD2 4.13Å; M153-Y209 HydrophobicContact SD-CE2 4.15Å; R155-Y209 WeakPolarHBondContact CD-OH 3.41Å; R155-Y209 HydrophobicContact CG-CE2 4.46Å; R155-Y209 PolarHBondContact NH1-OH 3.5Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.24Å; Y188-Y209 HydrophobicContact CD2-CD2 4.41Å; Y188-Y209 HydrophobicContact CD2-CE2 4.33Å; Y188-Y209 VanDerWaalsContact CE2-O 3.31Å; Y188-Y209 WeakPolarHBondContact CE2-O 3.48Å; Y188-Y209 HydrophobicContact CG-CE2 4.29Å; N189-Y209 PolarHBondContact O-OH 2.86Å; V190-Y209 HydrophobicContact CG1-CD1 4.49Å; V190-Y209 HydrophobicContact CG1-CE1 4.16Å; E201-Y209 HydrophobicContact CG-CG 4.39Å; L202-Y209 HydrophobicContact CD2-CD1 3.76Å; L202-Y209 HydrophobicContact CD2-CE1 3.47Å; L202-Y209 VanDerWaalsContact CD2-CE1 3.47Å; L202-Y209 HydrophobicContact CD2-CG 4.43Å; Q207-Y209 PolarHBondContact O-N 3.11Å; Q207-Y209 VanDerWaalsContact O-N 3.09Å; Y209-L213 HydrophobicContact CD2-CB 4.37Å; Y209-L213 HydrophobicContact CD2-CD2 3.84Å; Y209-L213 HydrophobicContact CE2-CD2 3.61Å
210	D	98.9	Very high	98.8	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.032	6%	0.056	C	C	.	.			trans	-141.8	-166.6	-177.1	64.1	65.2	0	0	0	112.8	A9 Y182 S212 L213 H309	A9-D210 HydrophobicContact CB-CB 3.8Å; Y182-D210 HydrophobicContact CD2-CB 3.92Å; Y182-D210 HydrophobicContact CE2-CB 3.43Å; Y182-D210 VanDerWaalsContact CE2-CB 3.43Å; D210-S212 PolarHBondContact O-N 2.86Å; D210-S212 VanDerWaalsContact OD1-CB 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.26Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 3.16Å; D210-L213 WeakPolarHBondContact O-CB 3.45Å; D210-L213 PolarHBondContact O-N 3.4Å; D210-H309 IonicContact OD2-CD2 2.73Å
211	Y	98.9	Very high	98.7	Very high	6 Å²	6	11 Å²	11	2%	0.024	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-30.6	178.8	-46.5	-70.3	0	0	0	114.8	A9 V11 Y12 H148 M153 Y182 L213 D214	A9-Y211 HydrophobicContact CB-CD2 3.66Å; A9-Y211 HydrophobicContact CB-CE2 3.64Å; V11-Y211 VanDerWaalsContact O-CE2 3.3Å; V11-Y211 WeakPolarHBondContact O-CE2 3.15Å; Y12-Y211 PolarHBondContact O-OH 2.75Å; H148-Y211 HydrophobicContact CB-CD1 3.88Å; H148-Y211 HydrophobicContact CB-CE1 4.38Å; H148-Y211 HydrophobicContact CB-CG 4.11Å; H148-Y211 AromaticContact CD2-CD1 3.7Å; H148-Y211 PolarHBondContact CE1-O 3.4Å; H148-Y211 AromaticContact CG-CD1 3.84Å; H148-Y211 AromaticContact CG-CG 3.99Å; M153-Y211 HydrophobicContact CG-CD1 3.67Å; M153-Y211 HydrophobicContact CG-CE1 4.2Å; M153-Y211 HydrophobicContact CG-CG 4.38Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.48Å; Y182-Y211 AromaticContact CD1-CE2 3.92Å; Y182-Y211 HydrophobicContact CD1-CE2 3.92Å; Y182-Y211 AromaticContact CD1-CZ 3.81Å; Y182-Y211 HydrophobicContact CE1-CE2 4.49Å; Y182-Y211 HydrophobicContact CG-CE1 4.24Å; Y182-Y211 HydrophobicContact CG-CE2 4.1Å; Y182-Y211 AromaticContact CG-CZ 3.8Å; Y211-L213 PolarHBondContact O-N 3.49Å; Y211-L213 VanDerWaalsContact O-N 3.08Å; Y211-D214 PolarHBondContact O-N 2.81Å
212	S	98.9	Very high	98.7	Very high	10 Å²	10	11 Å²	11	7%	0.07	6%	0.056	C	C	.	.	H	α-helix	trans	-60	-13.9	177.1	53.9	0	0	0	0	114.9	D210 M215 W216 H309 R312	D210-S212 PolarHBondContact O-N 2.86Å; D210-S212 VanDerWaalsContact OD1-CB 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.26Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 3.16Å; S212-M215 PolarHBondContact O-N 3.05Å; S212-W216 PolarHBondContact O-N 3.47Å; S212-H309 WeakPolarHBondContact CB-O 3.32Å; S212-H309 WeakPolarHBondContact OG-CB 3.33Å; S212-H309 PolarHBondContact OG-O 2.98Å; S212-R312 WeakPolarHBondContact O-CD 3.36Å; S212-R312 PolarHBondContact O-NH1 2.93Å
213	L	98.9	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.2	-40.4	167.9	171.6	61.3	0	0	0	112.8	R155 V192 E201 L202 Y209 D210 Y211 M215 W216 S217	R155-L213 HydrophobicContact CB-CD2 4.14Å; R155-L213 HydrophobicContact CG-CD2 4.07Å; V192-L213 HydrophobicContact CG2-CD2 4.33Å; E201-L213 HydrophobicContact CG-CD1 4.48Å; E201-L213 WeakPolarHBondContact OE1-CA 3.11Å; E201-L213 WeakPolarHBondContact OE1-CD1 3.4Å; L202-L213 HydrophobicContact CD1-CD1 3.58Å; L202-L213 HydrophobicContact CD1-CD2 3.99Å; L202-L213 HydrophobicContact CD1-CG 4.42Å; L202-L213 HydrophobicContact CD2-CD1 4.33Å; L202-L213 HydrophobicContact CD2-CD2 4.08Å; L202-L213 HydrophobicContact CG-CD1 3.77Å; L202-L213 HydrophobicContact CG-CD2 4.34Å; Y209-L213 HydrophobicContact CD2-CB 4.37Å; Y209-L213 HydrophobicContact CD2-CD2 3.84Å; Y209-L213 HydrophobicContact CE2-CD2 3.61Å; D210-L213 WeakPolarHBondContact O-CB 3.45Å; D210-L213 PolarHBondContact O-N 3.4Å; Y211-L213 PolarHBondContact O-N 3.49Å; Y211-L213 VanDerWaalsContact O-N 3.08Å; L213-M215 VanDerWaalsContact C-N 3.26Å; L213-M215 PolarHBondContact O-N 2.86Å; L213-W216 PolarHBondContact O-N 3.34Å; L213-S217 PolarHBondContact O-N 2.83Å; L213-S217 VanDerWaalsContact O-N 3.15Å; L213-S217 PolarHBondContact O-OG 3.29Å
214	D	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.3	-32.3	178.1	-67.6	-35.3	0	0	0	110.7	L144 H148 H154 R155 V157 Y211 S217 L218	L144-D214 HydrophobicContact CD1-CB 4.43Å; L144-D214 HydrophobicContact CD2-CB 4.13Å; H148-D214 IonicContact CD2-OD2 2.97Å; H148-D214 IonicContact CE1-OD2 3.44Å; H148-D214 IonicContact NE2-OD2 3.17Å; H148-D214 PolarHBondContact NE2-OD2 2.9Å; H154-D214 PolarHBondContact N-OD2 3.31Å; R155-D214 WeakPolarHBondContact CA-OD1 3.35Å; R155-D214 PolarHBondContact N-OD1 3.22Å; V157-D214 HydrophobicContact CG2-CB 3.93Å; Y211-D214 PolarHBondContact O-N 2.81Å; D214-S217 WeakPolarHBondContact O-CB 3.48Å; D214-S217 PolarHBondContact O-N 3.18Å; D214-L218 WeakPolarHBondContact O-CB 3.41Å; D214-L218 PolarHBondContact O-N 2.98Å
215	M	98.9	Very high	98.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-69.9	-35.7	178.3	-58	-56	-59.8	0	0	112.6	L141 L144 S212 L213 L218 G219 L304 L313 A315 A318	L141-M215 HydrophobicContact CD2-CE 3.77Å; L141-M215 HydrophobicContact CD2-SD 4.43Å; L144-M215 HydrophobicContact CD1-SD 4.33Å; S212-M215 PolarHBondContact O-N 3.05Å; L213-M215 VanDerWaalsContact C-N 3.26Å; L213-M215 PolarHBondContact O-N 2.86Å; M215-L218 HydrophobicContact CE-CD2 4.08Å; M215-L218 HydrophobicContact SD-CD2 4.47Å; M215-G219 PolarHBondContact O-N 3Å; M215-L304 HydrophobicContact CB-CD2 4.39Å; M215-L304 HydrophobicContact CE-CD2 3.72Å; M215-L313 WeakPolarHBondContact CG-O 3.36Å; M215-A315 HydrophobicContact CE-CB 4.44Å; M215-A315 HydrophobicContact SD-CB 3.91Å; M215-A318 HydrophobicContact CE-CB 3.76Å
216	W	98.9	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.4	-47.1	167.7	172.6	-83.7	0	0	0	111.7	K198 P200 S212 L213 L218 G219 C220 F233 I245 L249 L305	K198-W216 PolarHBondContact O-NE1 3.46Å; P200-W216 HydrophobicContact CG-CE3 4.26Å; P200-W216 HydrophobicContact CG-CH2 3.87Å; P200-W216 HydrophobicContact CG-CZ2 4.16Å; P200-W216 HydrophobicContact CG-CZ3 3.91Å; S212-W216 PolarHBondContact O-N 3.47Å; L213-W216 PolarHBondContact O-N 3.34Å; W216-L218 VanDerWaalsContact C-N 3.26Å; W216-L218 PolarHBondContact O-N 3.19Å; W216-G219 CarbonylContact O-C 3.56Å; W216-G219 WeakPolarHBondContact O-CA 3.46Å; W216-G219 PolarHBondContact O-N 3.2Å; W216-C220 PolarHBondContact NE1-SG 2.72Å; W216-C220 PolarHBondContact O-N 3.33Å; W216-F233 HydrophobicContact CH2-CE2 4.17Å; W216-F233 HydrophobicContact CZ2-CD2 4.21Å; W216-F233 AromaticContact CZ2-CE2 3.78Å; W216-F233 HydrophobicContact CZ2-CE2 3.78Å; W216-I245 HydrophobicContact CH2-CD1 4.26Å; W216-I245 HydrophobicContact CH2-CG1 4.36Å; W216-I245 HydrophobicContact CH2-CG2 3.61Å; W216-I245 HydrophobicContact CZ2-CD1 3.64Å; W216-I245 HydrophobicContact CZ2-CG1 3.96Å; W216-I245 HydrophobicContact CZ2-CG2 4.08Å; W216-L249 HydrophobicContact CH2-CD1 3.67Å; W216-L249 HydrophobicContact CZ3-CD1 3.8Å; W216-L305 HydrophobicContact CD2-CD2 3.81Å; W216-L305 HydrophobicContact CE3-CD2 3.76Å; W216-L305 HydrophobicContact CG-CD2 4.48Å; W216-L305 HydrophobicContact CH2-CD2 3.99Å; W216-L305 HydrophobicContact CZ2-CD2 4.04Å; W216-L305 HydrophobicContact CZ3-CB 4.17Å; W216-L305 HydrophobicContact CZ3-CD2 3.86Å
217	S	98.8	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-58.7	-40.5	-179.7	-55	0	0	0	0	111.4	V157 F197 L213 D214 C220 M221	V157-S217 WeakPolarHBondContact O-CB 3.4Å; F197-S217 PolarHBondContact O-OG 3.4Å; F197-S217 VanDerWaalsContact O-OG 3.05Å; L213-S217 PolarHBondContact O-N 2.83Å; L213-S217 VanDerWaalsContact O-N 3.15Å; L213-S217 PolarHBondContact O-OG 3.29Å; D214-S217 WeakPolarHBondContact O-CB 3.48Å; D214-S217 PolarHBondContact O-N 3.18Å; S217-C220 WeakPolarHBondContact O-CB 3.4Å; S217-C220 PolarHBondContact O-N 2.97Å; S217-M221 PolarHBondContact O-N 3.13Å
218	L	98.8	Very high	98.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.6	-41.4	171.5	-176.8	68.1	0	0	0	112.4	M137 I140 L141 L144 D214 M215 W216 C220 M221 L222	M137-L218 HydrophobicContact CE-CD1 3.5Å; M137-L218 HydrophobicContact CE-CD2 4.09Å; M137-L218 HydrophobicContact CE-CG 3.56Å; M137-L218 HydrophobicContact SD-CD1 3.71Å; M137-L218 HydrophobicContact SD-CG 4.41Å; I140-L218 HydrophobicContact CB-CD1 4.28Å; I140-L218 HydrophobicContact CD1-CD1 4.4Å; I140-L218 HydrophobicContact CG2-CD1 3.73Å; L141-L218 HydrophobicContact CD2-CD2 3.4Å; L141-L218 HydrophobicContact CG-CD2 3.92Å; L144-L218 HydrophobicContact CD1-CB 4.48Å; L144-L218 HydrophobicContact CD1-CD2 4.11Å; D214-L218 WeakPolarHBondContact O-CB 3.41Å; D214-L218 PolarHBondContact O-N 2.98Å; M215-L218 HydrophobicContact CE-CD2 4.08Å; M215-L218 HydrophobicContact SD-CD2 4.47Å; W216-L218 VanDerWaalsContact C-N 3.26Å; W216-L218 PolarHBondContact O-N 3.19Å; L218-C220 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 2.87Å; L218-M221 WeakPolarHBondContact O-CB 3.45Å; L218-M221 PolarHBondContact O-N 2.89Å; L218-M221 VanDerWaalsContact O-N 3.11Å; L218-L222 PolarHBondContact O-N 3.01Å
219	G	98.8	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.2	-41.5	172.1	0	0	0	0	0	113	M215 W216 M221 L222 A223 L301	M215-G219 PolarHBondContact O-N 3Å; W216-G219 CarbonylContact O-C 3.56Å; W216-G219 WeakPolarHBondContact O-CA 3.46Å; W216-G219 PolarHBondContact O-N 3.2Å; G219-M221 VanDerWaalsContact C-N 3.31Å; G219-M221 PolarHBondContact O-N 3.44Å; G219-L222 PolarHBondContact O-N 3.22Å; G219-A223 WeakPolarHBondContact O-CB 3.45Å; G219-A223 PolarHBondContact O-N 3.48Å; G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.49Å
220	C	98.6	Very high	97.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-35.2	173.1	-73.8	0	0	0	0	113	Y196 F197 W216 S217 L218 S224	Y196-C220 PolarHBondContact O-SG 2.87Å; F197-C220 HydrophobicContact CD1-CB 3.7Å; F197-C220 HydrophobicContact CE1-CB 4.11Å; W216-C220 PolarHBondContact NE1-SG 2.72Å; W216-C220 PolarHBondContact O-N 3.33Å; S217-C220 WeakPolarHBondContact O-CB 3.4Å; S217-C220 PolarHBondContact O-N 2.97Å; L218-C220 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 2.87Å; C220-S224 PolarHBondContact O-N 2.75Å; C220-S224 PolarHBondContact O-OG 2.92Å
221	M	97.7	Very high	97.6	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-67.9	-48	174.1	-69.9	-178.4	54.7	0	0	111.4	I140 V157 K158 P159 V162 F197 S217 L218 G219 S224 M225	I140-M221 HydrophobicContact CD1-CE 3.95Å; V157-M221 HydrophobicContact CG1-SD 3.96Å; K158-M221 VanDerWaalsContact C-SD 3.54Å; K158-M221 VanDerWaalsContact CA-SD 3.59Å; P159-M221 HydrophobicContact CB-CE 4.34Å; P159-M221 HydrophobicContact CG-CE 4.07Å; P159-M221 HydrophobicContact CG-CG 4.02Å; P159-M221 HydrophobicContact CG-SD 4.31Å; V162-M221 HydrophobicContact CG2-CE 4.12Å; F197-M221 HydrophobicContact CD1-CG 4.11Å; F197-M221 HydrophobicContact CE1-CG 3.71Å; S217-M221 PolarHBondContact O-N 3.13Å; L218-M221 WeakPolarHBondContact O-CB 3.45Å; L218-M221 PolarHBondContact O-N 2.89Å; L218-M221 VanDerWaalsContact O-N 3.11Å; G219-M221 VanDerWaalsContact C-N 3.31Å; G219-M221 PolarHBondContact O-N 3.44Å; M221-S224 PolarHBondContact O-N 2.83Å; M221-M225 HydrophobicContact CB-CE 4.43Å; M221-M225 PolarHBondContact O-N 3.47Å
222	L	98.3	Very high	97.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59	-50.5	177.5	-179.1	65.8	0	0	0	111.8	I133 M137 L218 G219 S224 M225 I226 F300 L301 L304 Y323	I133-L222 HydrophobicContact CG2-CD1 4.01Å; M137-L222 HydrophobicContact CE-CB 3.73Å; M137-L222 HydrophobicContact CE-CD1 4.11Å; M137-L222 HydrophobicContact CE-CD2 4.32Å; M137-L222 HydrophobicContact CE-CG 4.27Å; M137-L222 HydrophobicContact CG-CD1 4.21Å; M137-L222 HydrophobicContact SD-CB 4.23Å; M137-L222 HydrophobicContact SD-CD1 4.4Å; L218-L222 PolarHBondContact O-N 3.01Å; G219-L222 PolarHBondContact O-N 3.22Å; L222-S224 PolarHBondContact O-N 3.01Å; L222-M225 PolarHBondContact O-N 2.88Å; L222-M225 VanDerWaalsContact O-N 3.1Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CG2 4.37Å; L222-I226 PolarHBondContact O-N 2.9Å; L222-F300 HydrophobicContact CD2-CD1 3.4Å; L222-F300 VanDerWaalsContact CD2-CD1 3.4Å; L222-F300 HydrophobicContact CD2-CE1 3.69Å; L222-F300 HydrophobicContact CD2-CG 4.3Å; L222-L301 HydrophobicContact CB-CD1 4.16Å; L222-L301 HydrophobicContact CD2-CB 3.91Å; L222-L301 HydrophobicContact CD2-CD1 3.95Å; L222-L301 HydrophobicContact CG-CD1 4.21Å; L222-L304 HydrophobicContact CD2-CD1 4.27Å; L222-Y323 HydrophobicContact CD1-CE1 4.16Å
223	A	98.4	Very high	97.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58	-36.9	178.3	0	0	0	0	0	112.2	G219 F227 F232 L301 L305	G219-A223 WeakPolarHBondContact O-CB 3.45Å; G219-A223 PolarHBondContact O-N 3.48Å; A223-F227 HydrophobicContact CB-CD2 4.43Å; A223-F227 WeakPolarHBondContact O-CB 3.38Å; A223-F227 WeakPolarHBondContact O-CD2 3.08Å; A223-F227 PolarHBondContact O-N 3.36Å; A223-F232 HydrophobicContact CB-CB 3.84Å; A223-F232 HydrophobicContact CB-CD1 3.73Å; A223-F232 HydrophobicContact CB-CD2 3.8Å; A223-F232 HydrophobicContact CB-CE1 4.25Å; A223-F232 HydrophobicContact CB-CE2 4.33Å; A223-F232 HydrophobicContact CB-CG 3.48Å; A223-F232 VanDerWaalsContact CB-CG 3.48Å; A223-L301 HydrophobicContact CB-CD1 3.88Å; A223-L301 HydrophobicContact CB-CD2 3.76Å; A223-L301 HydrophobicContact CB-CG 4.46Å; A223-L305 HydrophobicContact CB-CD1 4.25Å
