A0A077ZF42_TRITR Loading...

Lipoyl synthase, mitochondrial

Catalyzes the radical-mediated insertion of two sulfur atoms into the C-6 and C-8 positions of the octanoyl moiety bound to the lipoyl domains of lipoate-dependent enzymes, thereby converting the octanoylated domains into lipoylated derivatives.

AlphaFold DB , UniProt , Accession A0A077ZF42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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	39.3	Very low	73.6	Confident	245 Å²	245	117 Å²	117	100%	1.207	62%	0.622	S	S	*	*				0	114.3	0	-67.5	176.7	-171.6	0	0	107.4	K3	M1-K3 PolarHBondContact O-N 2.88Å
2	S	48.9	Very low	75.3	Confident	117 Å²	117	114.1 Å²	114.1	82%	0.818	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-61.9	132.1	173	51	0	0	0	0	108.5
3	K	52.5	Low	76.5	Confident	193 Å²	193	107.8 Å²	107.8	84%	0.839	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-49.7	133.8	174	-92.5	-179.9	174	177.6	0	108.9	M1 I5	M1-K3 PolarHBondContact O-N 2.88Å; K3-I5 PolarHBondContact O-N 3.45Å
4	P	62.6	Low	77.5	Confident	110 Å²	110	105.2 Å²	105.2	71%	0.714	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-57.2	126.7	171.4	22.7	-30	0	0	0	108	V6	P4-V6 PolarHBondContact O-N 3.19Å
5	I	70.1	Confident	78.1	Confident	87 Å²	87	102 Å²	102	45%	0.446	53%	0.527	S	S	.	.			trans	-61.2	110	176.5	-63.4	173.4	0	0	0	106.7	K3 M7 Y13 L21	K3-I5 PolarHBondContact O-N 3.45Å; I5-M7 PolarHBondContact O-N 3.48Å; I5-Y13 HydrophobicContact CG2-CE1 4.45Å; I5-L21 HydrophobicContact CB-CD2 3.94Å; I5-L21 HydrophobicContact CD1-CD2 3.85Å; I5-L21 HydrophobicContact CD1-CG 4.44Å; I5-L21 HydrophobicContact CG1-CD2 4.33Å; I5-L21 HydrophobicContact CG2-CD2 4.41Å
6	V	78.7	Confident	78.6	Confident	121 Å²	121	98.4 Å²	98.4	73%	0.733	52%	0.517	S	S	*	.			trans	-78.3	103.6	174.3	-179.3	0	0	0	0	106.8	P4 E8	P4-V6 PolarHBondContact O-N 3.19Å; V6-E8 PolarHBondContact O-N 2.88Å
7	M	86.4	Confident	79	Confident	48 Å²	48	98.4 Å²	98.4	24%	0.236	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-68.6	125.3	178.4	-70.6	-178.6	-76.6	0	0	110.8	I5 Y13 L21 H105 R107	I5-M7 PolarHBondContact O-N 3.48Å; M7-Y13 WeakPolarHBondContact CA-OH 3.34Å; M7-Y13 HydrophobicContact CB-CE2 3.93Å; M7-Y13 HydrophobicContact CG-CD2 4.26Å; M7-Y13 HydrophobicContact CG-CE2 3.81Å; M7-L21 HydrophobicContact CG-CD1 4.28Å; M7-L21 HydrophobicContact SD-CD1 3.92Å; M7-H105 PolarHBondContact SD-NE2 3.5Å; M7-H105 VanDerWaalsContact SD-NE2 3.41Å; M7-R107 HydrophobicContact CB-CG 4Å; M7-R107 WeakPolarHBondContact O-CD 3.34Å
8	E	90.8	Very high	79.6	Confident	129 Å²	129	93 Å²	93	60%	0.603	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-78.7	147.7	173.7	-70	178.9	-156.7	0	0	111.1	V6 V11 Y13	V6-E8 PolarHBondContact O-N 2.88Å; E8-V11 HydrophobicContact CB-CB 4.17Å; E8-V11 HydrophobicContact CB-CG2 3.58Å; E8-Y13 PolarHBondContact N-OH 2.94Å
9	R	93.2	Very high	79.9	Confident	150 Å²	150	89.1 Å²	89.1	57%	0.566	47%	0.468	S	S	*	.	B	Isolated β-bridge	trans	-73.4	131	179.3	-171.2	-179.3	-69.8	-91.9	10.8	109.8	V11 R107 P108 V109	R9-V11 VanDerWaalsContact C-N 3.28Å; R9-R107 CarbonylContact C-O 3.51Å; R9-R107 WeakPolarHBondContact CA-O 3.46Å; R9-R107 HydrophobicContact CB-CB 4.45Å; R9-P108 WeakPolarHBondContact CG-O 3.49Å; R9-P108 PolarHBondContact NH1-O 3.24Å; R9-V109 HydrophobicContact CG-CG1 4.26Å
10	G	93.7	Very high	80.1	Confident	36 Å²	36	88.2 Å²	88.2	37%	0.371	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-1.7	-179.7	0	0	0	0	0	114.6	I93 R107	G10-I93 VanDerWaalsContact O-CD1 3.31Å; G10-I93 WeakPolarHBondContact O-CD1 3.49Å; G10-R107 PolarHBondContact N-O 3.21Å
11	V	93.6	Very high	80.2	Confident	51 Å²	51	85.7 Å²	85.7	31%	0.309	46%	0.461	S	S	.	.			trans	-86.8	129.7	176.6	177.9	0	0	0	0	110.4	E8 R9 Y13	E8-V11 HydrophobicContact CB-CB 4.17Å; E8-V11 HydrophobicContact CB-CG2 3.58Å; R9-V11 VanDerWaalsContact C-N 3.28Å; V11-Y13 HydrophobicContact CB-CE2 3.96Å; V11-Y13 HydrophobicContact CG1-CD2 4.27Å; V11-Y13 HydrophobicContact CG1-CE1 4.29Å; V11-Y13 HydrophobicContact CG1-CE2 3.79Å
12	K	93.3	Very high	82.2	Confident	82 Å²	82	74.8 Å²	74.8	36%	0.357	41%	0.407	S	S	.	.			trans	-87.6	108.1	176.3	-72.5	-173.6	176.9	-167.7	0	109.9	E70 A92 I93 A104	K12-E70 IonicContact NZ-OE1 3.35Å; K12-E70 PolarHBondContact NZ-OE1 2.89Å; K12-E70 IonicContact NZ-OE2 3.26Å; K12-E70 PolarHBondContact NZ-OE2 3.35Å; K12-A92 VanDerWaalsContact NZ-CB 3.32Å; K12-I93 HydrophobicContact CG-CD1 4.1Å; K12-I93 HydrophobicContact CG-CG1 3.67Å; K12-A104 HydrophobicContact CB-CB 3.61Å; K12-A104 HydrophobicContact CD-CB 4.28Å; K12-A104 HydrophobicContact CG-CB 3.86Å
13	Y	91.8	Very high	83.3	Confident	32 Å²	32	73.5 Å²	73.5	13%	0.125	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-91.8	122.9	169.9	-60.1	-90.1	0	0	0	109.7	I5 M7 E8 V11 D17 A104 H105	I5-Y13 HydrophobicContact CG2-CE1 4.45Å; M7-Y13 WeakPolarHBondContact CA-OH 3.34Å; M7-Y13 HydrophobicContact CB-CE2 3.93Å; M7-Y13 HydrophobicContact CG-CD2 4.26Å; M7-Y13 HydrophobicContact CG-CE2 3.81Å; E8-Y13 PolarHBondContact N-OH 2.94Å; V11-Y13 HydrophobicContact CB-CE2 3.96Å; V11-Y13 HydrophobicContact CG1-CD2 4.27Å; V11-Y13 HydrophobicContact CG1-CE1 4.29Å; V11-Y13 HydrophobicContact CG1-CE2 3.79Å; Y13-D17 HydrophobicContact CD1-CB 4Å; Y13-A104 CarbonylContact O-C 3.6Å; Y13-A104 VanDerWaalsContact O-CA 3.31Å; Y13-A104 WeakPolarHBondContact O-CA 3.29Å; Y13-H105 WeakPolarHBondContact CB-O 3.44Å; Y13-H105 WeakPolarHBondContact CD2-O 3.4Å; Y13-H105 PolarHBondContact N-O 3.31Å; Y13-H105 PolarHBondContact O-N 3.36Å
14	R	90.3	Very high	84.3	Confident	72 Å²	72	66 Å²	66	27%	0.272	37%	0.366	S	S	.	.			trans	-122.3	167	-177.9	-69.7	-167.8	-176.3	-98.9	4.6	111.7	A16 D17 K18 E70 D102 A104	R14-A16 PolarHBondContact O-N 3.09Å; R14-D17 WeakPolarHBondContact O-CB 3.43Å; R14-D17 PolarHBondContact O-N 2.89Å; R14-K18 PolarHBondContact O-N 2.63Å; R14-E70 IonicContact CZ-OE2 3.22Å; R14-E70 PolarHBondContact NH1-O 2.91Å; R14-E70 IonicContact NH2-OE2 3.48Å; R14-E70 PolarHBondContact NH2-OE2 2.95Å; R14-D102 PolarHBondContact NH1-O 3.01Å; R14-A104 HydrophobicContact CG-CB 3.87Å
15	D	87	Confident	84.6	Confident	57 Å²	57	70.4 Å²	70.4	31%	0.305	37%	0.374	S	S	.	.	H	α-helix	trans	45.7	-120.4	170.5	-64.6	-49	0	0	0	113.4	D17 K18 M19 S269 H272	D15-D17 VanDerWaalsContact C-N 3.29Å; D15-D17 PolarHBondContact O-N 2.73Å; D15-K18 PolarHBondContact O-N 3.31Å; D15-M19 WeakPolarHBondContact O-CB 3.27Å; D15-M19 WeakPolarHBondContact O-CG 3.49Å; D15-M19 PolarHBondContact O-N 3.3Å; D15-S269 WeakPolarHBondContact OD1-CB 3.31Å; D15-S269 PolarHBondContact OD1-OG 3.17Å; D15-H272 IonicContact OD1-CE1 3.62Å; D15-H272 PolarHBondContact OD1-CE1 2.62Å; D15-H272 IonicContact OD1-ND1 2.78Å
16	A	85.4	Confident	84.5	Confident	45 Å²	45	68.1 Å²	68.1	37%	0.372	36%	0.362	S	S	.	.	H	α-helix	trans	-56.5	-40.9	-178.5	0	0	0	0	0	112.5	R14 M19 A20	R14-A16 PolarHBondContact O-N 3.09Å; A16-M19 PolarHBondContact O-N 3.15Å; A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.36Å; A16-A20 PolarHBondContact O-N 2.88Å
17	D	86	Confident	83.8	Confident	97 Å²	97	68.3 Å²	68.3	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-67.6	-40.2	-179.1	-62.5	-26.6	0	0	0	111.4	Y13 R14 D15 L21	Y13-D17 HydrophobicContact CD1-CB 4Å; R14-D17 WeakPolarHBondContact O-CB 3.43Å; R14-D17 PolarHBondContact O-N 2.89Å; D15-D17 VanDerWaalsContact C-N 3.29Å; D15-D17 PolarHBondContact O-N 2.73Å; D17-L21 WeakPolarHBondContact O-CG 3.32Å
18	K	88.4	Confident	83.2	Confident	2 Å²	2	68 Å²	68	1%	0.009	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-47.6	174.6	-176.7	-177	172.5	179.7	0	111.1	R14 D15 A20 L21 R97 C101 V103 H105	R14-K18 PolarHBondContact O-N 2.63Å; D15-K18 PolarHBondContact O-N 3.31Å; K18-A20 VanDerWaalsContact C-N 3.28Å; K18-A20 PolarHBondContact O-N 3.48Å; K18-L21 WeakPolarHBondContact O-CB 3.33Å; K18-L21 PolarHBondContact O-N 3.2Å; K18-L21 VanDerWaalsContact O-N 3.14Å; K18-R97 HydrophobicContact CG-CB 4.31Å; K18-C101 PolarHBondContact NZ-O 3.27Å; K18-V103 WeakPolarHBondContact CE-O 3.41Å; K18-V103 PolarHBondContact NZ-O 3.24Å; K18-H105 HydrophobicContact CB-CB 4.46Å; K18-H105 HydrophobicContact CD-CB 4.17Å; K18-H105 HydrophobicContact CG-CB 3.68Å
19	M	86.2	Confident	82.4	Confident	18 Å²	18	62.7 Å²	62.7	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-20	-176.7	-62.3	-65	113.8	0	0	112.4	D15 A16 L21 I22 P99 H271	D15-M19 WeakPolarHBondContact O-CB 3.27Å; D15-M19 WeakPolarHBondContact O-CG 3.49Å; D15-M19 PolarHBondContact O-N 3.3Å; A16-M19 PolarHBondContact O-N 3.15Å; M19-L21 PolarHBondContact O-N 3.44Å; M19-I22 HydrophobicContact CE-CG2 4.22Å; M19-I22 VanDerWaalsContact O-CG1 3.31Å; M19-I22 WeakPolarHBondContact O-CG1 3.4Å; M19-I22 HydrophobicContact SD-CD1 3.85Å; M19-I22 HydrophobicContact SD-CG2 4.35Å; M19-P99 HydrophobicContact SD-CB 4.09Å; M19-H271 HydrophobicContact CB-CB 4.31Å; M19-H271 HydrophobicContact CG-CB 3.91Å; M19-H271 VanDerWaalsContact CG-O 3.24Å; M19-H271 WeakPolarHBondContact CG-O 3.33Å
20	A	84.4	Confident	81.6	Confident	71 Å²	71	62 Å²	62	59%	0.587	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.5	170.6	0	0	0	0	0	112.8	A16 K18	A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.36Å; A16-A20 PolarHBondContact O-N 2.88Å; K18-A20 VanDerWaalsContact C-N 3.28Å; K18-A20 PolarHBondContact O-N 3.48Å
21	L	82	Confident	80.6	Confident	37 Å²	37	71.2 Å²	71.2	19%	0.194	37%	0.372	C	S	.	.	S	Bend	trans	-98.8	-12.4	-175	-62.7	171	0	0	0	113.6	I5 M7 D17 K18 M19 R97	I5-L21 HydrophobicContact CB-CD2 3.94Å; I5-L21 HydrophobicContact CD1-CD2 3.85Å; I5-L21 HydrophobicContact CD1-CG 4.44Å; I5-L21 HydrophobicContact CG1-CD2 4.33Å; I5-L21 HydrophobicContact CG2-CD2 4.41Å; M7-L21 HydrophobicContact CG-CD1 4.28Å; M7-L21 HydrophobicContact SD-CD1 3.92Å; D17-L21 WeakPolarHBondContact O-CG 3.32Å; K18-L21 WeakPolarHBondContact O-CB 3.33Å; K18-L21 PolarHBondContact O-N 3.2Å; K18-L21 VanDerWaalsContact O-N 3.14Å; M19-L21 PolarHBondContact O-N 3.44Å; L21-R97 PolarHBondContact O-NE 3.01Å; L21-R97 PolarHBondContact O-NH2 2.93Å
22	I	80.3	Confident	79.6	Confident	16 Å²	16	77.5 Å²	77.5	8%	0.082	40%	0.398	C	S	.	.			trans	-70.8	145.3	-176.4	69.3	178.5	0	0	0	111.1	M19 V24 N26 R97 P99	M19-I22 HydrophobicContact CE-CG2 4.22Å; M19-I22 VanDerWaalsContact O-CG1 3.31Å; M19-I22 WeakPolarHBondContact O-CG1 3.4Å; M19-I22 HydrophobicContact SD-CD1 3.85Å; M19-I22 HydrophobicContact SD-CG2 4.35Å; I22-V24 WeakPolarHBondContact CD1-O 3.25Å; I22-V24 WeakPolarHBondContact CG1-O 3.49Å; I22-V24 PolarHBondContact O-N 3.21Å; I22-N26 HydrophobicContact CD1-CB 4.08Å; I22-R97 HydrophobicContact CB-CG 4.47Å; I22-R97 HydrophobicContact CG2-CB 3.87Å; I22-R97 HydrophobicContact CG2-CG 3.77Å; I22-R97 WeakPolarHBondContact CG2-O 3.41Å; I22-P99 HydrophobicContact CD1-CB 4.03Å; I22-P99 HydrophobicContact CD1-CG 3.77Å; I22-P99 HydrophobicContact CG2-CG 4.47Å
23	P	72.5	Confident	78.9	Confident	90 Å²	90	76.9 Å²	76.9	58%	0.584	41%	0.408	S	S	*	.	S	Bend	trans	-74.7	-15.8	-179.3	29.7	-31.9	0	0	0	113	P207	P23-P207 HydrophobicContact CG-CB 3.71Å; P23-P207 HydrophobicContact CG-CG 4.24Å
24	V	74.1	Confident	78.4	Confident	35 Å²	35	79.1 Å²	79.1	21%	0.212	42%	0.422	C	S	.	.	S	Bend	trans	-101.4	115.1	179.3	-177.6	0	0	0	0	107.9	I22 N26 P207	I22-V24 WeakPolarHBondContact CD1-O 3.25Å; I22-V24 WeakPolarHBondContact CG1-O 3.49Å; I22-V24 PolarHBondContact O-N 3.21Å; V24-N26 PolarHBondContact O-N 2.83Å; V24-P207 HydrophobicContact CG2-CB 4.11Å
25	K	69	Low	78.4	Confident	202 Å²	202	79.5 Å²	79.5	88%	0.878	43%	0.429	S	S	*	.			trans	-63.7	109.3	179.3	-76.5	-173.2	175.9	-177.8	0	110.4
26	N	67.7	Low	78.4	Confident	39 Å²	39	87.8 Å²	87.8	21%	0.209	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-92.6	124.3	163.1	-80	-3.8	0	0	0	109	I22 V24 P99 L273	I22-N26 HydrophobicContact CD1-CB 4.08Å; V24-N26 PolarHBondContact O-N 2.83Å; N26-P99 VanDerWaalsContact ND2-CB 3.29Å; N26-P99 WeakPolarHBondContact ND2-CB 3.4Å; N26-L273 WeakPolarHBondContact ND2-CD2 3.39Å; N26-L273 VanDerWaalsContact OD1-CD2 3.29Å; N26-L273 WeakPolarHBondContact OD1-CD2 3.46Å
27	V	64.8	Low	78.7	Confident	125 Å²	125	91.9 Å²	91.9	76%	0.758	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-84.5	129.4	168.5	-175.8	0	0	0	0	107	T29	V27-T29 PolarHBondContact O-N 3.47Å
28	A	72.6	Confident	79	Confident	42 Å²	42	88.3 Å²	88.3	35%	0.347	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-56.6	133.8	177.3	0	0	0	0	0	109.6	E30 R270	A28-E30 PolarHBondContact O-N 3.05Å; A28-R270 CarbonylContact C-O 3.53Å; A28-R270 VanDerWaalsContact CA-O 3.3Å; A28-R270 WeakPolarHBondContact CA-O 3.37Å
29	T	73.7	Confident	79.2	Confident	17 Å²	17	95.3 Å²	95.3	10%	0.104	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-67.7	119.3	-177.4	-42.8	0	0	0	0	109.5	V27 A33 L34 Q267 R270 P274	V27-T29 PolarHBondContact O-N 3.47Å; T29-A33 HydrophobicContact CG2-CB 4.05Å; T29-L34 HydrophobicContact CG2-CD2 3.78Å; T29-L34 HydrophobicContact CG2-CG 4.05Å; T29-Q267 PolarHBondContact OG1-NE2 2.84Å; T29-Q267 VanDerWaalsContact OG1-NE2 3.17Å; T29-R270 PolarHBondContact N-O 2.75Å; T29-P274 HydrophobicContact CG2-CB 4.34Å
30	E	76.3	Confident	79.5	Confident	137 Å²	137	100 Å²	100	64%	0.64	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-65.8	150.6	171.8	-65.8	-171.8	168.6	0	0	110.2	A28 E32 A33 L34	A28-E30 PolarHBondContact O-N 3.05Å; E30-E32 PolarHBondContact O-N 3.09Å; E30-E32 VanDerWaalsContact O-N 3.15Å; E30-A33 PolarHBondContact O-N 2.97Å; E30-L34 PolarHBondContact O-N 3.25Å
31	R	73.4	Confident	79.7	Confident	228 Å²	228	97.5 Å²	97.5	86%	0.86	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-60.3	-32.1	-170.9	-169.7	176.7	175.9	-176.1	-2.4	112.8	A33 L34	R31-A33 VanDerWaalsContact C-N 3.34Å; R31-L34 PolarHBondContact O-N 2.81Å
32	E	73.2	Confident	79.8	Confident	184 Å²	184	102.4 Å²	102.4	86%	0.86	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-74.9	-24.4	180	-68.7	156.1	-168.3	0	0	112.7	E30	E30-E32 PolarHBondContact O-N 3.09Å; E30-E32 VanDerWaalsContact O-N 3.15Å
33	A	77.9	Confident	79.8	Confident	68 Å²	68	105.8 Å²	105.8	56%	0.562	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-88.2	-4.9	177.3	0	0	0	0	0	113.1	T29 E30 R31 L35	T29-A33 HydrophobicContact CG2-CB 4.05Å; E30-A33 PolarHBondContact O-N 2.97Å; R31-A33 VanDerWaalsContact C-N 3.34Å; A33-L35 PolarHBondContact O-N 3.42Å
34	L	82	Confident	80.1	Confident	80 Å²	80	111.2 Å²	111.2	42%	0.419	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-71.7	116.4	178	-74	168.5	0	0	0	110.7	T29 E30 R31 R36	T29-L34 HydrophobicContact CG2-CD2 3.78Å; T29-L34 HydrophobicContact CG2-CG 4.05Å; E30-L34 PolarHBondContact O-N 3.25Å; R31-L34 PolarHBondContact O-N 2.81Å; L34-R36 PolarHBondContact O-N 3.04Å
35	L	88.5	Confident	80.3	Confident	79 Å²	79	116.9 Å²	116.9	41%	0.414	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-61.4	128.7	172.9	-65.3	179.8	0	0	0	111	A33 K37 V275 Q276 Y278	A33-L35 PolarHBondContact O-N 3.42Å; L35-K37 PolarHBondContact O-N 3.33Å; L35-V275 HydrophobicContact CD1-CG1 4.49Å; L35-V275 WeakPolarHBondContact CD1-O 3.29Å; L35-Q276 VanDerWaalsContact CD1-C 3.49Å; L35-Q276 WeakPolarHBondContact CD1-O 3.06Å; L35-Y278 HydrophobicContact CB-CD2 4.27Å; L35-Y278 HydrophobicContact CB-CE2 3.65Å; L35-Y278 PolarHBondContact O-OH 3.3Å
36	R	89	Confident	80.8	Confident	231 Å²	231	109.4 Å²	109.4	87%	0.872	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-64.8	127.8	175.6	-173	177	178.9	-176.8	-1.2	109.7	L34 Y278	L34-R36 PolarHBondContact O-N 3.04Å; R36-Y278 WeakPolarHBondContact O-CE2 3.16Å