224	S	96.7	Very high	97.6	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.049	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-54.6	174	-53.9	0	0	0	0	109.6	Y125 C220 M221 L222 F227 R228 K229 F232	Y125-S224 PolarHBondContact OH-O 2.88Å; C220-S224 PolarHBondContact O-N 2.75Å; C220-S224 PolarHBondContact O-OG 2.92Å; M221-S224 PolarHBondContact O-N 2.83Å; L222-S224 PolarHBondContact O-N 3.01Å; S224-F227 PolarHBondContact O-N 3.44Å; S224-R228 CarbonylContact O-C 3.59Å; S224-R228 VanDerWaalsContact O-CA 3.27Å; S224-R228 WeakPolarHBondContact O-CA 3.34Å; S224-R228 PolarHBondContact O-N 3.04Å; S224-K229 WeakPolarHBondContact CA-O 3.29Å; S224-K229 WeakPolarHBondContact CB-O 3.38Å; S224-K229 PolarHBondContact O-N 3.12Å; S224-K229 PolarHBondContact OG-O 2.81Å; S224-F232 PolarHBondContact OG-N 3.32Å
225	M	96.4	Very high	97.5	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.03	8%	0.076	C	C	.	.	H	α-helix	trans	-58	-52.6	-176.3	-72.9	-174.2	-68.6	0	0	113.8	F121 Y125 L128 I133 M137 M221 L222 F227 R228	F121-M225 HydrophobicContact CE2-SD 4.42Å; F121-M225 HydrophobicContact CZ-CG 4.18Å; F121-M225 HydrophobicContact CZ-SD 3.95Å; Y125-M225 HydrophobicContact CD2-CB 4.48Å; Y125-M225 HydrophobicContact CD2-CG 3.64Å; Y125-M225 HydrophobicContact CE2-CB 4.27Å; Y125-M225 HydrophobicContact CE2-CG 3.75Å; L128-M225 HydrophobicContact CD1-SD 3.95Å; I133-M225 HydrophobicContact CD1-CB 4.04Å; I133-M225 HydrophobicContact CG1-CB 4.25Å; I133-M225 HydrophobicContact CG1-SD 4.44Å; I133-M225 HydrophobicContact CG2-CB 4.26Å; I133-M225 HydrophobicContact CG2-CE 4.19Å; I133-M225 HydrophobicContact CG2-SD 4.41Å; M137-M225 HydrophobicContact CG-CE 3.8Å; M137-M225 HydrophobicContact SD-CE 3.45Å; M137-M225 WeakPolarHBondContact SD-CE 3.39Å; M221-M225 HydrophobicContact CB-CE 4.43Å; M221-M225 PolarHBondContact O-N 3.47Å; L222-M225 PolarHBondContact O-N 2.88Å; L222-M225 VanDerWaalsContact O-N 3.1Å; M225-F227 PolarHBondContact O-N 3.07Å; M225-R228 PolarHBondContact O-N 2.81Å
226	I	97.7	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.9	-30.6	-174.8	71.9	178.4	0	0	0	112.7	I133 L222 V293 A297 L298 L301	I133-I226 HydrophobicContact CD1-CG2 4.43Å; I133-I226 HydrophobicContact CG2-CG2 4.21Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CG2 4.37Å; L222-I226 PolarHBondContact O-N 2.9Å; I226-V293 HydrophobicContact CB-CG2 4.21Å; I226-V293 HydrophobicContact CG1-CG2 4.43Å; I226-V293 WeakPolarHBondContact O-CG2 3.2Å; I226-A297 HydrophobicContact CD1-CB 4.23Å; I226-L298 HydrophobicContact CD1-CD2 4.23Å; I226-L301 HydrophobicContact CD1-CD2 4.05Å
227	F	97.4	Very high	97.4	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.013	13%	0.125	C	C	.	.	H	α-helix	trans	-94.5	3	176.7	-57.7	-54.1	0	0	0	113.7	A223 S224 M225 K229 F232 W281 F284 V285 N289 V293 L298 L301	A223-F227 HydrophobicContact CB-CD2 4.43Å; A223-F227 WeakPolarHBondContact O-CB 3.38Å; A223-F227 WeakPolarHBondContact O-CD2 3.08Å; A223-F227 PolarHBondContact O-N 3.36Å; S224-F227 PolarHBondContact O-N 3.44Å; M225-F227 PolarHBondContact O-N 3.07Å; F227-K229 HydrophobicContact CB-CB 4.34Å; F227-K229 PolarHBondContact O-N 3.12Å; F227-K229 VanDerWaalsContact O-N 3.08Å; F227-F232 HydrophobicContact CB-CE2 4.5Å; F227-F232 AromaticContact CD2-CD2 3.9Å; F227-F232 HydrophobicContact CD2-CD2 3.9Å; F227-F232 AromaticContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CZ 4.17Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.3Å; F227-F232 HydrophobicContact CG-CE2 4.27Å; F227-W281 AromaticContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CZ3 4.46Å; F227-W281 HydrophobicContact CZ-CB 4.25Å; F227-W281 HydrophobicContact CZ-CE3 4.18Å; F227-F284 HydrophobicContact CB-CB 4.32Å; F227-F284 HydrophobicContact CD1-CB 3.58Å; F227-F284 HydrophobicContact CD2-CB 3.99Å; F227-F284 HydrophobicContact CE1-CB 3.79Å; F227-F284 HydrophobicContact CE2-CB 4.17Å; F227-F284 HydrophobicContact CE2-CD2 4.37Å; F227-F284 HydrophobicContact CG-CB 3.7Å; F227-F284 HydrophobicContact CZ-CB 4.08Å; F227-F284 HydrophobicContact CZ-CD2 4.46Å; F227-V285 HydrophobicContact CE1-CG2 4.04Å; F227-N289 VanDerWaalsContact CA-ND2 3.3Å; F227-N289 WeakPolarHBondContact CA-ND2 3.37Å; F227-N289 PolarHBondContact O-ND2 3.45Å; F227-V293 HydrophobicContact CD1-CG2 4.02Å; F227-V293 HydrophobicContact CE1-CG1 4.48Å; F227-V293 HydrophobicContact CE1-CG2 3.99Å; F227-L298 HydrophobicContact CE1-CD2 3.9Å; F227-L298 HydrophobicContact CZ-CD2 3.59Å; F227-L301 HydrophobicContact CE2-CD2 3.65Å; F227-L301 HydrophobicContact CZ-CD2 4.26Å
228	R	95.6	Very high	97.4	Very high	51 Å²	51	30 Å²	30	19%	0.192	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	25.5	-171.4	-67.3	-63.6	-175.9	94	-5.4	115	Y125 Q126 L128 S224 M225 N289 L292	Y125-R228 VanDerWaalsContact O-CZ 3.3Å; Y125-R228 PolarHBondContact O-NE 3.35Å; Q126-R228 PolarHBondContact O-NH1 2.99Å; Q126-R228 PolarHBondContact O-NH2 3.4Å; Q126-R228 VanDerWaalsContact O-NH2 3.13Å; L128-R228 PolarHBondContact O-NH2 3.07Å; S224-R228 CarbonylContact O-C 3.59Å; S224-R228 VanDerWaalsContact O-CA 3.27Å; S224-R228 WeakPolarHBondContact O-CA 3.34Å; S224-R228 PolarHBondContact O-N 3.04Å; M225-R228 PolarHBondContact O-N 2.81Å; R228-N289 HydrophobicContact CB-CB 4.45Å; R228-N289 HydrophobicContact CG-CB 4.3Å; R228-L292 HydrophobicContact CG-CD1 3.94Å
229	K	95.3	Very high	97.4	Very high	84 Å²	84	33 Å²	33	37%	0.365	16%	0.155	S	C	.	.			trans	-107.9	92.5	-173.4	-172.4	-173.4	177.5	-64.7	0	112.3	Y125 S224 F227 P231 F232	Y125-K229 PolarHBondContact OH-N 3.28Å; S224-K229 WeakPolarHBondContact CA-O 3.29Å; S224-K229 WeakPolarHBondContact CB-O 3.38Å; S224-K229 PolarHBondContact O-N 3.12Å; S224-K229 PolarHBondContact OG-O 2.81Å; F227-K229 HydrophobicContact CB-CB 4.34Å; F227-K229 PolarHBondContact O-N 3.12Å; F227-K229 VanDerWaalsContact O-N 3.08Å; K229-P231 PolarHBondContact NZ-O 2.96Å; K229-P231 CarbonylContact O-C 3.55Å; K229-F232 HydrophobicContact CB-CD2 4.4Å; K229-F232 HydrophobicContact CD-CD2 4.06Å; K229-F232 HydrophobicContact CD-CE2 4.35Å; K229-F232 PolarHBondContact NZ-O 3.09Å; K229-F232 WeakPolarHBondContact O-CA 3.17Å; K229-F232 PolarHBondContact O-N 2.85Å
230	E	92.2	Very high	97.4	Very high	82 Å²	82	34.1 Å²	34.1	38%	0.383	16%	0.161	S	C	.	.	S	Bend	trans	-97.7	126	178.8	-167.1	-178.9	-161.7	0	0	112.2	Y125	Y125-E230 HydrophobicContact CE1-CB 4.33Å; Y125-E230 PolarHBondContact OH-N 3.17Å; Y125-E230 VanDerWaalsContact OH-N 3.13Å
231	P	95.9	Very high	97.4	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.091	16%	0.161	C	C	.	.	S	Bend	cis	-73.9	155.4	-23	33.7	-35.8	0	0	0	111.6	Y196 K229 H234	Y196-P231 HydrophobicContact CD1-CB 4.32Å; Y196-P231 HydrophobicContact CD1-CG 3.93Å; Y196-P231 HydrophobicContact CD2-CB 3.77Å; Y196-P231 HydrophobicContact CD2-CG 3.64Å; Y196-P231 HydrophobicContact CE1-CG 4.14Å; Y196-P231 HydrophobicContact CE2-CB 4.46Å; Y196-P231 HydrophobicContact CE2-CG 3.85Å; Y196-P231 HydrophobicContact CG-CB 3.69Å; Y196-P231 HydrophobicContact CG-CG 3.69Å; K229-P231 PolarHBondContact NZ-O 2.96Å; K229-P231 CarbonylContact O-C 3.55Å; P231-H234 HydrophobicContact CG-CB 3.78Å
232	F	98.1	Very high	97.4	Very high	9 Å²	9	34 Å²	34	4%	0.039	16%	0.16	C	C	.	.	S	Bend	trans	-64.6	-49.3	178.5	-170.8	-100.2	0	0	0	112.3	A223 S224 F227 K229 V248 W281 F284	A223-F232 HydrophobicContact CB-CB 3.84Å; A223-F232 HydrophobicContact CB-CD1 3.73Å; A223-F232 HydrophobicContact CB-CD2 3.8Å; A223-F232 HydrophobicContact CB-CE1 4.25Å; A223-F232 HydrophobicContact CB-CE2 4.33Å; A223-F232 HydrophobicContact CB-CG 3.48Å; A223-F232 VanDerWaalsContact CB-CG 3.48Å; S224-F232 PolarHBondContact OG-N 3.32Å; F227-F232 HydrophobicContact CB-CE2 4.5Å; F227-F232 AromaticContact CD2-CD2 3.9Å; F227-F232 HydrophobicContact CD2-CD2 3.9Å; F227-F232 AromaticContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CZ 4.17Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.3Å; F227-F232 HydrophobicContact CG-CE2 4.27Å; K229-F232 HydrophobicContact CB-CD2 4.4Å; K229-F232 HydrophobicContact CD-CD2 4.06Å; K229-F232 HydrophobicContact CD-CE2 4.35Å; K229-F232 PolarHBondContact NZ-O 3.09Å; K229-F232 WeakPolarHBondContact O-CA 3.17Å; K229-F232 PolarHBondContact O-N 2.85Å; F232-V248 HydrophobicContact CE1-CG1 4.31Å; F232-V248 HydrophobicContact CZ-CG1 4.48Å; F232-W281 AromaticContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CZ-CE3 4.46Å; F232-W281 AromaticContact CZ-CZ3 3.87Å; F232-W281 HydrophobicContact CZ-CZ3 3.87Å; F232-F284 HydrophobicContact CE2-CD1 4.06Å; F232-F284 HydrophobicContact CE2-CD2 4.29Å; F232-F284 HydrophobicContact CE2-CE1 4.38Å; F232-F284 HydrophobicContact CE2-CG 4.02Å; F232-F284 HydrophobicContact CZ-CD1 4.16Å; F232-F284 AromaticContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CE1 4.1Å; F232-F284 AromaticContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CG 4.1Å; F232-F284 AromaticContact CZ-CZ 3.97Å; F232-F284 HydrophobicContact CZ-CZ 3.97Å
233	F	98.7	Very high	97.4	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.013	16%	0.161	C	C	.	.	S	Bend	trans	-102.1	101.8	171.1	-60.4	-62.6	0	0	0	110.5	Y196 W216 Q241 R244 I245 V248 L305	Y196-F233 VanDerWaalsContact CD1-O 3.25Å; Y196-F233 WeakPolarHBondContact CD1-O 3.38Å; W216-F233 HydrophobicContact CH2-CE2 4.17Å; W216-F233 HydrophobicContact CZ2-CD2 4.21Å; W216-F233 AromaticContact CZ2-CE2 3.78Å; W216-F233 HydrophobicContact CZ2-CE2 3.78Å; F233-Q241 PolarHBondContact O-NE2 3.47Å; F233-Q241 PolarHBondContact O-OE1 3.06Å; F233-R244 HydrophobicContact CB-CB 4.48Å; F233-I245 HydrophobicContact CB-CG1 4.3Å; F233-I245 HydrophobicContact CD1-CB 4.44Å; F233-I245 HydrophobicContact CD1-CG1 3.86Å; F233-I245 HydrophobicContact CD2-CG1 4Å; F233-I245 HydrophobicContact CE1-CB 4.36Å; F233-I245 HydrophobicContact CE1-CG1 4.1Å; F233-I245 HydrophobicContact CE2-CG1 4.23Å; F233-I245 HydrophobicContact CG-CG1 3.8Å; F233-I245 HydrophobicContact CZ-CG1 4.28Å; F233-I245 HydrophobicContact CZ-CG2 4.47Å; F233-V248 HydrophobicContact CD1-CG2 4.44Å; F233-V248 HydrophobicContact CE1-CB 3.91Å; F233-V248 HydrophobicContact CE1-CG1 4.42Å; F233-V248 HydrophobicContact CE1-CG2 3.83Å; F233-L305 HydrophobicContact CE2-CD1 3.9Å; F233-L305 HydrophobicContact CE2-CD2 4.22Å; F233-L305 HydrophobicContact CZ-CD1 4.09Å
234	H	98.4	Very high	97.5	Very high	87 Å²	87	38 Å²	38	40%	0.403	18%	0.176	S	C	.	.			trans	-104	77	-172.8	-162.1	156.3	0	0	0	111.7	Y196 P231	Y196-H234 AromaticContact CE1-CD2 3.76Å; Y196-H234 AromaticContact CZ-CD2 3.85Å; Y196-H234 PolarHBondContact OH-NE2 2.9Å; P231-H234 HydrophobicContact CG-CB 3.78Å
235	G	98.3	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.173	C	C	.	.			trans	-82.5	140	175.4	0	0	0	0	0	113.6	R195 Y196 D237 D240	R195-G235 WeakPolarHBondContact CD-O 3.39Å; R195-G235 PolarHBondContact NH1-O 3.31Å; Y196-G235 WeakPolarHBondContact CE1-O 3.43Å; G235-D237 VanDerWaalsContact C-N 3.32Å; G235-D240 WeakPolarHBondContact CA-OD2 3.41Å
236	H	97.8	Very high	97.7	Very high	134 Å²	134	37.4 Å²	37.4	62%	0.62	17%	0.172	S	C	*	.	S	Bend	trans	-67.5	-31.6	176	-61.6	-54.8	0	0	0	112.8	R195 D240 R244	R195-H236 PolarHBondContact NH1-O 2.78Å; R195-H236 PolarHBondContact NH2-O 3.32Å; H236-D240 IonicContact CD2-OD2 3.64Å; H236-D240 PolarHBondContact CD2-OD2 2.96Å; H236-D240 IonicContact CG-OD2 3.43Å; H236-D240 PolarHBondContact N-OD2 3.07Å; H236-D240 IonicContact NE2-OD2 3.26Å; H236-R244 PolarHBondContact CD2-NH2 3.11Å; H236-R244 PolarHBondContact NE2-NH2 3.35Å
237	D	98.1	Very high	97.7	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	19%	0.191	S	C	.	.	S	Bend	trans	-146.6	-169.1	173.1	59.5	56.1	0	0	0	109.9	R195 G235 Y239 D240 Q241	R195-D237 WeakPolarHBondContact CD-O 3.36Å; G235-D237 VanDerWaalsContact C-N 3.32Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.45Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.37Å; D237-Y239 PolarHBondContact OD1-N 3.21Å; D237-D240 PolarHBondContact OD1-N 2.89Å; D237-Q241 WeakPolarHBondContact O-CB 3.21Å; D237-Q241 PolarHBondContact O-N 2.82Å
238	N	98.2	Very high	97.8	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-71.9	-28.3	-179.4	-67.4	-1.6	0	0	0	113.5	L203 Q241	L203-N238 HydrophobicContact CD2-CB 4.18Å; N238-Q241 WeakPolarHBondContact O-CB 3.39Å
239	Y	98.3	Very high	97.9	Very high	65 Å²	65	40 Å²	40	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-74.7	-49.9	179.1	-67	-85.6	0	0	0	109.7	D237 Q241 L242 V243 D266 R268 F269	D237-Y239 WeakPolarHBondContact OD1-CA 3.45Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.37Å; D237-Y239 PolarHBondContact OD1-N 3.21Å; Y239-Q241 PolarHBondContact O-N 3.21Å; Y239-L242 PolarHBondContact O-N 2.9Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; Y239-V243 PolarHBondContact O-N 2.76Å; Y239-D266 HydrophobicContact CE1-CB 4.15Å; Y239-D266 WeakPolarHBondContact CE1-OD2 3.24Å; Y239-D266 PolarHBondContact OH-OD2 3.12Å; Y239-R268 HydrophobicContact CD1-CB 4.09Å; Y239-R268 HydrophobicContact CE1-CB 4.03Å; Y239-R268 PolarHBondContact OH-NE 3.28Å; Y239-R268 PolarHBondContact OH-NH2 3.47Å; Y239-F269 HydrophobicContact CD1-CD1 4.16Å; Y239-F269 HydrophobicContact CD1-CD2 4.23Å; Y239-F269 AromaticContact CD1-CE1 3.66Å; Y239-F269 HydrophobicContact CD1-CE1 3.66Å; Y239-F269 AromaticContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CG 4.42Å; Y239-F269 AromaticContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CD1-CZ 3.45Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CE1-CD2 4.36Å; Y239-F269 AromaticContact CE1-CE2 3.83Å; Y239-F269 HydrophobicContact CE1-CE2 3.83Å; Y239-F269 AromaticContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CG-CE1 4.32Å; Y239-F269 HydrophobicContact CG-CZ 4.3Å
240	D	98.5	Very high	98.1	Very high	23 Å²	23	36 Å²	36	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-27	173.4	-179.7	48.8	0	0	0	112.3	G235 H236 D237 L242 V243 R244	G235-D240 WeakPolarHBondContact CA-OD2 3.41Å; H236-D240 IonicContact CD2-OD2 3.64Å; H236-D240 PolarHBondContact CD2-OD2 2.96Å; H236-D240 IonicContact CG-OD2 3.43Å; H236-D240 PolarHBondContact N-OD2 3.07Å; H236-D240 IonicContact NE2-OD2 3.26Å; D237-D240 PolarHBondContact OD1-N 2.89Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-L242 PolarHBondContact O-N 2.74Å; D240-V243 CarbonylContact O-C 3.56Å; D240-V243 WeakPolarHBondContact O-CB 3.3Å; D240-V243 PolarHBondContact O-N 3.18Å; D240-V243 VanDerWaalsContact O-N 3.17Å; D240-R244 VanDerWaalsContact CG-NE 3.32Å; D240-R244 VanDerWaalsContact CG-NH2 3.33Å; D240-R244 WeakPolarHBondContact O-CG 3.28Å; D240-R244 PolarHBondContact O-N 2.89Å; D240-R244 IonicContact OD1-CZ 3.42Å; D240-R244 IonicContact OD1-NE 3.66Å; D240-R244 PolarHBondContact OD1-NE 2.8Å; D240-R244 IonicContact OD1-NH2 3.23Å; D240-R244 PolarHBondContact OD1-NH2 3.41Å; D240-R244 VanDerWaalsContact OD1-NH2 3.16Å; D240-R244 IonicContact OD2-CZ 2.79Å; D240-R244 VanDerWaalsContact OD2-CZ 3.28Å; D240-R244 IonicContact OD2-NE 2.7Å; D240-R244 PolarHBondContact OD2-NE 3.22Å; D240-R244 VanDerWaalsContact OD2-NE 3.12Å; D240-R244 IonicContact OD2-NH2 2.7Å; D240-R244 PolarHBondContact OD2-NH2 3.08Å
241	Q	98.8	Very high	98.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-45	172.6	-171.2	66.2	27.2	0	0	112.1	R195 L203 F233 D237 N238 Y239 V243 R244 I245	R195-Q241 HydrophobicContact CG-CB 4.19Å; R195-Q241 HydrophobicContact CG-CG 4.17Å; L203-Q241 HydrophobicContact CD1-CB 4.19Å; L203-Q241 HydrophobicContact CD1-CG 3.85Å; L203-Q241 HydrophobicContact CD2-CB 4.26Å; L203-Q241 HydrophobicContact CD2-CG 4.28Å; F233-Q241 PolarHBondContact O-NE2 3.47Å; F233-Q241 PolarHBondContact O-OE1 3.06Å; D237-Q241 WeakPolarHBondContact O-CB 3.21Å; D237-Q241 PolarHBondContact O-N 2.82Å; N238-Q241 WeakPolarHBondContact O-CB 3.39Å; Y239-Q241 PolarHBondContact O-N 3.21Å; Q241-V243 VanDerWaalsContact C-N 3.35Å; Q241-R244 PolarHBondContact O-N 3.39Å; Q241-I245 WeakPolarHBondContact O-CG1 3.33Å; Q241-I245 PolarHBondContact O-N 3.26Å
242	L	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-36.8	176.9	-169.9	62.5	0	0	0	111.3	P200 L203 V204 Y239 D240 R244 I245 A246 L254 F269 L273 Y307	P200-L242 HydrophobicContact CB-CD1 4.29Å; L203-L242 HydrophobicContact CB-CB 4.25Å; L203-L242 HydrophobicContact CB-CD1 4.32Å; L203-L242 HydrophobicContact CD1-CB 4.06Å; L203-L242 HydrophobicContact CD1-CD1 4.13Å; V204-L242 HydrophobicContact CG1-CD2 3.63Å; Y239-L242 PolarHBondContact O-N 2.9Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-L242 PolarHBondContact O-N 2.74Å; L242-R244 VanDerWaalsContact C-N 3.32Å; L242-R244 PolarHBondContact O-N 2.82Å; L242-I245 WeakPolarHBondContact O-CB 3.43Å; L242-I245 PolarHBondContact O-N 2.92Å; L242-I245 VanDerWaalsContact O-N 3.11Å; L242-A246 WeakPolarHBondContact O-CB 3.43Å; L242-A246 PolarHBondContact O-N 3.27Å; L242-L254 HydrophobicContact CD1-CD1 4.28Å; L242-L254 HydrophobicContact CD1-CD2 4.48Å; L242-L254 HydrophobicContact CD2-CD2 4.42Å; L242-L254 HydrophobicContact CG-CD2 4.33Å; L242-F269 HydrophobicContact CB-CE1 3.77Å; L242-F269 HydrophobicContact CB-CZ 4.29Å; L242-F269 HydrophobicContact CD2-CD1 4.01Å; L242-F269 HydrophobicContact CD2-CE1 3.6Å; L242-F269 HydrophobicContact CD2-CE2 4.34Å; L242-F269 HydrophobicContact CD2-CZ 3.78Å; L242-F269 HydrophobicContact CG-CE1 4.28Å; L242-L273 HydrophobicContact CB-CD2 4.5Å; L242-L273 HydrophobicContact CD2-CD2 4.15Å; L242-L273 HydrophobicContact CG-CD2 4.03Å; L242-Y307 HydrophobicContact CD1-CE1 4.38Å
243	V	98.6	Very high	98.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-38.2	173.8	178.8	0	0	0	0	111.7	Y239 D240 Q241 I245 A246 K247 I272 L273	Y239-V243 PolarHBondContact O-N 2.76Å; D240-V243 CarbonylContact O-C 3.56Å; D240-V243 WeakPolarHBondContact O-CB 3.3Å; D240-V243 PolarHBondContact O-N 3.18Å; D240-V243 VanDerWaalsContact O-N 3.17Å; Q241-V243 VanDerWaalsContact C-N 3.35Å; V243-I245 VanDerWaalsContact C-N 3.32Å; V243-A246 PolarHBondContact O-N 3.28Å; V243-K247 HydrophobicContact CG1-CD 4Å; V243-K247 VanDerWaalsContact CG1-CE 3.46Å; V243-K247 WeakPolarHBondContact O-CB 3.45Å; V243-K247 WeakPolarHBondContact O-CD 3.34Å; V243-K247 VanDerWaalsContact O-CG 3.28Å; V243-K247 WeakPolarHBondContact O-CG 3.45Å; V243-K247 PolarHBondContact O-N 3.27Å; V243-I272 WeakPolarHBondContact CG1-O 3.47Å; V243-I272 HydrophobicContact CG2-CB 4.01Å; V243-I272 HydrophobicContact CG2-CD1 3.9Å; V243-I272 HydrophobicContact CG2-CG1 3.76Å; V243-I272 WeakPolarHBondContact CG2-O 3.46Å; V243-L273 HydrophobicContact CG2-CD2 4.09Å
244	R	98.7	Very high	98.5	Very high	80 Å²	80	40.7 Å²	40.7	30%	0.302	19%	0.192	S	C	.	.	H	α-helix	trans	-67.5	-32.2	174	-59.8	-43.7	163.4	115.3	5.6	112.7	F233 H236 D240 Q241 L242	F233-R244 HydrophobicContact CB-CB 4.48Å; H236-R244 PolarHBondContact CD2-NH2 3.11Å; H236-R244 PolarHBondContact NE2-NH2 3.35Å; D240-R244 VanDerWaalsContact CG-NE 3.32Å; D240-R244 VanDerWaalsContact CG-NH2 3.33Å; D240-R244 WeakPolarHBondContact O-CG 3.28Å; D240-R244 PolarHBondContact O-N 2.89Å; D240-R244 IonicContact OD1-CZ 3.42Å; D240-R244 IonicContact OD1-NE 3.66Å; D240-R244 PolarHBondContact OD1-NE 2.8Å; D240-R244 IonicContact OD1-NH2 3.23Å; D240-R244 PolarHBondContact OD1-NH2 3.41Å; D240-R244 VanDerWaalsContact OD1-NH2 3.16Å; D240-R244 IonicContact OD2-CZ 2.79Å; D240-R244 VanDerWaalsContact OD2-CZ 3.28Å; D240-R244 IonicContact OD2-NE 2.7Å; D240-R244 PolarHBondContact OD2-NE 3.22Å; D240-R244 VanDerWaalsContact OD2-NE 3.12Å; D240-R244 IonicContact OD2-NH2 2.7Å; D240-R244 PolarHBondContact OD2-NH2 3.08Å; Q241-R244 PolarHBondContact O-N 3.39Å; L242-R244 VanDerWaalsContact C-N 3.32Å; L242-R244 PolarHBondContact O-N 2.82Å
245	I	98.8	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-48.8	174.8	-62.8	162.7	0	0	0	110	L203 W216 F233 Q241 L242 V243 K247 V248 L249 Y307	L203-I245 HydrophobicContact CD1-CD1 3.7Å; W216-I245 HydrophobicContact CH2-CD1 4.26Å; W216-I245 HydrophobicContact CH2-CG1 4.36Å; W216-I245 HydrophobicContact CH2-CG2 3.61Å; W216-I245 HydrophobicContact CZ2-CD1 3.64Å; W216-I245 HydrophobicContact CZ2-CG1 3.96Å; W216-I245 HydrophobicContact CZ2-CG2 4.08Å; F233-I245 HydrophobicContact CB-CG1 4.3Å; F233-I245 HydrophobicContact CD1-CB 4.44Å; F233-I245 HydrophobicContact CD1-CG1 3.86Å; F233-I245 HydrophobicContact CD2-CG1 4Å; F233-I245 HydrophobicContact CE1-CB 4.36Å; F233-I245 HydrophobicContact CE1-CG1 4.1Å; F233-I245 HydrophobicContact CE2-CG1 4.23Å; F233-I245 HydrophobicContact CG-CG1 3.8Å; F233-I245 HydrophobicContact CZ-CG1 4.28Å; F233-I245 HydrophobicContact CZ-CG2 4.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.33Å; Q241-I245 PolarHBondContact O-N 3.26Å; L242-I245 WeakPolarHBondContact O-CB 3.43Å; L242-I245 PolarHBondContact O-N 2.92Å; L242-I245 VanDerWaalsContact O-N 3.11Å; V243-I245 VanDerWaalsContact C-N 3.32Å; I245-K247 VanDerWaalsContact C-N 3.25Å; I245-K247 PolarHBondContact O-N 3.02Å; I245-V248 PolarHBondContact O-N 3.5Å; I245-L249 HydrophobicContact CG2-CD1 3.78Å; I245-L249 HydrophobicContact CG2-CG 4.15Å; I245-L249 PolarHBondContact O-N 3Å; I245-Y307 HydrophobicContact CG2-CE1 3.64Å
246	A	98.7	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-33.8	176.3	0	0	0	0	0	113.6	L242 V243 V248 G250 T251 L254 L273 H276 Y307	L242-A246 WeakPolarHBondContact O-CB 3.43Å; L242-A246 PolarHBondContact O-N 3.27Å; V243-A246 PolarHBondContact O-N 3.28Å; A246-V248 PolarHBondContact O-N 3.12Å; A246-G250 CarbonylContact O-C 3.25Å; A246-G250 VanDerWaalsContact O-CA 3.23Å; A246-G250 WeakPolarHBondContact O-CA 3.36Å; A246-G250 PolarHBondContact O-N 2.94Å; A246-T251 HydrophobicContact CB-CG2 4.01Å; A246-L254 HydrophobicContact CB-CD2 4.32Å; A246-L273 HydrophobicContact CB-CD2 4.29Å; A246-H276 WeakPolarHBondContact O-CB 3.39Å; A246-Y307 WeakPolarHBondContact CA-OH 3.42Å; A246-Y307 PolarHBondContact N-OH 3.45Å
247	K	98.5	Very high	98.6	Very high	92 Å²	92	39.3 Å²	39.3	40%	0.4	19%	0.186	S	C	.	.	H	α-helix	trans	-66.8	-13.3	174.7	-77.1	167.3	-177.2	168.1	0	114.2	V243 I245 H276 K279	V243-K247 HydrophobicContact CG1-CD 4Å; V243-K247 VanDerWaalsContact CG1-CE 3.46Å; V243-K247 WeakPolarHBondContact O-CB 3.45Å; V243-K247 WeakPolarHBondContact O-CD 3.34Å; V243-K247 VanDerWaalsContact O-CG 3.28Å; V243-K247 WeakPolarHBondContact O-CG 3.45Å; V243-K247 PolarHBondContact O-N 3.27Å; I245-K247 VanDerWaalsContact C-N 3.25Å; I245-K247 PolarHBondContact O-N 3.02Å; K247-H276 WeakPolarHBondContact CE-NE2 3.05Å; K247-H276 WeakPolarHBondContact CG-CD2 3.37Å; K247-H276 WeakPolarHBondContact CG-NE2 3.32Å; K247-K279 WeakPolarHBondContact O-CE 3.45Å; K247-K279 WeakPolarHBondContact O-CG 3.16Å
248	V	98.7	Very high	98.6	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	17%	0.17	C	C	.	.	H	α-helix	trans	-114.1	-56.8	178.9	-176.9	0	0	0	0	112.1	F232 F233 I245 A246 G250 K279 W281 F284	F232-V248 HydrophobicContact CE1-CG1 4.31Å; F232-V248 HydrophobicContact CZ-CG1 4.48Å; F233-V248 HydrophobicContact CD1-CG2 4.44Å; F233-V248 HydrophobicContact CE1-CB 3.91Å; F233-V248 HydrophobicContact CE1-CG1 4.42Å; F233-V248 HydrophobicContact CE1-CG2 3.83Å; I245-V248 PolarHBondContact O-N 3.5Å; A246-V248 PolarHBondContact O-N 3.12Å; V248-G250 VanDerWaalsContact C-N 3.29Å; V248-G250 PolarHBondContact O-N 3.08Å; V248-K279 WeakPolarHBondContact O-CB 3.44Å; V248-K279 PolarHBondContact O-N 3.15Å; V248-W281 HydrophobicContact CG1-CH2 4.17Å; V248-W281 HydrophobicContact CG1-CZ3 3.95Å; V248-F284 HydrophobicContact CB-CZ 4.39Å; V248-F284 HydrophobicContact CG1-CE2 3.76Å; V248-F284 HydrophobicContact CG1-CZ 3.73Å; V248-F284 HydrophobicContact CG2-CZ 3.84Å
249	L	98.7	Very high	98.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-78.2	-15.1	-177.4	-60.6	-173.3	0	0	0	113	W216 I245 R278 W281 L305 Y307	W216-L249 HydrophobicContact CH2-CD1 3.67Å; W216-L249 HydrophobicContact CZ3-CD1 3.8Å; I245-L249 HydrophobicContact CG2-CD1 3.78Å; I245-L249 HydrophobicContact CG2-CG 4.15Å; I245-L249 PolarHBondContact O-N 3Å; L249-R278 VanDerWaalsContact O-CB 3.28Å; L249-R278 WeakPolarHBondContact O-CB 3.5Å; L249-R278 VanDerWaalsContact O-CG 3.29Å; L249-R278 WeakPolarHBondContact O-CG 3.41Å; L249-W281 HydrophobicContact CD2-CH2 3.84Å; L249-W281 HydrophobicContact CD2-CZ2 3.84Å; L249-L305 HydrophobicContact CD1-CB 4.46Å; L249-L305 WeakPolarHBondContact CD1-O 3.34Å; L249-L305 HydrophobicContact CD2-CB 4.32Å; L249-L305 WeakPolarHBondContact CD2-O 3.27Å; L249-Y307 HydrophobicContact CB-CD2 4.3Å; L249-Y307 HydrophobicContact CB-CE2 3.43Å; L249-Y307 VanDerWaalsContact CB-CE2 3.43Å; L249-Y307 HydrophobicContact CD1-CD2 4.3Å; L249-Y307 HydrophobicContact CD1-CE2 4.02Å; L249-Y307 HydrophobicContact CG-CE2 4.38Å
250	G	98.6	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.			trans	94.9	166.4	-177	0	0	0	0	0	112.9	A246 V248 H276 Y307	A246-G250 CarbonylContact O-C 3.25Å; A246-G250 VanDerWaalsContact O-CA 3.23Å; A246-G250 WeakPolarHBondContact O-CA 3.36Å; A246-G250 PolarHBondContact O-N 2.94Å; V248-G250 VanDerWaalsContact C-N 3.29Å; V248-G250 PolarHBondContact O-N 3.08Å; G250-H276 CarbonylContact C-O 3.45Å; G250-H276 WeakPolarHBondContact CA-O 3.49Å; G250-Y307 PolarHBondContact O-OH 3.04Å
251	T	98.5	Very high	98.6	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.074	19%	0.186	C	C	.	.	S	Bend	trans	-93.7	-18.5	175.6	48	0	0	0	0	113.1	A246 L254 Y255 H276	A246-T251 HydrophobicContact CB-CG2 4.01Å; T251-L254 PolarHBondContact O-N 3.01Å; T251-Y255 WeakPolarHBondContact O-CD2 3.45Å; T251-Y255 PolarHBondContact O-N 3.13Å; T251-H276 HydrophobicContact CG2-CB 4.19Å; T251-H276 PolarHBondContact N-O 2.78Å; T251-H276 PolarHBondContact OG1-N 3.13Å; T251-H276 PolarHBondContact OG1-O 3.25Å
252	E	98.5	Very high	98.6	Very high	140 Å²	140	42.3 Å²	42.3	65%	0.654	20%	0.201	S	C	*	.	H	α-helix	trans	-67.1	-61.8	-178.4	-162.4	163.5	179.9	0	0	110	L254 Y255 D256	E252-L254 PolarHBondContact O-N 2.71Å; E252-Y255 PolarHBondContact O-N 3.12Å; E252-D256 PolarHBondContact O-N 2.99Å
253	D	98.4	Very high	98.5	Very high	56 Å²	56	43.1 Å²	43.1	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-51.5	-21.1	171.1	-49.9	24	0	0	0	114.7	Y257 R278 Y307	D253-Y257 WeakPolarHBondContact O-CB 3.18Å; D253-Y257 PolarHBondContact O-N 3.26Å; D253-R278 IonicContact OD2-CZ 3.12Å; D253-R278 IonicContact OD2-NH1 3.13Å; D253-R278 PolarHBondContact OD2-NH1 3.31Å; D253-Y307 HydrophobicContact CB-CD2 3.59Å; D253-Y307 HydrophobicContact CB-CE2 3.89Å; D253-Y307 WeakPolarHBondContact O-CD2 3.25Å
254	L	98.7	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-84	-45.5	177.6	173.8	58.3	0	0	0	111.9	L242 A246 T251 E252 Y257 I258 L273 Y307	L242-L254 HydrophobicContact CD1-CD1 4.28Å; L242-L254 HydrophobicContact CD1-CD2 4.48Å; L242-L254 HydrophobicContact CD2-CD2 4.42Å; L242-L254 HydrophobicContact CG-CD2 4.33Å; A246-L254 HydrophobicContact CB-CD2 4.32Å; T251-L254 PolarHBondContact O-N 3.01Å; E252-L254 PolarHBondContact O-N 2.71Å; L254-Y257 PolarHBondContact O-N 2.97Å; L254-I258 HydrophobicContact CD1-CD1 3.93Å; L254-I258 HydrophobicContact CD1-CG1 4.39Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 WeakPolarHBondContact O-CD1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.25Å; L254-I258 PolarHBondContact O-N 2.89Å; L254-L273 HydrophobicContact CD2-CD1 4.04Å; L254-L273 HydrophobicContact CD2-CD2 4.06Å; L254-Y307 HydrophobicContact CB-CD1 4.3Å; L254-Y307 HydrophobicContact CB-CD2 4.25Å; L254-Y307 HydrophobicContact CB-CE1 3.95Å; L254-Y307 HydrophobicContact CB-CE2 3.87Å; L254-Y307 HydrophobicContact CB-CG 4.44Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.68Å; L254-Y307 HydrophobicContact CD1-CG 4.47Å; L254-Y307 HydrophobicContact CD2-CE1 4.37Å; L254-Y307 HydrophobicContact CG-CE1 4.2Å
255	Y	98.4	Very high	98.4	Very high	82 Å²	82	48.5 Å²	48.5	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-69.1	-39.3	176.4	-68.3	-58.4	0	0	0	110.9	T251 E252 Y257 I258 D259	T251-Y255 WeakPolarHBondContact O-CD2 3.45Å; T251-Y255 PolarHBondContact O-N 3.13Å; E252-Y255 PolarHBondContact O-N 3.12Å; Y255-Y257 PolarHBondContact O-N 2.79Å; Y255-I258 HydrophobicContact CD1-CD1 4.19Å; Y255-I258 PolarHBondContact O-N 3.16Å; Y255-I258 VanDerWaalsContact O-N 3.1Å; Y255-D259 WeakPolarHBondContact O-CB 3.4Å; Y255-D259 PolarHBondContact O-N 2.79Å