37	K	90.6	Very high	81.3	Confident	131 Å²	131	113.2 Å²	113.2	57%	0.57	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-61.1	129.4	174.5	-69.6	-176.2	177.9	-178.8	0	109.8	L35 M41 Y278	L35-K37 PolarHBondContact O-N 3.33Å; K37-M41 HydrophobicContact CB-CE 4.12Å; K37-M41 HydrophobicContact CD-CE 3.99Å; K37-M41 HydrophobicContact CG-CE 3.73Å; K37-Y278 HydrophobicContact CG-CE1 4.49Å; K37-Y278 WeakPolarHBondContact CG-OH 3.36Å
38	P	93.3	Very high	82.2	Confident	23 Å²	23	111.6 Å²	111.6	15%	0.149	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-71.6	165.5	177	31.4	-36.3	0	0	0	111	W40 M41 Y278	P38-W40 VanDerWaalsContact C-N 3.29Å; P38-W40 HydrophobicContact CB-CD2 3.71Å; P38-W40 VanDerWaalsContact CB-CE2 3.47Å; P38-W40 HydrophobicContact CB-CE3 3.8Å; P38-W40 HydrophobicContact CB-CH2 3.47Å; P38-W40 VanDerWaalsContact CB-CH2 3.47Å; P38-W40 HydrophobicContact CB-CZ2 3.36Å; P38-W40 HydrophobicContact CB-CZ3 3.69Å; P38-W40 HydrophobicContact CG-CD2 3.89Å; P38-W40 HydrophobicContact CG-CE3 4.49Å; P38-W40 HydrophobicContact CG-CG 4.4Å; P38-W40 HydrophobicContact CG-CH2 4.1Å; P38-W40 HydrophobicContact CG-CZ2 3.44Å; P38-W40 VanDerWaalsContact CG-CZ2 3.44Å; P38-W40 PolarHBondContact O-N 3.08Å; P38-M41 HydrophobicContact CG-CB 4.42Å; P38-M41 HydrophobicContact CG-CG 3.95Å; P38-M41 PolarHBondContact O-N 3.29Å; P38-M41 VanDerWaalsContact O-N 3.08Å; P38-Y278 VanDerWaalsContact CD-CD2 3.48Å; P38-Y278 HydrophobicContact CG-CD2 4.35Å; P38-Y278 HydrophobicContact CG-CG 4.05Å
39	E	92.5	Very high	82.8	Confident	149 Å²	149	112 Å²	112	70%	0.696	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-30.6	-170.5	-63	-149.8	108.1	0	0	114.4	M41 K42	E39-M41 PolarHBondContact O-N 3.34Å; E39-K42 WeakPolarHBondContact O-CD 3.42Å; E39-K42 WeakPolarHBondContact O-CG 3.4Å; E39-K42 IonicContact OE1-NZ 3.63Å
40	W	90.7	Very high	83.4	Confident	117 Å²	117	115.6 Å²	115.6	44%	0.443	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-13.4	177.2	56.6	90.1	0	0	0	113.3	P38 K42 P281	P38-W40 VanDerWaalsContact C-N 3.29Å; P38-W40 HydrophobicContact CB-CD2 3.71Å; P38-W40 VanDerWaalsContact CB-CE2 3.47Å; P38-W40 HydrophobicContact CB-CE3 3.8Å; P38-W40 HydrophobicContact CB-CH2 3.47Å; P38-W40 VanDerWaalsContact CB-CH2 3.47Å; P38-W40 HydrophobicContact CB-CZ2 3.36Å; P38-W40 HydrophobicContact CB-CZ3 3.69Å; P38-W40 HydrophobicContact CG-CD2 3.89Å; P38-W40 HydrophobicContact CG-CE3 4.49Å; P38-W40 HydrophobicContact CG-CG 4.4Å; P38-W40 HydrophobicContact CG-CH2 4.1Å; P38-W40 HydrophobicContact CG-CZ2 3.44Å; P38-W40 VanDerWaalsContact CG-CZ2 3.44Å; P38-W40 PolarHBondContact O-N 3.08Å; W40-K42 VanDerWaalsContact C-N 3.27Å; W40-K42 PolarHBondContact O-N 3.22Å; W40-K42 VanDerWaalsContact O-N 3.15Å; W40-P281 HydrophobicContact CB-CG 4.3Å; W40-P281 HydrophobicContact CD2-CG 4.42Å; W40-P281 HydrophobicContact CG-CG 4Å
41	M	88.5	Confident	83.6	Confident	17 Å²	17	114.8 Å²	114.8	8%	0.084	56%	0.562	C	S	.	*			trans	-89.6	57.5	175.6	-71.6	-132.5	-50.2	0	0	112.6	K37 P38 E39 Q264 L266 Y278 F304	K37-M41 HydrophobicContact CB-CE 4.12Å; K37-M41 HydrophobicContact CD-CE 3.99Å; K37-M41 HydrophobicContact CG-CE 3.73Å; P38-M41 HydrophobicContact CG-CB 4.42Å; P38-M41 HydrophobicContact CG-CG 3.95Å; P38-M41 PolarHBondContact O-N 3.29Å; P38-M41 VanDerWaalsContact O-N 3.08Å; E39-M41 PolarHBondContact O-N 3.34Å; M41-Q264 HydrophobicContact SD-CG 3.9Å; M41-L266 HydrophobicContact CE-CD2 3.55Å; M41-L266 HydrophobicContact SD-CD2 3.69Å; M41-Y278 HydrophobicContact CE-CD1 3.34Å; M41-Y278 HydrophobicContact CE-CE1 3.04Å; M41-Y278 HydrophobicContact CE-CG 4.31Å; M41-Y278 HydrophobicContact SD-CD1 3.93Å; M41-Y278 HydrophobicContact SD-CE1 4.17Å; M41-F304 HydrophobicContact CB-CZ 4.37Å
42	K	84.6	Confident	84	Confident	141 Å²	141	104.6 Å²	104.6	61%	0.613	53%	0.525	S	S	*	.			trans	-120.7	129.2	174.2	-67.7	172.6	-172.1	165.9	0	109.7	E39 W40	E39-K42 WeakPolarHBondContact O-CD 3.42Å; E39-K42 WeakPolarHBondContact O-CG 3.4Å; E39-K42 IonicContact OE1-NZ 3.63Å; W40-K42 VanDerWaalsContact C-N 3.27Å; W40-K42 PolarHBondContact O-N 3.22Å; W40-K42 VanDerWaalsContact O-N 3.15Å
43	I	81.6	Confident	84.7	Confident	86 Å²	86	101.4 Å²	101.4	44%	0.441	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-94	144.3	172.4	58.4	173.2	0	0	0	110.4	P74 F304	I43-P74 HydrophobicContact CD1-CB 4.4Å; I43-P74 HydrophobicContact CG2-CB 4.1Å; I43-F304 HydrophobicContact CG2-CD1 3.99Å; I43-F304 HydrophobicContact CG2-CE1 3.47Å; I43-F304 VanDerWaalsContact CG2-CE1 3.47Å; I43-F304 HydrophobicContact CG2-CE2 4.46Å; I43-F304 HydrophobicContact CG2-CZ 3.73Å
44	K	77.6	Confident	85	Confident	205 Å²	205	100.1 Å²	100.1	89%	0.891	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-85.8	127.3	170.3	-71.2	-178.7	-179.3	175.4	0	109.3
45	L	78.8	Confident	85	Confident	153 Å²	153	96.8 Å²	96.8	80%	0.801	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-74.5	140	171.8	-66.8	174.6	0	0	0	109.6
46	P	79.4	Confident	84.9	Confident	46 Å²	46	95.7 Å²	95.7	30%	0.299	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-69.3	144	-179.9	32.5	-38.1	0	0	0	110.5	D48 I52 A77	P46-D48 VanDerWaalsContact C-N 3.34Å; P46-I52 HydrophobicContact CB-CD1 4.46Å; P46-I52 HydrophobicContact CG-CD1 3.85Å; P46-A77 HydrophobicContact CB-CB 4.34Å; P46-A77 HydrophobicContact CG-CB 3.71Å
47	A	79	Confident	84.9	Confident	119 Å²	119	87 Å²	87	98%	0.983	46%	0.455	S	S	*	.	S	Bend	trans	-70.6	-31.7	173.1	0	0	0	0	0	112.3
48	D	83.4	Confident	84.8	Confident	91 Å²	91	82.1 Å²	82.1	49%	0.487	44%	0.44	S	S	.	.			trans	-122.2	131.6	177.3	-178.4	13.2	0	0	0	110.7	P46 T50	P46-D48 VanDerWaalsContact C-N 3.34Å; D48-T50 VanDerWaalsContact OD1-CB 3.26Å; D48-T50 WeakPolarHBondContact OD1-CB 3.39Å; D48-T50 PolarHBondContact OD1-N 3.38Å; D48-T50 PolarHBondContact OD1-OG1 3.02Å
49	S	84.9	Confident	84.5	Confident	49 Å²	49	81.1 Å²	81.1	34%	0.343	43%	0.433	S	S	.	.			trans	-111.4	3.8	178.9	66.9	0	0	0	0	113.8	R51 I52 Q53	S49-R51 PolarHBondContact O-N 3.49Å; S49-I52 WeakPolarHBondContact O-CB 3.47Å; S49-I52 PolarHBondContact O-N 2.95Å; S49-I52 VanDerWaalsContact O-N 3.16Å; S49-Q53 WeakPolarHBondContact O-CG 3.37Å; S49-Q53 PolarHBondContact O-N 3.36Å; S49-Q53 PolarHBondContact OG-NE2 3.03Å
50	T	85.8	Confident	84.4	Confident	94 Å²	94	81.4 Å²	81.4	58%	0.577	43%	0.428	S	S	*	.	H	α-helix	trans	-58.6	-48.3	-174.6	-54.4	0	0	0	0	111.9	D48 I52 Q53 G54	D48-T50 VanDerWaalsContact OD1-CB 3.26Å; D48-T50 WeakPolarHBondContact OD1-CB 3.39Å; D48-T50 PolarHBondContact OD1-N 3.38Å; D48-T50 PolarHBondContact OD1-OG1 3.02Å; T50-I52 VanDerWaalsContact C-N 3.34Å; T50-I52 PolarHBondContact O-N 2.68Å; T50-Q53 PolarHBondContact O-N 2.79Å; T50-G54 PolarHBondContact O-N 3.32Å
51	R	80.3	Confident	84.5	Confident	119 Å²	119	84.4 Å²	84.4	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-41	177.3	-171.3	169.4	-175.3	-179.4	9.3	111.9	S49 G54 I55 F80 N81	S49-R51 PolarHBondContact O-N 3.49Å; R51-G54 PolarHBondContact O-N 2.84Å; R51-I55 HydrophobicContact CG-CD1 4.25Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 3.32Å; R51-F80 WeakPolarHBondContact CD-O 3.28Å; R51-F80 PolarHBondContact NE-O 3.34Å; R51-N81 PolarHBondContact NH1-O 3Å
52	I	83	Confident	84.7	Confident	14 Å²	14	85.6 Å²	85.6	7%	0.072	45%	0.45	C	S	.	.	H	α-helix	trans	-60	-48.6	176.2	-59.7	166.2	0	0	0	110.3	P46 S49 T50 G54 I55 K56 L76 A77 F80	P46-I52 HydrophobicContact CB-CD1 4.46Å; P46-I52 HydrophobicContact CG-CD1 3.85Å; S49-I52 WeakPolarHBondContact O-CB 3.47Å; S49-I52 PolarHBondContact O-N 2.95Å; S49-I52 VanDerWaalsContact O-N 3.16Å; T50-I52 VanDerWaalsContact C-N 3.34Å; T50-I52 PolarHBondContact O-N 2.68Å; I52-G54 VanDerWaalsContact C-N 3.33Å; I52-G54 PolarHBondContact O-N 2.97Å; I52-I55 PolarHBondContact O-N 2.99Å; I52-K56 HydrophobicContact CG2-CD 4.22Å; I52-K56 WeakPolarHBondContact O-CB 3.38Å; I52-K56 VanDerWaalsContact O-CG 3.29Å; I52-K56 WeakPolarHBondContact O-CG 3.42Å; I52-K56 PolarHBondContact O-N 3Å; I52-L76 HydrophobicContact CG2-CD2 3.57Å; I52-A77 HydrophobicContact CD1-CB 3.67Å; I52-F80 HydrophobicContact CG1-CB 4.03Å; I52-F80 HydrophobicContact CG2-CD2 4.13Å
53	Q	86.5	Confident	85	Confident	118 Å²	118	81.2 Å²	81.2	55%	0.551	45%	0.446	S	S	*	.	H	α-helix	trans	-62.6	-40	178.6	-69	179.2	26.7	0	0	111.8	S49 T50 K56 A57	S49-Q53 WeakPolarHBondContact O-CG 3.37Å; S49-Q53 PolarHBondContact O-N 3.36Å; S49-Q53 PolarHBondContact OG-NE2 3.03Å; T50-Q53 PolarHBondContact O-N 2.79Å; Q53-K56 PolarHBondContact O-N 3.16Å; Q53-A57 VanDerWaalsContact O-CB 3.28Å; Q53-A57 WeakPolarHBondContact O-CB 3.3Å; Q53-A57 PolarHBondContact O-N 3.44Å
54	G	84.9	Confident	85.6	Confident	41 Å²	41	77.7 Å²	77.7	42%	0.423	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-48.6	175.4	0	0	0	0	0	112.7	T50 R51 I52 K56 A57 A58	T50-G54 PolarHBondContact O-N 3.32Å; R51-G54 PolarHBondContact O-N 2.84Å; I52-G54 VanDerWaalsContact C-N 3.33Å; I52-G54 PolarHBondContact O-N 2.97Å; G54-K56 PolarHBondContact O-N 3.41Å; G54-A57 PolarHBondContact O-N 2.97Å; G54-A58 WeakPolarHBondContact O-CB 3.46Å; G54-A58 PolarHBondContact O-N 3.43Å
55	I	82.7	Confident	86.4	Confident	9 Å²	9	70.2 Å²	70.2	5%	0.046	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-46.5	177.4	-66.6	174	0	0	0	110.6	R51 I52 A57 A58 M59 F80 M126	R51-I55 HydrophobicContact CG-CD1 4.25Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 3.32Å; I52-I55 PolarHBondContact O-N 2.99Å; I55-A57 VanDerWaalsContact C-N 3.31Å; I55-A57 PolarHBondContact O-N 3.05Å; I55-A58 PolarHBondContact O-N 3.28Å; I55-M59 HydrophobicContact CG2-SD 4.14Å; I55-M59 WeakPolarHBondContact O-CG 3.46Å; I55-M59 PolarHBondContact O-N 3.26Å; I55-F80 HydrophobicContact CB-CD2 3.8Å; I55-F80 HydrophobicContact CB-CE2 3.99Å; I55-F80 HydrophobicContact CD1-CB 3.78Å; I55-F80 HydrophobicContact CD1-CD2 4.02Å; I55-F80 HydrophobicContact CD1-CG 3.88Å; I55-F80 WeakPolarHBondContact CD1-O 3.3Å; I55-F80 HydrophobicContact CG1-CD2 4.49Å; I55-F80 HydrophobicContact CG2-CD2 3.65Å; I55-F80 HydrophobicContact CG2-CE1 4.44Å; I55-F80 HydrophobicContact CG2-CE2 3.4Å; I55-F80 HydrophobicContact CG2-CG 4.29Å; I55-F80 HydrophobicContact CG2-CZ 3.84Å; I55-M126 HydrophobicContact CB-CE 4.22Å; I55-M126 HydrophobicContact CD1-CE 3.73Å; I55-M126 HydrophobicContact CG1-CE 3.56Å; I55-M126 HydrophobicContact CG1-SD 4.32Å; I55-M126 HydrophobicContact CG2-CE 3.74Å; I55-M126 HydrophobicContact CG2-SD 4.25Å
56	K	86.4	Confident	87	Confident	57 Å²	57	63 Å²	63	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-40	176.9	-72.5	-173.5	174.1	-154.2	0	112.5	I52 Q53 G54 R60 E69 F80	I52-K56 HydrophobicContact CG2-CD 4.22Å; I52-K56 WeakPolarHBondContact O-CB 3.38Å; I52-K56 VanDerWaalsContact O-CG 3.29Å; I52-K56 WeakPolarHBondContact O-CG 3.42Å; I52-K56 PolarHBondContact O-N 3Å; Q53-K56 PolarHBondContact O-N 3.16Å; G54-K56 PolarHBondContact O-N 3.41Å; K56-R60 WeakPolarHBondContact O-CB 3.47Å; K56-R60 WeakPolarHBondContact O-CG 3.39Å; K56-R60 PolarHBondContact O-N 2.77Å; K56-E69 WeakPolarHBondContact CD-OE1 3.5Å; K56-E69 WeakPolarHBondContact CE-OE1 3.39Å; K56-E69 WeakPolarHBondContact CG-OE1 3.23Å; K56-E69 IonicContact NZ-OE1 3.84Å; K56-E69 PolarHBondContact NZ-OE1 3.38Å; K56-F80 HydrophobicContact CG-CE2 4.21Å
57	A	88.9	Confident	87.4	Confident	47 Å²	47	62.6 Å²	62.6	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-66.9	-43.1	177.2	0	0	0	0	0	111.6	Q53 G54 I55 R60 K61	Q53-A57 VanDerWaalsContact O-CB 3.28Å; Q53-A57 WeakPolarHBondContact O-CB 3.3Å; Q53-A57 PolarHBondContact O-N 3.44Å; G54-A57 PolarHBondContact O-N 2.97Å; I55-A57 VanDerWaalsContact C-N 3.31Å; I55-A57 PolarHBondContact O-N 3.05Å; A57-R60 PolarHBondContact O-N 2.83Å; A57-K61 VanDerWaalsContact O-CB 3.25Å; A57-K61 WeakPolarHBondContact O-CB 3.2Å; A57-K61 PolarHBondContact O-N 2.74Å
58	A	87.4	Confident	87.7	Confident	30 Å²	30	57.2 Å²	57.2	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-46.8	176.5	0	0	0	0	0	111.6	G54 I55 K61 N62 T122	G54-A58 WeakPolarHBondContact O-CB 3.46Å; G54-A58 PolarHBondContact O-N 3.43Å; I55-A58 PolarHBondContact O-N 3.28Å; A58-K61 PolarHBondContact O-N 3.06Å; A58-N62 PolarHBondContact O-N 3.03Å; A58-N62 VanDerWaalsContact O-N 3.13Å; A58-N62 PolarHBondContact O-ND2 2.78Å; A58-T122 HydrophobicContact CB-CG2 4.32Å
59	M	88.4	Confident	87.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-50.6	175.7	-74	174.2	38.6	0	0	112.2	I55 K61 N62 G63 L64 S66 E69 F80 F87	I55-M59 HydrophobicContact CG2-SD 4.14Å; I55-M59 WeakPolarHBondContact O-CG 3.46Å; I55-M59 PolarHBondContact O-N 3.26Å; M59-K61 PolarHBondContact O-N 3.33Å; M59-N62 CarbonylContact O-C 3.54Å; M59-N62 PolarHBondContact O-N 3.45Å; M59-N62 VanDerWaalsContact O-N 3.16Å; M59-G63 PolarHBondContact O-N 3.29Å; M59-L64 HydrophobicContact CB-CB 4.39Å; M59-L64 PolarHBondContact O-N 3.47Å; M59-S66 VanDerWaalsContact CE-N 3.29Å; M59-E69 WeakPolarHBondContact CE-OE2 3.46Å; M59-F80 HydrophobicContact SD-CZ 4.39Å; M59-F87 HydrophobicContact CG-CE1 4.02Å
60	R	90.7	Very high	87.8	Confident	156 Å²	156	54.4 Å²	54.4	59%	0.589	29%	0.288	S	S	*	.	H	α-helix	trans	-60.4	-43.8	179.1	-77.5	-170.5	-67.1	-93.5	0.3	112.4	K56 A57 N62 G63	K56-R60 WeakPolarHBondContact O-CB 3.47Å; K56-R60 WeakPolarHBondContact O-CG 3.39Å; K56-R60 PolarHBondContact O-N 2.77Å; A57-R60 PolarHBondContact O-N 2.83Å; R60-N62 PolarHBondContact O-N 2.79Å; R60-G63 PolarHBondContact O-N 3.35Å; R60-G63 VanDerWaalsContact O-N 3.14Å
61	K	91.8	Very high	87.5	Confident	180 Å²	180	51.5 Å²	51.5	78%	0.783	27%	0.273	S	S	*	.	H	α-helix	trans	-57.2	-37.5	177.6	-179.5	-175.8	175.1	-172.1	0	111.5	A57 A58 M59	A57-K61 VanDerWaalsContact O-CB 3.25Å; A57-K61 WeakPolarHBondContact O-CB 3.2Å; A57-K61 PolarHBondContact O-N 2.74Å; A58-K61 PolarHBondContact O-N 3.06Å; M59-K61 PolarHBondContact O-N 3.33Å
62	N	91.8	Very high	87.6	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.219	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	5.3	-177.9	-66.8	-35.6	0	0	0	113.5	A58 M59 R60 L64 K118 T122	A58-N62 PolarHBondContact O-N 3.03Å; A58-N62 VanDerWaalsContact O-N 3.13Å; A58-N62 PolarHBondContact O-ND2 2.78Å; M59-N62 CarbonylContact O-C 3.54Å; M59-N62 PolarHBondContact O-N 3.45Å; M59-N62 VanDerWaalsContact O-N 3.16Å; R60-N62 PolarHBondContact O-N 2.79Å; N62-L64 HydrophobicContact CB-CD1 4.02Å; N62-L64 HydrophobicContact CB-CG 3.98Å; N62-L64 PolarHBondContact O-N 3.28Å; N62-K118 HydrophobicContact CB-CB 4.45Å; N62-K118 WeakPolarHBondContact O-CD 3.33Å; N62-T122 PolarHBondContact ND2-OG1 3.15Å
63	G	92.2	Very high	87.7	Confident	50 Å²	50	50.4 Å²	50.4	52%	0.515	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	25.8	-178.1	0	0	0	0	0	113.8	M59 R60	M59-G63 PolarHBondContact O-N 3.29Å; R60-G63 PolarHBondContact O-N 3.35Å; R60-G63 VanDerWaalsContact O-N 3.14Å
64	L	94.7	Very high	87.5	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.058	27%	0.27	C	S	.	.			trans	-91.5	152.3	179.7	-61.6	174.2	0	0	0	110.8	M59 N62 F87 E115 K118 L119 T122	M59-L64 HydrophobicContact CB-CB 4.39Å; M59-L64 PolarHBondContact O-N 3.47Å; N62-L64 HydrophobicContact CB-CD1 4.02Å; N62-L64 HydrophobicContact CB-CG 3.98Å; N62-L64 PolarHBondContact O-N 3.28Å; L64-F87 HydrophobicContact CD1-CD1 4.4Å; L64-F87 HydrophobicContact CD1-CE1 4.31Å; L64-E115 HydrophobicContact CD2-CG 4.06Å; L64-K118 HydrophobicContact CD2-CB 4.34Å; L64-L119 HydrophobicContact CD1-CD1 4.3Å; L64-L119 HydrophobicContact CD2-CB 4.2Å; L64-T122 HydrophobicContact CD1-CG2 4.04Å; L64-T122 VanDerWaalsContact CD1-OG1 3.25Å; L64-T122 WeakPolarHBondContact CD1-OG1 3.09Å