256	D	98.6	Very high	98.3	Very high	105 Å²	105	50.4 Å²	50.4	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-56.6	-38.3	172	-72.5	2	0	0	0	112.3	E252 K260	E252-D256 PolarHBondContact O-N 2.99Å; D256-K260 WeakPolarHBondContact O-CB 3.09Å; D256-K260 PolarHBondContact O-N 3.48Å
257	Y	98.7	Very high	98.2	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-42.6	175.2	167.3	-110.3	0	0	0	112.6	V204 D253 L254 Y255 Y261 I263 D308 H309	V204-Y257 HydrophobicContact CG2-CE1 4.07Å; D253-Y257 WeakPolarHBondContact O-CB 3.18Å; D253-Y257 PolarHBondContact O-N 3.26Å; L254-Y257 PolarHBondContact O-N 2.97Å; Y255-Y257 PolarHBondContact O-N 2.79Å; Y257-Y261 AromaticContact CD2-CD2 3.54Å; Y257-Y261 HydrophobicContact CD2-CD2 3.54Å; Y257-Y261 AromaticContact CD2-CE2 3.64Å; Y257-Y261 HydrophobicContact CD2-CE2 3.64Å; Y257-Y261 AromaticContact CE2-CD2 3.38Å; Y257-Y261 HydrophobicContact CE2-CD2 3.38Å; Y257-Y261 AromaticContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CE2 3.47Å; Y257-Y261 VanDerWaalsContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CG 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3Å; Y257-Y261 PolarHBondContact O-N 3.45Å; Y257-I263 HydrophobicContact CD1-CD1 4.22Å; Y257-I263 HydrophobicContact CE1-CD1 3.69Å; Y257-D308 VanDerWaalsContact CD2-CA 3.42Å; Y257-D308 HydrophobicContact CD2-CB 3.94Å; Y257-H309 AromaticContact CE2-ND1 3.61Å
258	I	98.5	Very high	98.1	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-46.1	177	-74.5	163.5	0	0	0	110.5	L254 Y255 Y261 N262 I263 L265	L254-I258 HydrophobicContact CD1-CD1 3.93Å; L254-I258 HydrophobicContact CD1-CG1 4.39Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 WeakPolarHBondContact O-CD1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.25Å; L254-I258 PolarHBondContact O-N 2.89Å; Y255-I258 HydrophobicContact CD1-CD1 4.19Å; Y255-I258 PolarHBondContact O-N 3.16Å; Y255-I258 VanDerWaalsContact O-N 3.1Å; I258-Y261 PolarHBondContact O-N 2.82Å; I258-N262 WeakPolarHBondContact O-CA 3.23Å; I258-N262 PolarHBondContact O-N 2.92Å; I258-I263 HydrophobicContact CG2-CB 4.26Å; I258-I263 PolarHBondContact O-N 2.75Å; I258-L265 HydrophobicContact CD1-CD1 3.98Å; I258-L265 HydrophobicContact CD1-CD2 4.09Å; I258-L265 HydrophobicContact CD1-CG 4.48Å
259	D	98.4	Very high	98	Very high	123 Å²	123	56.9 Å²	56.9	66%	0.658	28%	0.277	S	S	*	.	H	α-helix	trans	-69	-44.5	179.7	-72.4	-3.5	0	0	0	111.3	Y255 Y261 N262	Y255-D259 WeakPolarHBondContact O-CB 3.4Å; Y255-D259 PolarHBondContact O-N 2.79Å; D259-Y261 PolarHBondContact O-N 3.35Å; D259-Y261 VanDerWaalsContact O-N 3.16Å; D259-N262 PolarHBondContact O-N 3.15Å; D259-N262 VanDerWaalsContact O-N 3.1Å
260	K	98.6	Very high	97.8	Very high	97 Å²	97	62 Å²	62	42%	0.422	30%	0.304	S	S	.	.	H	α-helix	trans	-51.9	-39.2	175.8	175.9	-176	174.5	-167.8	0	112.4	D256 D308	D256-K260 WeakPolarHBondContact O-CB 3.09Å; D256-K260 PolarHBondContact O-N 3.48Å; K260-D308 IonicContact NZ-OD1 3.72Å; K260-D308 PolarHBondContact NZ-OD1 3.19Å; K260-D308 IonicContact NZ-OD2 3.51Å; K260-D308 PolarHBondContact NZ-OD2 2.83Å
261	Y	98.6	Very high	97.6	Very high	5 Å²	5	69.1 Å²	69.1	2%	0.02	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	7.1	-178.3	-67.5	-77.6	0	0	0	114.5	P4 V5 Y206 Y257 I258 D259 I263 D308 H309 Q310	P4-Y261 CarbonylContact C-O 3.46Å; P4-Y261 WeakPolarHBondContact CA-O 3.23Å; V5-Y261 HydrophobicContact CB-CD1 4.38Å; V5-Y261 PolarHBondContact N-O 2.63Å; Y206-Y261 HydrophobicContact CE2-CD1 4.16Å; Y206-Y261 HydrophobicContact CE2-CG 4.25Å; Y206-Y261 AromaticContact CZ-CD1 3.92Å; Y257-Y261 AromaticContact CD2-CD2 3.54Å; Y257-Y261 HydrophobicContact CD2-CD2 3.54Å; Y257-Y261 AromaticContact CD2-CE2 3.64Å; Y257-Y261 HydrophobicContact CD2-CE2 3.64Å; Y257-Y261 AromaticContact CE2-CD2 3.38Å; Y257-Y261 HydrophobicContact CE2-CD2 3.38Å; Y257-Y261 AromaticContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CE2 3.47Å; Y257-Y261 VanDerWaalsContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CG 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3Å; Y257-Y261 PolarHBondContact O-N 3.45Å; I258-Y261 PolarHBondContact O-N 2.82Å; D259-Y261 PolarHBondContact O-N 3.35Å; D259-Y261 VanDerWaalsContact O-N 3.16Å; Y261-I263 VanDerWaalsContact C-N 3.34Å; Y261-I263 PolarHBondContact O-N 2.8Å; Y261-D308 VanDerWaalsContact CE2-OD1 3.23Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.21Å; Y261-D308 PolarHBondContact OH-OD1 3.42Å; Y261-H309 AromaticContact CE1-CE1 3.86Å; Y261-H309 AromaticContact CE2-CE1 3.72Å; Y261-H309 AromaticContact CZ-CE1 3.44Å; Y261-H309 VanDerWaalsContact CZ-CE1 3.44Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.4Å; Y261-Q310 PolarHBondContact OH-NE2 3.27Å
262	N	98.3	Very high	97.5	Very high	60 Å²	60	71.9 Å²	71.9	32%	0.321	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	53	-177.4	-174.9	53.6	0	0	0	112.4	S2 G3 V5 I258 D259	S2-N262 PolarHBondContact O-ND2 3.09Å; S2-N262 PolarHBondContact OG-ND2 3.45Å; G3-N262 PolarHBondContact O-ND2 2.66Å; V5-N262 HydrophobicContact CG2-CB 3.98Å; I258-N262 WeakPolarHBondContact O-CA 3.23Å; I258-N262 PolarHBondContact O-N 2.92Å; D259-N262 PolarHBondContact O-N 3.15Å; D259-N262 VanDerWaalsContact O-N 3.1Å
263	I	98.2	Very high	97.4	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.087	33%	0.325	C	S	.	.			trans	-86.3	123.8	-174.1	-54.9	174.2	0	0	0	110.3	V204 Y206 Y257 I258 Y261 L265	V204-I263 HydrophobicContact CB-CG2 4.03Å; V204-I263 HydrophobicContact CG2-CD1 3.83Å; V204-I263 HydrophobicContact CG2-CG2 3.9Å; V204-I263 WeakPolarHBondContact O-CG2 3.37Å; Y206-I263 HydrophobicContact CD2-CD1 4.1Å; Y206-I263 HydrophobicContact CD2-CG1 3.98Å; Y206-I263 HydrophobicContact CG-CD1 4.35Å; Y257-I263 HydrophobicContact CD1-CD1 4.22Å; Y257-I263 HydrophobicContact CE1-CD1 3.69Å; I258-I263 HydrophobicContact CG2-CB 4.26Å; I258-I263 PolarHBondContact O-N 2.75Å; Y261-I263 VanDerWaalsContact C-N 3.34Å; Y261-I263 PolarHBondContact O-N 2.8Å; I263-L265 PolarHBondContact O-N 2.78Å
264	E	97	Very high	97.3	Very high	169 Å²	169	64.4 Å²	64.4	79%	0.79	33%	0.33	S	S	*	.			trans	-74.9	95.9	172.1	-170.1	174.9	170.2	0	0	110.2
265	L	96.7	Very high	97.2	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.152	37%	0.371	C	S	.	.			trans	-70.6	127.5	-178.9	-171.2	70.5	0	0	0	111.3	V204 I258 I263 F269 L273	V204-L265 HydrophobicContact CB-CD1 4.18Å; V204-L265 HydrophobicContact CG1-CD1 3.73Å; I258-L265 HydrophobicContact CD1-CD1 3.98Å; I258-L265 HydrophobicContact CD1-CD2 4.09Å; I258-L265 HydrophobicContact CD1-CG 4.48Å; I263-L265 PolarHBondContact O-N 2.78Å; L265-F269 HydrophobicContact CD1-CB 4.23Å; L265-F269 HydrophobicContact CD1-CD2 3.46Å; L265-F269 VanDerWaalsContact CD1-CD2 3.46Å; L265-F269 HydrophobicContact CD1-CE2 4.03Å; L265-F269 HydrophobicContact CD1-CG 4Å; L265-F269 HydrophobicContact CD2-CB 3.73Å; L265-F269 HydrophobicContact CD2-CD2 4.5Å; L265-F269 HydrophobicContact CD2-CG 4.4Å; L265-F269 HydrophobicContact CG-CB 3.88Å; L265-F269 HydrophobicContact CG-CD2 3.78Å; L265-F269 HydrophobicContact CG-CG 4.16Å; L265-L273 HydrophobicContact CD2-CD1 4.03Å
266	D	97.2	Very high	97.2	Very high	40 Å²	40	74 Å²	74	21%	0.214	37%	0.368	C	S	.	.			trans	-51.6	123	176	-176.1	-39	0	0	0	110.9	Y239 R268 F269	Y239-D266 HydrophobicContact CE1-CB 4.15Å; Y239-D266 WeakPolarHBondContact CE1-OD2 3.24Å; Y239-D266 PolarHBondContact OH-OD2 3.12Å; D266-R268 PolarHBondContact O-N 3.44Å; D266-R268 WeakPolarHBondContact OD1-CB 3.37Å; D266-R268 IonicContact OD1-CZ 3.63Å; D266-R268 PolarHBondContact OD1-N 3.38Å; D266-R268 VanDerWaalsContact OD1-N 3.08Å; D266-R268 IonicContact OD1-NE 3.29Å; D266-R268 PolarHBondContact OD1-NE 3.25Å; D266-R268 IonicContact OD1-NH2 2.83Å; D266-R268 IonicContact OD2-CZ 3.92Å; D266-R268 VanDerWaalsContact OD2-CZ 3.23Å; D266-R268 IonicContact OD2-NE 2.63Å; D266-R268 PolarHBondContact OD2-NE 3.18Å; D266-R268 VanDerWaalsContact OD2-NE 3.16Å; D266-R268 IonicContact OD2-NH2 3.43Å; D266-R268 PolarHBondContact OD2-NH2 3.06Å; D266-F269 HydrophobicContact CB-CD2 3.86Å; D266-F269 HydrophobicContact CB-CE2 4.04Å; D266-F269 WeakPolarHBondContact O-CB 3.37Å; D266-F269 WeakPolarHBondContact O-CD2 3.21Å; D266-F269 PolarHBondContact O-N 2.87Å
267	P	96.8	Very high	97.2	Very high	91 Å²	91	72.8 Å²	72.8	59%	0.591	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-54.5	-20.4	-174.3	-30.7	36.3	0	0	0	115.5	F269 N270	P267-F269 PolarHBondContact O-N 2.93Å; P267-N270 WeakPolarHBondContact O-CB 3.22Å; P267-N270 VanDerWaalsContact O-CG 3.27Å; P267-N270 PolarHBondContact O-N 3.19Å; P267-N270 PolarHBondContact O-ND2 3.42Å
268	R	96.3	Very high	97.2	Very high	148 Å²	148	76.3 Å²	76.3	56%	0.558	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20	172.7	-73.6	172	-80.3	-160.4	-9.2	114	Y239 D266 I272	Y239-R268 HydrophobicContact CD1-CB 4.09Å; Y239-R268 HydrophobicContact CE1-CB 4.03Å; Y239-R268 PolarHBondContact OH-NE 3.28Å; Y239-R268 PolarHBondContact OH-NH2 3.47Å; D266-R268 PolarHBondContact O-N 3.44Å; D266-R268 WeakPolarHBondContact OD1-CB 3.37Å; D266-R268 IonicContact OD1-CZ 3.63Å; D266-R268 PolarHBondContact OD1-N 3.38Å; D266-R268 VanDerWaalsContact OD1-N 3.08Å; D266-R268 IonicContact OD1-NE 3.29Å; D266-R268 PolarHBondContact OD1-NE 3.25Å; D266-R268 IonicContact OD1-NH2 2.83Å; D266-R268 IonicContact OD2-CZ 3.92Å; D266-R268 VanDerWaalsContact OD2-CZ 3.23Å; D266-R268 IonicContact OD2-NE 2.63Å; D266-R268 PolarHBondContact OD2-NE 3.18Å; D266-R268 VanDerWaalsContact OD2-NE 3.16Å; D266-R268 IonicContact OD2-NH2 3.43Å; D266-R268 PolarHBondContact OD2-NH2 3.06Å; R268-I272 WeakPolarHBondContact O-CD1 3.48Å; R268-I272 WeakPolarHBondContact O-CG1 3.48Å
269	F	97.2	Very high	97.2	Very high	2 Å²	2	77.7 Å²	77.7	1%	0.009	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-74.5	-24.4	177.1	-75.8	-63.2	0	0	0	113.8	L203 Y239 L242 L265 D266 P267 D271 I272 L273	L203-F269 WeakPolarHBondContact O-CE2 3.35Å; L203-F269 WeakPolarHBondContact O-CZ 3.46Å; Y239-F269 HydrophobicContact CD1-CD1 4.16Å; Y239-F269 HydrophobicContact CD1-CD2 4.23Å; Y239-F269 AromaticContact CD1-CE1 3.66Å; Y239-F269 HydrophobicContact CD1-CE1 3.66Å; Y239-F269 AromaticContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CG 4.42Å; Y239-F269 AromaticContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CD1-CZ 3.45Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CE1-CD2 4.36Å; Y239-F269 AromaticContact CE1-CE2 3.83Å; Y239-F269 HydrophobicContact CE1-CE2 3.83Å; Y239-F269 AromaticContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CG-CE1 4.32Å; Y239-F269 HydrophobicContact CG-CZ 4.3Å; L242-F269 HydrophobicContact CB-CE1 3.77Å; L242-F269 HydrophobicContact CB-CZ 4.29Å; L242-F269 HydrophobicContact CD2-CD1 4.01Å; L242-F269 HydrophobicContact CD2-CE1 3.6Å; L242-F269 HydrophobicContact CD2-CE2 4.34Å; L242-F269 HydrophobicContact CD2-CZ 3.78Å; L242-F269 HydrophobicContact CG-CE1 4.28Å; L265-F269 HydrophobicContact CD1-CB 4.23Å; L265-F269 HydrophobicContact CD1-CD2 3.46Å; L265-F269 VanDerWaalsContact CD1-CD2 3.46Å; L265-F269 HydrophobicContact CD1-CE2 4.03Å; L265-F269 HydrophobicContact CD1-CG 4Å; L265-F269 HydrophobicContact CD2-CB 3.73Å; L265-F269 HydrophobicContact CD2-CD2 4.5Å; L265-F269 HydrophobicContact CD2-CG 4.4Å; L265-F269 HydrophobicContact CG-CB 3.88Å; L265-F269 HydrophobicContact CG-CD2 3.78Å; L265-F269 HydrophobicContact CG-CG 4.16Å; D266-F269 HydrophobicContact CB-CD2 3.86Å; D266-F269 HydrophobicContact CB-CE2 4.04Å; D266-F269 WeakPolarHBondContact O-CB 3.37Å; D266-F269 WeakPolarHBondContact O-CD2 3.21Å; D266-F269 PolarHBondContact O-N 2.87Å; P267-F269 PolarHBondContact O-N 2.93Å; F269-D271 VanDerWaalsContact C-N 3.31Å; F269-D271 PolarHBondContact O-N 2.99Å; F269-I272 HydrophobicContact CD1-CD1 3.98Å; F269-I272 HydrophobicContact CD1-CG1 4.29Å; F269-I272 HydrophobicContact CE1-CD1 4.46Å; F269-I272 PolarHBondContact O-N 3.17Å; F269-L273 HydrophobicContact CB-CD1 3.85Å; F269-L273 HydrophobicContact CB-CG 4.08Å; F269-L273 HydrophobicContact CD1-CD1 4.35Å; F269-L273 HydrophobicContact CD1-CD2 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.09Å; F269-L273 HydrophobicContact CG-CD1 4.36Å; F269-L273 HydrophobicContact CG-CG 4.49Å; F269-L273 PolarHBondContact O-N 2.72Å; F269-L273 VanDerWaalsContact O-N 3.1Å
270	N	93.1	Very high	97.2	Very high	108 Å²	108	80.1 Å²	80.1	58%	0.578	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-44	-174.4	-65.7	-16.5	0	0	0	112.6	P267	P267-N270 WeakPolarHBondContact O-CB 3.22Å; P267-N270 VanDerWaalsContact O-CG 3.27Å; P267-N270 PolarHBondContact O-N 3.19Å; P267-N270 PolarHBondContact O-ND2 3.42Å
271	D	94.4	Very high	97.2	Very high	151 Å²	151	76.2 Å²	76.2	81%	0.807	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.6	-174.6	-58.1	-45.8	0	0	0	113.9	F269	F269-D271 VanDerWaalsContact C-N 3.31Å; F269-D271 PolarHBondContact O-N 2.99Å
272	I	97	Very high	97.1	Very high	69 Å²	69	80 Å²	80	35%	0.354	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-24.6	-166.8	66.1	175.6	0	0	0	115.3	V243 R268 F269	V243-I272 WeakPolarHBondContact CG1-O 3.47Å; V243-I272 HydrophobicContact CG2-CB 4.01Å; V243-I272 HydrophobicContact CG2-CD1 3.9Å; V243-I272 HydrophobicContact CG2-CG1 3.76Å; V243-I272 WeakPolarHBondContact CG2-O 3.46Å; R268-I272 WeakPolarHBondContact O-CD1 3.48Å; R268-I272 WeakPolarHBondContact O-CG1 3.48Å; F269-I272 HydrophobicContact CD1-CD1 3.98Å; F269-I272 HydrophobicContact CD1-CG1 4.29Å; F269-I272 HydrophobicContact CE1-CD1 4.46Å; F269-I272 PolarHBondContact O-N 3.17Å
273	L	97.2	Very high	97.1	Very high	0 Å²	0	86.1 Å²	86.1	0%	0	41%	0.406	C	S	.	.	S	Bend	trans	-71	-36.7	177.8	-72.7	178	0	0	0	112.2	L242 V243 A246 L254 L265 F269	L242-L273 HydrophobicContact CB-CD2 4.5Å; L242-L273 HydrophobicContact CD2-CD2 4.15Å; L242-L273 HydrophobicContact CG-CD2 4.03Å; V243-L273 HydrophobicContact CG2-CD2 4.09Å; A246-L273 HydrophobicContact CB-CD2 4.29Å; L254-L273 HydrophobicContact CD2-CD1 4.04Å; L254-L273 HydrophobicContact CD2-CD2 4.06Å; L265-L273 HydrophobicContact CD2-CD1 4.03Å; F269-L273 HydrophobicContact CB-CD1 3.85Å; F269-L273 HydrophobicContact CB-CG 4.08Å; F269-L273 HydrophobicContact CD1-CD1 4.35Å; F269-L273 HydrophobicContact CD1-CD2 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.09Å; F269-L273 HydrophobicContact CG-CD1 4.36Å; F269-L273 HydrophobicContact CG-CG 4.49Å; F269-L273 PolarHBondContact O-N 2.72Å; F269-L273 VanDerWaalsContact O-N 3.1Å
274	G	95.5	Very high	97.1	Very high	40 Å²	40	87.2 Å²	87.2	41%	0.412	41%	0.41	S	S	.	.			trans	60.5	-143.5	-177.5	0	0	0	0	0	113.2
275	R	97.5	Very high	97.2	Very high	229 Å²	229	81.6 Å²	81.6	86%	0.864	39%	0.387	S	S	*	.			trans	-134.1	125.8	172.4	-71.3	-173.6	175.8	-127.7	-3.1	110.4
276	H	98.1	Very high	97.2	Very high	54 Å²	54	84.1 Å²	84.1	25%	0.25	40%	0.398	C	S	.	.			trans	-140	131.2	-176.7	-62.8	-34.8	0	0	0	110.9	A246 K247 G250 T251	A246-H276 WeakPolarHBondContact O-CB 3.39Å; K247-H276 WeakPolarHBondContact CE-NE2 3.05Å; K247-H276 WeakPolarHBondContact CG-CD2 3.37Å; K247-H276 WeakPolarHBondContact CG-NE2 3.32Å; G250-H276 CarbonylContact C-O 3.45Å; G250-H276 WeakPolarHBondContact CA-O 3.49Å; T251-H276 HydrophobicContact CG2-CB 4.19Å; T251-H276 PolarHBondContact N-O 2.78Å; T251-H276 PolarHBondContact OG1-N 3.13Å; T251-H276 PolarHBondContact OG1-O 3.25Å
277	S	97.8	Very high	97.3	Very high	80 Å²	80	86.5 Å²	86.5	56%	0.559	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-71.2	150.6	168.8	50.7	0	0	0	0	111.9	K279	S277-K279 WeakPolarHBondContact O-CE 3.25Å; S277-K279 PolarHBondContact O-NZ 3.22Å; S277-K279 PolarHBondContact OG-NZ 2.99Å
278	R	98.5	Very high	97.2	Very high	78 Å²	78	88.8 Å²	88.8	29%	0.294	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-57	139.4	167.6	-171.4	170.7	-175.8	95.6	5.5	110.4	L249 D253 D302	L249-R278 VanDerWaalsContact O-CB 3.28Å; L249-R278 WeakPolarHBondContact O-CB 3.5Å; L249-R278 VanDerWaalsContact O-CG 3.29Å; L249-R278 WeakPolarHBondContact O-CG 3.41Å; D253-R278 IonicContact OD2-CZ 3.12Å; D253-R278 IonicContact OD2-NH1 3.13Å; D253-R278 PolarHBondContact OD2-NH1 3.31Å; R278-D302 IonicContact CZ-OD1 3.16Å; R278-D302 IonicContact NE-OD1 2.82Å; R278-D302 IonicContact NH2-OD1 2.79Å; R278-D302 PolarHBondContact NH2-OD1 2.65Å; R278-D302 IonicContact NH2-OD2 3.43Å
279	K	98.4	Very high	97.3	Very high	42 Å²	42	81.7 Å²	81.7	18%	0.183	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-101	135.5	-179.6	-53.5	-51.5	179.4	-130.4	0	110.2	K247 V248 S277	K247-K279 WeakPolarHBondContact O-CE 3.45Å; K247-K279 WeakPolarHBondContact O-CG 3.16Å; V248-K279 WeakPolarHBondContact O-CB 3.44Å; V248-K279 PolarHBondContact O-N 3.15Å; S277-K279 WeakPolarHBondContact O-CE 3.25Å; S277-K279 PolarHBondContact O-NZ 3.22Å; S277-K279 PolarHBondContact OG-NZ 2.99Å
280	R	98.3	Very high	97.3	Very high	174 Å²	174	87.5 Å²	87.5	66%	0.657	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-66.2	134.8	168.4	-55.2	-175.2	74.1	-94.9	-9.8	109	E282 R283	R280-E282 WeakPolarHBondContact CB-OE2 3.29Å; R280-E282 IonicContact CZ-OE1 3.1Å; R280-E282 IonicContact CZ-OE2 3.52Å; R280-E282 IonicContact NH1-OE1 2.71Å; R280-E282 PolarHBondContact NH1-OE1 2.84Å; R280-E282 IonicContact NH1-OE2 3.16Å; R280-E282 PolarHBondContact NH1-OE2 2.67Å; R280-E282 VanDerWaalsContact NH1-OE2 3.16Å; R280-E282 IonicContact NH2-OE1 2.7Å; R280-E282 PolarHBondContact NH2-OE1 2.79Å; R280-E282 IonicContact NH2-OE2 3.63Å; R280-E282 PolarHBondContact O-N 3.3Å; R280-R283 VanDerWaalsContact O-CB 3.28Å; R280-R283 WeakPolarHBondContact O-CB 3.2Å; R280-R283 PolarHBondContact O-N 3.21Å; R280-R283 VanDerWaalsContact O-N 3.11Å
281	W	98.7	Very high	97.5	Very high	14 Å²	14	87.7 Å²	87.7	5%	0.053	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.5	-171.7	-66.6	107.9	0	0	0	113.7	F227 F232 V248 L249 R283 F284 L298 L301 D302 L305	F227-W281 AromaticContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CZ3 4.46Å; F227-W281 HydrophobicContact CZ-CB 4.25Å; F227-W281 HydrophobicContact CZ-CE3 4.18Å; F232-W281 AromaticContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CZ-CE3 4.46Å; F232-W281 AromaticContact CZ-CZ3 3.87Å; F232-W281 HydrophobicContact CZ-CZ3 3.87Å; V248-W281 HydrophobicContact CG1-CH2 4.17Å; V248-W281 HydrophobicContact CG1-CZ3 3.95Å; L249-W281 HydrophobicContact CD2-CH2 3.84Å; L249-W281 HydrophobicContact CD2-CZ2 3.84Å; W281-R283 PolarHBondContact O-N 2.89Å; W281-F284 HydrophobicContact CE3-CD2 4.07Å; W281-F284 HydrophobicContact CE3-CE2 4.11Å; W281-F284 HydrophobicContact CZ3-CE2 4.43Å; W281-F284 WeakPolarHBondContact O-CD2 3.44Å; W281-F284 PolarHBondContact O-N 2.7Å; W281-L298 HydrophobicContact CB-CB 4.49Å; W281-L298 HydrophobicContact CB-CD1 4.17Å; W281-L298 HydrophobicContact CB-CD2 3.76Å; W281-L298 HydrophobicContact CB-CG 4.36Å; W281-L298 HydrophobicContact CG-CD2 4.48Å; W281-L301 HydrophobicContact CD2-CD2 4.38Å; W281-L301 HydrophobicContact CE3-CD2 3.96Å; W281-L301 HydrophobicContact CH2-CD2 4.33Å; W281-L301 HydrophobicContact CH2-CG 4.45Å; W281-L301 HydrophobicContact CZ3-CD2 3.93Å; W281-D302 PolarHBondContact NE1-OD1 2.64Å; W281-L305 HydrophobicContact CH2-CB 4.23Å; W281-L305 HydrophobicContact CH2-CD1 3.69Å; W281-L305 HydrophobicContact CZ2-CB 4.39Å; W281-L305 HydrophobicContact CZ3-CD1 4.32Å
282	E	97.6	Very high	97.7	Very high	86 Å²	86	80.5 Å²	80.5	40%	0.402	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61.3	-15.9	176.1	-55.1	99.4	118	0	0	113.1	R280 F284 V285 L298	R280-E282 WeakPolarHBondContact CB-OE2 3.29Å; R280-E282 IonicContact CZ-OE1 3.1Å; R280-E282 IonicContact CZ-OE2 3.52Å; R280-E282 IonicContact NH1-OE1 2.71Å; R280-E282 PolarHBondContact NH1-OE1 2.84Å; R280-E282 IonicContact NH1-OE2 3.16Å; R280-E282 PolarHBondContact NH1-OE2 2.67Å; R280-E282 VanDerWaalsContact NH1-OE2 3.16Å; R280-E282 IonicContact NH2-OE1 2.7Å; R280-E282 PolarHBondContact NH2-OE1 2.79Å; R280-E282 IonicContact NH2-OE2 3.63Å; R280-E282 PolarHBondContact O-N 3.3Å; E282-F284 PolarHBondContact O-N 2.7Å; E282-V285 PolarHBondContact O-N 3.37Å; E282-V285 VanDerWaalsContact O-N 3.1Å; E282-L298 HydrophobicContact CG-CD1 4.09Å
283	R	98	Very high	97.8	Very high	187 Å²	187	78.5 Å²	78.5	71%	0.706	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-58.8	-22.3	169.7	179.1	172	175.4	138	4	113.3	R280 W281	R280-R283 VanDerWaalsContact O-CB 3.28Å; R280-R283 WeakPolarHBondContact O-CB 3.2Å; R280-R283 PolarHBondContact O-N 3.21Å; R280-R283 VanDerWaalsContact O-N 3.11Å; W281-R283 PolarHBondContact O-N 2.89Å
284	F	98.4	Very high	97.8	Very high	40 Å²	40	79.5 Å²	79.5	18%	0.175	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-98.8	2.5	179.5	-53.6	-72.5	0	0	0	113.1	F227 F232 V248 W281 E282 N289	F227-F284 HydrophobicContact CB-CB 4.32Å; F227-F284 HydrophobicContact CD1-CB 3.58Å; F227-F284 HydrophobicContact CD2-CB 3.99Å; F227-F284 HydrophobicContact CE1-CB 3.79Å; F227-F284 HydrophobicContact CE2-CB 4.17Å; F227-F284 HydrophobicContact CE2-CD2 4.37Å; F227-F284 HydrophobicContact CG-CB 3.7Å; F227-F284 HydrophobicContact CZ-CB 4.08Å; F227-F284 HydrophobicContact CZ-CD2 4.46Å; F232-F284 HydrophobicContact CE2-CD1 4.06Å; F232-F284 HydrophobicContact CE2-CD2 4.29Å; F232-F284 HydrophobicContact CE2-CE1 4.38Å; F232-F284 HydrophobicContact CE2-CG 4.02Å; F232-F284 HydrophobicContact CZ-CD1 4.16Å; F232-F284 AromaticContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CE1 4.1Å; F232-F284 AromaticContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CG 4.1Å; F232-F284 AromaticContact CZ-CZ 3.97Å; F232-F284 HydrophobicContact CZ-CZ 3.97Å; V248-F284 HydrophobicContact CB-CZ 4.39Å; V248-F284 HydrophobicContact CG1-CE2 3.76Å; V248-F284 HydrophobicContact CG1-CZ 3.73Å; V248-F284 HydrophobicContact CG2-CZ 3.84Å; W281-F284 HydrophobicContact CE3-CD2 4.07Å; W281-F284 HydrophobicContact CE3-CE2 4.11Å; W281-F284 HydrophobicContact CZ3-CE2 4.43Å; W281-F284 WeakPolarHBondContact O-CD2 3.44Å; W281-F284 PolarHBondContact O-N 2.7Å; E282-F284 PolarHBondContact O-N 2.7Å; F284-N289 PolarHBondContact O-ND2 2.87Å
285	V	98.5	Very high	98	Very high	52 Å²	52	82.4 Å²	82.4	32%	0.315	39%	0.389	S	S	.	.			trans	-90	133.1	-179.4	-178	0	0	0	0	110.6	F227 E282 N289 Q290 V293	F227-V285 HydrophobicContact CE1-CG2 4.04Å; E282-V285 PolarHBondContact O-N 3.37Å; E282-V285 VanDerWaalsContact O-N 3.1Å; V285-N289 WeakPolarHBondContact CA-OD1 3.43Å; V285-Q290 HydrophobicContact CG1-CB 3.94Å; V285-V293 HydrophobicContact CG2-CB 4.27Å; V285-V293 HydrophobicContact CG2-CG1 3.8Å; V285-V293 HydrophobicContact CG2-CG2 4.23Å
286	H	97.9	Very high	98.1	Very high	82 Å²	82	75.3 Å²	75.3	38%	0.38	37%	0.366	S	S	.	.			trans	-146.3	172.1	173.6	56.3	108.2	0	0	0	110.9	E288 N289 Q290	H286-E288 IonicContact CE1-OE2 2.85Å; H286-E288 PolarHBondContact CE1-OE2 2.99Å; H286-E288 IonicContact ND1-OE2 3.05Å; H286-E288 PolarHBondContact ND1-OE2 2.67Å; H286-E288 PolarHBondContact O-N 2.66Å; H286-N289 PolarHBondContact CD2-ND2 3.21Å; H286-N289 PolarHBondContact N-OD1 2.93Å; H286-N289 PolarHBondContact NE2-ND2 3.31Å; H286-N289 VanDerWaalsContact NE2-ND2 3.11Å; H286-N289 PolarHBondContact O-N 3.16Å; H286-N289 PolarHBondContact O-OD1 3.27Å; H286-N289 VanDerWaalsContact O-OD1 3.11Å; H286-Q290 WeakPolarHBondContact O-CB 3.18Å; H286-Q290 PolarHBondContact O-N 3.07Å
287	S	97.6	Very high	98.1	Very high	90 Å²	90	72.8 Å²	72.8	63%	0.629	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.2	-175.7	46.9	0	0	0	0	114.7
288	E	96	Very high	98.1	Very high	138 Å²	138	70.1 Å²	70.1	65%	0.645	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.7	-178	-51.5	177.5	146.6	0	0	113.2	H286 H291	H286-E288 IonicContact CE1-OE2 2.85Å; H286-E288 PolarHBondContact CE1-OE2 2.99Å; H286-E288 IonicContact ND1-OE2 3.05Å; H286-E288 PolarHBondContact ND1-OE2 2.67Å; H286-E288 PolarHBondContact O-N 2.66Å; E288-H291 PolarHBondContact O-CE1 3.49Å; E288-H291 PolarHBondContact O-ND1 2.84Å
289	N	97.5	Very high	98.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-13.1	-173.8	77.9	11.8	0	0	0	114.6	F227 R228 F284 V285 H286 H291 L292	F227-N289 VanDerWaalsContact CA-ND2 3.3Å; F227-N289 WeakPolarHBondContact CA-ND2 3.37Å; F227-N289 PolarHBondContact O-ND2 3.45Å; R228-N289 HydrophobicContact CB-CB 4.45Å; R228-N289 HydrophobicContact CG-CB 4.3Å; F284-N289 PolarHBondContact O-ND2 2.87Å; V285-N289 WeakPolarHBondContact CA-OD1 3.43Å; H286-N289 PolarHBondContact CD2-ND2 3.21Å; H286-N289 PolarHBondContact N-OD1 2.93Å; H286-N289 PolarHBondContact NE2-ND2 3.31Å; H286-N289 VanDerWaalsContact NE2-ND2 3.11Å; H286-N289 PolarHBondContact O-N 3.16Å; H286-N289 PolarHBondContact O-OD1 3.27Å; H286-N289 VanDerWaalsContact O-OD1 3.11Å; N289-H291 PolarHBondContact O-N 3.27Å; N289-L292 WeakPolarHBondContact O-CB 3.41Å; N289-L292 PolarHBondContact O-N 3.06Å
290	Q	97.9	Very high	98.2	Very high	123 Å²	123	67.8 Å²	67.8	58%	0.575	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-53.2	-26.9	-179.7	65.5	-178.1	-0.5	0	0	114.3	V285 H286 L292 V293	V285-Q290 HydrophobicContact CG1-CB 3.94Å; H286-Q290 WeakPolarHBondContact O-CB 3.18Å; H286-Q290 PolarHBondContact O-N 3.07Å; Q290-L292 PolarHBondContact O-N 3.26Å; Q290-V293 PolarHBondContact O-N 2.82Å
291	H	97.8	Very high	98.2	Very high	112 Å²	112	59.5 Å²	59.5	52%	0.519	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-75.2	-4.8	178.2	72.3	-87.4	0	0	0	114	E288 N289	E288-H291 PolarHBondContact O-CE1 3.49Å; E288-H291 PolarHBondContact O-ND1 2.84Å; N289-H291 PolarHBondContact O-N 3.27Å
292	L	98.1	Very high	98.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-114	-1.4	177.1	-52.1	174.4	0	0	0	112.2	D130 I133 R228 N289 Q290	D130-L292 HydrophobicContact CB-CD2 4.29Å; I133-L292 HydrophobicContact CD1-CB 4.27Å; I133-L292 HydrophobicContact CD1-CD1 4.12Å; I133-L292 HydrophobicContact CD1-CD2 3.99Å; I133-L292 HydrophobicContact CD1-CG 4.35Å; R228-L292 HydrophobicContact CG-CD1 3.94Å; N289-L292 WeakPolarHBondContact O-CB 3.41Å; N289-L292 PolarHBondContact O-N 3.06Å; Q290-L292 PolarHBondContact O-N 3.26Å
293	V	98.4	Very high	98.3	Very high	27 Å²	27	59.2 Å²	59.2	16%	0.164	30%	0.297	C	S	.	.			trans	-115.9	116.8	-173.7	-178.9	0	0	0	0	109.7	I226 F227 V285 Q290 L298	I226-V293 HydrophobicContact CB-CG2 4.21Å; I226-V293 HydrophobicContact CG1-CG2 4.43Å; I226-V293 WeakPolarHBondContact O-CG2 3.2Å; F227-V293 HydrophobicContact CD1-CG2 4.02Å; F227-V293 HydrophobicContact CE1-CG1 4.48Å; F227-V293 HydrophobicContact CE1-CG2 3.99Å; V285-V293 HydrophobicContact CG2-CB 4.27Å; V285-V293 HydrophobicContact CG2-CG1 3.8Å; V285-V293 HydrophobicContact CG2-CG2 4.23Å; Q290-V293 PolarHBondContact O-N 2.82Å; V293-L298 HydrophobicContact CG1-CD1 3.88Å; V293-L298 HydrophobicContact CG1-CD2 3.55Å; V293-L298 HydrophobicContact CG1-CG 3.67Å
294	S	98.4	Very high	98.3	Very high	20 Å²	20	50.3 Å²	50.3	14%	0.14	26%	0.263	C	S	.	.			trans	-123.6	159.9	174.9	49.8	0	0	0	0	110	R134 E296 A297 L298	R134-S294 PolarHBondContact NH2-OG 3.26Å; R134-S294 VanDerWaalsContact NH2-OG 3.08Å; S294-E296 WeakPolarHBondContact CB-OE2 3.3Å; S294-E296 PolarHBondContact O-N 3.01Å; S294-A297 WeakPolarHBondContact O-CB 3.1Å; S294-A297 PolarHBondContact O-N 3.01Å; S294-A297 PolarHBondContact OG-N 3.07Å; S294-L298 PolarHBondContact O-N 2.8Å; S294-L298 VanDerWaalsContact O-N 3.08Å
295	P	98.6	Very high	98.3	Very high	102 Å²	102	48.4 Å²	48.4	66%	0.662	26%	0.255	S	S	*	.	H	α-helix	trans	-52.4	-39.5	175.4	-26.9	36	0	0	0	112.5	L298 D299	P295-L298 PolarHBondContact O-N 2.82Å; P295-D299 VanDerWaalsContact O-CB 3.22Å; P295-D299 WeakPolarHBondContact O-CB 3.14Å; P295-D299 PolarHBondContact O-N 3.05Å
296	E	98.7	Very high	98.3	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-36.5	176.9	-57.4	80.7	179.5	0	0	112.3	S294 F300 H321 P322 Y323	S294-E296 WeakPolarHBondContact CB-OE2 3.3Å; S294-E296 PolarHBondContact O-N 3.01Å; E296-F300 WeakPolarHBondContact O-CB 3.07Å; E296-F300 PolarHBondContact O-N 3.22Å; E296-H321 VanDerWaalsContact C-CE1 3.44Å; E296-H321 PolarHBondContact O-CE1 2.81Å; E296-P322 HydrophobicContact CG-CB 4.28Å; E296-Y323 HydrophobicContact CB-CD2 4.16Å