65	H	93.9	Very high	87.5	Confident	49 Å²	49	44.8 Å²	44.8	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.8	175.7	-58.8	-82.2	0	0	0	111.3	E70 M88 A92	H65-E70 HydrophobicContact CB-CG 4.36Å; H65-E70 IonicContact CE1-OE1 3.73Å; H65-E70 IonicContact ND1-OE1 2.91Å; H65-E70 PolarHBondContact ND1-OE1 3.32Å; H65-M88 HydrophobicContact CB-CB 4.28Å; H65-M88 HydrophobicContact CB-CE 4.01Å; H65-M88 WeakPolarHBondContact CB-O 3.45Å; H65-M88 PolarHBondContact O-N 3Å; H65-A92 HydrophobicContact CB-CB 4.41Å; H65-A92 WeakPolarHBondContact ND1-CB 3.46Å
66	S	90.5	Very high	87.6	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.5	169.6	177.2	0	0	0	0	108.8	M59 C68 E69 E70 T86	M59-S66 VanDerWaalsContact CE-N 3.29Å; S66-C68 PolarHBondContact O-N 3.23Å; S66-C68 VanDerWaalsContact OG-CB 3.26Å; S66-C68 WeakPolarHBondContact OG-CB 3.23Å; S66-C68 PolarHBondContact OG-N 3.15Å; S66-C68 PolarHBondContact OG-SG 3.22Å; S66-E69 PolarHBondContact O-N 2.98Å; S66-E69 VanDerWaalsContact O-N 3.1Å; S66-E70 WeakPolarHBondContact O-CB 3.47Å; S66-E70 WeakPolarHBondContact O-CG 3.27Å; S66-E70 PolarHBondContact O-N 2.82Å; S66-T86 WeakPolarHBondContact CA-O 3.49Å; S66-T86 VanDerWaalsContact CB-O 3.29Å; S66-T86 WeakPolarHBondContact CB-O 3.47Å; S66-T86 PolarHBondContact OG-O 3.27Å
67	V	88	Confident	87.5	Confident	37 Å²	37	43.8 Å²	43.8	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-26.5	170.2	73.4	0	0	0	0	111.1	E69 A71 T86 M88 T134	V67-E69 VanDerWaalsContact C-N 3.27Å; V67-E69 PolarHBondContact O-N 2.89Å; V67-A71 HydrophobicContact CG2-CB 3.86Å; V67-A71 WeakPolarHBondContact O-CA 3.49Å; V67-A71 WeakPolarHBondContact O-CB 3.29Å; V67-A71 PolarHBondContact O-N 3.49Å; V67-T86 HydrophobicContact CG1-CG2 3.42Å; V67-T86 VanDerWaalsContact CG1-CG2 3.42Å; V67-M88 HydrophobicContact CB-CB 4.49Å; V67-T134 HydrophobicContact CB-CG2 4.03Å; V67-T134 HydrophobicContact CG1-CG2 4.16Å
68	C	84.8	Confident	87.2	Confident	6 Å²	6	45 Å²	45	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-39.1	176.5	-55.4	0	0	0	0	111.6	S66 C73 L76 F80	S66-C68 PolarHBondContact O-N 3.23Å; S66-C68 VanDerWaalsContact OG-CB 3.26Å; S66-C68 WeakPolarHBondContact OG-CB 3.23Å; S66-C68 PolarHBondContact OG-N 3.15Å; S66-C68 PolarHBondContact OG-SG 3.22Å; C68-C73 HydrophobicContact CB-CB 4.28Å; C68-C73 WeakPolarHBondContact O-CB 3.36Å; C68-C73 PolarHBondContact O-N 3.14Å; C68-L76 HydrophobicContact CB-CB 4.32Å; C68-L76 HydrophobicContact CB-CD1 3.89Å; C68-L76 HydrophobicContact CB-CG 4.12Å; C68-F80 HydrophobicContact CB-CE1 4.12Å; C68-F80 HydrophobicContact CB-CZ 4.27Å
69	E	84.9	Confident	86.9	Confident	60 Å²	60	44 Å²	44	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-84	-46.3	176.1	-68.3	-166.2	108.1	0	0	111.7	K56 M59 S66 V67 A71 S72 L76	K56-E69 WeakPolarHBondContact CD-OE1 3.5Å; K56-E69 WeakPolarHBondContact CE-OE1 3.39Å; K56-E69 WeakPolarHBondContact CG-OE1 3.23Å; K56-E69 IonicContact NZ-OE1 3.84Å; K56-E69 PolarHBondContact NZ-OE1 3.38Å; M59-E69 WeakPolarHBondContact CE-OE2 3.46Å; S66-E69 PolarHBondContact O-N 2.98Å; S66-E69 VanDerWaalsContact O-N 3.1Å; V67-E69 VanDerWaalsContact C-N 3.27Å; V67-E69 PolarHBondContact O-N 2.89Å; E69-A71 VanDerWaalsContact C-N 3.27Å; E69-A71 PolarHBondContact O-N 3.49Å; E69-S72 PolarHBondContact O-N 3.39Å; E69-L76 HydrophobicContact CG-CD1 3.7Å
70	E	86.1	Confident	86.5	Confident	22 Å²	22	43.9 Å²	43.9	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-74.5	-19.3	-171.2	-62.6	-78.5	-179.9	0	0	113	K12 R14 H65 S66 M88 A92	K12-E70 IonicContact NZ-OE1 3.35Å; K12-E70 PolarHBondContact NZ-OE1 2.89Å; K12-E70 IonicContact NZ-OE2 3.26Å; K12-E70 PolarHBondContact NZ-OE2 3.35Å; R14-E70 IonicContact CZ-OE2 3.22Å; R14-E70 PolarHBondContact NH1-O 2.91Å; R14-E70 IonicContact NH2-OE2 3.48Å; R14-E70 PolarHBondContact NH2-OE2 2.95Å; H65-E70 HydrophobicContact CB-CG 4.36Å; H65-E70 IonicContact CE1-OE1 3.73Å; H65-E70 IonicContact ND1-OE1 2.91Å; H65-E70 PolarHBondContact ND1-OE1 3.32Å; S66-E70 WeakPolarHBondContact O-CB 3.47Å; S66-E70 WeakPolarHBondContact O-CG 3.27Å; S66-E70 PolarHBondContact O-N 2.82Å; E70-M88 HydrophobicContact CB-CE 3.7Å; E70-M88 HydrophobicContact CG-CE 3.61Å; E70-A92 HydrophobicContact CG-CB 4.15Å; E70-A92 WeakPolarHBondContact OE1-CB 3.47Å
71	A	79.4	Confident	85.9	Confident	32 Å²	32	39 Å²	39	26%	0.264	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	17.1	176.2	0	0	0	0	0	114.4	V67 E69 C73 V103	V67-A71 HydrophobicContact CG2-CB 3.86Å; V67-A71 WeakPolarHBondContact O-CA 3.49Å; V67-A71 WeakPolarHBondContact O-CB 3.29Å; V67-A71 PolarHBondContact O-N 3.49Å; E69-A71 VanDerWaalsContact C-N 3.27Å; E69-A71 PolarHBondContact O-N 3.49Å; A71-C73 VanDerWaalsContact C-N 3.35Å; A71-C73 PolarHBondContact O-N 3.03Å; A71-V103 HydrophobicContact CB-CG2 4.32Å
72	S	82.1	Confident	85.1	Confident	81 Å²	81	35.7 Å²	35.7	57%	0.566	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	44.6	173.9	-58.2	0	0	0	0	114.1	E69 D102	E69-S72 PolarHBondContact O-N 3.39Å; S72-D102 WeakPolarHBondContact CB-OD2 3.34Å; S72-D102 PolarHBondContact OG-OD2 3.43Å
73	C	85.2	Confident	84.2	Confident	29 Å²	29	34.2 Å²	34.2	20%	0.196	21%	0.207	C	C	.	.			trans	-67.3	127.1	-172.1	-177.4	0	0	0	0	112.2	C68 A71 N75 L76	C68-C73 HydrophobicContact CB-CB 4.28Å; C68-C73 WeakPolarHBondContact O-CB 3.36Å; C68-C73 PolarHBondContact O-N 3.14Å; A71-C73 VanDerWaalsContact C-N 3.35Å; A71-C73 PolarHBondContact O-N 3.03Å; C73-N75 PolarHBondContact O-N 2.97Å; C73-N75 PolarHBondContact SG-N 3.14Å; C73-L76 PolarHBondContact O-N 3.47Å
74	P	83.3	Confident	83.5	Confident	36 Å²	36	32 Å²	32	23%	0.234	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.2	178.5	27.7	-36.5	0	0	0	113.2	I43 L266 F304	I43-P74 HydrophobicContact CD1-CB 4.4Å; I43-P74 HydrophobicContact CG2-CB 4.1Å; P74-L266 HydrophobicContact CG-CD1 3.93Å; P74-F304 HydrophobicContact CB-CD1 4.44Å; P74-F304 HydrophobicContact CG-CD1 4.26Å
75	N	84.8	Confident	82.8	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.032	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.8	-174.2	-52.5	-15.8	0	0	0	113.1	C73 A77 E78 C79 F304 Y309	C73-N75 PolarHBondContact O-N 2.97Å; C73-N75 PolarHBondContact SG-N 3.14Å; N75-A77 VanDerWaalsContact C-N 3.26Å; N75-A77 PolarHBondContact O-N 3.35Å; N75-E78 PolarHBondContact O-N 3.16Å; N75-E78 VanDerWaalsContact O-N 3.1Å; N75-C79 PolarHBondContact O-N 3.2Å; N75-F304 PolarHBondContact ND2-O 2.93Å; N75-Y309 HydrophobicContact CB-CD2 3.68Å; N75-Y309 HydrophobicContact CB-CE2 3.8Å; N75-Y309 WeakPolarHBondContact ND2-CD2 3.36Å
76	L	85.3	Confident	82.7	Confident	21 Å²	21	29.4 Å²	29.4	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-52.6	-46.8	-174.5	-179.3	154.8	0	0	0	111.6	I52 C68 E69 C73 E78 F80	I52-L76 HydrophobicContact CG2-CD2 3.57Å; C68-L76 HydrophobicContact CB-CB 4.32Å; C68-L76 HydrophobicContact CB-CD1 3.89Å; C68-L76 HydrophobicContact CB-CG 4.12Å; E69-L76 HydrophobicContact CG-CD1 3.7Å; C73-L76 PolarHBondContact O-N 3.47Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.3Å; L76-F80 HydrophobicContact CD1-CE2 4.42Å; L76-F80 HydrophobicContact CD1-CZ 4.44Å; L76-F80 HydrophobicContact CD2-CD2 3.89Å; L76-F80 HydrophobicContact CD2-CE2 4.1Å; L76-F80 HydrophobicContact CD2-CG 4.27Å; L76-F80 HydrophobicContact CG-CD1 4.48Å; L76-F80 HydrophobicContact CG-CD2 4.24Å; L76-F80 HydrophobicContact CG-CE1 4.39Å; L76-F80 HydrophobicContact CG-CE2 4.14Å; L76-F80 HydrophobicContact CG-CG 4.42Å; L76-F80 HydrophobicContact CG-CZ 4.22Å; L76-F80 VanDerWaalsContact O-CB 3.23Å; L76-F80 WeakPolarHBondContact O-CB 3.15Å; L76-F80 WeakPolarHBondContact O-CG 3.44Å; L76-F80 PolarHBondContact O-N 2.84Å
77	A	82.8	Confident	82.9	Confident	24 Å²	24	29.4 Å²	29.4	20%	0.198	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-43.6	-178.7	0	0	0	0	0	112.4	P46 I52 N75 N81	P46-A77 HydrophobicContact CB-CB 4.34Å; P46-A77 HydrophobicContact CG-CB 3.71Å; I52-A77 HydrophobicContact CD1-CB 3.67Å; N75-A77 VanDerWaalsContact C-N 3.26Å; N75-A77 PolarHBondContact O-N 3.35Å; A77-N81 VanDerWaalsContact O-CB 3.29Å; A77-N81 WeakPolarHBondContact O-CB 3.49Å; A77-N81 VanDerWaalsContact O-CG 3.28Å; A77-N81 PolarHBondContact O-N 3.44Å; A77-N81 VanDerWaalsContact O-N 3.16Å; A77-N81 PolarHBondContact O-ND2 2.93Å
78	E	82.4	Confident	83.3	Confident	72 Å²	72	27.9 Å²	27.9	34%	0.336	16%	0.162	S	C	.	.	H	α-helix	trans	-69	-51.8	-178.4	-171	-178.8	174.8	0	0	111.4	N75 L76 F80 N81 H82 Y309 H310	N75-E78 PolarHBondContact O-N 3.16Å; N75-E78 VanDerWaalsContact O-N 3.1Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.3Å; E78-F80 PolarHBondContact O-N 3.13Å; E78-N81 PolarHBondContact O-N 2.58Å; E78-H82 PolarHBondContact O-N 3.25Å; E78-H82 VanDerWaalsContact O-N 3.1Å; E78-H82 PolarHBondContact O-ND1 2.88Å; E78-Y309 VanDerWaalsContact CD-OH 3.22Å; E78-Y309 PolarHBondContact OE1-OH 3.28Å; E78-Y309 VanDerWaalsContact OE1-OH 3.06Å; E78-Y309 VanDerWaalsContact OE2-CE2 3.31Å; E78-Y309 WeakPolarHBondContact OE2-CE2 3.24Å; E78-Y309 PolarHBondContact OE2-OH 3.34Å; E78-H310 IonicContact OE1-CD2 3.83Å; E78-H310 IonicContact OE1-CE1 2.88Å; E78-H310 PolarHBondContact OE1-CE1 3.19Å; E78-H310 IonicContact OE1-NE2 3.73Å; E78-H310 PolarHBondContact OE1-NE2 2.82Å
79	C	81.4	Confident	83.9	Confident	8 Å²	8	27.7 Å²	27.7	5%	0.054	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-45.1	-178.8	-67.5	0	0	0	0	111.7	N75 N81 H82 G83 T84	N75-C79 PolarHBondContact O-N 3.2Å; C79-N81 VanDerWaalsContact C-N 3.27Å; C79-N81 PolarHBondContact O-N 3.03Å; C79-H82 PolarHBondContact O-N 2.74Å; C79-H82 VanDerWaalsContact O-N 3.1Å; C79-G83 PolarHBondContact O-N 3.5Å; C79-T84 CarbonylContact C-O 3.59Å; C79-T84 VanDerWaalsContact C-O 3.25Å; C79-T84 PolarHBondContact O-N 3.4Å
80	F	80.1	Confident	84.5	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-34.3	-179	-80.5	23.8	0	0	0	111.3	R51 I52 I55 K56 M59 C68 L76 E78 H82 G83 A85	R51-F80 WeakPolarHBondContact CD-O 3.28Å; R51-F80 PolarHBondContact NE-O 3.34Å; I52-F80 HydrophobicContact CG1-CB 4.03Å; I52-F80 HydrophobicContact CG2-CD2 4.13Å; I55-F80 HydrophobicContact CB-CD2 3.8Å; I55-F80 HydrophobicContact CB-CE2 3.99Å; I55-F80 HydrophobicContact CD1-CB 3.78Å; I55-F80 HydrophobicContact CD1-CD2 4.02Å; I55-F80 HydrophobicContact CD1-CG 3.88Å; I55-F80 WeakPolarHBondContact CD1-O 3.3Å; I55-F80 HydrophobicContact CG1-CD2 4.49Å; I55-F80 HydrophobicContact CG2-CD2 3.65Å; I55-F80 HydrophobicContact CG2-CE1 4.44Å; I55-F80 HydrophobicContact CG2-CE2 3.4Å; I55-F80 HydrophobicContact CG2-CG 4.29Å; I55-F80 HydrophobicContact CG2-CZ 3.84Å; K56-F80 HydrophobicContact CG-CE2 4.21Å; M59-F80 HydrophobicContact SD-CZ 4.39Å; C68-F80 HydrophobicContact CB-CE1 4.12Å; C68-F80 HydrophobicContact CB-CZ 4.27Å; L76-F80 HydrophobicContact CD1-CE2 4.42Å; L76-F80 HydrophobicContact CD1-CZ 4.44Å; L76-F80 HydrophobicContact CD2-CD2 3.89Å; L76-F80 HydrophobicContact CD2-CE2 4.1Å; L76-F80 HydrophobicContact CD2-CG 4.27Å; L76-F80 HydrophobicContact CG-CD1 4.48Å; L76-F80 HydrophobicContact CG-CD2 4.24Å; L76-F80 HydrophobicContact CG-CE1 4.39Å; L76-F80 HydrophobicContact CG-CE2 4.14Å; L76-F80 HydrophobicContact CG-CG 4.42Å; L76-F80 HydrophobicContact CG-CZ 4.22Å; L76-F80 VanDerWaalsContact O-CB 3.23Å; L76-F80 WeakPolarHBondContact O-CB 3.15Å; L76-F80 WeakPolarHBondContact O-CG 3.44Å; L76-F80 PolarHBondContact O-N 2.84Å; E78-F80 PolarHBondContact O-N 3.13Å; F80-H82 VanDerWaalsContact C-N 3.34Å; F80-G83 PolarHBondContact O-N 3.43Å; F80-A85 HydrophobicContact CE1-CB 4.19Å
81	N	77.9	Confident	85	Confident	52 Å²	52	24.9 Å²	24.9	28%	0.278	15%	0.152	S	C	.	.	H	α-helix	trans	-70.7	-26.5	174.8	-79.8	-14.4	0	0	0	113.5	R51 A77 E78 C79	R51-N81 PolarHBondContact NH1-O 3Å; A77-N81 VanDerWaalsContact O-CB 3.29Å; A77-N81 WeakPolarHBondContact O-CB 3.49Å; A77-N81 VanDerWaalsContact O-CG 3.28Å; A77-N81 PolarHBondContact O-N 3.44Å; A77-N81 VanDerWaalsContact O-N 3.16Å; A77-N81 PolarHBondContact O-ND2 2.93Å; E78-N81 PolarHBondContact O-N 2.58Å; C79-N81 VanDerWaalsContact C-N 3.27Å; C79-N81 PolarHBondContact O-N 3.03Å
82	H	76	Confident	85.7	Confident	111 Å²	111	23.5 Å²	23.5	51%	0.514	14%	0.141	S	C	.	.	H	α-helix	trans	-88.6	-4.6	176.3	-70.3	85.7	0	0	0	114.2	E78 C79 F80 H310	E78-H82 PolarHBondContact O-N 3.25Å; E78-H82 VanDerWaalsContact O-N 3.1Å; E78-H82 PolarHBondContact O-ND1 2.88Å; C79-H82 PolarHBondContact O-N 2.74Å; C79-H82 VanDerWaalsContact O-N 3.1Å; F80-H82 VanDerWaalsContact C-N 3.34Å; H82-H310 AromaticContact CG-CE1 4Å; H82-H310 AromaticContact ND1-CE1 3.88Å
83	G	72.4	Confident	86.4	Confident	10 Å²	10	20.3 Å²	20.3	10%	0.103	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	34.2	-178.4	0	0	0	0	0	113.2	C79 F80 L128	C79-G83 PolarHBondContact O-N 3.5Å; F80-G83 PolarHBondContact O-N 3.43Å; G83-L128 WeakPolarHBondContact O-CD2 3.36Å
84	T	77	Confident	86.9	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.025	11%	0.112	C	C	.	.			trans	-118.9	127.3	169.3	-61.2	0	0	0	0	108.2	C79 D312	C79-T84 CarbonylContact C-O 3.59Å; C79-T84 VanDerWaalsContact C-O 3.25Å; C79-T84 PolarHBondContact O-N 3.4Å; T84-D312 PolarHBondContact OG1-OD1 3.19Å
85	A	80.7	Confident	87.5	Confident	2 Å²	2	19.1 Å²	19.1	2%	0.017	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.6	177.7	0	0	0	0	0	110.1	F80 F87 M126 L128 V132	F80-A85 HydrophobicContact CE1-CB 4.19Å; A85-F87 HydrophobicContact CB-CD2 4.48Å; A85-F87 HydrophobicContact CB-CE2 3.86Å; A85-F87 HydrophobicContact CB-CZ 4.17Å; A85-M126 HydrophobicContact CB-CE 4.21Å; A85-L128 HydrophobicContact CB-CD1 4.31Å; A85-V132 PolarHBondContact O-N 2.85Å
86	T	90.8	Very high	88	Confident	3 Å²	3	19.3 Å²	19.3	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.8	172.4	-53.2	0	0	0	0	108.9	S66 V67 V132 T134 S308	S66-T86 WeakPolarHBondContact CA-O 3.49Å; S66-T86 VanDerWaalsContact CB-O 3.29Å; S66-T86 WeakPolarHBondContact CB-O 3.47Å; S66-T86 PolarHBondContact OG-O 3.27Å; V67-T86 HydrophobicContact CG1-CG2 3.42Å; V67-T86 VanDerWaalsContact CG1-CG2 3.42Å; T86-V132 CarbonylContact C-O 3.52Å; T86-V132 VanDerWaalsContact CA-O 3.28Å; T86-V132 WeakPolarHBondContact CA-O 3.43Å; T86-V132 HydrophobicContact CG2-CB 3.85Å; T86-V132 HydrophobicContact CG2-CG1 3.75Å; T86-T134 HydrophobicContact CG2-CG2 3.96Å; T86-S308 WeakPolarHBondContact OG1-CB 3.41Å; T86-S308 PolarHBondContact OG1-OG 3.33Å
87	F	94.7	Very high	88.4	Confident	2 Å²	2	22 Å²	22	1%	0.009	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.2	177.9	-64.8	-90	0	0	0	109.7	M59 L64 A85 L119 T122 I123 M126 L128 V131 V132 T134	M59-F87 HydrophobicContact CG-CE1 4.02Å; L64-F87 HydrophobicContact CD1-CD1 4.4Å; L64-F87 HydrophobicContact CD1-CE1 4.31Å; A85-F87 HydrophobicContact CB-CD2 4.48Å; A85-F87 HydrophobicContact CB-CE2 3.86Å; A85-F87 HydrophobicContact CB-CZ 4.17Å; F87-L119 HydrophobicContact CB-CD1 3.57Å; F87-L119 HydrophobicContact CD1-CD1 3.47Å; F87-L119 VanDerWaalsContact CD1-CD1 3.47Å; F87-L119 HydrophobicContact CD2-CD1 3.74Å; F87-L119 HydrophobicContact CE1-CD1 4.03Å; F87-L119 HydrophobicContact CE2-CD1 4.27Å; F87-L119 HydrophobicContact CG-CD1 3.3Å; F87-L119 HydrophobicContact CZ-CD1 4.4Å; F87-T122 HydrophobicContact CE1-CG2 4.2Å; F87-T122 HydrophobicContact CZ-CG2 4.34Å; F87-I123 HydrophobicContact CD2-CD1 4.32Å; F87-I123 HydrophobicContact CD2-CG1 4.28Å; F87-I123 HydrophobicContact CE2-CD1 4.19Å; F87-I123 HydrophobicContact CE2-CG1 3.66Å; F87-I123 HydrophobicContact CZ-CG1 4.05Å; F87-M126 HydrophobicContact CZ-CE 4.42Å; F87-M126 HydrophobicContact CZ-SD 4.16Å; F87-L128 HydrophobicContact CE2-CD1 3.97Å; F87-L128 HydrophobicContact CZ-CD1 4.47Å; F87-V131 HydrophobicContact CD2-CG2 3.58Å; F87-V131 HydrophobicContact CE2-CG2 3.86Å; F87-V132 PolarHBondContact N-O 3.28Å; F87-T134 PolarHBondContact O-N 2.73Å
88	M	96.4	Very high	89	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.02	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	106.7	174.7	-172.7	174.2	65	0	0	108.3	H65 V67 E70 A92 V103 T134 V136	H65-M88 HydrophobicContact CB-CB 4.28Å; H65-M88 HydrophobicContact CB-CE 4.01Å; H65-M88 WeakPolarHBondContact CB-O 3.45Å; H65-M88 PolarHBondContact O-N 3Å; V67-M88 HydrophobicContact CB-CB 4.49Å; E70-M88 HydrophobicContact CB-CE 3.7Å; E70-M88 HydrophobicContact CG-CE 3.61Å; M88-A92 HydrophobicContact CE-CB 3.74Å; M88-V103 HydrophobicContact CE-CG1 4.41Å; M88-V103 HydrophobicContact SD-CG1 4.31Å; M88-V103 HydrophobicContact SD-CG2 4.16Å; M88-T134 CarbonylContact C-O 3.5Å; M88-T134 VanDerWaalsContact CA-O 3.29Å; M88-T134 WeakPolarHBondContact CA-O 3.42Å; M88-T134 HydrophobicContact CB-CG2 4.14Å; M88-T134 HydrophobicContact CG-CG2 4.24Å; M88-V136 HydrophobicContact CE-CG1 4.23Å; M88-V136 HydrophobicContact CG-CG1 4.4Å; M88-V136 HydrophobicContact SD-CG1 3.75Å
89	I	98.1	Very high	89.5	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	172.3	177.2	61.2	164.1	0	0	0	110.7	G91 E115 L119 I133 T134 S135 F149	I89-G91 PolarHBondContact O-N 3.47Å; I89-E115 WeakPolarHBondContact CB-OE2 3.41Å; I89-E115 HydrophobicContact CG2-CG 4.45Å; I89-L119 HydrophobicContact CG2-CD2 3.76Å; I89-I133 HydrophobicContact CD1-CG2 4Å; I89-I133 HydrophobicContact CG1-CG2 4.03Å; I89-I133 HydrophobicContact CG2-CG2 3.84Å; I89-T134 VanDerWaalsContact CG1-O 3.26Å; I89-T134 WeakPolarHBondContact CG1-O 3.41Å; I89-T134 PolarHBondContact N-O 3Å; I89-S135 WeakPolarHBondContact O-CA 3.35Å; I89-F149 HydrophobicContact CD1-CB 4.48Å; I89-F149 HydrophobicContact CD1-CD1 3.93Å; I89-F149 HydrophobicContact CD1-CD2 3.95Å; I89-F149 HydrophobicContact CD1-CE1 4.13Å; I89-F149 HydrophobicContact CD1-CE2 4.16Å; I89-F149 HydrophobicContact CD1-CG 3.84Å; I89-F149 HydrophobicContact CD1-CZ 4.25Å; I89-F149 HydrophobicContact CG1-CZ 4.48Å
90	L	97.9	Very high	90.2	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	66.3	22.6	-179.3	-59.5	168.8	0	0	0	113.8	P111 E115 V136 R138 L141 H148	L90-P111 HydrophobicContact CD2-CB 3.84Å; L90-P111 HydrophobicContact CD2-CG 3.86Å; L90-E115 PolarHBondContact N-OE2 2.9Å; L90-V136 HydrophobicContact CB-CG2 4.18Å; L90-V136 WeakPolarHBondContact O-CG2 3.25Å; L90-R138 HydrophobicContact CB-CG 3.81Å; L90-R138 HydrophobicContact CD1-CG 3.81Å; L90-R138 HydrophobicContact CG-CG 4.28Å; L90-R138 PolarHBondContact O-NH1 2.78Å; L90-L141 HydrophobicContact CD2-CD1 4.38Å; L90-H148 HydrophobicContact CD1-CB 4.35Å; L90-H148 HydrophobicContact CD2-CB 3.63Å; L90-H148 VanDerWaalsContact CD2-CG 3.49Å; L90-H148 HydrophobicContact CG-CB 4.2Å
91	G	95.7	Very high	90.9	Very high	19 Å²	19	20.8 Å²	20.8	20%	0.196	11%	0.112	C	C	.	.			trans	83.1	-166.5	179.3	0	0	0	0	0	114.1	I89	I89-G91 PolarHBondContact O-N 3.47Å
92	A	94.9	Very high	91.6	Very high	4 Å²	4	19 Å²	19	3%	0.033	10%	0.102	C	C	.	.	S	Bend	trans	-121.1	23.4	-175.6	0	0	0	0	0	114.2	K12 H65 E70 M88	K12-A92 VanDerWaalsContact NZ-CB 3.32Å; H65-A92 HydrophobicContact CB-CB 4.41Å; H65-A92 WeakPolarHBondContact ND1-CB 3.46Å; E70-A92 HydrophobicContact CG-CB 4.15Å; E70-A92 WeakPolarHBondContact OE1-CB 3.47Å; M88-A92 HydrophobicContact CE-CB 3.74Å
93	I	96.2	Very high	92.5	Very high	14 Å²	14	14.1 Å²	14.1	7%	0.072	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.3	175.4	-63.6	169.1	0	0	0	107.6	G10 K12 G106 P108 V136	G10-I93 VanDerWaalsContact O-CD1 3.31Å; G10-I93 WeakPolarHBondContact O-CD1 3.49Å; K12-I93 HydrophobicContact CG-CD1 4.1Å; K12-I93 HydrophobicContact CG-CG1 3.67Å; I93-G106 VanDerWaalsContact CG2-C 3.42Å; I93-G106 VanDerWaalsContact CG2-CA 3.43Å; I93-P108 HydrophobicContact CB-CB 4.47Å; I93-P108 HydrophobicContact CB-CG 4.48Å; I93-P108 HydrophobicContact CG2-CG 4.2Å; I93-P108 WeakPolarHBondContact O-CG 3.24Å; I93-V136 WeakPolarHBondContact O-CG2 3.47Å
94	C	96.7	Very high	93.5	Very high	12 Å²	12	13.7 Å²	13.7	8%	0.081	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.6	-179.5	-170.5	0	0	0	0	111.4	R96 V103 A104 H105 G106 V136 D137	C94-R96 PolarHBondContact O-N 3.42Å; C94-R96 PolarHBondContact SG-N 2.93Å; C94-V103 HydrophobicContact CB-CG1 4.25Å; C94-A104 WeakPolarHBondContact CB-O 3.44Å; C94-A104 PolarHBondContact N-O 3.49Å; C94-H105 WeakPolarHBondContact O-CA 3.29Å; C94-H105 PolarHBondContact O-ND1 2.9Å; C94-G106 PolarHBondContact O-N 3.27Å; C94-V136 HydrophobicContact CB-CB 3.94Å; C94-V136 HydrophobicContact CB-CG1 4.09Å; C94-D137 PolarHBondContact SG-N 2.95Å; C94-D137 VanDerWaalsContact SG-N 3.38Å; C94-D137 PolarHBondContact SG-OD2 3.32Å
95	T	96.1	Very high	94.4	Very high	27 Å²	27	13.8 Å²	13.8	17%	0.166	8%	0.076	C	C	.	.	S	Bend	trans	-69.5	-14.5	171.6	56.7	0	0	0	0	112.5	H105 P108 D137 D139 D140	T95-H105 PolarHBondContact O-CE1 2.94Å; T95-H105 VanDerWaalsContact O-CE1 3.24Å; T95-P108 HydrophobicContact CG2-CG 3.7Å; T95-D137 WeakPolarHBondContact CB-O 3.48Å; T95-D137 WeakPolarHBondContact CG2-O 3.33Å; T95-D137 PolarHBondContact N-O 3.08Å; T95-D137 PolarHBondContact OG1-O 3.31Å; T95-D139 WeakPolarHBondContact OG1-CB 3.24Å; T95-D139 PolarHBondContact OG1-N 3.47Å; T95-D140 WeakPolarHBondContact CG2-OD1 3.47Å
96	R	94.9	Very high	95.1	Very high	11 Å²	11	13.9 Å²	13.9	4%	0.042	8%	0.077	C	C	.	.			trans	-109.1	174.3	174.6	-59.8	-166.7	-170.6	165.6	21.5	112	C94 H105 D137 D139 D171 G208	C94-R96 PolarHBondContact O-N 3.42Å; C94-R96 PolarHBondContact SG-N 2.93Å; R96-H105 PolarHBondContact O-ND1 3Å; R96-H105 VanDerWaalsContact O-ND1 3.09Å; R96-D137 HydrophobicContact CB-CB 4.18Å; R96-D137 WeakPolarHBondContact CD-OD2 3.38Å; R96-D137 HydrophobicContact CG-CB 3.73Å; R96-D137 IonicContact CZ-OD1 2.71Å; R96-D137 IonicContact NE-OD1 3.82Å; R96-D137 IonicContact NH1-OD1 3.72Å; R96-D137 IonicContact NH2-OD1 3.66Å; R96-D139 WeakPolarHBondContact CG-OD2 3.48Å; R96-D139 IonicContact CZ-OD1 3.6Å; R96-D139 IonicContact CZ-OD2 3.39Å; R96-D139 IonicContact NE-OD1 3.57Å; R96-D139 PolarHBondContact NE-OD1 3.27Å; R96-D139 IonicContact NE-OD2 2.74Å; R96-D139 PolarHBondContact NE-OD2 3.04Å; R96-D139 IonicContact NH2-OD1 3.84Å; R96-D139 PolarHBondContact NH2-OD1 3Å; R96-D139 IonicContact NH2-OD2 2.71Å; R96-D171 IonicContact CZ-OD1 2.67Å; R96-D171 VanDerWaalsContact CZ-OD1 3.27Å; R96-D171 IonicContact CZ-OD2 2.75Å; R96-D171 IonicContact NH1-OD1 2.83Å; R96-D171 PolarHBondContact NH1-OD1 3.26Å; R96-D171 IonicContact NH1-OD2 3.9Å; R96-D171 PolarHBondContact NH1-OD2 2.92Å; R96-D171 IonicContact NH2-OD1 2.72Å; R96-D171 PolarHBondContact NH2-OD1 3.48Å; R96-D171 IonicContact NH2-OD2 3.48Å; R96-G208 PolarHBondContact NH1-O 3.18Å
97	R	93.1	Very high	95.3	Very high	77 Å²	77	19.7 Å²	19.7	29%	0.291	10%	0.099	S	C	.	.			trans	-150.1	54.3	-167	55.4	-169.4	-171.9	-74.8	2.9	111.4	K18 L21 I22 P99 H105	K18-R97 HydrophobicContact CG-CB 4.31Å; L21-R97 PolarHBondContact O-NE 3.01Å; L21-R97 PolarHBondContact O-NH2 2.93Å; I22-R97 HydrophobicContact CB-CG 4.47Å; I22-R97 HydrophobicContact CG2-CB 3.87Å; I22-R97 HydrophobicContact CG2-CG 3.77Å; I22-R97 WeakPolarHBondContact CG2-O 3.41Å; R97-P99 WeakPolarHBondContact O-CD 3.46Å; R97-H105 HydrophobicContact CB-CB 4.24Å
98	C	95.2	Very high	95.4	Very high	16 Å²	16	20 Å²	20	11%	0.108	10%	0.101	C	C	.	.			trans	-57.2	124.1	174.7	-61.2	0	0	0	0	109.6	F100 C101	C98-F100 HydrophobicContact CB-CD1 3.84Å; C98-F100 HydrophobicContact CB-CE1 3.51Å; C98-F100 HydrophobicContact CB-CZ 4.15Å; C98-F100 PolarHBondContact O-N 2.94Å; C98-F100 VanDerWaalsContact O-N 3.17Å; C98-C101 HydrophobicContact CB-CB 4.06Å; C98-C101 PolarHBondContact O-N 3.23Å; C98-C101 VanDerWaalsContact O-N 3.08Å
99	P	94.2	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-4.4	-171.7	-23	36.1	0	0	0	116.3	M19 I22 N26 R97 V205 P207 H272 L273	M19-P99 HydrophobicContact SD-CB 4.09Å; I22-P99 HydrophobicContact CD1-CB 4.03Å; I22-P99 HydrophobicContact CD1-CG 3.77Å; I22-P99 HydrophobicContact CG2-CG 4.47Å; N26-P99 VanDerWaalsContact ND2-CB 3.29Å; N26-P99 WeakPolarHBondContact ND2-CB 3.4Å; R97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-V205 VanDerWaalsContact CD-O 3.26Å; P99-V205 WeakPolarHBondContact CD-O 3.28Å; P99-P207 HydrophobicContact CG-CG 4.4Å; P99-H272 WeakPolarHBondContact O-CA 3.49Å; P99-H272 VanDerWaalsContact O-CB 3.29Å; P99-H272 WeakPolarHBondContact O-CB 3.45Å; P99-H272 PolarHBondContact O-CD2 3.4Å; P99-L273 HydrophobicContact CB-CD1 3.98Å; P99-L273 HydrophobicContact CB-CD2 4.43Å; P99-L273 HydrophobicContact CB-CG 3.82Å; P99-L273 PolarHBondContact O-N 2.9Å; P99-L273 VanDerWaalsContact O-N 3.08Å
100	F	94.3	Very high	95.3	Very high	29 Å²	29	27.5 Å²	27.5	13%	0.127	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-17.7	170.5	72.9	-94.3	0	0	0	113.2	C98 E196 V205 R206 M235 Y265 P268 L273	C98-F100 HydrophobicContact CB-CD1 3.84Å; C98-F100 HydrophobicContact CB-CE1 3.51Å; C98-F100 HydrophobicContact CB-CZ 4.15Å; C98-F100 PolarHBondContact O-N 2.94Å; C98-F100 VanDerWaalsContact O-N 3.17Å; F100-E196 HydrophobicContact CE1-CG 4.28Å; F100-E196 HydrophobicContact CZ-CB 4.45Å; F100-E196 HydrophobicContact CZ-CG 3.86Å; F100-V205 HydrophobicContact CD1-CG1 3.49Å; F100-V205 VanDerWaalsContact CD1-CG1 3.49Å; F100-V205 VanDerWaalsContact CD1-O 3.31Å; F100-V205 WeakPolarHBondContact CD1-O 3.44Å; F100-V205 HydrophobicContact CE1-CG1 3.95Å; F100-V205 HydrophobicContact CG-CG1 4.33Å; F100-R206 HydrophobicContact CE1-CG 3.91Å; F100-M235 HydrophobicContact CD1-CE 4.17Å; F100-M235 HydrophobicContact CD2-CE 3.31Å; F100-M235 HydrophobicContact CD2-SD 3.95Å; F100-M235 HydrophobicContact CE1-CE 4.17Å; F100-M235 HydrophobicContact CE2-CE 3.34Å; F100-M235 HydrophobicContact CE2-SD 4.22Å; F100-M235 HydrophobicContact CG-CE 3.76Å; F100-M235 HydrophobicContact CZ-CE 3.79Å; F100-Y265 HydrophobicContact CB-CD2 4.18Å; F100-Y265 HydrophobicContact CB-CE2 3.65Å; F100-P268 WeakPolarHBondContact O-CG 3.41Å; F100-L273 HydrophobicContact CB-CD1 4.5Å
101	C	95	Very high	95.2	Very high	34 Å²	34	29.3 Å²	29.3	23%	0.23	17%	0.167	C	C	.	.			trans	-96.3	137.4	-166.8	177.2	0	0	0	0	110.7	K18 C98 H272	K18-C101 PolarHBondContact NZ-O 3.27Å; C98-C101 HydrophobicContact CB-CB 4.06Å; C98-C101 PolarHBondContact O-N 3.23Å; C98-C101 VanDerWaalsContact O-N 3.08Å; C101-H272 PolarHBondContact O-CD2 2.86Å; C101-H272 PolarHBondContact O-NE2 2.75Å; C101-H272 VanDerWaalsContact O-NE2 3.13Å
102	D	94	Very high	95.3	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	18%	0.175	C	C	.	.			trans	-91.6	-7.3	-178	-168.3	31.3	0	0	0	113.9	R14 S72 A104 P268 H272	R14-D102 PolarHBondContact NH1-O 3.01Å; S72-D102 WeakPolarHBondContact CB-OD2 3.34Å; S72-D102 PolarHBondContact OG-OD2 3.43Å; D102-A104 PolarHBondContact O-N 2.95Å; D102-P268 HydrophobicContact CB-CB 3.58Å; D102-P268 HydrophobicContact CB-CG 3.76Å; D102-H272 IonicContact OD1-CE1 3.59Å
103	V	94.2	Very high	95.4	Very high	10 Å²	10	35.6 Å²	35.6	6%	0.061	21%	0.208	C	C	.	.	S	Bend	trans	-62.4	135.1	175.6	178.8	0	0	0	0	109.9	K18 A71 M88 C94 V136	K18-V103 WeakPolarHBondContact CE-O 3.41Å; K18-V103 PolarHBondContact NZ-O 3.24Å; A71-V103 HydrophobicContact CB-CG2 4.32Å; M88-V103 HydrophobicContact CE-CG1 4.41Å; M88-V103 HydrophobicContact SD-CG1 4.31Å; M88-V103 HydrophobicContact SD-CG2 4.16Å; C94-V103 HydrophobicContact CB-CG1 4.25Å; V103-V136 HydrophobicContact CG1-CG1 3.77Å
104	A	94.4	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	144.3	-176.4	0	0	0	0	0	112.2	K12 Y13 R14 C94 D102	K12-A104 HydrophobicContact CB-CB 3.61Å; K12-A104 HydrophobicContact CD-CB 4.28Å; K12-A104 HydrophobicContact CG-CB 3.86Å; Y13-A104 CarbonylContact O-C 3.6Å; Y13-A104 VanDerWaalsContact O-CA 3.31Å; Y13-A104 WeakPolarHBondContact O-CA 3.29Å; R14-A104 HydrophobicContact CG-CB 3.87Å; C94-A104 WeakPolarHBondContact CB-O 3.44Å; C94-A104 PolarHBondContact N-O 3.49Å; D102-A104 PolarHBondContact O-N 2.95Å
105	H	94.7	Very high	95.5	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	157.9	168.6	179.3	54.1	0	0	0	110.3	M7 Y13 K18 C94 T95 R96 R97	M7-H105 PolarHBondContact SD-NE2 3.5Å; M7-H105 VanDerWaalsContact SD-NE2 3.41Å; Y13-H105 WeakPolarHBondContact CB-O 3.44Å; Y13-H105 WeakPolarHBondContact CD2-O 3.4Å; Y13-H105 PolarHBondContact N-O 3.31Å; Y13-H105 PolarHBondContact O-N 3.36Å; K18-H105 HydrophobicContact CB-CB 4.46Å; K18-H105 HydrophobicContact CD-CB 4.17Å; K18-H105 HydrophobicContact CG-CB 3.68Å; C94-H105 WeakPolarHBondContact O-CA 3.29Å; C94-H105 PolarHBondContact O-ND1 2.9Å; T95-H105 PolarHBondContact O-CE1 2.94Å; T95-H105 VanDerWaalsContact O-CE1 3.24Å; R96-H105 PolarHBondContact O-ND1 3Å; R96-H105 VanDerWaalsContact O-ND1 3.09Å; R97-H105 HydrophobicContact CB-CB 4.24Å
106	G	94.7	Very high	95.6	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	22%	0.222	C	C	.	.	S	Bend	trans	160.4	-163.5	172.4	0	0	0	0	0	112.7	I93 C94 P108	I93-G106 VanDerWaalsContact CG2-C 3.42Å; I93-G106 VanDerWaalsContact CG2-CA 3.43Å; C94-G106 PolarHBondContact O-N 3.27Å; G106-P108 WeakPolarHBondContact O-CD 3.4Å
107	R	95.3	Very high	95.8	Very high	126 Å²	126	42 Å²	42	48%	0.475	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-96.3	109.5	170.8	-67.4	-176.7	82.5	-174.7	6	109	M7 R9 G10	M7-R107 HydrophobicContact CB-CG 4Å; M7-R107 WeakPolarHBondContact O-CD 3.34Å; R9-R107 CarbonylContact C-O 3.51Å; R9-R107 WeakPolarHBondContact CA-O 3.46Å; R9-R107 HydrophobicContact CB-CB 4.45Å; G10-R107 PolarHBondContact N-O 3.21Å
108	P	96.6	Very high	96	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-65.4	157.5	-177.8	-17.2	30.3	0	0	0	112.3	R9 I93 T95 G106	R9-P108 WeakPolarHBondContact CG-O 3.49Å; R9-P108 PolarHBondContact NH1-O 3.24Å; I93-P108 HydrophobicContact CB-CB 4.47Å; I93-P108 HydrophobicContact CB-CG 4.48Å; I93-P108 HydrophobicContact CG2-CG 4.2Å; I93-P108 WeakPolarHBondContact O-CG 3.24Å; T95-P108 HydrophobicContact CG2-CG 3.7Å; G106-P108 WeakPolarHBondContact O-CD 3.4Å
109	V	95.7	Very high	96.1	Very high	84 Å²	84	40.9 Å²	40.9	51%	0.509	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-76.1	170.3	163.7	-65.7	0	0	0	0	110.4	R9 R138	R9-V109 HydrophobicContact CG-CG1 4.26Å; V109-R138 PolarHBondContact O-NH1 3.03Å; V109-R138 PolarHBondContact O-NH2 3.44Å
110	A	96.6	Very high	96.2	Very high	80 Å²	80	40.9 Å²	40.9	66%	0.661	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-59	142.7	172.2	0	0	0	0	0	109.9	D112	A110-D112 PolarHBondContact O-N 2.94Å
111	P	97.1	Very high	96.3	Very high	42 Å²	42	43 Å²	43	27%	0.273	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-53	139.7	171.1	-23.4	34.1	0	0	0	111.1	L90 A113 L141	L90-P111 HydrophobicContact CD2-CB 3.84Å; L90-P111 HydrophobicContact CD2-CG 3.86Å; P111-A113 PolarHBondContact O-N 3.42Å; P111-L141 HydrophobicContact CG-CD1 3.91Å; P111-L141 HydrophobicContact CG-CD2 4.29Å
112	D	97.1	Very high	96.2	Very high	67 Å²	67	41.4 Å²	41.4	36%	0.358	24%	0.239	S	C	.	.			trans	-75	115.3	171.7	176.4	5.8	0	0	0	108.8	A110 N114 E115 K118 H148	A110-D112 PolarHBondContact O-N 2.94Å; D112-N114 PolarHBondContact O-N 3.44Å; D112-N114 VanDerWaalsContact O-N 3.11Å; D112-N114 PolarHBondContact OD1-N 3.1Å; D112-E115 HydrophobicContact CB-CB 4.16Å; D112-E115 VanDerWaalsContact O-CB 3.28Å; D112-E115 WeakPolarHBondContact O-CB 3.46Å; D112-E115 PolarHBondContact O-N 3.23Å; D112-K118 IonicContact OD2-NZ 3.76Å; D112-K118 PolarHBondContact OD2-NZ 2.94Å; D112-H148 PolarHBondContact O-CE1 3.33Å