297	A	98.7	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-41.5	176	0	0	0	0	0	112	I226 S294 L301 Y323	I226-A297 HydrophobicContact CD1-CB 4.23Å; S294-A297 WeakPolarHBondContact O-CB 3.1Å; S294-A297 PolarHBondContact O-N 3.01Å; S294-A297 PolarHBondContact OG-N 3.07Å; A297-L301 VanDerWaalsContact O-CB 3.3Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 PolarHBondContact O-N 2.66Å; A297-Y323 HydrophobicContact CB-CD2 3.87Å; A297-Y323 HydrophobicContact CB-CE2 3.48Å; A297-Y323 VanDerWaalsContact CB-CE2 3.48Å
298	L	98.8	Very high	98.5	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-43	178.1	-62.6	-172.8	0	0	0	111.6	I226 F227 W281 E282 V293 S294 P295 L301 D302	I226-L298 HydrophobicContact CD1-CD2 4.23Å; F227-L298 HydrophobicContact CE1-CD2 3.9Å; F227-L298 HydrophobicContact CZ-CD2 3.59Å; W281-L298 HydrophobicContact CB-CB 4.49Å; W281-L298 HydrophobicContact CB-CD1 4.17Å; W281-L298 HydrophobicContact CB-CD2 3.76Å; W281-L298 HydrophobicContact CB-CG 4.36Å; W281-L298 HydrophobicContact CG-CD2 4.48Å; E282-L298 HydrophobicContact CG-CD1 4.09Å; V293-L298 HydrophobicContact CG1-CD1 3.88Å; V293-L298 HydrophobicContact CG1-CD2 3.55Å; V293-L298 HydrophobicContact CG1-CG 3.67Å; S294-L298 PolarHBondContact O-N 2.8Å; S294-L298 VanDerWaalsContact O-N 3.08Å; P295-L298 PolarHBondContact O-N 2.82Å; L298-L301 PolarHBondContact O-N 2.82Å; L298-D302 WeakPolarHBondContact O-CB 3.41Å; L298-D302 PolarHBondContact O-N 3.23Å
299	D	98.8	Very high	98.6	Very high	71 Å²	71	36.2 Å²	36.2	38%	0.38	18%	0.182	S	C	.	.	H	α-helix	trans	-65.6	-37.2	176.4	-179.7	61.1	0	0	0	112.5	P295 K303 H321	P295-D299 VanDerWaalsContact O-CB 3.22Å; P295-D299 WeakPolarHBondContact O-CB 3.14Å; P295-D299 PolarHBondContact O-N 3.05Å; D299-K303 WeakPolarHBondContact O-CG 3.45Å; D299-K303 PolarHBondContact O-N 3.01Å; D299-K303 IonicContact OD1-NZ 2.63Å; D299-K303 PolarHBondContact OD1-NZ 2.79Å; D299-K303 IonicContact OD2-NZ 2.66Å; D299-K303 PolarHBondContact OD2-NZ 3.34Å; D299-H321 IonicContact OD1-NE2 3.74Å; D299-H321 IonicContact OD2-CE1 3.08Å; D299-H321 PolarHBondContact OD2-CE1 2.88Å; D299-H321 IonicContact OD2-NE2 1.89Å; D299-H321 PolarHBondContact OD2-NE2 2.95Å
300	F	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-48.5	172.3	-179.6	-137.2	0	0	0	111.4	M137 L141 L222 E296 D302 K303 L304 L313 A318 H321 Y323 F324	M137-F300 HydrophobicContact CE-CE1 4.02Å; L141-F300 HydrophobicContact CD1-CZ 4.28Å; L222-F300 HydrophobicContact CD2-CD1 3.4Å; L222-F300 VanDerWaalsContact CD2-CD1 3.4Å; L222-F300 HydrophobicContact CD2-CE1 3.69Å; L222-F300 HydrophobicContact CD2-CG 4.3Å; E296-F300 WeakPolarHBondContact O-CB 3.07Å; E296-F300 PolarHBondContact O-N 3.22Å; F300-D302 PolarHBondContact O-N 2.78Å; F300-K303 PolarHBondContact O-N 2.93Å; F300-L304 HydrophobicContact CD2-CG 4.46Å; F300-L304 HydrophobicContact CE1-CD1 4Å; F300-L304 HydrophobicContact CE2-CD1 3.95Å; F300-L304 HydrophobicContact CE2-CD2 4.16Å; F300-L304 HydrophobicContact CE2-CG 4.02Å; F300-L304 HydrophobicContact CZ-CD1 3.65Å; F300-L304 HydrophobicContact CZ-CD2 4.44Å; F300-L304 HydrophobicContact CZ-CG 4.24Å; F300-L304 PolarHBondContact O-N 2.75Å; F300-L313 HydrophobicContact CD2-CD1 3.85Å; F300-L313 HydrophobicContact CE2-CD1 3.87Å; F300-A318 HydrophobicContact CE2-CB 3.6Å; F300-A318 HydrophobicContact CZ-CB 3.97Å; F300-H321 HydrophobicContact CD2-CB 4.06Å; F300-H321 AromaticContact CD2-CG 3.84Å; F300-H321 PolarHBondContact N-CE1 2.91Å; F300-Y323 HydrophobicContact CB-CG 4.49Å; F300-Y323 AromaticContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CE1 4.22Å; F300-Y323 HydrophobicContact CD1-CG 4.28Å; F300-Y323 HydrophobicContact CE1-CD1 4.18Å; F300-Y323 HydrophobicContact CG-CD1 4.37Å; F300-F324 HydrophobicContact CD1-CE2 4.12Å; F300-F324 HydrophobicContact CD1-CZ 4.14Å; F300-F324 AromaticContact CE1-CE2 3.56Å; F300-F324 HydrophobicContact CE1-CE2 3.56Å; F300-F324 AromaticContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE1-CZ 3.41Å; F300-F324 VanDerWaalsContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE2-CE2 4.02Å; F300-F324 AromaticContact CZ-CE2 3.51Å; F300-F324 HydrophobicContact CZ-CE2 3.51Å; F300-F324 AromaticContact CZ-CZ 3.71Å; F300-F324 HydrophobicContact CZ-CZ 3.71Å
301	L	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-41.7	-179.3	-179.6	62.7	0	0	0	112.4	G219 L222 A223 I226 F227 W281 A297 L298 K303 L304 L305	G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.49Å; L222-L301 HydrophobicContact CB-CD1 4.16Å; L222-L301 HydrophobicContact CD2-CB 3.91Å; L222-L301 HydrophobicContact CD2-CD1 3.95Å; L222-L301 HydrophobicContact CG-CD1 4.21Å; A223-L301 HydrophobicContact CB-CD1 3.88Å; A223-L301 HydrophobicContact CB-CD2 3.76Å; A223-L301 HydrophobicContact CB-CG 4.46Å; I226-L301 HydrophobicContact CD1-CD2 4.05Å; F227-L301 HydrophobicContact CE2-CD2 3.65Å; F227-L301 HydrophobicContact CZ-CD2 4.26Å; W281-L301 HydrophobicContact CD2-CD2 4.38Å; W281-L301 HydrophobicContact CE3-CD2 3.96Å; W281-L301 HydrophobicContact CH2-CD2 4.33Å; W281-L301 HydrophobicContact CH2-CG 4.45Å; W281-L301 HydrophobicContact CZ3-CD2 3.93Å; A297-L301 VanDerWaalsContact O-CB 3.3Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 PolarHBondContact O-N 2.66Å; L298-L301 PolarHBondContact O-N 2.82Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.92Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L305 HydrophobicContact CD1-CD1 3.66Å; L301-L305 HydrophobicContact CD1-CG 3.91Å; L301-L305 HydrophobicContact CG-CD1 4.11Å; L301-L305 PolarHBondContact O-N 2.96Å
302	D	98.8	Very high	98.7	Very high	31 Å²	31	30.7 Å²	30.7	17%	0.166	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-39.2	179	-167.9	90.4	0	0	0	111.9	R278 W281 L298 F300 L304 R306	R278-D302 IonicContact CZ-OD1 3.16Å; R278-D302 IonicContact NE-OD1 2.82Å; R278-D302 IonicContact NH2-OD1 2.79Å; R278-D302 PolarHBondContact NH2-OD1 2.65Å; R278-D302 IonicContact NH2-OD2 3.43Å; W281-D302 PolarHBondContact NE1-OD1 2.64Å; L298-D302 WeakPolarHBondContact O-CB 3.41Å; L298-D302 PolarHBondContact O-N 3.23Å; F300-D302 PolarHBondContact O-N 2.78Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 2.92Å; D302-R306 WeakPolarHBondContact O-CD 3.49Å; D302-R306 PolarHBondContact O-NE 2.72Å; D302-R306 IonicContact OD2-CZ 3.63Å; D302-R306 IonicContact OD2-NE 2.73Å; D302-R306 PolarHBondContact OD2-NE 3.17Å; D302-R306 VanDerWaalsContact OD2-NE 3.15Å; D302-R306 IonicContact OD2-NH2 3.35Å; D302-R306 PolarHBondContact OD2-NH2 3.32Å
303	K	98.9	Very high	98.8	Very high	63 Å²	63	31.8 Å²	31.8	27%	0.274	17%	0.169	S	C	.	.	H	α-helix	trans	-74.9	-11.8	176.8	-65.6	-176.3	179	70.9	0	114.3	D299 F300 L301 R312 L313 H321	D299-K303 WeakPolarHBondContact O-CG 3.45Å; D299-K303 PolarHBondContact O-N 3.01Å; D299-K303 IonicContact OD1-NZ 2.63Å; D299-K303 PolarHBondContact OD1-NZ 2.79Å; D299-K303 IonicContact OD2-NZ 2.66Å; D299-K303 PolarHBondContact OD2-NZ 3.34Å; F300-K303 PolarHBondContact O-N 2.93Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.92Å; K303-R312 WeakPolarHBondContact O-CA 3.26Å; K303-L313 HydrophobicContact CB-CD1 3.55Å; K303-L313 HydrophobicContact CB-CD2 4.43Å; K303-L313 HydrophobicContact CB-CG 3.75Å; K303-L313 HydrophobicContact CD-CD1 4.08Å; K303-L313 HydrophobicContact CD-CD2 4.17Å; K303-L313 HydrophobicContact CD-CG 4.34Å; K303-L313 PolarHBondContact O-N 2.86Å; K303-L313 VanDerWaalsContact O-N 3.15Å; K303-H321 PolarHBondContact NZ-NE2 3.02Å
304	L	98.9	Very high	98.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-91.1	-44.2	169.7	-66.8	179.5	0	0	0	112	M215 L222 F300 L301 D302 R306 R312 L313	M215-L304 HydrophobicContact CB-CD2 4.39Å; M215-L304 HydrophobicContact CE-CD2 3.72Å; L222-L304 HydrophobicContact CD2-CD1 4.27Å; F300-L304 HydrophobicContact CD2-CG 4.46Å; F300-L304 HydrophobicContact CE1-CD1 4Å; F300-L304 HydrophobicContact CE2-CD1 3.95Å; F300-L304 HydrophobicContact CE2-CD2 4.16Å; F300-L304 HydrophobicContact CE2-CG 4.02Å; F300-L304 HydrophobicContact CZ-CD1 3.65Å; F300-L304 HydrophobicContact CZ-CD2 4.44Å; F300-L304 HydrophobicContact CZ-CG 4.24Å; F300-L304 PolarHBondContact O-N 2.75Å; L301-L304 PolarHBondContact O-N 3.46Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 2.92Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 2.63Å; L304-R306 VanDerWaalsContact O-N 3.08Å; L304-R312 WeakPolarHBondContact O-CG 3.45Å; L304-L313 HydrophobicContact CD2-CB 4.22Å; L304-L313 HydrophobicContact CD2-CD1 4.45Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-88.7	69.9	-175.7	-65.5	-176.3	0	0	0	111.9	W216 A223 F233 L249 W281 L301	W216-L305 HydrophobicContact CD2-CD2 3.81Å; W216-L305 HydrophobicContact CE3-CD2 3.76Å; W216-L305 HydrophobicContact CG-CD2 4.48Å; W216-L305 HydrophobicContact CH2-CD2 3.99Å; W216-L305 HydrophobicContact CZ2-CD2 4.04Å; W216-L305 HydrophobicContact CZ3-CB 4.17Å; W216-L305 HydrophobicContact CZ3-CD2 3.86Å; A223-L305 HydrophobicContact CB-CD1 4.25Å; F233-L305 HydrophobicContact CE2-CD1 3.9Å; F233-L305 HydrophobicContact CE2-CD2 4.22Å; F233-L305 HydrophobicContact CZ-CD1 4.09Å; L249-L305 HydrophobicContact CD1-CB 4.46Å; L249-L305 WeakPolarHBondContact CD1-O 3.34Å; L249-L305 HydrophobicContact CD2-CB 4.32Å; L249-L305 WeakPolarHBondContact CD2-O 3.27Å; W281-L305 HydrophobicContact CH2-CB 4.23Å; W281-L305 HydrophobicContact CH2-CD1 3.69Å; W281-L305 HydrophobicContact CZ2-CB 4.39Å; W281-L305 HydrophobicContact CZ3-CD1 4.32Å; L301-L305 HydrophobicContact CD1-CD1 3.66Å; L301-L305 HydrophobicContact CD1-CG 3.91Å; L301-L305 HydrophobicContact CG-CD1 4.11Å; L301-L305 PolarHBondContact O-N 2.96Å
306	R	98.9	Very high	98.8	Very high	78 Å²	78	30.6 Å²	30.6	29%	0.294	15%	0.147	S	C	.	.			trans	-112.2	142.7	171.3	-56.6	-62.1	-179.5	82.5	-7.5	110.9	D302 L304 R312	D302-R306 WeakPolarHBondContact O-CD 3.49Å; D302-R306 PolarHBondContact O-NE 2.72Å; D302-R306 IonicContact OD2-CZ 3.63Å; D302-R306 IonicContact OD2-NE 2.73Å; D302-R306 PolarHBondContact OD2-NE 3.17Å; D302-R306 VanDerWaalsContact OD2-NE 3.15Å; D302-R306 IonicContact OD2-NH2 3.35Å; D302-R306 PolarHBondContact OD2-NH2 3.32Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 2.63Å; L304-R306 VanDerWaalsContact O-N 3.08Å; R306-R312 HydrophobicContact CB-CG 4.02Å; R306-R312 PolarHBondContact O-NE 3.34Å; R306-R312 PolarHBondContact O-NH2 2.7Å
307	Y	98.9	Very high	98.8	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	14%	0.142	C	C	.	.	S	Bend	trans	-61.4	-62.4	174.4	-74.2	-71.9	0	0	0	110.9	P200 L242 I245 A246 L249 G250 D253 L254 H309 R312	P200-Y307 HydrophobicContact CB-CD1 3.81Å; P200-Y307 HydrophobicContact CB-CE1 4.41Å; P200-Y307 HydrophobicContact CG-CD1 3.62Å; P200-Y307 HydrophobicContact CG-CE1 4.12Å; L242-Y307 HydrophobicContact CD1-CE1 4.38Å; I245-Y307 HydrophobicContact CG2-CE1 3.64Å; A246-Y307 WeakPolarHBondContact CA-OH 3.42Å; A246-Y307 PolarHBondContact N-OH 3.45Å; L249-Y307 HydrophobicContact CB-CD2 4.3Å; L249-Y307 HydrophobicContact CB-CE2 3.43Å; L249-Y307 VanDerWaalsContact CB-CE2 3.43Å; L249-Y307 HydrophobicContact CD1-CD2 4.3Å; L249-Y307 HydrophobicContact CD1-CE2 4.02Å; L249-Y307 HydrophobicContact CG-CE2 4.38Å; G250-Y307 PolarHBondContact O-OH 3.04Å; D253-Y307 HydrophobicContact CB-CD2 3.59Å; D253-Y307 HydrophobicContact CB-CE2 3.89Å; D253-Y307 WeakPolarHBondContact O-CD2 3.25Å; L254-Y307 HydrophobicContact CB-CD1 4.3Å; L254-Y307 HydrophobicContact CB-CD2 4.25Å; L254-Y307 HydrophobicContact CB-CE1 3.95Å; L254-Y307 HydrophobicContact CB-CE2 3.87Å; L254-Y307 HydrophobicContact CB-CG 4.44Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.68Å; L254-Y307 HydrophobicContact CD1-CG 4.47Å; L254-Y307 HydrophobicContact CD2-CE1 4.37Å; L254-Y307 HydrophobicContact CG-CE1 4.2Å; Y307-H309 PolarHBondContact O-N 3.11Å; Y307-R312 PolarHBondContact O-NH2 3.38Å
308	D	98.9	Very high	98.9	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.112	14%	0.142	C	C	.	.	S	Bend	trans	-55.1	110.9	171	176.7	32.4	0	0	0	110.8	Y257 K260 Y261 Q310 S311	Y257-D308 VanDerWaalsContact CD2-CA 3.42Å; Y257-D308 HydrophobicContact CD2-CB 3.94Å; K260-D308 IonicContact NZ-OD1 3.72Å; K260-D308 PolarHBondContact NZ-OD1 3.19Å; K260-D308 IonicContact NZ-OD2 3.51Å; K260-D308 PolarHBondContact NZ-OD2 2.83Å; Y261-D308 VanDerWaalsContact CE2-OD1 3.23Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.21Å; Y261-D308 PolarHBondContact OH-OD1 3.42Å; D308-Q310 VanDerWaalsContact C-N 3.27Å; D308-Q310 PolarHBondContact O-N 3.04Å; D308-Q310 PolarHBondContact OD1-N 3.06Å; D308-S311 WeakPolarHBondContact O-CB 3.5Å; D308-S311 PolarHBondContact O-N 3Å; D308-S311 WeakPolarHBondContact OD2-CB 3.36Å; D308-S311 PolarHBondContact OD2-N 2.65Å; D308-S311 PolarHBondContact OD2-OG 2.86Å
309	H	98.9	Very high	98.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.5	-32.2	-177.5	56.2	-80.2	0	0	0	112.1	S7 Y206 D210 S212 Y257 Y261 Y307 S311 R312	S7-H309 WeakPolarHBondContact CB-NE2 3.49Å; S7-H309 PolarHBondContact OG-NE2 2.94Å; Y206-H309 AromaticContact CE1-CE1 3.67Å; D210-H309 IonicContact OD2-CD2 2.73Å; S212-H309 WeakPolarHBondContact CB-O 3.32Å; S212-H309 WeakPolarHBondContact OG-CB 3.33Å; S212-H309 PolarHBondContact OG-O 2.98Å; Y257-H309 AromaticContact CE2-ND1 3.61Å; Y261-H309 AromaticContact CE1-CE1 3.86Å; Y261-H309 AromaticContact CE2-CE1 3.72Å; Y261-H309 AromaticContact CZ-CE1 3.44Å; Y261-H309 VanDerWaalsContact CZ-CE1 3.44Å; Y307-H309 PolarHBondContact O-N 3.11Å; H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact O-N 2.7Å; H309-R312 PolarHBondContact O-N 2.82Å
310	Q	98.8	Very high	98.8	Very high	55 Å²	55	31.1 Å²	31.1	26%	0.257	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-68.3	-24.5	171.6	-65.1	-177.4	9.3	0	0	113.1	S7 R10 Y261 D308 R312	S7-Q310 PolarHBondContact OG-NE2 2.87Å; R10-Q310 VanDerWaalsContact CD-O 3.28Å; R10-Q310 WeakPolarHBondContact CD-O 3.41Å; R10-Q310 HydrophobicContact CG-CB 4.48Å; R10-Q310 PolarHBondContact NE-O 3.29Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.4Å; Y261-Q310 PolarHBondContact OH-NE2 3.27Å; D308-Q310 VanDerWaalsContact C-N 3.27Å; D308-Q310 PolarHBondContact O-N 3.04Å; D308-Q310 PolarHBondContact OD1-N 3.06Å; Q310-R312 VanDerWaalsContact C-N 3.31Å; Q310-R312 PolarHBondContact O-N 2.89Å