113	A	97.1	Very high	96.1	Very high	88 Å²	88	40.8 Å²	40.8	73%	0.727	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.8	179.7	0	0	0	0	0	113.2	P111	P111-A113 PolarHBondContact O-N 3.42Å
114	N	97.7	Very high	96.1	Very high	97 Å²	97	41.9 Å²	41.9	52%	0.519	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.5	177	-67.4	-52.4	0	0	0	113.6	D112 P116 V117 K118	D112-N114 PolarHBondContact O-N 3.44Å; D112-N114 VanDerWaalsContact O-N 3.11Å; D112-N114 PolarHBondContact OD1-N 3.1Å; N114-P116 VanDerWaalsContact C-N 3.34Å; N114-V117 PolarHBondContact O-N 2.92Å; N114-K118 WeakPolarHBondContact O-CG 3.37Å; N114-K118 PolarHBondContact O-N 2.82Å
115	E	98.2	Very high	95.9	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-53.6	-43.3	178.9	-179.2	173.1	-120.9	0	0	112.4	L64 I89 L90 D112 V117 K118 L119 H148	L64-E115 HydrophobicContact CD2-CG 4.06Å; I89-E115 WeakPolarHBondContact CB-OE2 3.41Å; I89-E115 HydrophobicContact CG2-CG 4.45Å; L90-E115 PolarHBondContact N-OE2 2.9Å; D112-E115 HydrophobicContact CB-CB 4.16Å; D112-E115 VanDerWaalsContact O-CB 3.28Å; D112-E115 WeakPolarHBondContact O-CB 3.46Å; D112-E115 PolarHBondContact O-N 3.23Å; E115-V117 PolarHBondContact O-N 3.23Å; E115-K118 PolarHBondContact O-N 3.24Å; E115-L119 WeakPolarHBondContact O-CB 3.45Å; E115-L119 PolarHBondContact O-N 2.67Å; E115-H148 IonicContact OE2-CD2 2.58Å; E115-H148 PolarHBondContact OE2-CD2 3.48Å; E115-H148 IonicContact OE2-NE2 3.87Å; E115-H148 PolarHBondContact OE2-NE2 3.19Å
116	P	98.5	Very high	95.4	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-45.9	175.9	-28.7	37.3	0	0	0	114	N114 L119 A120 D151 A155	N114-P116 VanDerWaalsContact C-N 3.34Å; P116-L119 PolarHBondContact O-N 3.4Å; P116-A120 WeakPolarHBondContact O-CB 3.23Å; P116-A120 PolarHBondContact O-N 2.86Å; P116-D151 HydrophobicContact CB-CB 4.22Å; P116-D151 HydrophobicContact CG-CB 3.79Å; P116-A155 HydrophobicContact CB-CB 4.06Å
117	V	98.1	Very high	95	Very high	81 Å²	81	52.1 Å²	52.1	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-43	-178.7	178.2	0	0	0	0	110.9	N114 E115 L119 A120 Q121	N114-V117 PolarHBondContact O-N 2.92Å; E115-V117 PolarHBondContact O-N 3.23Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-A120 PolarHBondContact O-N 2.97Å; V117-Q121 WeakPolarHBondContact O-CB 3.3Å; V117-Q121 PolarHBondContact O-N 2.9Å
118	K	97.4	Very high	94.5	Very high	69 Å²	69	46.8 Å²	46.8	30%	0.3	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-42.1	176.5	-68.6	175.2	-171.9	173.7	0	111.5	N62 L64 D112 N114 E115 T122	N62-K118 HydrophobicContact CB-CB 4.45Å; N62-K118 WeakPolarHBondContact O-CD 3.33Å; L64-K118 HydrophobicContact CD2-CB 4.34Å; D112-K118 IonicContact OD2-NZ 3.76Å; D112-K118 PolarHBondContact OD2-NZ 2.94Å; N114-K118 WeakPolarHBondContact O-CG 3.37Å; N114-K118 PolarHBondContact O-N 2.82Å; E115-K118 PolarHBondContact O-N 3.24Å; K118-T122 WeakPolarHBondContact O-CB 3.14Å; K118-T122 PolarHBondContact O-N 3.42Å; K118-T122 PolarHBondContact O-OG1 3.35Å
119	L	97.1	Very high	93.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-52.2	176.2	177.2	61.9	0	0	0	110.7	L64 F87 I89 E115 P116 V117 Q121 T122 I123 I133 C152 I156	L64-L119 HydrophobicContact CD1-CD1 4.3Å; L64-L119 HydrophobicContact CD2-CB 4.2Å; F87-L119 HydrophobicContact CB-CD1 3.57Å; F87-L119 HydrophobicContact CD1-CD1 3.47Å; F87-L119 VanDerWaalsContact CD1-CD1 3.47Å; F87-L119 HydrophobicContact CD2-CD1 3.74Å; F87-L119 HydrophobicContact CE1-CD1 4.03Å; F87-L119 HydrophobicContact CE2-CD1 4.27Å; F87-L119 HydrophobicContact CG-CD1 3.3Å; F87-L119 HydrophobicContact CZ-CD1 4.4Å; I89-L119 HydrophobicContact CG2-CD2 3.76Å; E115-L119 WeakPolarHBondContact O-CB 3.45Å; E115-L119 PolarHBondContact O-N 2.67Å; P116-L119 PolarHBondContact O-N 3.4Å; V117-L119 VanDerWaalsContact C-N 3.35Å; L119-Q121 VanDerWaalsContact C-N 3.33Å; L119-Q121 PolarHBondContact O-N 3.43Å; L119-T122 PolarHBondContact O-N 3.08Å; L119-T122 VanDerWaalsContact O-N 3.16Å; L119-I123 HydrophobicContact CD1-CD1 3.67Å; L119-I123 HydrophobicContact CD1-CG1 4.2Å; L119-I123 HydrophobicContact CD2-CD1 4.5Å; L119-I123 HydrophobicContact CG-CD1 3.7Å; L119-I123 WeakPolarHBondContact O-CG1 3.43Å; L119-I123 PolarHBondContact O-N 3.05Å; L119-I133 HydrophobicContact CD2-CD1 4.43Å; L119-I133 HydrophobicContact CD2-CG2 4.49Å; L119-C152 HydrophobicContact CD2-CB 4Å; L119-I156 HydrophobicContact CD2-CD1 3.9Å; L119-I156 HydrophobicContact CG-CD1 4.13Å
120	A	97	Very high	93.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-42.8	179	0	0	0	0	0	112.5	P116 V117 I123 A124 A155 I156 K159	P116-A120 WeakPolarHBondContact O-CB 3.23Å; P116-A120 PolarHBondContact O-N 2.86Å; V117-A120 PolarHBondContact O-N 2.97Å; A120-I123 PolarHBondContact O-N 3.46Å; A120-A124 WeakPolarHBondContact O-CB 3.37Å; A120-A124 PolarHBondContact O-N 2.69Å; A120-A155 VanDerWaalsContact CB-C 3.4Å; A120-A155 HydrophobicContact CB-CB 3.86Å; A120-A155 VanDerWaalsContact CB-O 3.23Å; A120-A155 WeakPolarHBondContact CB-O 3.19Å; A120-I156 HydrophobicContact CB-CG1 4Å; A120-K159 HydrophobicContact CB-CB 4.4Å; A120-K159 HydrophobicContact CB-CD 3.84Å; A120-K159 HydrophobicContact CB-CG 4.34Å
121	Q	95.9	Very high	93.2	Very high	72 Å²	72	48 Å²	48	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-44.7	175.6	-172.5	62	53.8	0	0	111.5	V117 L119 I123 A124 D125 K159	V117-Q121 WeakPolarHBondContact O-CB 3.3Å; V117-Q121 PolarHBondContact O-N 2.9Å; L119-Q121 VanDerWaalsContact C-N 3.33Å; L119-Q121 PolarHBondContact O-N 3.43Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 3.22Å; Q121-A124 PolarHBondContact O-N 3.13Å; Q121-D125 PolarHBondContact NE2-OD1 3.34Å; Q121-D125 WeakPolarHBondContact O-CB 3.33Å; Q121-D125 PolarHBondContact O-N 3.26Å; Q121-K159 HydrophobicContact CB-CD 4.3Å; Q121-K159 VanDerWaalsContact OE1-CE 3.29Å
122	T	93.3	Very high	93.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-42.5	179.4	-56.9	0	0	0	0	111.6	A58 N62 L64 F87 K118 L119 D125 M126	A58-T122 HydrophobicContact CB-CG2 4.32Å; N62-T122 PolarHBondContact ND2-OG1 3.15Å; L64-T122 HydrophobicContact CD1-CG2 4.04Å; L64-T122 VanDerWaalsContact CD1-OG1 3.25Å; L64-T122 WeakPolarHBondContact CD1-OG1 3.09Å; F87-T122 HydrophobicContact CE1-CG2 4.2Å; F87-T122 HydrophobicContact CZ-CG2 4.34Å; K118-T122 WeakPolarHBondContact O-CB 3.14Å; K118-T122 PolarHBondContact O-N 3.42Å; K118-T122 PolarHBondContact O-OG1 3.35Å; L119-T122 PolarHBondContact O-N 3.08Å; L119-T122 VanDerWaalsContact O-N 3.16Å; T122-D125 PolarHBondContact O-N 3.48Å; T122-M126 HydrophobicContact CG2-SD 3.8Å; T122-M126 WeakPolarHBondContact O-CB 3.28Å; T122-M126 VanDerWaalsContact O-CG 3.23Å; T122-M126 WeakPolarHBondContact O-CG 3.26Å; T122-M126 PolarHBondContact O-N 2.92Å
123	I	92.4	Very high	93.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-43.5	177.5	-73.2	163.5	0	0	0	111.1	F87 L119 A120 Q121 M126 A127 L128 V131 I156 I163	F87-I123 HydrophobicContact CD2-CD1 4.32Å; F87-I123 HydrophobicContact CD2-CG1 4.28Å; F87-I123 HydrophobicContact CE2-CD1 4.19Å; F87-I123 HydrophobicContact CE2-CG1 3.66Å; F87-I123 HydrophobicContact CZ-CG1 4.05Å; L119-I123 HydrophobicContact CD1-CD1 3.67Å; L119-I123 HydrophobicContact CD1-CG1 4.2Å; L119-I123 HydrophobicContact CD2-CD1 4.5Å; L119-I123 HydrophobicContact CG-CD1 3.7Å; L119-I123 WeakPolarHBondContact O-CG1 3.43Å; L119-I123 PolarHBondContact O-N 3.05Å; A120-I123 PolarHBondContact O-N 3.46Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 3.22Å; I123-M126 PolarHBondContact O-N 2.87Å; I123-A127 PolarHBondContact O-N 3.49Å; I123-L128 HydrophobicContact CG1-CD1 4.27Å; I123-L128 HydrophobicContact CG2-CB 4.33Å; I123-L128 HydrophobicContact CG2-CD1 4.39Å; I123-L128 PolarHBondContact O-N 2.83Å; I123-V131 HydrophobicContact CD1-CB 4.31Å; I123-V131 HydrophobicContact CD1-CG1 4.27Å; I123-V131 HydrophobicContact CD1-CG2 3.74Å; I123-V131 HydrophobicContact CG1-CG2 4.2Å; I123-I156 HydrophobicContact CD1-CD1 3.47Å; I123-I156 VanDerWaalsContact CD1-CD1 3.47Å; I123-I156 HydrophobicContact CD1-CG1 3.69Å; I123-I156 HydrophobicContact CD1-CG2 4.48Å; I123-I163 HydrophobicContact CG2-CD1 3.25Å
124	A	92.6	Very high	93.2	Very high	32 Å²	32	39.3 Å²	39.3	26%	0.264	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-46	176.6	0	0	0	0	0	111.5	A120 Q121 M126 A127 K159	A120-A124 WeakPolarHBondContact O-CB 3.37Å; A120-A124 PolarHBondContact O-N 2.69Å; Q121-A124 PolarHBondContact O-N 3.13Å; A124-M126 PolarHBondContact O-N 2.8Å; A124-A127 PolarHBondContact O-N 3.08Å; A124-K159 HydrophobicContact CB-CB 4.36Å
125	D	90.2	Very high	93.2	Very high	112 Å²	112	35.4 Å²	35.4	60%	0.599	19%	0.189	S	C	*	.	H	α-helix	trans	-61.4	-34	177.6	-66.8	-14.1	0	0	0	112	Q121 T122 A127	Q121-D125 PolarHBondContact NE2-OD1 3.34Å; Q121-D125 WeakPolarHBondContact O-CB 3.33Å; Q121-D125 PolarHBondContact O-N 3.26Å; T122-D125 PolarHBondContact O-N 3.48Å; D125-A127 VanDerWaalsContact C-N 3.29Å
126	M	85.3	Confident	93.2	Very high	32 Å²	32	35.2 Å²	35.2	16%	0.158	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.6	177.1	-72.4	175.3	52.7	0	0	113.7	I55 A85 F87 T122 I123 A124 L128	I55-M126 HydrophobicContact CB-CE 4.22Å; I55-M126 HydrophobicContact CD1-CE 3.73Å; I55-M126 HydrophobicContact CG1-CE 3.56Å; I55-M126 HydrophobicContact CG1-SD 4.32Å; I55-M126 HydrophobicContact CG2-CE 3.74Å; I55-M126 HydrophobicContact CG2-SD 4.25Å; A85-M126 HydrophobicContact CB-CE 4.21Å; F87-M126 HydrophobicContact CZ-CE 4.42Å; F87-M126 HydrophobicContact CZ-SD 4.16Å; T122-M126 HydrophobicContact CG2-SD 3.8Å; T122-M126 WeakPolarHBondContact O-CB 3.28Å; T122-M126 VanDerWaalsContact O-CG 3.23Å; T122-M126 WeakPolarHBondContact O-CG 3.26Å; T122-M126 PolarHBondContact O-N 2.92Å; I123-M126 PolarHBondContact O-N 2.87Å; A124-M126 PolarHBondContact O-N 2.8Å; M126-L128 HydrophobicContact CB-CD1 4.48Å; M126-L128 HydrophobicContact CB-CD2 3.98Å; M126-L128 HydrophobicContact CB-CG 3.84Å; M126-L128 HydrophobicContact CE-CD1 4.04Å; M126-L128 HydrophobicContact CE-CD2 3.84Å; M126-L128 HydrophobicContact CE-CG 4.23Å; M126-L128 PolarHBondContact O-N 3.49Å
127	A	86.5	Confident	93.2	Very high	82 Å²	82	36 Å²	36	68%	0.678	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	42.1	-177.3	0	0	0	0	0	113.3	I123 A124 D125	I123-A127 PolarHBondContact O-N 3.49Å; A124-A127 PolarHBondContact O-N 3.08Å; D125-A127 VanDerWaalsContact C-N 3.29Å
128	L	84.2	Confident	93.2	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.068	17%	0.17	C	C	.	.			trans	-71.4	142.9	178.5	-54	-180	0	0	0	110.7	G83 A85 F87 I123 M126 I163	G83-L128 WeakPolarHBondContact O-CD2 3.36Å; A85-L128 HydrophobicContact CB-CD1 4.31Å; F87-L128 HydrophobicContact CE2-CD1 3.97Å; F87-L128 HydrophobicContact CZ-CD1 4.47Å; I123-L128 HydrophobicContact CG1-CD1 4.27Å; I123-L128 HydrophobicContact CG2-CB 4.33Å; I123-L128 HydrophobicContact CG2-CD1 4.39Å; I123-L128 PolarHBondContact O-N 2.83Å; M126-L128 HydrophobicContact CB-CD1 4.48Å; M126-L128 HydrophobicContact CB-CD2 3.98Å; M126-L128 HydrophobicContact CB-CG 3.84Å; M126-L128 HydrophobicContact CE-CD1 4.04Å; M126-L128 HydrophobicContact CE-CD2 3.84Å; M126-L128 HydrophobicContact CE-CG 4.23Å; M126-L128 PolarHBondContact O-N 3.49Å; L128-I163 HydrophobicContact CB-CD1 4.17Å; L128-I163 WeakPolarHBondContact O-CD1 3.38Å
129	R	81	Confident	93.2	Very high	185 Å²	185	30.3 Å²	30.3	70%	0.698	16%	0.162	S	C	*	.	S	Bend	trans	-97.5	-19.3	173.8	-64.2	-171.9	-61.5	-103.4	-3	113.3	I163 K164	R129-I163 WeakPolarHBondContact O-CG1 3.34Å; R129-K164 PolarHBondContact O-N 2.98Å; R129-K164 VanDerWaalsContact O-N 3.08Å
130	Y	89	Confident	93.2	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.5	178.4	-163.4	-81.1	0	0	0	108.3	V132 K164 E166 A311 D312 A315	Y130-V132 HydrophobicContact CD1-CG2 4.3Å; Y130-V132 HydrophobicContact CE1-CG2 3.86Å; Y130-K164 CarbonylContact C-O 3.25Å; Y130-K164 WeakPolarHBondContact CA-O 3.42Å; Y130-K164 HydrophobicContact CD2-CB 3.5Å; Y130-K164 HydrophobicContact CD2-CG 4.5Å; Y130-K164 HydrophobicContact CE2-CB 3.87Å; Y130-K164 HydrophobicContact CG-CB 4.34Å; Y130-E166 HydrophobicContact CE1-CB 3.76Å; Y130-E166 WeakPolarHBondContact OH-CB 3.47Å; Y130-E166 PolarHBondContact OH-OE2 2.76Å; Y130-A311 HydrophobicContact CD1-CB 4Å; Y130-A311 HydrophobicContact CE1-CB 3.45Å; Y130-A311 VanDerWaalsContact CE1-CB 3.45Å; Y130-D312 HydrophobicContact CD1-CB 4.42Å; Y130-D312 HydrophobicContact CD2-CB 4.16Å; Y130-D312 HydrophobicContact CG-CB 3.83Å; Y130-A315 HydrophobicContact CD2-CB 4.4Å; Y130-A315 HydrophobicContact CE2-CB 3.49Å; Y130-A315 VanDerWaalsContact CE2-CB 3.49Å
131	V	92.7	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138	175.5	65.6	0	0	0	0	110.4	F87 I123 I133 I156 I163 K164 I165 E166	F87-V131 HydrophobicContact CD2-CG2 3.58Å; F87-V131 HydrophobicContact CE2-CG2 3.86Å; I123-V131 HydrophobicContact CD1-CB 4.31Å; I123-V131 HydrophobicContact CD1-CG1 4.27Å; I123-V131 HydrophobicContact CD1-CG2 3.74Å; I123-V131 HydrophobicContact CG1-CG2 4.2Å; V131-I133 HydrophobicContact CG2-CG1 4.38Å; V131-I156 HydrophobicContact CG1-CG2 4.48Å; V131-I163 HydrophobicContact CB-CD1 4.02Å; V131-I163 HydrophobicContact CG1-CD1 3.81Å; V131-I163 HydrophobicContact CG1-CG1 4.43Å; V131-K164 PolarHBondContact N-O 2.9Å; V131-I165 HydrophobicContact CG1-CB 4.38Å; V131-I165 HydrophobicContact CG1-CG1 3.99Å; V131-I165 HydrophobicContact CG1-CG2 4.27Å; V131-E166 PolarHBondContact O-N 2.69Å
132	V	95.5	Very high	93.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.6	166.9	-174.6	0	0	0	0	108.3	A85 T86 F87 Y130 E166 L168 A311	A85-V132 PolarHBondContact O-N 2.85Å; T86-V132 CarbonylContact C-O 3.52Å; T86-V132 VanDerWaalsContact CA-O 3.28Å; T86-V132 WeakPolarHBondContact CA-O 3.43Å; T86-V132 HydrophobicContact CG2-CB 3.85Å; T86-V132 HydrophobicContact CG2-CG1 3.75Å; F87-V132 PolarHBondContact N-O 3.28Å; Y130-V132 HydrophobicContact CD1-CG2 4.3Å; Y130-V132 HydrophobicContact CE1-CG2 3.86Å; V132-E166 CarbonylContact C-O 3.38Å; V132-E166 VanDerWaalsContact CA-O 3.29Å; V132-E166 WeakPolarHBondContact CA-O 3.43Å; V132-E166 HydrophobicContact CG1-CG 4.3Å; V132-E166 HydrophobicContact CG2-CB 4.16Å; V132-E166 HydrophobicContact CG2-CG 4.44Å; V132-L168 HydrophobicContact CG1-CB 4.48Å; V132-A311 HydrophobicContact CG2-CB 3.6Å
133	I	97.1	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.9	173.6	-49.3	171.3	0	0	0	107.5	I89 L119 V131 F149 C152 I156 I165 E166 T167 L168	I89-I133 HydrophobicContact CD1-CG2 4Å; I89-I133 HydrophobicContact CG1-CG2 4.03Å; I89-I133 HydrophobicContact CG2-CG2 3.84Å; L119-I133 HydrophobicContact CD2-CD1 4.43Å; L119-I133 HydrophobicContact CD2-CG2 4.49Å; V131-I133 HydrophobicContact CG2-CG1 4.38Å; I133-F149 HydrophobicContact CG2-CD1 4.15Å; I133-F149 HydrophobicContact CG2-CE1 4.09Å; I133-C152 HydrophobicContact CD1-CB 4.26Å; I133-I156 HydrophobicContact CD1-CD1 3.31Å; I133-I156 HydrophobicContact CG1-CD1 4.2Å; I133-I165 HydrophobicContact CD1-CG2 3.74Å; I133-I165 HydrophobicContact CG1-CG2 4.29Å; I133-E166 PolarHBondContact N-O 3.21Å; I133-T167 CarbonylContact O-C 3.57Å; I133-T167 VanDerWaalsContact O-CA 3.29Å; I133-T167 WeakPolarHBondContact O-CA 3.3Å; I133-L168 PolarHBondContact O-N 2.83Å