311	S	98.7	Very high	98.8	Very high	61 Å²	61	31.7 Å²	31.7	43%	0.427	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-85.2	2.3	178.4	-72.5	0	0	0	0	114.1	D308 H309	D308-S311 WeakPolarHBondContact O-CB 3.5Å; D308-S311 PolarHBondContact O-N 3Å; D308-S311 WeakPolarHBondContact OD2-CB 3.36Å; D308-S311 PolarHBondContact OD2-N 2.65Å; D308-S311 PolarHBondContact OD2-OG 2.86Å; H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact O-N 2.7Å
312	R	98.9	Very high	98.8	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.011	17%	0.165	C	C	.	.	S	Bend	trans	-84.8	151.4	173.2	-55.2	177.9	-164	147.2	9.1	110.3	R10 E201 S212 K303 L304 R306 Y307 H309 Q310	R10-R312 PolarHBondContact NH2-O 2.62Å; E201-R312 IonicContact OE1-CZ 2.99Å; E201-R312 IonicContact OE1-NH1 2.72Å; E201-R312 PolarHBondContact OE1-NH1 2.96Å; E201-R312 IonicContact OE1-NH2 3.2Å; E201-R312 IonicContact OE2-CZ 2.68Å; E201-R312 IonicContact OE2-NH1 2.75Å; E201-R312 PolarHBondContact OE2-NH1 3.3Å; E201-R312 IonicContact OE2-NH2 2.67Å; E201-R312 PolarHBondContact OE2-NH2 2.95Å; S212-R312 WeakPolarHBondContact O-CD 3.36Å; S212-R312 PolarHBondContact O-NH1 2.93Å; K303-R312 WeakPolarHBondContact O-CA 3.26Å; L304-R312 WeakPolarHBondContact O-CG 3.45Å; R306-R312 HydrophobicContact CB-CG 4.02Å; R306-R312 PolarHBondContact O-NE 3.34Å; R306-R312 PolarHBondContact O-NH2 2.7Å; Y307-R312 PolarHBondContact O-NH2 3.38Å; H309-R312 PolarHBondContact O-N 2.82Å; Q310-R312 VanDerWaalsContact C-N 3.31Å; Q310-R312 PolarHBondContact O-N 2.89Å
313	L	98.9	Very high	98.8	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.131	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-59.7	144.9	169.5	-66.1	165.5	0	0	0	111.3	M215 F300 K303 L304 E317 A318	M215-L313 WeakPolarHBondContact CG-O 3.36Å; F300-L313 HydrophobicContact CD2-CD1 3.85Å; F300-L313 HydrophobicContact CE2-CD1 3.87Å; K303-L313 HydrophobicContact CB-CD1 3.55Å; K303-L313 HydrophobicContact CB-CD2 4.43Å; K303-L313 HydrophobicContact CB-CG 3.75Å; K303-L313 HydrophobicContact CD-CD1 4.08Å; K303-L313 HydrophobicContact CD-CD2 4.17Å; K303-L313 HydrophobicContact CD-CG 4.34Å; K303-L313 PolarHBondContact O-N 2.86Å; K303-L313 VanDerWaalsContact O-N 3.15Å; L304-L313 HydrophobicContact CD2-CB 4.22Å; L304-L313 HydrophobicContact CD2-CD1 4.45Å; L313-E317 WeakPolarHBondContact CA-OE2 3.14Å; L313-E317 HydrophobicContact CB-CB 4.25Å; L313-E317 HydrophobicContact CD2-CB 3.72Å; L313-A318 HydrophobicContact CB-CB 4.22Å; L313-A318 HydrophobicContact CD1-CB 4.38Å
314	T	98.9	Very high	98.8	Very high	17 Å²	17	29.7 Å²	29.7	10%	0.104	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-73	166.9	161.8	66.8	0	0	0	0	110.6	V11 R316 E317 A318	V11-T314 HydrophobicContact CB-CG2 4.33Å; V11-T314 HydrophobicContact CG1-CG2 3.86Å; V11-T314 HydrophobicContact CG2-CG2 3.49Å; V11-T314 VanDerWaalsContact CG2-CG2 3.49Å; T314-R316 VanDerWaalsContact C-N 3.31Å; T314-R316 PolarHBondContact O-N 3.1Å; T314-E317 PolarHBondContact N-OE2 2.97Å; T314-E317 PolarHBondContact O-N 2.69Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 WeakPolarHBondContact OG1-CG 3.36Å; T314-E317 PolarHBondContact OG1-N 2.95Å; T314-E317 VanDerWaalsContact OG1-N 3.13Å; T314-E317 PolarHBondContact OG1-OE1 2.99Å; T314-E317 PolarHBondContact OG1-OE2 2.89Å; T314-A318 VanDerWaalsContact O-CB 3.23Å; T314-A318 WeakPolarHBondContact O-CB 3.46Å; T314-A318 PolarHBondContact O-N 2.98Å
315	A	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-42	175.9	0	0	0	0	0	111.9	L141 L144 D145 M215 A318 M319	L141-A315 HydrophobicContact CD2-CB 4.25Å; L144-A315 HydrophobicContact CB-CB 4.1Å; D145-A315 HydrophobicContact CB-CB 3.62Å; M215-A315 HydrophobicContact CE-CB 4.44Å; M215-A315 HydrophobicContact SD-CB 3.91Å; A315-A318 WeakPolarHBondContact O-CB 3.43Å; A315-A318 PolarHBondContact O-N 2.9Å; A315-M319 WeakPolarHBondContact O-CG 3.33Å; A315-M319 PolarHBondContact O-N 2.92Å
316	R	98.8	Very high	98.7	Very high	107 Å²	107	38.7 Å²	38.7	40%	0.404	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-54.5	171.7	-175.1	49.1	50.3	170.7	-0	113.8	D145 T314 A318 M319 E320	D145-R316 WeakPolarHBondContact OD1-CB 3.32Å; D145-R316 PolarHBondContact OD1-N 2.86Å; D145-R316 IonicContact OD2-CZ 3.5Å; D145-R316 VanDerWaalsContact OD2-CZ 3.26Å; D145-R316 IonicContact OD2-NE 3.36Å; D145-R316 PolarHBondContact OD2-NE 3.47Å; D145-R316 IonicContact OD2-NH2 2.74Å; D145-R316 PolarHBondContact OD2-NH2 2.7Å; T314-R316 VanDerWaalsContact C-N 3.31Å; T314-R316 PolarHBondContact O-N 3.1Å; R316-A318 PolarHBondContact O-N 2.79Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.35Å; R316-E320 WeakPolarHBondContact CD-OE1 3.45Å; R316-E320 WeakPolarHBondContact CG-OE1 3.27Å; R316-E320 PolarHBondContact O-N 2.85Å; R316-E320 VanDerWaalsContact O-N 3.15Å
317	E	98.9	Very high	98.7	Very high	58 Å²	58	35 Å²	35	27%	0.271	17%	0.172	S	C	.	.	H	α-helix	trans	-61.4	-31.8	179.2	-67.9	158.3	-166.8	0	0	111.9	R10 L313 T314 H321	R10-E317 IonicContact CZ-OE1 2.71Å; R10-E317 IonicContact CZ-OE2 3.5Å; R10-E317 IonicContact NH1-OE1 2.72Å; R10-E317 PolarHBondContact NH1-OE1 3.22Å; R10-E317 IonicContact NH1-OE2 3.61Å; R10-E317 IonicContact NH2-OE1 3.98Å; R10-E317 PolarHBondContact NH2-OE1 3.07Å; R10-E317 IonicContact NH2-OE2 3.28Å; R10-E317 PolarHBondContact NH2-OE2 3.36Å; L313-E317 WeakPolarHBondContact CA-OE2 3.14Å; L313-E317 HydrophobicContact CB-CB 4.25Å; L313-E317 HydrophobicContact CD2-CB 3.72Å; T314-E317 PolarHBondContact N-OE2 2.97Å; T314-E317 PolarHBondContact O-N 2.69Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 WeakPolarHBondContact OG1-CG 3.36Å; T314-E317 PolarHBondContact OG1-N 2.95Å; T314-E317 VanDerWaalsContact OG1-N 3.13Å; T314-E317 PolarHBondContact OG1-OE1 2.99Å; T314-E317 PolarHBondContact OG1-OE2 2.89Å; E317-H321 PolarHBondContact O-N 2.71Å
318	A	98.9	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-42.2	173.2	0	0	0	0	0	112.3	L141 M215 F300 L313 T314 A315 R316 E320 H321 F324	L141-A318 HydrophobicContact CD1-CB 3.91Å; L141-A318 HydrophobicContact CD2-CB 3.6Å; L141-A318 HydrophobicContact CG-CB 4.44Å; M215-A318 HydrophobicContact CE-CB 3.76Å; F300-A318 HydrophobicContact CE2-CB 3.6Å; F300-A318 HydrophobicContact CZ-CB 3.97Å; L313-A318 HydrophobicContact CB-CB 4.22Å; L313-A318 HydrophobicContact CD1-CB 4.38Å; T314-A318 VanDerWaalsContact O-CB 3.23Å; T314-A318 WeakPolarHBondContact O-CB 3.46Å; T314-A318 PolarHBondContact O-N 2.98Å; A315-A318 WeakPolarHBondContact O-CB 3.43Å; A315-A318 PolarHBondContact O-N 2.9Å; R316-A318 PolarHBondContact O-N 2.79Å; A318-E320 PolarHBondContact O-N 2.93Å; A318-H321 VanDerWaalsContact O-CB 3.25Å; A318-H321 WeakPolarHBondContact O-CB 3.33Å; A318-H321 PolarHBondContact O-N 3.39Å; A318-F324 WeakPolarHBondContact O-CD2 3.24Å; A318-F324 WeakPolarHBondContact O-CE2 3.22Å
319	M	98.7	Very high	98.5	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.064	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-29	175.1	-71.3	176.1	70.6	0	0	112.9	Y138 L141 K142 D145 A315 R316 H321	Y138-M319 HydrophobicContact CD2-CB 4.33Å; Y138-M319 HydrophobicContact CD2-CE 4.49Å; Y138-M319 HydrophobicContact CD2-CG 4.18Å; Y138-M319 HydrophobicContact CE1-CE 4.13Å; Y138-M319 HydrophobicContact CE2-CB 3.73Å; Y138-M319 HydrophobicContact CE2-CE 3.77Å; Y138-M319 HydrophobicContact CE2-CG 3.9Å; L141-M319 HydrophobicContact CB-CG 3.55Å; L141-M319 HydrophobicContact CB-SD 4.13Å; L141-M319 HydrophobicContact CD1-CG 4.01Å; L141-M319 HydrophobicContact CG-CG 4.31Å; K142-M319 HydrophobicContact CG-CE 3.66Å; K142-M319 HydrophobicContact CG-SD 4.43Å; D145-M319 HydrophobicContact CB-SD 4.31Å; A315-M319 WeakPolarHBondContact O-CG 3.33Å; A315-M319 PolarHBondContact O-N 2.92Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.35Å; M319-H321 VanDerWaalsContact C-N 3.3Å
320	E	98.6	Very high	98.3	Very high	115 Å²	115	44.4 Å²	44.4	54%	0.537	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.1	179.5	-70.1	164.2	-170.5	0	0	113.3	R316 A318	R316-E320 WeakPolarHBondContact CD-OE1 3.45Å; R316-E320 WeakPolarHBondContact CG-OE1 3.27Å; R316-E320 PolarHBondContact O-N 2.85Å; R316-E320 VanDerWaalsContact O-N 3.15Å; A318-E320 PolarHBondContact O-N 2.93Å
321	H	98.8	Very high	98	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.056	22%	0.218	C	C	.	.	S	Bend	trans	-71.4	140.7	-177.7	-166.3	-83.7	0	0	0	112.6	E296 D299 F300 K303 E317 A318 M319 Y323 F324	E296-H321 VanDerWaalsContact C-CE1 3.44Å; E296-H321 PolarHBondContact O-CE1 2.81Å; D299-H321 IonicContact OD1-NE2 3.74Å; D299-H321 IonicContact OD2-CE1 3.08Å; D299-H321 PolarHBondContact OD2-CE1 2.88Å; D299-H321 IonicContact OD2-NE2 1.89Å; D299-H321 PolarHBondContact OD2-NE2 2.95Å; F300-H321 HydrophobicContact CD2-CB 4.06Å; F300-H321 AromaticContact CD2-CG 3.84Å; F300-H321 PolarHBondContact N-CE1 2.91Å; K303-H321 PolarHBondContact NZ-NE2 3.02Å; E317-H321 PolarHBondContact O-N 2.71Å; A318-H321 VanDerWaalsContact O-CB 3.25Å; A318-H321 WeakPolarHBondContact O-CB 3.33Å; A318-H321 PolarHBondContact O-N 3.39Å; M319-H321 VanDerWaalsContact C-N 3.3Å; H321-Y323 PolarHBondContact ND1-N 2.8Å; H321-Y323 PolarHBondContact O-N 2.92Å; H321-F324 HydrophobicContact CB-CD2 4.37Å; H321-F324 PolarHBondContact O-N 2.88Å
322	P	98.7	Very high	97.7	Very high	52 Å²	52	44.3 Å²	44.3	34%	0.338	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-49.3	-26.7	179.2	-32.2	36.3	0	0	0	116.4	E296 F324 Y325	E296-P322 HydrophobicContact CG-CB 4.28Å; P322-F324 PolarHBondContact O-N 2.68Å; P322-F324 VanDerWaalsContact O-N 3.14Å; P322-Y325 HydrophobicContact CB-CD2 4.21Å; P322-Y325 HydrophobicContact CB-CE2 3.98Å; P322-Y325 HydrophobicContact CG-CE1 4.49Å; P322-Y325 HydrophobicContact CG-CE2 4.08Å; P322-Y325 PolarHBondContact O-N 3.42Å
323	Y	98.8	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.5	174.5	-172.5	-122.8	0	0	0	113	D130 R134 L222 E296 A297 F300 H321	D130-Y323 PolarHBondContact OD1-OH 3.06Å; D130-Y323 VanDerWaalsContact OD1-OH 3.07Å; R134-Y323 HydrophobicContact CB-CE1 4.38Å; R134-Y323 WeakPolarHBondContact CD-O 3.47Å; R134-Y323 HydrophobicContact CG-CD1 4.08Å; R134-Y323 HydrophobicContact CG-CD2 4.08Å; R134-Y323 HydrophobicContact CG-CE1 3.58Å; R134-Y323 HydrophobicContact CG-CE2 3.54Å; R134-Y323 HydrophobicContact CG-CG 4.3Å; R134-Y323 WeakPolarHBondContact CG-OH 3.23Å; R134-Y323 VanDerWaalsContact CZ-CD2 3.48Å; R134-Y323 VanDerWaalsContact NH1-CD2 3.26Å; R134-Y323 PolarHBondContact NH1-O 3Å; L222-Y323 HydrophobicContact CD1-CE1 4.16Å; E296-Y323 HydrophobicContact CB-CD2 4.16Å; A297-Y323 HydrophobicContact CB-CD2 3.87Å; A297-Y323 HydrophobicContact CB-CE2 3.48Å; A297-Y323 VanDerWaalsContact CB-CE2 3.48Å; F300-Y323 HydrophobicContact CB-CG 4.49Å; F300-Y323 AromaticContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CE1 4.22Å; F300-Y323 HydrophobicContact CD1-CG 4.28Å; F300-Y323 HydrophobicContact CE1-CD1 4.18Å; F300-Y323 HydrophobicContact CG-CD1 4.37Å; H321-Y323 PolarHBondContact ND1-N 2.8Å; H321-Y323 PolarHBondContact O-N 2.92Å
324	F	98.8	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-97.4	-3.1	-178.1	-59.1	-68.8	0	0	0	115.3	R134 M137 Y138 L141 F300 A318 H321 P322 P326 I327 V328	R134-F324 WeakPolarHBondContact O-CD1 3.18Å; R134-F324 VanDerWaalsContact O-CE1 3.24Å; R134-F324 WeakPolarHBondContact O-CE1 3.49Å; M137-F324 HydrophobicContact CB-CE1 3.79Å; M137-F324 HydrophobicContact CB-CZ 4Å; Y138-F324 HydrophobicContact CD2-CB 3.84Å; Y138-F324 AromaticContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD2 4.35Å; Y138-F324 HydrophobicContact CD2-CE1 4.48Å; Y138-F324 AromaticContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CE2-CB 4.21Å; Y138-F324 HydrophobicContact CE2-CG 4.49Å; Y138-F324 HydrophobicContact CG-CD1 4.23Å; L141-F324 HydrophobicContact CD1-CD2 4.43Å; L141-F324 HydrophobicContact CD1-CE1 4.39Å; L141-F324 HydrophobicContact CD1-CE2 3.58Å; L141-F324 HydrophobicContact CD1-CZ 3.54Å; F300-F324 HydrophobicContact CD1-CE2 4.12Å; F300-F324 HydrophobicContact CD1-CZ 4.14Å; F300-F324 AromaticContact CE1-CE2 3.56Å; F300-F324 HydrophobicContact CE1-CE2 3.56Å; F300-F324 AromaticContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE1-CZ 3.41Å; F300-F324 VanDerWaalsContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE2-CE2 4.02Å; F300-F324 AromaticContact CZ-CE2 3.51Å; F300-F324 HydrophobicContact CZ-CE2 3.51Å; F300-F324 AromaticContact CZ-CZ 3.71Å; F300-F324 HydrophobicContact CZ-CZ 3.71Å; A318-F324 WeakPolarHBondContact O-CD2 3.24Å; A318-F324 WeakPolarHBondContact O-CE2 3.22Å; H321-F324 HydrophobicContact CB-CD2 4.37Å; H321-F324 PolarHBondContact O-N 2.88Å; P322-F324 PolarHBondContact O-N 2.68Å; P322-F324 VanDerWaalsContact O-N 3.14Å; F324-P326 VanDerWaalsContact C-N 3.29Å; F324-P326 VanDerWaalsContact O-N 3.15Å; F324-I327 WeakPolarHBondContact O-CA 3.38Å; F324-I327 WeakPolarHBondContact O-CB 3.32Å; F324-I327 PolarHBondContact O-N 3.24Å; F324-V328 PolarHBondContact O-N 2.88Å
325	Y	98.3	Very high	95.2	Very high	141 Å²	141	57.4 Å²	57.4	55%	0.553	29%	0.29	S	S	*	.	H	α-helix	trans	-52.5	-36.3	-179.3	-71.7	-0.7	0	0	0	114.6	P322 K329	P322-Y325 HydrophobicContact CB-CD2 4.21Å; P322-Y325 HydrophobicContact CB-CE2 3.98Å; P322-Y325 HydrophobicContact CG-CE1 4.49Å; P322-Y325 HydrophobicContact CG-CE2 4.08Å; P322-Y325 PolarHBondContact O-N 3.42Å; Y325-K329 VanDerWaalsContact O-CB 3.24Å; Y325-K329 WeakPolarHBondContact O-CB 3.41Å; Y325-K329 PolarHBondContact O-N 3.12Å; Y325-K329 VanDerWaalsContact O-N 3.1Å
326	P	97.8	Very high	93.6	Very high	48 Å²	48	61.5 Å²	61.5	31%	0.312	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-45.2	171.4	-23.8	35.1	0	0	0	112.9	Y131 F324 K329 D330	Y131-P326 HydrophobicContact CE2-CB 4.4Å; F324-P326 VanDerWaalsContact C-N 3.29Å; F324-P326 VanDerWaalsContact O-N 3.15Å; P326-K329 PolarHBondContact O-N 2.93Å; P326-D330 PolarHBondContact O-N 3.3Å
327	I	97.7	Very high	91.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-45.9	-178	-51.3	-54.4	0	0	0	110.9	Y131 R134 F135 Y138 F324 K329 D330 Q331	Y131-I327 HydrophobicContact CD1-CD1 4.39Å; Y131-I327 HydrophobicContact CD2-CD1 3.96Å; Y131-I327 HydrophobicContact CE1-CD1 4.04Å; Y131-I327 HydrophobicContact CE2-CD1 3.58Å; Y131-I327 HydrophobicContact CG-CD1 4.34Å; R134-I327 HydrophobicContact CB-CD1 3.85Å; R134-I327 HydrophobicContact CB-CG1 3.73Å; F135-I327 HydrophobicContact CB-CD1 3.96Å; F135-I327 HydrophobicContact CD2-CG2 4.28Å; Y138-I327 HydrophobicContact CD1-CG2 3.78Å; Y138-I327 HydrophobicContact CE1-CG2 4.42Å; Y138-I327 HydrophobicContact CG-CG2 4.05Å; F324-I327 WeakPolarHBondContact O-CA 3.38Å; F324-I327 WeakPolarHBondContact O-CB 3.32Å; F324-I327 PolarHBondContact O-N 3.24Å; I327-K329 VanDerWaalsContact C-N 3.33Å; I327-K329 PolarHBondContact O-N 2.81Å; I327-D330 PolarHBondContact O-N 3.4Å; I327-Q331 HydrophobicContact CG2-CG 4.38Å; I327-Q331 WeakPolarHBondContact O-CB 3.16Å; I327-Q331 WeakPolarHBondContact O-CG 3.14Å; I327-Q331 PolarHBondContact O-N 3.08Å
328	V	97.1	Very high	89.6	Confident	60 Å²	60	64.5 Å²	64.5	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-44.3	177.6	177.9	0	0	0	0	110.8	Y138 F324 D330 A332	Y138-V328 HydrophobicContact CE2-CG2 3.94Å; F324-V328 PolarHBondContact O-N 2.88Å; V328-D330 PolarHBondContact O-N 2.93Å; V328-A332 WeakPolarHBondContact O-CB 3.26Å; V328-A332 PolarHBondContact O-N 2.88Å
329	K	96.4	Very high	86.8	Confident	126 Å²	126	71.6 Å²	71.6	55%	0.548	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-42.4	179	-176.9	176.6	-176.7	175.3	0	112.5	Y325 P326 I327 R333	Y325-K329 VanDerWaalsContact O-CB 3.24Å; Y325-K329 WeakPolarHBondContact O-CB 3.41Å; Y325-K329 PolarHBondContact O-N 3.12Å; Y325-K329 VanDerWaalsContact O-N 3.1Å; P326-K329 PolarHBondContact O-N 2.93Å; I327-K329 VanDerWaalsContact C-N 3.33Å; I327-K329 PolarHBondContact O-N 2.81Å; K329-R333 WeakPolarHBondContact O-CD 3.4Å; K329-R333 WeakPolarHBondContact O-CG 3.38Å; K329-R333 PolarHBondContact O-N 3.35Å
330	D	95.2	Very high	84.1	Confident	40 Å²	40	76.9 Å²	76.9	21%	0.214	42%	0.422	C	S	.	.	H	α-helix	trans	-80.1	-32.2	-178.2	-69.8	-27.9	0	0	0	112.9	P326 I327 V328 R333 M334	P326-D330 PolarHBondContact O-N 3.3Å; I327-D330 PolarHBondContact O-N 3.4Å; V328-D330 PolarHBondContact O-N 2.93Å; D330-R333 WeakPolarHBondContact O-CB 3.39Å; D330-R333 PolarHBondContact O-N 2.78Å; D330-R333 WeakPolarHBondContact OD1-CD 3.48Å; D330-R333 IonicContact OD1-CZ 3.63Å; D330-R333 IonicContact OD1-NE 3.81Å; D330-R333 IonicContact OD1-NH1 2.68Å; D330-R333 PolarHBondContact OD1-NH1 3.47Å; D330-M334 WeakPolarHBondContact O-CG 3.41Å; D330-M334 PolarHBondContact O-N 3.15Å
331	Q	92.4	Very high	81.3	Confident	54 Å²	54	75 Å²	75	25%	0.252	43%	0.434	S	S	.	.	H	α-helix	trans	-63.7	-39.7	168.9	-70.2	-171.6	13.4	0	0	111.7	E139 I327 R333 M334 G335	E139-Q331 PolarHBondContact OE1-NE2 3.05Å; I327-Q331 HydrophobicContact CG2-CG 4.38Å; I327-Q331 WeakPolarHBondContact O-CB 3.16Å; I327-Q331 WeakPolarHBondContact O-CG 3.14Å; I327-Q331 PolarHBondContact O-N 3.08Å; Q331-R333 PolarHBondContact O-N 3.03Å; Q331-M334 PolarHBondContact O-N 3.03Å; Q331-G335 PolarHBondContact O-N 3.04Å
332	A	91.4	Very high	78.5	Confident	59 Å²	59	78 Å²	78	49%	0.488	47%	0.467	S	S	.	.	H	α-helix	trans	-64.4	-36.3	174.9	0	0	0	0	0	113.2	V328 S336	V328-A332 WeakPolarHBondContact O-CB 3.26Å; V328-A332 PolarHBondContact O-N 2.88Å; A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.16Å; A332-S336 PolarHBondContact O-OG 3.39Å
333	R	90.2	Very high	75.6	Confident	145 Å²	145	81.3 Å²	81.3	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-49.9	173.5	-75.5	159.5	154.3	-175.4	-13	111.7	K329 D330 Q331 G335 S336 S337	K329-R333 WeakPolarHBondContact O-CD 3.4Å; K329-R333 WeakPolarHBondContact O-CG 3.38Å; K329-R333 PolarHBondContact O-N 3.35Å; D330-R333 WeakPolarHBondContact O-CB 3.39Å; D330-R333 PolarHBondContact O-N 2.78Å; D330-R333 WeakPolarHBondContact OD1-CD 3.48Å; D330-R333 IonicContact OD1-CZ 3.63Å; D330-R333 IonicContact OD1-NE 3.81Å; D330-R333 IonicContact OD1-NH1 2.68Å; D330-R333 PolarHBondContact OD1-NH1 3.47Å; Q331-R333 PolarHBondContact O-N 3.03Å; R333-G335 VanDerWaalsContact C-N 3.33Å; R333-G335 PolarHBondContact O-N 3.48Å; R333-S336 WeakPolarHBondContact O-CB 3.49Å; R333-S336 PolarHBondContact O-N 2.66Å; R333-S336 VanDerWaalsContact O-N 3.1Å; R333-S337 PolarHBondContact O-N 3.37Å; R333-S337 VanDerWaalsContact O-N 3.09Å; R333-S337 PolarHBondContact O-OG 3.17Å
334	M	84.1	Confident	73	Confident	123 Å²	123	87.3 Å²	87.3	61%	0.606	53%	0.529	S	S	*	.	H	α-helix	trans	-62.4	-37.6	179.3	-67.4	175.7	-170.9	0	0	112.7	D330 Q331 S336 S337	D330-M334 WeakPolarHBondContact O-CG 3.41Å; D330-M334 PolarHBondContact O-N 3.15Å; Q331-M334 PolarHBondContact O-N 3.03Å; M334-S336 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.85Å; M334-S337 WeakPolarHBondContact CA-OG 3.34Å; M334-S337 PolarHBondContact O-OG 2.99Å
335	G	71.8	Confident	70.3	Confident	52 Å²	52	93.1 Å²	93.1	54%	0.536	57%	0.566	S	S	.	*	H	α-helix	trans	-63.3	-36.6	173.3	0	0	0	0	0	113	Q331 R333	Q331-G335 PolarHBondContact O-N 3.04Å; R333-G335 VanDerWaalsContact C-N 3.33Å; R333-G335 PolarHBondContact O-N 3.48Å
336	S	65.3	Low	67.8	Low	86 Å²	86	92.8 Å²	92.8	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-74.5	-33.7	-178.7	-57.6	0	0	0	0	112.9	A332 R333 M334 N338 M339	A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.16Å; A332-S336 PolarHBondContact O-OG 3.39Å; R333-S336 WeakPolarHBondContact O-CB 3.49Å; R333-S336 PolarHBondContact O-N 2.66Å; R333-S336 VanDerWaalsContact O-N 3.1Å; M334-S336 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.85Å; S336-N338 PolarHBondContact O-N 3.32Å; S336-M339 PolarHBondContact O-N 3.15Å
337	S	59.9	Low	65	Low	87 Å²	87	96.1 Å²	96.1	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-70.7	-13.7	179.6	46.8	0	0	0	0	115	R333 M334 M339	R333-S337 PolarHBondContact O-N 3.37Å; R333-S337 VanDerWaalsContact O-N 3.09Å; R333-S337 PolarHBondContact O-OG 3.17Å; M334-S337 WeakPolarHBondContact CA-OG 3.34Å; M334-S337 PolarHBondContact O-OG 2.99Å; S337-M339 VanDerWaalsContact C-N 3.35Å
338	N	51.9	Low	62.3	Low	142 Å²	142	101.2 Å²	101.2	76%	0.759	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	3.8	177.5	-76.8	0.9	0	0	0	113.8	S336	S336-N338 PolarHBondContact O-N 3.32Å
339	M	41.4	Very low	59.5	Low	148 Å²	148	103.1 Å²	103.1	73%	0.729	66%	0.661	S	S	*	*	S	Bend	trans	-89.7	124.5	167.3	-73.3	-70.3	-73.6	0	0	109.7	S336 S337 G341	S336-M339 PolarHBondContact O-N 3.15Å; S337-M339 VanDerWaalsContact C-N 3.35Å; M339-G341 PolarHBondContact O-N 2.6Å; M339-G341 VanDerWaalsContact O-N 3.12Å
340	P	41.7	Very low	56.9	Low	124 Å²	124	102.9 Å²	102.9	81%	0.805	68%	0.675	S	S	*	*			trans	-67.5	112.9	178.3	26.9	-33.1	0	0	0	110.4	G342	P340-G342 PolarHBondContact O-N 2.73Å
341	G	40.4	Very low	54.3	Low	77 Å²	77	109.2 Å²	109.2	79%	0.794	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.7	-179.7	0	0	0	0	0	112.4	M339	M339-G341 PolarHBondContact O-N 2.6Å; M339-G341 VanDerWaalsContact O-N 3.12Å
342	G	38.7	Very low	51.9	Low	73 Å²	73	114.5 Å²	114.5	75%	0.753	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-64	155.2	177	0	0	0	0	0	113.3	P340	P340-G342 PolarHBondContact O-N 2.73Å
343	S	39.3	Very low	49.4	Very low	123 Å²	123	117.9 Å²	117.9	86%	0.86	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.1	132.4	-173.3	39.1	0	0	0	0	114.1
344	T	43.2	Very low	46.8	Very low	126 Å²	126	114.5 Å²	114.5	77%	0.773	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-101.5	126.7	162.3	45.3	0	0	0	0	109.9
345	P	42.3	Very low	44.9	Very low	121 Å²	121	116.3 Å²	116.3	79%	0.786	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-82.2	128.2	176.2	31.3	-32.2	0	0	0	111
346	V	46.5	Very low	43.5	Very low	135 Å²	135	118.9 Å²	118.9	82%	0.818	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.4	128.5	170.4	-179.7	0	0	0	0	109.2
347	S	38.3	Very low	42.4	Very low	117 Å²	117	120 Å²	120	82%	0.818	79%	0.79	S	S	*	*			trans	-127.3	120.3	176	-73.6	0	0	0	0	110.8
348	S	41.1	Very low	41.8	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	80%	0.803	S	S	*	*			trans	-151	85.5	173.1	59.9	0	0	0	0	112.4
349	A	37.8	Very low	41.4	Very low	101 Å²	101	121.3 Å²	121.3	84%	0.835	80%	0.801	S	S	*	*			trans	35.7	124.3	152.2	0	0	0	0	0	121.7
350	S	41.6	Very low	41.7	Very low	120 Å²	120	121.1 Å²	121.1	84%	0.839	81%	0.809	S	S	*	*			trans	-154.2	113.4	147.9	-79.8	0	0	0	0	112.8
351	M	41.1	Very low	41.7	Very low	173 Å²	173	120.8 Å²	120.8	85%	0.852	81%	0.807	S	S	*	*			trans	56.8	107.1	149.6	-58.3	-170.7	-178	0	0	123.2
352	M	41.3	Very low	42	Very low	166 Å²	166	123 Å²	123	82%	0.818	81%	0.81	S	S	*	*				84.1	139	124.8	-63.9	-178.3	71.3	0	0	123.6
353	S	39.6	Very low	42.2	Very low	130 Å²	130	125.5 Å²	125.5	91%	0.909	81%	0.813	S	S	*	*			trans	70	135.4	171.6	72.9	0	0	0	0	117.2
354	G	36.7	Very low	42.6	Very low	73 Å²	73	128.4 Å²	128.4	75%	0.753	82%	0.818	S	S	*	*			trans	168.9	-22	179.1	0	0	0	0	0	121.6
355	I	43.8	Very low	42.3	Very low	162 Å²	162	125.4 Å²	125.4	83%	0.831	81%	0.811	S	S	*	*			trans	60.4	123.2	163.9	-58.9	174.5	0	0	0	119.4
356	S	41.4	Very low	42.4	Very low	106 Å²	106	126 Å²	126	74%	0.741	82%	0.816	S	S	*	*			trans	86.2	137.2	152.7	-71.3	0	0	0	0	124.2
357	S	42.1	Very low	42.4	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	82%	0.822	S	S	*	*			trans	47.9	106.6	156.3	51.3	0	0	0	0	119.3
358	V	48.1	Very low	42.5	Very low	146 Å²	146	127.6 Å²	127.6	89%	0.885	82%	0.824	S	S	*	*			cis	87.3	132.7	49.1	178.8	0	0	0	0	113.4
359	P	42.8	Very low	42.6	Very low	112 Å²	112	126.2 Å²	126.2	73%	0.727	83%	0.826	S	S	*	*			trans	-129.7	177	-151	44	-28.4	0	0	0	116.8
360	T	48.1	Very low	42.7	Very low	144 Å²	144	127.2 Å²	127.2	88%	0.883	83%	0.827	S	S	*	*			trans	-160.1	133.3	156.5	26.4	0	0	0	0	113.1
361	P	41.9	Very low	43	Very low	117 Å²	117	127.6 Å²	127.6	76%	0.76	83%	0.827	S	S	*	*			trans	-115.7	158.1	165.2	38.8	-29.8	0	0	0	113.6
362	S	47	Very low	42.9	Very low	124 Å²	124	125.8 Å²	125.8	87%	0.867	83%	0.825	S	S	*	*			trans	-162.4	133.6	168	-76.9	0	0	0	0	111.8
363	P	43.3	Very low	42.6	Very low	124 Å²	124	124.9 Å²	124.9	81%	0.805	82%	0.822	S	S	*	*			trans	-112.1	143	-175.2	38.3	-31.1	0	0	0	116
364	L	45.8	Very low	42.8	Very low	185 Å²	185	124.7 Å²	124.7	97%	0.969	82%	0.821	S	S	*	*			trans	-151.2	156.5	161.3	-69.7	177.1	0	0	0	107.4
365	G	37.8	Very low	42.8	Very low	62 Å²	62	125 Å²	125	64%	0.639	82%	0.816	S	S	*	*			cis	-178.6	148.5	-6.9	0	0	0	0	0	109.2
366	P	43.8	Very low	42.6	Very low	135 Å²	135	123.6 Å²	123.6	88%	0.877	82%	0.815	S	S	*	*			trans	-84.8	149.8	-168.5	33.1	-35.5	0	0	0	114.4
367	L	46.2	Very low	42.4	Very low	180 Å²	180	124.4 Å²	124.4	94%	0.942	82%	0.816	S	S	*	*			trans	-125.5	154.5	172.7	-84.7	166.9	0	0	0	110.7
368	A	40.5	Very low	42.4	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	82%	0.818	S	S	*	*			trans	-120.3	156.2	-177.7	0	0	0	0	0	112.2
369	G	43.2	Very low	41.9	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	82%	0.819	S	S	*	*			trans	-166.5	144.8	175.1	0	0	0	0	0	111.8
370	S	40.4	Very low	41.8	Very low	123 Å²	123	125 Å²	125	86%	0.86	82%	0.821	S	S	*	*			trans	-115.3	161.7	-169.7	-63.5	0	0	0	0	112.8
371	P	47.6	Very low	41.5	Very low	127 Å²	127	126.8 Å²	126.8	83%	0.825	82%	0.822	S	S	*	*			trans	-100.6	163	-163.7	38.7	-36.4	0	0	0	115.5
372	V	40.1	Very low	41.7	Very low	136 Å²	136	126.8 Å²	126.8	82%	0.824	82%	0.822	S	S	*	*			trans	-140.9	125.8	169.1	-178.3	0	0	0	0	113.4
373	I	35.4	Very low	41.9	Very low	146 Å²	146	127.6 Å²	127.6	75%	0.749	82%	0.821	S	S	*	*			trans	0.3	144	150.2	-53.6	170.5	0	0	0	120
374	S	42.8	Very low	42	Very low	126 Å²	126	127.2 Å²	127.2	88%	0.881	82%	0.819	S	S	*	*			trans	-145.9	155.3	146.2	-76.2	0	0	0	0	110.8
375	A	36.4	Very low	41.7	Very low	79 Å²	79	123.4 Å²	123.4	65%	0.653	81%	0.814	S	S	*	*			trans	-154.4	-169.5	-167	0	0	0	0	0	113.4
376	T	39	Very low	42.1	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	83%	0.827	S	S	*	*			trans	77	146.2	178.4	76.9	0	0	0	0	115.2
377	T	38.3	Very low	41.9	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	83%	0.829	S	S	*	*			cis	-137.8	-157.8	-7.1	-11.5	0	0	0	0	108.5
378	T	41.8	Very low	41.8	Very low	130 Å²	130	119.9 Å²	119.9	80%	0.798	82%	0.824	S	S	*	*			cis	-147.6	-151.1	15.9	-32.2	0	0	0	0	110.1
379	L	38.8	Very low	41.9	Very low	173 Å²	173	119.4 Å²	119.4	91%	0.906	82%	0.82	S	S	*	*			trans	-142	157.7	-172.1	-80.7	153	0	0	0	112.9
380	G	40.3	Very low	42.1	Very low	75 Å²	75	125 Å²	125	77%	0.773	83%	0.826	S	S	*	*			trans	-165.9	139.7	167.6	0	0	0	0	0	110.8
381	M	42.2	Very low	42.7	Very low	182 Å²	182	132 Å²	132	90%	0.897	85%	0.845	S	S	*	*			trans	-109.9	157	-166.7	-71.9	-174.6	71.2	0	0	114.6
382	P	46.1	Very low	42.5	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	85%	0.846	S	S	*	*			trans	-92.4	165.6	-178.1	37.6	-36.9	0	0	0	114.4
383	V	50.6	Low	42.6	Very low	141 Å²	141	132.1 Å²	132.1	86%	0.855	85%	0.847	S	S	*	*			trans	-140.4	132.4	172.3	-178.6	0	0	0	0	110.3
384	P	44.6	Very low	43	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	85%	0.853	S	S	*	*			trans	-114.1	158.8	175.7	39.2	-31	0	0	0	115.1
385	A	39	Very low	43	Very low	105 Å²	105	131.6 Å²	131.6	87%	0.868	85%	0.851	S	S	*	*			trans	58.2	114.6	151.9	0	0	0	0	0	121
386	A	46.5	Very low	43.5	Very low	109 Å²	109	134.9 Å²	134.9	90%	0.901	86%	0.863	S	S	*	*			trans	-146.4	148.5	145.1	0	0	0	0	0	109.1
387	A	40.2	Very low	43.8	Very low	111 Å²	111	135 Å²	135	92%	0.917	87%	0.866	S	S	*	*			trans	-112	151.4	179.2	0	0	0	0	0	111.3
388	G	43.5	Very low	44.2	Very low	83 Å²	83	135.8 Å²	135.8	86%	0.856	87%	0.874	S	S	*	*			trans	-161.3	136	174.8	0	0	0	0	0	110.7
389	A	44	Very low	44.3	Very low	95 Å²	95	136.2 Å²	136.2	79%	0.785	88%	0.88	S	S	*	*			trans	-132.5	178.2	180	0	0	0	0	0	110
390	Q	45.9	Very low	44.8	Very low	194 Å²	194	133.2 Å²	133.2	91%	0.907	88%	0.878	S	S	*	*			trans	76.5	118.3	-170.3	-48.7	174.3	-1.6	0	0	111.6
391	Q	54.7	Low	45.2	Very low	270 Å²	270	138.5 Å²	138.5	100%	1.262	89%	0.887	S	S	*	*			cis	-125.3	0	35	-69.2	176	-11.1	0	0	114.4

Retrieved 391 of 391 residues in 76 ms (Link to these results)

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