134	T	97.9	Very high	93.7	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	174.4	172.9	-165.5	0	0	0	0	109.8	V67 T86 F87 M88 I89 L168	V67-T134 HydrophobicContact CB-CG2 4.03Å; V67-T134 HydrophobicContact CG1-CG2 4.16Å; T86-T134 HydrophobicContact CG2-CG2 3.96Å; F87-T134 PolarHBondContact O-N 2.73Å; M88-T134 CarbonylContact C-O 3.5Å; M88-T134 VanDerWaalsContact CA-O 3.29Å; M88-T134 WeakPolarHBondContact CA-O 3.42Å; M88-T134 HydrophobicContact CB-CG2 4.14Å; M88-T134 HydrophobicContact CG-CG2 4.24Å; I89-T134 VanDerWaalsContact CG1-O 3.26Å; I89-T134 WeakPolarHBondContact CG1-O 3.41Å; I89-T134 PolarHBondContact N-O 3Å; T134-L168 VanDerWaalsContact CA-O 3.28Å; T134-L168 WeakPolarHBondContact CA-O 3.5Å; T134-L168 WeakPolarHBondContact CB-O 3.45Å; T134-L168 PolarHBondContact OG1-O 3.41Å
135	S	98.2	Very high	94	Very high	16 Å²	16	41.7 Å²	41.7	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	166.4	175.3	77.2	0	0	0	0	111.4	I89 F149	I89-S135 WeakPolarHBondContact O-CA 3.35Å; S135-F149 VanDerWaalsContact OG-CE2 3.25Å; S135-F149 WeakPolarHBondContact OG-CE2 3.36Å; S135-F149 WeakPolarHBondContact OG-CZ 3.41Å
136	V	97.5	Very high	94.4	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	18%	0.177	C	C	.	.			trans	-69.3	160.9	155.8	-63.9	0	0	0	0	111.1	M88 L90 I93 C94 V103 R138	M88-V136 HydrophobicContact CE-CG1 4.23Å; M88-V136 HydrophobicContact CG-CG1 4.4Å; M88-V136 HydrophobicContact SD-CG1 3.75Å; L90-V136 HydrophobicContact CB-CG2 4.18Å; L90-V136 WeakPolarHBondContact O-CG2 3.25Å; I93-V136 WeakPolarHBondContact O-CG2 3.47Å; C94-V136 HydrophobicContact CB-CB 3.94Å; C94-V136 HydrophobicContact CB-CG1 4.09Å; V103-V136 HydrophobicContact CG1-CG1 3.77Å; V136-R138 HydrophobicContact CG2-CG 4.18Å; V136-R138 PolarHBondContact O-N 3.01Å
137	D	98.3	Very high	95.1	Very high	27 Å²	27	38.9 Å²	38.9	14%	0.144	19%	0.189	C	C	.	.			trans	-69.2	130.4	167.1	-64.5	-78.5	0	0	0	110.2	C94 T95 R96 P170	C94-D137 PolarHBondContact SG-N 2.95Å; C94-D137 VanDerWaalsContact SG-N 3.38Å; C94-D137 PolarHBondContact SG-OD2 3.32Å; T95-D137 WeakPolarHBondContact CB-O 3.48Å; T95-D137 WeakPolarHBondContact CG2-O 3.33Å; T95-D137 PolarHBondContact N-O 3.08Å; T95-D137 PolarHBondContact OG1-O 3.31Å; R96-D137 HydrophobicContact CB-CB 4.18Å; R96-D137 WeakPolarHBondContact CD-OD2 3.38Å; R96-D137 HydrophobicContact CG-CB 3.73Å; R96-D137 IonicContact CZ-OD1 2.71Å; R96-D137 IonicContact NE-OD1 3.82Å; R96-D137 IonicContact NH1-OD1 3.72Å; R96-D137 IonicContact NH2-OD1 3.66Å; D137-P170 VanDerWaalsContact OD1-CB 3.3Å; D137-P170 WeakPolarHBondContact OD1-CB 3.35Å
138	R	97.9	Very high	95.6	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.015	16%	0.16	C	C	.	.			trans	-118.1	62.5	176.9	-67.6	-58.4	-59.3	-95	-0.2	111.9	L90 V109 V136 D140 L141	L90-R138 HydrophobicContact CB-CG 3.81Å; L90-R138 HydrophobicContact CD1-CG 3.81Å; L90-R138 HydrophobicContact CG-CG 4.28Å; L90-R138 PolarHBondContact O-NH1 2.78Å; V109-R138 PolarHBondContact O-NH1 3.03Å; V109-R138 PolarHBondContact O-NH2 3.44Å; V136-R138 HydrophobicContact CG2-CG 4.18Å; V136-R138 PolarHBondContact O-N 3.01Å; R138-D140 WeakPolarHBondContact CA-OD1 3.31Å; R138-D140 IonicContact CZ-OD1 3.71Å; R138-D140 IonicContact CZ-OD2 2.71Å; R138-D140 IonicContact NE-OD1 2.77Å; R138-D140 PolarHBondContact NE-OD1 3.3Å; R138-D140 IonicContact NE-OD2 3.26Å; R138-D140 PolarHBondContact NE-OD2 2.97Å; R138-D140 IonicContact NH2-OD1 3.67Å; R138-D140 IonicContact NH2-OD2 3.41Å; R138-D140 PolarHBondContact NH2-OD2 3.41Å; R138-D140 PolarHBondContact O-N 3.48Å; R138-L141 HydrophobicContact CB-CB 4.36Å; R138-L141 HydrophobicContact CB-CD1 3.7Å; R138-L141 HydrophobicContact CB-CG 3.93Å; R138-L141 HydrophobicContact CG-CD1 4.08Å; R138-L141 PolarHBondContact O-N 3.39Å
139	D	97.2	Very high	96.3	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-9.7	176.4	-69.7	-36.5	0	0	0	113.3	T95 R96 R173 R175	T95-D139 WeakPolarHBondContact OG1-CB 3.24Å; T95-D139 PolarHBondContact OG1-N 3.47Å; R96-D139 WeakPolarHBondContact CG-OD2 3.48Å; R96-D139 IonicContact CZ-OD1 3.6Å; R96-D139 IonicContact CZ-OD2 3.39Å; R96-D139 IonicContact NE-OD1 3.57Å; R96-D139 PolarHBondContact NE-OD1 3.27Å; R96-D139 IonicContact NE-OD2 2.74Å; R96-D139 PolarHBondContact NE-OD2 3.04Å; R96-D139 IonicContact NH2-OD1 3.84Å; R96-D139 PolarHBondContact NH2-OD1 3Å; R96-D139 IonicContact NH2-OD2 2.71Å; D139-R173 VanDerWaalsContact CG-NH2 3.32Å; D139-R173 IonicContact OD1-NE 2.65Å; D139-R173 IonicContact OD1-NH2 2.83Å; D139-R173 IonicContact OD2-CZ 3.92Å; D139-R173 IonicContact OD2-NE 2.93Å; D139-R173 IonicContact OD2-NH2 3.21Å; D139-R173 PolarHBondContact OD2-NH2 3.16Å; D139-R175 PolarHBondContact O-NH2 3.49Å
140	D	96.9	Very high	97.2	Very high	75 Å²	75	26.4 Å²	26.4	40%	0.401	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.1	172.4	64.3	-57	0	0	0	113.8	T95 R138	T95-D140 WeakPolarHBondContact CG2-OD1 3.47Å; R138-D140 WeakPolarHBondContact CA-OD1 3.31Å; R138-D140 IonicContact CZ-OD1 3.71Å; R138-D140 IonicContact CZ-OD2 2.71Å; R138-D140 IonicContact NE-OD1 2.77Å; R138-D140 PolarHBondContact NE-OD1 3.3Å; R138-D140 IonicContact NE-OD2 3.26Å; R138-D140 PolarHBondContact NE-OD2 2.97Å; R138-D140 IonicContact NH2-OD1 3.67Å; R138-D140 IonicContact NH2-OD2 3.41Å; R138-D140 PolarHBondContact NH2-OD2 3.41Å; R138-D140 PolarHBondContact O-N 3.48Å
141	L	97.9	Very high	97.6	Very high	38 Å²	38	28.9 Å²	28.9	20%	0.199	14%	0.138	C	C	.	.	S	Bend	trans	-91.7	154	177.9	-59.8	179.2	0	0	0	111.7	L90 P111 R138 D143 R175	L90-L141 HydrophobicContact CD2-CD1 4.38Å; P111-L141 HydrophobicContact CG-CD1 3.91Å; P111-L141 HydrophobicContact CG-CD2 4.29Å; R138-L141 HydrophobicContact CB-CB 4.36Å; R138-L141 HydrophobicContact CB-CD1 3.7Å; R138-L141 HydrophobicContact CB-CG 3.93Å; R138-L141 HydrophobicContact CG-CD1 4.08Å; R138-L141 PolarHBondContact O-N 3.39Å; L141-D143 VanDerWaalsContact C-N 3.33Å; L141-D143 PolarHBondContact O-N 2.99Å; L141-R175 VanDerWaalsContact O-CZ 3.27Å; L141-R175 PolarHBondContact O-NE 3.27Å; L141-R175 PolarHBondContact O-NH2 3.03Å; L141-R175 VanDerWaalsContact O-NH2 3.13Å
142	R	97.1	Very high	97.9	Very high	208 Å²	208	28.9 Å²	28.9	79%	0.785	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.7	-177.5	-72.1	-174.7	178.1	-169.6	-0.1	113.6	R175	R142-R175 VanDerWaalsContact O-CD 3.23Å; R142-R175 WeakPolarHBondContact O-CD 3.3Å; R142-R175 PolarHBondContact O-NE 3.11Å
143	D	98	Very high	98.1	Very high	22 Å²	22	28.8 Å²	28.8	12%	0.118	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	6.3	179.7	66.5	-18.9	0	0	0	112.2	L141 G145 A146 Q147 R178 I182	L141-D143 VanDerWaalsContact C-N 3.33Å; L141-D143 PolarHBondContact O-N 2.99Å; D143-G145 PolarHBondContact O-N 2.9Å; D143-G145 VanDerWaalsContact O-N 3.15Å; D143-G145 PolarHBondContact OD1-N 3.01Å; D143-A146 HydrophobicContact CB-CB 4.43Å; D143-A146 WeakPolarHBondContact O-CB 3.35Å; D143-A146 PolarHBondContact O-N 3.09Å; D143-A146 PolarHBondContact OD2-N 3.23Å; D143-Q147 WeakPolarHBondContact OD2-CB 3.28Å; D143-Q147 PolarHBondContact OD2-N 2.87Å; D143-R178 HydrophobicContact CB-CG 4.17Å; D143-I182 HydrophobicContact CB-CD1 4.09Å
144	G	98	Very high	98.1	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	13.4	-175.3	0	0	0	0	0	114.5
145	G	98.4	Very high	98.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	5.2	-176.5	0	0	0	0	0	115.3	D143 Q147 H148 F149	D143-G145 PolarHBondContact O-N 2.9Å; D143-G145 VanDerWaalsContact O-N 3.15Å; D143-G145 PolarHBondContact OD1-N 3.01Å; G145-Q147 VanDerWaalsContact C-N 3.33Å; G145-Q147 PolarHBondContact O-N 2.84Å; G145-H148 WeakPolarHBondContact O-CB 3.4Å; G145-H148 PolarHBondContact O-N 3.05Å; G145-F149 PolarHBondContact O-N 2.88Å
146	A	98.7	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.4	-40.1	-178.9	0	0	0	0	0	113.5	D143 H148 F149 A150 F172 A179 I182 L183	D143-A146 HydrophobicContact CB-CB 4.43Å; D143-A146 WeakPolarHBondContact O-CB 3.35Å; D143-A146 PolarHBondContact O-N 3.09Å; D143-A146 PolarHBondContact OD2-N 3.23Å; A146-H148 PolarHBondContact O-N 2.77Å; A146-F149 WeakPolarHBondContact O-CB 3.27Å; A146-F149 PolarHBondContact O-N 3.39Å; A146-A150 PolarHBondContact O-N 3.19Å; A146-A150 VanDerWaalsContact O-N 3.16Å; A146-F172 HydrophobicContact CB-CD1 4.29Å; A146-F172 HydrophobicContact CB-CE1 3.81Å; A146-F172 HydrophobicContact CB-CZ 4.2Å; A146-A179 HydrophobicContact CB-CB 3.67Å; A146-I182 HydrophobicContact CB-CB 4.37Å; A146-I182 HydrophobicContact CB-CD1 4.13Å; A146-I182 HydrophobicContact CB-CG2 4.36Å; A146-L183 HydrophobicContact CB-CD1 4.34Å; A146-L183 HydrophobicContact CB-CG 4.37Å
147	Q	98.6	Very high	98.2	Very high	85 Å²	85	35.3 Å²	35.3	40%	0.397	17%	0.166	S	C	.	.	H	α-helix	trans	-59.6	-37.8	175.7	-172.3	60.7	55.7	0	0	111.4	D143 G145 F149 A150 D151 I182	D143-Q147 WeakPolarHBondContact OD2-CB 3.28Å; D143-Q147 PolarHBondContact OD2-N 2.87Å; G145-Q147 VanDerWaalsContact C-N 3.33Å; G145-Q147 PolarHBondContact O-N 2.84Å; Q147-F149 VanDerWaalsContact C-N 3.35Å; Q147-F149 PolarHBondContact O-N 3.36Å; Q147-A150 WeakPolarHBondContact O-CB 3.41Å; Q147-A150 PolarHBondContact O-N 3Å; Q147-A150 VanDerWaalsContact O-N 3.13Å; Q147-D151 PolarHBondContact NE2-OD1 2.65Å; Q147-D151 PolarHBondContact O-N 2.93Å; Q147-I182 HydrophobicContact CB-CD1 4.24Å
148	H	98.7	Very high	98.1	Very high	17 Å²	17	41.1 Å²	41.1	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-35.7	-179.5	-148	72	0	0	0	112.5	L90 D112 E115 G145 A146 D151 C152	L90-H148 HydrophobicContact CD1-CB 4.35Å; L90-H148 HydrophobicContact CD2-CB 3.63Å; L90-H148 VanDerWaalsContact CD2-CG 3.49Å; L90-H148 HydrophobicContact CG-CB 4.2Å; D112-H148 PolarHBondContact O-CE1 3.33Å; E115-H148 IonicContact OE2-CD2 2.58Å; E115-H148 PolarHBondContact OE2-CD2 3.48Å; E115-H148 IonicContact OE2-NE2 3.87Å; E115-H148 PolarHBondContact OE2-NE2 3.19Å; G145-H148 WeakPolarHBondContact O-CB 3.4Å; G145-H148 PolarHBondContact O-N 3.05Å; A146-H148 PolarHBondContact O-N 2.77Å; H148-D151 PolarHBondContact O-N 3.04Å; H148-C152 WeakPolarHBondContact O-CB 3.28Å; H148-C152 PolarHBondContact O-N 2.9Å; H148-C152 PolarHBondContact O-SG 3.08Å
149	F	98.8	Very high	98.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-47.7	169.1	-84.5	-86.8	0	0	0	111.3	I89 I133 S135 G145 A146 Q147 D151 C152 I153 T167 V169 L183	I89-F149 HydrophobicContact CD1-CB 4.48Å; I89-F149 HydrophobicContact CD1-CD1 3.93Å; I89-F149 HydrophobicContact CD1-CD2 3.95Å; I89-F149 HydrophobicContact CD1-CE1 4.13Å; I89-F149 HydrophobicContact CD1-CE2 4.16Å; I89-F149 HydrophobicContact CD1-CG 3.84Å; I89-F149 HydrophobicContact CD1-CZ 4.25Å; I89-F149 HydrophobicContact CG1-CZ 4.48Å; I133-F149 HydrophobicContact CG2-CD1 4.15Å; I133-F149 HydrophobicContact CG2-CE1 4.09Å; S135-F149 VanDerWaalsContact OG-CE2 3.25Å; S135-F149 WeakPolarHBondContact OG-CE2 3.36Å; S135-F149 WeakPolarHBondContact OG-CZ 3.41Å; G145-F149 PolarHBondContact O-N 2.88Å; A146-F149 WeakPolarHBondContact O-CB 3.27Å; A146-F149 PolarHBondContact O-N 3.39Å; Q147-F149 VanDerWaalsContact C-N 3.35Å; Q147-F149 PolarHBondContact O-N 3.36Å; F149-D151 PolarHBondContact O-N 3.46Å; F149-C152 WeakPolarHBondContact O-CB 3.26Å; F149-C152 PolarHBondContact O-N 3.48Å; F149-I153 VanDerWaalsContact O-CG1 3.29Å; F149-I153 WeakPolarHBondContact O-CG1 3.29Å; F149-I153 PolarHBondContact O-N 2.93Å; F149-T167 HydrophobicContact CD1-CG2 3.8Å; F149-T167 HydrophobicContact CE1-CG2 4.31Å; F149-V169 HydrophobicContact CD1-CG1 4.28Å; F149-V169 HydrophobicContact CE1-CG1 4.08Å; F149-V169 HydrophobicContact CE2-CG1 4.46Å; F149-V169 HydrophobicContact CZ-CG1 4.17Å; F149-L183 HydrophobicContact CB-CD2 3.82Å
150	A	98.7	Very high	98	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-41.5	179	0	0	0	0	0	112.4	A146 Q147 I153 T154 I182 T186	A146-A150 PolarHBondContact O-N 3.19Å; A146-A150 VanDerWaalsContact O-N 3.16Å; Q147-A150 WeakPolarHBondContact O-CB 3.41Å; Q147-A150 PolarHBondContact O-N 3Å; Q147-A150 VanDerWaalsContact O-N 3.13Å; A150-I153 PolarHBondContact O-N 3.49Å; A150-T154 WeakPolarHBondContact O-CB 3.49Å; A150-T154 PolarHBondContact O-N 3.15Å; A150-T154 PolarHBondContact O-OG1 2.81Å; A150-I182 HydrophobicContact CB-CG2 3.68Å; A150-T186 HydrophobicContact CB-CG2 4.26Å
151	D	98.7	Very high	97.9	Very high	63 Å²	63	46.7 Å²	46.7	34%	0.337	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-43.6	176.4	-60.9	-18.7	0	0	0	110.7	P116 Q147 H148 F149 T154 A155	P116-D151 HydrophobicContact CB-CB 4.22Å; P116-D151 HydrophobicContact CG-CB 3.79Å; Q147-D151 PolarHBondContact NE2-OD1 2.65Å; Q147-D151 PolarHBondContact O-N 2.93Å; H148-D151 PolarHBondContact O-N 3.04Å; F149-D151 PolarHBondContact O-N 3.46Å; D151-T154 PolarHBondContact O-N 3.36Å; D151-A155 WeakPolarHBondContact O-CB 3.4Å; D151-A155 PolarHBondContact O-N 2.91Å
152	C	98.6	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-47.2	174.3	-73.6	0	0	0	0	112.4	L119 I133 H148 F149 T154 A155 I156	L119-C152 HydrophobicContact CD2-CB 4Å; I133-C152 HydrophobicContact CD1-CB 4.26Å; H148-C152 WeakPolarHBondContact O-CB 3.28Å; H148-C152 PolarHBondContact O-N 2.9Å; H148-C152 PolarHBondContact O-SG 3.08Å; F149-C152 WeakPolarHBondContact O-CB 3.26Å; F149-C152 PolarHBondContact O-N 3.48Å; C152-T154 VanDerWaalsContact C-N 3.3Å; C152-T154 PolarHBondContact O-N 3.3Å; C152-A155 PolarHBondContact O-N 2.96Å; C152-I156 WeakPolarHBondContact O-CB 3.34Å; C152-I156 VanDerWaalsContact O-CD1 3.3Å; C152-I156 WeakPolarHBondContact O-CD1 3.25Å; C152-I156 WeakPolarHBondContact O-CG1 3.36Å; C152-I156 PolarHBondContact O-N 3.13Å
153	I	98.5	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-46.1	177.9	-67.9	165	0	0	0	110.1	F149 A150 I156 R157 I165 T167 T186 P188	F149-I153 VanDerWaalsContact O-CG1 3.29Å; F149-I153 WeakPolarHBondContact O-CG1 3.29Å; F149-I153 PolarHBondContact O-N 2.93Å; A150-I153 PolarHBondContact O-N 3.49Å; I153-I156 PolarHBondContact O-N 3.11Å; I153-R157 WeakPolarHBondContact O-CG 3.48Å; I153-R157 PolarHBondContact O-N 2.85Å; I153-I165 HydrophobicContact CG1-CG2 4.19Å; I153-I165 HydrophobicContact CG2-CD1 4.04Å; I153-T167 HydrophobicContact CD1-CG2 3.85Å; I153-T167 HydrophobicContact CG1-CG2 4.3Å; I153-T186 HydrophobicContact CB-CG2 3.99Å; I153-T186 WeakPolarHBondContact CD1-O 3.43Å; I153-T186 HydrophobicContact CG2-CG2 3.77Å; I153-P188 HydrophobicContact CD1-CB 4.44Å
154	T	98.5	Very high	97.2	Very high	58 Å²	58	48.4 Å²	48.4	36%	0.356	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-54.4	179.6	-56.5	0	0	0	0	111	A150 D151 C152 I156 R157 E158	A150-T154 WeakPolarHBondContact O-CB 3.49Å; A150-T154 PolarHBondContact O-N 3.15Å; A150-T154 PolarHBondContact O-OG1 2.81Å; D151-T154 PolarHBondContact O-N 3.36Å; C152-T154 VanDerWaalsContact C-N 3.3Å; C152-T154 PolarHBondContact O-N 3.3Å; T154-I156 VanDerWaalsContact C-N 3.28Å; T154-I156 PolarHBondContact O-N 2.87Å; T154-R157 PolarHBondContact O-N 2.94Å; T154-R157 VanDerWaalsContact O-N 3.16Å; T154-E158 WeakPolarHBondContact O-CG 3.31Å; T154-E158 PolarHBondContact O-N 2.93Å
155	A	98.5	Very high	97.1	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-38.3	-179.3	0	0	0	0	0	112.4	P116 A120 D151 C152 K159	P116-A155 HydrophobicContact CB-CB 4.06Å; A120-A155 VanDerWaalsContact CB-C 3.4Å; A120-A155 HydrophobicContact CB-CB 3.86Å; A120-A155 VanDerWaalsContact CB-O 3.23Å; A120-A155 WeakPolarHBondContact CB-O 3.19Å; D151-A155 WeakPolarHBondContact O-CB 3.4Å; D151-A155 PolarHBondContact O-N 2.91Å; C152-A155 PolarHBondContact O-N 2.96Å; A155-K159 PolarHBondContact O-N 2.84Å
156	I	98	Very high	97.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-46.5	177.3	-70.9	164.3	0	0	0	110.8	L119 A120 I123 V131 I133 C152 I153 T154 E158 K159 S160 I163 I165	L119-I156 HydrophobicContact CD2-CD1 3.9Å; L119-I156 HydrophobicContact CG-CD1 4.13Å; A120-I156 HydrophobicContact CB-CG1 4Å; I123-I156 HydrophobicContact CD1-CD1 3.47Å; I123-I156 VanDerWaalsContact CD1-CD1 3.47Å; I123-I156 HydrophobicContact CD1-CG1 3.69Å; I123-I156 HydrophobicContact CD1-CG2 4.48Å; V131-I156 HydrophobicContact CG1-CG2 4.48Å; I133-I156 HydrophobicContact CD1-CD1 3.31Å; I133-I156 HydrophobicContact CG1-CD1 4.2Å; C152-I156 WeakPolarHBondContact O-CB 3.34Å; C152-I156 VanDerWaalsContact O-CD1 3.3Å; C152-I156 WeakPolarHBondContact O-CD1 3.25Å; C152-I156 WeakPolarHBondContact O-CG1 3.36Å; C152-I156 PolarHBondContact O-N 3.13Å; I153-I156 PolarHBondContact O-N 3.11Å; T154-I156 VanDerWaalsContact C-N 3.28Å; T154-I156 PolarHBondContact O-N 2.87Å; I156-E158 VanDerWaalsContact C-N 3.31Å; I156-E158 PolarHBondContact O-N 3.45Å; I156-K159 PolarHBondContact O-N 3.45Å; I156-S160 WeakPolarHBondContact O-CA 3.17Å; I156-S160 PolarHBondContact O-N 2.73Å; I156-I163 HydrophobicContact CG2-CD1 4.44Å; I156-I163 HydrophobicContact CG2-CG2 3.47Å; I156-I163 VanDerWaalsContact CG2-CG2 3.47Å; I156-I165 HydrophobicContact CB-CD1 4.06Å; I156-I165 HydrophobicContact CG2-CD1 3.66Å; I156-I165 HydrophobicContact CG2-CG1 4.11Å
157	R	97.4	Very high	97	Very high	103 Å²	103	48.2 Å²	48.2	39%	0.389	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-35.8	178.7	-73.2	-178.5	178	-139.7	4.1	112.1	I153 T154 S160 P161 I165 P187 D189	I153-R157 WeakPolarHBondContact O-CG 3.48Å; I153-R157 PolarHBondContact O-N 2.85Å; T154-R157 PolarHBondContact O-N 2.94Å; T154-R157 VanDerWaalsContact O-N 3.16Å; R157-S160 CarbonylContact O-C 3.55Å; R157-P161 VanDerWaalsContact O-CA 3.27Å; R157-P161 WeakPolarHBondContact O-CA 3.29Å; R157-P161 WeakPolarHBondContact O-CG 3.28Å; R157-I165 HydrophobicContact CG-CD1 3.77Å; R157-P187 PolarHBondContact NH2-O 2.74Å; R157-D189 IonicContact NH2-OD2 3.69Å
158	E	97.7	Very high	97	Very high	149 Å²	149	45.5 Å²	45.5	70%	0.696	23%	0.226	S	C	*	.	H	α-helix	trans	-61.1	-42.8	174.9	-74.3	176.2	175.2	0	0	112.3	T154 I156	T154-E158 WeakPolarHBondContact O-CG 3.31Å; T154-E158 PolarHBondContact O-N 2.93Å; I156-E158 VanDerWaalsContact C-N 3.31Å; I156-E158 PolarHBondContact O-N 3.45Å
159	K	96.9	Very high	97	Very high	91 Å²	91	45 Å²	45	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-86.2	-25.4	-179.7	-74.4	-170.5	177.7	-76.9	0	114.2	A120 Q121 A124 A155 I156	A120-K159 HydrophobicContact CB-CB 4.4Å; A120-K159 HydrophobicContact CB-CD 3.84Å; A120-K159 HydrophobicContact CB-CG 4.34Å; Q121-K159 HydrophobicContact CB-CD 4.3Å; Q121-K159 VanDerWaalsContact OE1-CE 3.29Å; A124-K159 HydrophobicContact CB-CB 4.36Å; A155-K159 PolarHBondContact O-N 2.84Å; I156-K159 PolarHBondContact O-N 3.45Å
160	S	95.5	Very high	97	Very high	24 Å²	24	45.6 Å²	45.6	17%	0.168	23%	0.228	C	C	.	.			trans	-141.3	74	-175.2	-64.8	0	0	0	0	110.6	I156 R157 Q162 I163	I156-S160 WeakPolarHBondContact O-CA 3.17Å; I156-S160 PolarHBondContact O-N 2.73Å; R157-S160 CarbonylContact O-C 3.55Å; S160-Q162 PolarHBondContact O-N 2.94Å; S160-I163 WeakPolarHBondContact O-CB 3.29Å; S160-I163 WeakPolarHBondContact O-CG2 3.29Å; S160-I163 PolarHBondContact O-N 2.93Å
161	P	94.8	Very high	97	Very high	107 Å²	107	45.6 Å²	45.6	70%	0.695	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.1	-169.7	-25.2	34.3	0	0	0	115.8	R157	R157-P161 VanDerWaalsContact O-CA 3.27Å; R157-P161 WeakPolarHBondContact O-CA 3.29Å; R157-P161 WeakPolarHBondContact O-CG 3.28Å
162	Q	92.2	Very high	97	Very high	187 Å²	187	42.8 Å²	42.8	87%	0.874	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.4	-178.8	-63.5	-174.5	-12	0	0	113.6	S160	S160-Q162 PolarHBondContact O-N 2.94Å
163	I	91.9	Very high	96.8	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.051	23%	0.233	C	C	.	.			trans	-70.9	142.2	-177.8	-159.4	175.1	0	0	0	110.6	I123 L128 R129 V131 I156 S160 I165	I123-I163 HydrophobicContact CG2-CD1 3.25Å; L128-I163 HydrophobicContact CB-CD1 4.17Å; L128-I163 WeakPolarHBondContact O-CD1 3.38Å; R129-I163 WeakPolarHBondContact O-CG1 3.34Å; V131-I163 HydrophobicContact CB-CD1 4.02Å; V131-I163 HydrophobicContact CG1-CD1 3.81Å; V131-I163 HydrophobicContact CG1-CG1 4.43Å; I156-I163 HydrophobicContact CG2-CD1 4.44Å; I156-I163 HydrophobicContact CG2-CG2 3.47Å; I156-I163 VanDerWaalsContact CG2-CG2 3.47Å; S160-I163 WeakPolarHBondContact O-CB 3.29Å; S160-I163 WeakPolarHBondContact O-CG2 3.29Å; S160-I163 PolarHBondContact O-N 2.93Å; I163-I165 HydrophobicContact CG2-CD1 4.29Å; I163-I165 HydrophobicContact CG2-CG1 3.99Å
164	K	93.9	Very high	96.7	Very high	108 Å²	108	51.3 Å²	51.3	47%	0.47	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.1	169.4	-67.6	-58	-169.6	-175.9	0	110.8	R129 Y130 V131 D189	R129-K164 PolarHBondContact O-N 2.98Å; R129-K164 VanDerWaalsContact O-N 3.08Å; Y130-K164 CarbonylContact C-O 3.25Å; Y130-K164 WeakPolarHBondContact CA-O 3.42Å; Y130-K164 HydrophobicContact CD2-CB 3.5Å; Y130-K164 HydrophobicContact CD2-CG 4.5Å; Y130-K164 HydrophobicContact CE2-CB 3.87Å; Y130-K164 HydrophobicContact CG-CB 4.34Å; V131-K164 PolarHBondContact N-O 2.9Å; K164-D189 WeakPolarHBondContact CA-OD2 3.41Å; K164-D189 HydrophobicContact CD-CB 3.97Å; K164-D189 WeakPolarHBondContact CD-OD1 3.49Å; K164-D189 IonicContact NZ-OD1 3.48Å; K164-D189 PolarHBondContact NZ-OD1 2.91Å
165	I	96.3	Very high	96.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.8	-174.8	-53.8	172.2	0	0	0	109.6	V131 I133 I153 I156 R157 I163 P188 D189 V190	V131-I165 HydrophobicContact CG1-CB 4.38Å; V131-I165 HydrophobicContact CG1-CG1 3.99Å; V131-I165 HydrophobicContact CG1-CG2 4.27Å; I133-I165 HydrophobicContact CD1-CG2 3.74Å; I133-I165 HydrophobicContact CG1-CG2 4.29Å; I153-I165 HydrophobicContact CG1-CG2 4.19Å; I153-I165 HydrophobicContact CG2-CD1 4.04Å; I156-I165 HydrophobicContact CB-CD1 4.06Å; I156-I165 HydrophobicContact CG2-CD1 3.66Å; I156-I165 HydrophobicContact CG2-CG1 4.11Å; R157-I165 HydrophobicContact CG-CD1 3.77Å; I163-I165 HydrophobicContact CG2-CD1 4.29Å; I163-I165 HydrophobicContact CG2-CG1 3.99Å; I165-P188 WeakPolarHBondContact O-CB 3.49Å; I165-D189 PolarHBondContact N-OD2 3.48Å; I165-D189 WeakPolarHBondContact O-CA 3.25Å; I165-D189 WeakPolarHBondContact O-CB 3.37Å; I165-D189 PolarHBondContact O-N 2.88Å; I165-V190 PolarHBondContact O-N 2.78Å
166	E	97.3	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133	165.3	175.3	174.2	157	0	0	109.4	Y130 V131 V132 I133 V190 N192 K231	Y130-E166 HydrophobicContact CE1-CB 3.76Å; Y130-E166 WeakPolarHBondContact OH-CB 3.47Å; Y130-E166 PolarHBondContact OH-OE2 2.76Å; V131-E166 PolarHBondContact O-N 2.69Å; V132-E166 CarbonylContact C-O 3.38Å; V132-E166 VanDerWaalsContact CA-O 3.29Å; V132-E166 WeakPolarHBondContact CA-O 3.43Å; V132-E166 HydrophobicContact CG1-CG 4.3Å; V132-E166 HydrophobicContact CG2-CB 4.16Å; V132-E166 HydrophobicContact CG2-CG 4.44Å; I133-E166 PolarHBondContact N-O 3.21Å; E166-V190 WeakPolarHBondContact CA-O 3.06Å; E166-V190 HydrophobicContact CB-CB 3.97Å; E166-V190 HydrophobicContact CG-CB 3.88Å; E166-V190 HydrophobicContact CG-CG1 3.93Å; E166-N192 HydrophobicContact CG-CB 4.21Å; E166-N192 PolarHBondContact OE1-ND2 2.66Å; E166-K231 WeakPolarHBondContact OE1-CD 3.37Å; E166-K231 WeakPolarHBondContact OE1-CE 3.46Å; E166-K231 IonicContact OE1-NZ 2.97Å; E166-K231 PolarHBondContact OE1-NZ 3.2Å; E166-K231 IonicContact OE2-NZ 3Å; E166-K231 PolarHBondContact OE2-NZ 3.2Å
167	T	98.3	Very high	96.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	168.1	53.6	0	0	0	0	110.9	I133 F149 I153 P188 V190 N192	I133-T167 CarbonylContact O-C 3.57Å; I133-T167 VanDerWaalsContact O-CA 3.29Å; I133-T167 WeakPolarHBondContact O-CA 3.3Å; F149-T167 HydrophobicContact CD1-CG2 3.8Å; F149-T167 HydrophobicContact CE1-CG2 4.31Å; I153-T167 HydrophobicContact CD1-CG2 3.85Å; I153-T167 HydrophobicContact CG1-CG2 4.3Å; T167-P188 HydrophobicContact CG2-CB 4.04Å; T167-P188 HydrophobicContact CG2-CG 4.49Å; T167-P188 WeakPolarHBondContact OG1-CG 3.45Å; T167-V190 PolarHBondContact N-O 3.05Å; T167-N192 VanDerWaalsContact O-CA 3.29Å; T167-N192 WeakPolarHBondContact O-CA 3.49Å; T167-N192 WeakPolarHBondContact O-CB 3.49Å; T167-N192 PolarHBondContact O-N 3.49Å; T167-N192 VanDerWaalsContact O-O 3.12Å
168	L	98.3	Very high	96.7	Very high	28 Å²	28	57.3 Å²	57.3	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	96.6	163.6	171.7	59.6	0	0	0	109	V132 I133 T134 N192 N194	V132-L168 HydrophobicContact CG1-CB 4.48Å; I133-L168 PolarHBondContact O-N 2.83Å; T134-L168 VanDerWaalsContact CA-O 3.28Å; T134-L168 WeakPolarHBondContact CA-O 3.5Å; T134-L168 WeakPolarHBondContact CB-O 3.45Å; T134-L168 PolarHBondContact OG1-O 3.41Å; L168-N192 CarbonylContact C-O 3.55Å; L168-N192 VanDerWaalsContact CA-O 3.29Å; L168-N192 WeakPolarHBondContact CA-O 3.39Å; L168-N192 HydrophobicContact CB-CB 4.37Å; L168-N192 HydrophobicContact CD1-CB 4.31Å; L168-N194 HydrophobicContact CD1-CB 4.48Å
169	V	98.7	Very high	96.8	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.036	25%	0.253	C	S	.	.			trans	-92.1	153.6	-170.7	-61.7	0	0	0	0	112.9	F149 F172 L183 F191 N192 H193 L217	F149-V169 HydrophobicContact CD1-CG1 4.28Å; F149-V169 HydrophobicContact CE1-CG1 4.08Å; F149-V169 HydrophobicContact CE2-CG1 4.46Å; F149-V169 HydrophobicContact CZ-CG1 4.17Å; V169-F172 HydrophobicContact CB-CE2 3.73Å; V169-F172 HydrophobicContact CB-CZ 3.77Å; V169-F172 HydrophobicContact CG1-CE2 4.33Å; V169-F172 HydrophobicContact CG1-CZ 4.14Å; V169-F172 HydrophobicContact CG2-CE2 3.89Å; V169-F172 HydrophobicContact CG2-CZ 4.44Å; V169-L183 HydrophobicContact CG1-CD1 4.35Å; V169-F191 HydrophobicContact CG1-CE2 4.18Å; V169-F191 HydrophobicContact CG2-CE1 4.08Å; V169-F191 HydrophobicContact CG2-CE2 3.96Å; V169-F191 HydrophobicContact CG2-CZ 3.55Å; V169-N192 WeakPolarHBondContact CG2-O 3.39Å; V169-N192 PolarHBondContact N-O 3.05Å; V169-H193 HydrophobicContact CG2-CB 4.18Å; V169-H193 PolarHBondContact O-ND1 3.4Å; V169-L217 HydrophobicContact CG2-CD2 4.15Å
170	P	98.4	Very high	96.9	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.084	24%	0.236	C	C	.	.			trans	-66.7	178.2	165.5	31.4	-36.2	0	0	0	111.1	D137 F172 H193 L217	D137-P170 VanDerWaalsContact OD1-CB 3.3Å; D137-P170 WeakPolarHBondContact OD1-CB 3.35Å; P170-F172 VanDerWaalsContact C-N 3.28Å; P170-F172 HydrophobicContact CG-CD1 3.93Å; P170-F172 HydrophobicContact CG-CE1 3.61Å; P170-F172 HydrophobicContact CG-CG 4.49Å; P170-F172 HydrophobicContact CG-CZ 3.93Å; P170-F172 WeakPolarHBondContact O-CD2 3.36Å; P170-F172 WeakPolarHBondContact O-CE2 3.47Å; P170-F172 PolarHBondContact O-N 3.42Å; P170-H193 PolarHBondContact O-ND1 3.03Å; P170-L217 WeakPolarHBondContact O-CD2 3.43Å
171	D	98.4	Very high	97	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.257	C	S	.	.			trans	-80.5	-8.1	178.8	70.1	6.4	0	0	0	113.8	R96 R173 H193 A209 W213	R96-D171 IonicContact CZ-OD1 2.67Å; R96-D171 VanDerWaalsContact CZ-OD1 3.27Å; R96-D171 IonicContact CZ-OD2 2.75Å; R96-D171 IonicContact NH1-OD1 2.83Å; R96-D171 PolarHBondContact NH1-OD1 3.26Å; R96-D171 IonicContact NH1-OD2 3.9Å; R96-D171 PolarHBondContact NH1-OD2 2.92Å; R96-D171 IonicContact NH2-OD1 2.72Å; R96-D171 PolarHBondContact NH2-OD1 3.48Å; R96-D171 IonicContact NH2-OD2 3.48Å; D171-R173 VanDerWaalsContact C-N 3.28Å; D171-R173 PolarHBondContact O-N 3Å; D171-R173 WeakPolarHBondContact OD1-CB 3.46Å; D171-R173 PolarHBondContact OD1-N 3.43Å; D171-H193 PolarHBondContact N-CE1 3.37Å; D171-A209 WeakPolarHBondContact OD2-CB 3.23Å; D171-W213 PolarHBondContact O-NE1 2.86Å
172	F	98.4	Very high	97.2	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	23%	0.229	C	C	.	.			trans	50.4	41.7	-173.9	-50.9	-74.2	0	0	0	113.8	A146 V169 P170 G174 R175 M176 A179 L183 L217	A146-F172 HydrophobicContact CB-CD1 4.29Å; A146-F172 HydrophobicContact CB-CE1 3.81Å; A146-F172 HydrophobicContact CB-CZ 4.2Å; V169-F172 HydrophobicContact CB-CE2 3.73Å; V169-F172 HydrophobicContact CB-CZ 3.77Å; V169-F172 HydrophobicContact CG1-CE2 4.33Å; V169-F172 HydrophobicContact CG1-CZ 4.14Å; V169-F172 HydrophobicContact CG2-CE2 3.89Å; V169-F172 HydrophobicContact CG2-CZ 4.44Å; P170-F172 VanDerWaalsContact C-N 3.28Å; P170-F172 HydrophobicContact CG-CD1 3.93Å; P170-F172 HydrophobicContact CG-CE1 3.61Å; P170-F172 HydrophobicContact CG-CG 4.49Å; P170-F172 HydrophobicContact CG-CZ 3.93Å; P170-F172 WeakPolarHBondContact O-CD2 3.36Å; P170-F172 WeakPolarHBondContact O-CE2 3.47Å; P170-F172 PolarHBondContact O-N 3.42Å; F172-G174 PolarHBondContact O-N 3.39Å; F172-R175 CarbonylContact O-C 3.52Å; F172-R175 VanDerWaalsContact O-CA 3.29Å; F172-R175 WeakPolarHBondContact O-CA 3.46Å; F172-R175 WeakPolarHBondContact O-CB 3.42Å; F172-R175 PolarHBondContact O-N 2.75Å; F172-M176 PolarHBondContact O-N 3.1Å; F172-A179 HydrophobicContact CB-CB 3.63Å; F172-A179 HydrophobicContact CD1-CB 3.66Å; F172-A179 HydrophobicContact CD2-CB 3.46Å; F172-A179 VanDerWaalsContact CD2-CB 3.46Å; F172-A179 HydrophobicContact CE1-CB 4.14Å; F172-A179 HydrophobicContact CE2-CB 3.95Å; F172-A179 HydrophobicContact CG-CB 3.29Å; F172-A179 HydrophobicContact CZ-CB 4.27Å; F172-L183 HydrophobicContact CE2-CD1 3.59Å; F172-L183 HydrophobicContact CZ-CD1 3.61Å; F172-L217 HydrophobicContact CD2-CD1 4.19Å; F172-L217 HydrophobicContact CD2-CD2 4.33Å
173	R	95.7	Very high	97.5	Very high	116 Å²	116	37.7 Å²	37.7	44%	0.438	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-36.3	121.5	-178.2	-180	177.6	68.3	157.2	2.3	114.1	D139 D171 R175 G208	D139-R173 VanDerWaalsContact CG-NH2 3.32Å; D139-R173 IonicContact OD1-NE 2.65Å; D139-R173 IonicContact OD1-NH2 2.83Å; D139-R173 IonicContact OD2-CZ 3.92Å; D139-R173 IonicContact OD2-NE 2.93Å; D139-R173 IonicContact OD2-NH2 3.21Å; D139-R173 PolarHBondContact OD2-NH2 3.16Å; D171-R173 VanDerWaalsContact C-N 3.28Å; D171-R173 PolarHBondContact O-N 3Å; D171-R173 WeakPolarHBondContact OD1-CB 3.46Å; D171-R173 PolarHBondContact OD1-N 3.43Å; R173-R175 PolarHBondContact O-N 2.88Å; R173-R175 PolarHBondContact O-NH1 3Å; R173-G208 WeakPolarHBondContact CD-O 3.39Å
174	G	96.5	Very high	97.8	Very high	64 Å²	64	39 Å²	39	66%	0.66	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	7.6	179.6	0	0	0	0	0	114.9	F172	F172-G174 PolarHBondContact O-N 3.39Å
175	R	97.6	Very high	98	Very high	64 Å²	64	37.5 Å²	37.5	24%	0.242	21%	0.205	C	C	.	.			trans	-141.6	16.7	-171.5	-55.1	166.4	177.2	89.4	-9.9	112.9	D139 L141 R142 F172 R173 D177 R178 A179	D139-R175 PolarHBondContact O-NH2 3.49Å; L141-R175 VanDerWaalsContact O-CZ 3.27Å; L141-R175 PolarHBondContact O-NE 3.27Å; L141-R175 PolarHBondContact O-NH2 3.03Å; L141-R175 VanDerWaalsContact O-NH2 3.13Å; R142-R175 VanDerWaalsContact O-CD 3.23Å; R142-R175 WeakPolarHBondContact O-CD 3.3Å; R142-R175 PolarHBondContact O-NE 3.11Å; F172-R175 CarbonylContact O-C 3.52Å; F172-R175 VanDerWaalsContact O-CA 3.29Å; F172-R175 WeakPolarHBondContact O-CA 3.46Å; F172-R175 WeakPolarHBondContact O-CB 3.42Å; F172-R175 PolarHBondContact O-N 2.75Å; R173-R175 PolarHBondContact O-N 2.88Å; R173-R175 PolarHBondContact O-NH1 3Å; R175-D177 VanDerWaalsContact C-N 3.31Å; R175-D177 PolarHBondContact O-N 3.13Å; R175-R178 PolarHBondContact O-N 3.23Å; R175-A179 WeakPolarHBondContact O-CB 3.47Å; R175-A179 PolarHBondContact O-N 3Å
176	M	98.2	Very high	98	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-45.4	-175.5	178.4	-172.2	-58.1	0	0	111.9	F172 R178 A179 L180 W213 K216 L217	F172-M176 PolarHBondContact O-N 3.1Å; M176-R178 PolarHBondContact O-N 3.3Å; M176-A179 PolarHBondContact O-N 3.25Å; M176-L180 HydrophobicContact CG-CD1 3.66Å; M176-L180 HydrophobicContact CG-CG 4.1Å; M176-L180 WeakPolarHBondContact O-CB 3.43Å; M176-L180 WeakPolarHBondContact O-CG 3.15Å; M176-L180 PolarHBondContact O-N 2.99Å; M176-L180 HydrophobicContact SD-CD1 4.22Å; M176-W213 HydrophobicContact CB-CH2 4.03Å; M176-W213 HydrophobicContact CB-CZ2 3.48Å; M176-W213 VanDerWaalsContact CB-CZ2 3.48Å; M176-W213 HydrophobicContact CE-CD2 3.66Å; M176-W213 VanDerWaalsContact CE-CE2 3.48Å; M176-W213 HydrophobicContact CE-CE3 4.26Å; M176-W213 HydrophobicContact CE-CG 3.87Å; M176-W213 HydrophobicContact CE-CZ2 3.96Å; M176-W213 VanDerWaalsContact CE-O 3.23Å; M176-W213 WeakPolarHBondContact CE-O 3.39Å; M176-K216 HydrophobicContact CE-CB 4.24Å; M176-K216 HydrophobicContact CE-CG 4.44Å; M176-K216 HydrophobicContact SD-CG 4.19Å; M176-L217 HydrophobicContact CE-CB 3.97Å; M176-L217 HydrophobicContact CG-CD1 3.93Å; M176-L217 HydrophobicContact SD-CB 4.46Å
177	D	98.4	Very high	98	Very high	92 Å²	92	40.7 Å²	40.7	49%	0.492	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-55	179.6	-65.3	-47.3	0	0	0	111.4	R175 A179 L180 D181 R220	R175-D177 VanDerWaalsContact C-N 3.31Å; R175-D177 PolarHBondContact O-N 3.13Å; D177-A179 VanDerWaalsContact C-N 3.28Å; D177-A179 PolarHBondContact O-N 3.43Å; D177-L180 PolarHBondContact O-N 2.89Å; D177-D181 VanDerWaalsContact O-CG 3.25Å; D177-D181 PolarHBondContact O-N 3.08Å; D177-R220 IonicContact OD1-CZ 3.21Å; D177-R220 IonicContact OD1-NH1 2.63Å; D177-R220 PolarHBondContact OD1-NH1 2.83Å; D177-R220 IonicContact OD1-NH2 2.89Å; D177-R220 PolarHBondContact OD1-NH2 2.75Å
178	R	98.3	Very high	98	Very high	136 Å²	136	40.9 Å²	40.9	51%	0.513	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-38.6	179.2	-175.4	173.9	-176	135.1	7.2	112.6	D143 R175 M176 I182	D143-R178 HydrophobicContact CB-CG 4.17Å; R175-R178 PolarHBondContact O-N 3.23Å; M176-R178 PolarHBondContact O-N 3.3Å; R178-I182 HydrophobicContact CG-CD1 4.34Å; R178-I182 WeakPolarHBondContact O-CD1 3.45Å; R178-I182 WeakPolarHBondContact O-CG1 3.5Å; R178-I182 PolarHBondContact O-N 2.87Å
179	A	98.6	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-42	178.7	0	0	0	0	0	111.9	A146 F172 R175 M176 D177 I182 L183	A146-A179 HydrophobicContact CB-CB 3.67Å; F172-A179 HydrophobicContact CB-CB 3.63Å; F172-A179 HydrophobicContact CD1-CB 3.66Å; F172-A179 HydrophobicContact CD2-CB 3.46Å; F172-A179 VanDerWaalsContact CD2-CB 3.46Å; F172-A179 HydrophobicContact CE1-CB 4.14Å; F172-A179 HydrophobicContact CE2-CB 3.95Å; F172-A179 HydrophobicContact CG-CB 3.29Å; F172-A179 HydrophobicContact CZ-CB 4.27Å; R175-A179 WeakPolarHBondContact O-CB 3.47Å; R175-A179 PolarHBondContact O-N 3Å; M176-A179 PolarHBondContact O-N 3.25Å; D177-A179 VanDerWaalsContact C-N 3.28Å; D177-A179 PolarHBondContact O-N 3.43Å; A179-I182 PolarHBondContact O-N 3.42Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 WeakPolarHBondContact O-CD1 3.43Å; A179-L183 VanDerWaalsContact O-CG 3.25Å; A179-L183 WeakPolarHBondContact O-CG 3.41Å; A179-L183 PolarHBondContact O-N 3.01Å
180	L	98.5	Very high	98	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-46.3	176.3	-73.8	176.5	0	0	0	111.1	M176 D177 I182 L183 T184 L217 R220 F221	M176-L180 HydrophobicContact CG-CD1 3.66Å; M176-L180 HydrophobicContact CG-CG 4.1Å; M176-L180 WeakPolarHBondContact O-CB 3.43Å; M176-L180 WeakPolarHBondContact O-CG 3.15Å; M176-L180 PolarHBondContact O-N 2.99Å; M176-L180 HydrophobicContact SD-CD1 4.22Å; D177-L180 PolarHBondContact O-N 2.89Å; L180-I182 PolarHBondContact O-N 3.17Å; L180-I182 VanDerWaalsContact O-N 3.09Å; L180-L183 PolarHBondContact O-N 3.31Å; L180-T184 WeakPolarHBondContact O-CB 3.45Å; L180-T184 WeakPolarHBondContact O-CG2 3.1Å; L180-T184 PolarHBondContact O-N 2.71Å; L180-T184 PolarHBondContact O-OG1 3.01Å; L180-L217 HydrophobicContact CD2-CD1 3.82Å; L180-L217 HydrophobicContact CG-CD1 4.1Å; L180-R220 HydrophobicContact CD1-CB 3.53Å; L180-R220 HydrophobicContact CD1-CG 4.49Å; L180-F221 HydrophobicContact CD2-CB 3.93Å; L180-F221 HydrophobicContact CD2-CD2 4.17Å
181	D	98.2	Very high	98	Very high	113 Å²	113	40.7 Å²	40.7	60%	0.604	22%	0.224	S	C	*	.	H	α-helix	trans	-50.8	-39.3	177.3	-70.1	-18.3	0	0	0	112.2	D177 T184	D177-D181 VanDerWaalsContact O-CG 3.25Å; D177-D181 PolarHBondContact O-N 3.08Å; D181-T184 PolarHBondContact O-OG1 3Å
182	I	98.7	Very high	98	Very high	24 Å²	24	40.7 Å²	40.7	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-74.6	-50.7	177.8	-67.5	166.2	0	0	0	111.1	D143 A146 Q147 A150 R178 A179 L180 T184 A185 T186	D143-I182 HydrophobicContact CB-CD1 4.09Å; A146-I182 HydrophobicContact CB-CB 4.37Å; A146-I182 HydrophobicContact CB-CD1 4.13Å; A146-I182 HydrophobicContact CB-CG2 4.36Å; Q147-I182 HydrophobicContact CB-CD1 4.24Å; A150-I182 HydrophobicContact CB-CG2 3.68Å; R178-I182 HydrophobicContact CG-CD1 4.34Å; R178-I182 WeakPolarHBondContact O-CD1 3.45Å; R178-I182 WeakPolarHBondContact O-CG1 3.5Å; R178-I182 PolarHBondContact O-N 2.87Å; A179-I182 PolarHBondContact O-N 3.42Å; L180-I182 PolarHBondContact O-N 3.17Å; L180-I182 VanDerWaalsContact O-N 3.09Å; I182-T184 PolarHBondContact O-N 2.95Å; I182-A185 WeakPolarHBondContact O-CB 3.38Å; I182-A185 PolarHBondContact O-N 3Å; I182-T186 PolarHBondContact O-N 3.34Å
183	L	98.5	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-73.6	-26.3	-171.7	-68.4	166.8	0	0	0	113	A146 F149 V169 F172 A179 L180 T186 P187 F191 F221	A146-L183 HydrophobicContact CB-CD1 4.34Å; A146-L183 HydrophobicContact CB-CG 4.37Å; F149-L183 HydrophobicContact CB-CD2 3.82Å; V169-L183 HydrophobicContact CG1-CD1 4.35Å; F172-L183 HydrophobicContact CE2-CD1 3.59Å; F172-L183 HydrophobicContact CZ-CD1 3.61Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 WeakPolarHBondContact O-CD1 3.43Å; A179-L183 VanDerWaalsContact O-CG 3.25Å; A179-L183 WeakPolarHBondContact O-CG 3.41Å; A179-L183 PolarHBondContact O-N 3.01Å; L180-L183 PolarHBondContact O-N 3.31Å; L183-T186 CarbonylContact O-C 3.58Å; L183-T186 VanDerWaalsContact O-C 3.25Å; L183-T186 PolarHBondContact O-N 2.71Å; L183-P187 VanDerWaalsContact O-CA 3.3Å; L183-P187 WeakPolarHBondContact O-CA 3.49Å; L183-F191 HydrophobicContact CB-CE2 4.48Å; L183-F191 HydrophobicContact CD1-CE2 4.04Å; L183-F221 HydrophobicContact CB-CE2 4.48Å
184	T	97.9	Very high	98.1	Very high	37 Å²	37	35.6 Å²	35.6	23%	0.227	21%	0.206	C	C	.	.	H	α-helix	trans	-74.6	-27.1	171.4	56.9	0	0	0	0	111.8	L180 D181 I182 T186 F221 A224 H225	L180-T184 WeakPolarHBondContact O-CB 3.45Å; L180-T184 WeakPolarHBondContact O-CG2 3.1Å; L180-T184 PolarHBondContact O-N 2.71Å; L180-T184 PolarHBondContact O-OG1 3.01Å; D181-T184 PolarHBondContact O-OG1 3Å; I182-T184 PolarHBondContact O-N 2.95Å; T184-T186 VanDerWaalsContact C-N 3.33Å; T184-F221 HydrophobicContact CG2-CD2 4.23Å; T184-F221 HydrophobicContact CG2-CE2 4.36Å; T184-A224 HydrophobicContact CG2-CB 3.59Å; T184-H225 WeakPolarHBondContact CA-NE2 3.4Å; T184-H225 PolarHBondContact O-NE2 2.72Å
185	A	98.1	Very high	98.2	Very high	78 Å²	78	32.5 Å²	32.5	65%	0.645	17%	0.174	S	C	*	.	H	α-helix	trans	-73.7	-27.5	173.3	0	0	0	0	0	112.4	I182	I182-A185 WeakPolarHBondContact O-CB 3.38Å; I182-A185 PolarHBondContact O-N 3Å
186	T	97.6	Very high	98.3	Very high	36 Å²	36	30.7 Å²	30.7	22%	0.221	17%	0.168	C	C	.	.	S	Bend	trans	-129.8	67.1	-179.9	-46.8	0	0	0	0	111.2	A150 I153 I182 L183 T184	A150-T186 HydrophobicContact CB-CG2 4.26Å; I153-T186 HydrophobicContact CB-CG2 3.99Å; I153-T186 WeakPolarHBondContact CD1-O 3.43Å; I153-T186 HydrophobicContact CG2-CG2 3.77Å; I182-T186 PolarHBondContact O-N 3.34Å; L183-T186 CarbonylContact O-C 3.58Å; L183-T186 VanDerWaalsContact O-C 3.25Å; L183-T186 PolarHBondContact O-N 2.71Å; T184-T186 VanDerWaalsContact C-N 3.33Å
187	P	97.8	Very high	98.2	Very high	31 Å²	31	30.5 Å²	30.5	20%	0.201	17%	0.167	C	C	.	.			trans	-72.2	144.3	-169.2	28.1	-34.7	0	0	0	113.1	R157 L183 F221 I228	R157-P187 PolarHBondContact NH2-O 2.74Å; L183-P187 VanDerWaalsContact O-CA 3.3Å; L183-P187 WeakPolarHBondContact O-CA 3.49Å; P187-F221 HydrophobicContact CB-CZ 4.28Å; P187-I228 HydrophobicContact CB-CD1 3.39Å; P187-I228 HydrophobicContact CG-CD1 4.08Å
188	P	98.2	Very high	98.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.019	14%	0.144	C	C	.	.			trans	-72.3	177.1	168.3	35.7	-40	0	0	0	111.5	I153 I165 T167 V190 F191 F221	I153-P188 HydrophobicContact CD1-CB 4.44Å; I165-P188 WeakPolarHBondContact O-CB 3.49Å; T167-P188 HydrophobicContact CG2-CB 4.04Å; T167-P188 HydrophobicContact CG2-CG 4.49Å; T167-P188 WeakPolarHBondContact OG1-CG 3.45Å; P188-V190 WeakPolarHBondContact CB-O 3.46Å; P188-V190 WeakPolarHBondContact CG-O 3.29Å; P188-F191 HydrophobicContact CG-CB 4Å; P188-F191 HydrophobicContact CG-CD2 4.13Å; P188-F221 HydrophobicContact CG-CZ 4.43Å
189	D	97.7	Very high	98.3	Very high	37 Å²	37	23 Å²	23	20%	0.198	14%	0.141	C	C	.	.	S	Bend	trans	-80.4	-24.4	167	-62.5	-88.4	0	0	0	112.5	R157 K164 I165 P229	R157-D189 IonicContact NH2-OD2 3.69Å; K164-D189 WeakPolarHBondContact CA-OD2 3.41Å; K164-D189 HydrophobicContact CD-CB 3.97Å; K164-D189 WeakPolarHBondContact CD-OD1 3.49Å; K164-D189 IonicContact NZ-OD1 3.48Å; K164-D189 PolarHBondContact NZ-OD1 2.91Å; I165-D189 PolarHBondContact N-OD2 3.48Å; I165-D189 WeakPolarHBondContact O-CA 3.25Å; I165-D189 WeakPolarHBondContact O-CB 3.37Å; I165-D189 PolarHBondContact O-N 2.88Å; D189-P229 WeakPolarHBondContact O-CD 3.45Å
190	V	97.8	Very high	98.2	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	127.2	171.6	178.7	0	0	0	0	109	I165 E166 T167 P188 P229 K231 M259	I165-V190 PolarHBondContact O-N 2.78Å; E166-V190 WeakPolarHBondContact CA-O 3.06Å; E166-V190 HydrophobicContact CB-CB 3.97Å; E166-V190 HydrophobicContact CG-CB 3.88Å; E166-V190 HydrophobicContact CG-CG1 3.93Å; T167-V190 PolarHBondContact N-O 3.05Å; P188-V190 WeakPolarHBondContact CB-O 3.46Å; P188-V190 WeakPolarHBondContact CG-O 3.29Å; V190-P229 HydrophobicContact CG2-CB 4.45Å; V190-K231 HydrophobicContact CG1-CB 3.98Å; V190-K231 HydrophobicContact CG1-CD 4.21Å; V190-M259 HydrophobicContact CG1-SD 4.14Å; V190-M259 HydrophobicContact CG2-SD 4.45Å
191	F	98.6	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.7	176.8	-173.7	-91.6	0	0	0	110.5	V169 L183 P188 L217 L218 F221 P229 T230 K231	V169-F191 HydrophobicContact CG1-CE2 4.18Å; V169-F191 HydrophobicContact CG2-CE1 4.08Å; V169-F191 HydrophobicContact CG2-CE2 3.96Å; V169-F191 HydrophobicContact CG2-CZ 3.55Å; L183-F191 HydrophobicContact CB-CE2 4.48Å; L183-F191 HydrophobicContact CD1-CE2 4.04Å; P188-F191 HydrophobicContact CG-CB 4Å; P188-F191 HydrophobicContact CG-CD2 4.13Å; F191-L217 HydrophobicContact CE1-CG 4.32Å; F191-L217 HydrophobicContact CZ-CD1 4.41Å; F191-L217 HydrophobicContact CZ-CG 4.37Å; F191-L218 HydrophobicContact CD1-CD2 4.3Å; F191-L218 HydrophobicContact CE1-CD2 4.42Å; F191-F221 HydrophobicContact CB-CD1 3.5Å; F191-F221 VanDerWaalsContact CB-CD1 3.5Å; F191-F221 HydrophobicContact CB-CE1 3.29Å; F191-F221 HydrophobicContact CB-CE2 4.41Å; F191-F221 HydrophobicContact CB-CG 4.17Å; F191-F221 HydrophobicContact CB-CZ 3.8Å; F191-F221 HydrophobicContact CD1-CB 3.88Å; F191-F221 AromaticContact CD1-CD1 3.68Å; F191-F221 HydrophobicContact CD1-CD1 3.68Å; F191-F221 HydrophobicContact CD1-CD2 4.19Å; F191-F221 HydrophobicContact CD1-CE1 4.32Å; F191-F221 AromaticContact CD1-CG 3.61Å; F191-F221 HydrophobicContact CD1-CG 3.61Å; F191-F221 AromaticContact CD2-CD1 3.98Å; F191-F221 HydrophobicContact CD2-CD1 3.98Å; F191-F221 AromaticContact CD2-CD2 3.53Å; F191-F221 HydrophobicContact CD2-CD2 3.53Å; F191-F221 AromaticContact CD2-CE1 3.95Å; F191-F221 HydrophobicContact CD2-CE1 3.95Å; F191-F221 AromaticContact CD2-CE2 3.49Å; F191-F221 HydrophobicContact CD2-CE2 3.49Å; F191-F221 VanDerWaalsContact CD2-CE2 3.49Å; F191-F221 AromaticContact CD2-CG 3.79Å; F191-F221 HydrophobicContact CD2-CG 3.79Å; F191-F221 AromaticContact CD2-CZ 3.72Å; F191-F221 HydrophobicContact CD2-CZ 3.72Å; F191-F221 HydrophobicContact CE1-CB 3.75Å; F191-F221 HydrophobicContact CE1-CD1 4.36Å; F191-F221 HydrophobicContact CE1-CD2 4.21Å; F191-F221 AromaticContact CE1-CG 3.83Å; F191-F221 HydrophobicContact CE1-CG 3.83Å; F191-F221 AromaticContact CE2-CD2 3.54Å; F191-F221 HydrophobicContact CE2-CD2 3.54Å; F191-F221 AromaticContact CE2-CE2 3.84Å; F191-F221 HydrophobicContact CE2-CE2 3.84Å; F191-F221 AromaticContact CE2-CG 3.98Å; F191-F221 HydrophobicContact CE2-CG 3.98Å; F191-F221 HydrophobicContact CG-CB 4.36Å; F191-F221 AromaticContact CG-CD1 3.44Å; F191-F221 HydrophobicContact CG-CD1 3.44Å; F191-F221 VanDerWaalsContact CG-CD1 3.44Å; F191-F221 AromaticContact CG-CD2 3.85Å; F191-F221 HydrophobicContact CG-CD2 3.85Å; F191-F221 AromaticContact CG-CE1 3.62Å; F191-F221 HydrophobicContact CG-CE1 3.62Å; F191-F221 HydrophobicContact CG-CE2 4Å; F191-F221 AromaticContact CG-CG 3.58Å; F191-F221 HydrophobicContact CG-CG 3.58Å; F191-F221 AromaticContact CG-CZ 3.9Å; F191-F221 HydrophobicContact CG-CZ 3.9Å; F191-F221 HydrophobicContact CZ-CB 4.12Å; F191-F221 AromaticContact CZ-CD2 3.89Å; F191-F221 HydrophobicContact CZ-CD2 3.89Å; F191-F221 AromaticContact CZ-CG 4Å; F191-F221 HydrophobicContact CZ-CG 4Å; F191-P229 PolarHBondContact N-O 3.31Å; F191-T230 HydrophobicContact CB-CG2 4.36Å; F191-T230 HydrophobicContact CD1-CG2 4.34Å; F191-T230 CarbonylContact O-C 3.25Å; F191-T230 VanDerWaalsContact O-CA 3.24Å; F191-T230 WeakPolarHBondContact O-CA 3.45Å; F191-K231 PolarHBondContact O-N 3.27Å
192	N	98.6	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.3	-175.1	-171.7	-9.2	0	0	0	111	E166 T167 L168 V169 N194 K231	E166-N192 HydrophobicContact CG-CB 4.21Å; E166-N192 PolarHBondContact OE1-ND2 2.66Å; T167-N192 VanDerWaalsContact O-CA 3.29Å; T167-N192 WeakPolarHBondContact O-CA 3.49Å; T167-N192 WeakPolarHBondContact O-CB 3.49Å; T167-N192 PolarHBondContact O-N 3.49Å; T167-N192 VanDerWaalsContact O-O 3.12Å; L168-N192 CarbonylContact C-O 3.55Å; L168-N192 VanDerWaalsContact CA-O 3.29Å; L168-N192 WeakPolarHBondContact CA-O 3.39Å; L168-N192 HydrophobicContact CB-CB 4.37Å; L168-N192 HydrophobicContact CD1-CB 4.31Å; V169-N192 WeakPolarHBondContact CG2-O 3.39Å; V169-N192 PolarHBondContact N-O 3.05Å; N192-N194 PolarHBondContact OD1-OD1 2.72Å; N192-K231 VanDerWaalsContact CA-O 3.31Å; N192-K231 WeakPolarHBondContact CA-O 3.39Å; N192-K231 HydrophobicContact CB-CB 3.92Å; N192-K231 HydrophobicContact CB-CD 4.46Å; N192-K231 HydrophobicContact CB-CG 4.36Å; N192-K231 PolarHBondContact OD1-O 3.28Å; N192-K231 VanDerWaalsContact OD1-O 3.11Å
193	H	98.7	Very high	97.9	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	17%	0.17	C	C	.	.			trans	-140.2	121.9	164	178.7	72.4	0	0	0	108.4	V169 P170 D171 S214 L217 L218 K231 S232	V169-H193 HydrophobicContact CG2-CB 4.18Å; V169-H193 PolarHBondContact O-ND1 3.4Å; P170-H193 PolarHBondContact O-ND1 3.03Å; D171-H193 PolarHBondContact N-CE1 3.37Å; H193-S214 VanDerWaalsContact NE2-CB 3.31Å; H193-S214 WeakPolarHBondContact NE2-CB 3.45Å; H193-S214 PolarHBondContact NE2-OG 2.9Å; H193-L217 HydrophobicContact CB-CD2 4.13Å; H193-L218 HydrophobicContact CB-CD1 4.45Å; H193-L218 HydrophobicContact CB-CD2 3.81Å; H193-L218 HydrophobicContact CB-CG 4.08Å; H193-K231 PolarHBondContact N-O 3.48Å; H193-S232 WeakPolarHBondContact O-CA 3.44Å; H193-S232 VanDerWaalsContact O-CB 3.27Å; H193-S232 WeakPolarHBondContact O-CB 3.28Å; H193-S232 PolarHBondContact O-OG 3.04Å
194	N	98.6	Very high	97.7	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.053	19%	0.192	C	C	.	.			trans	-79.1	138.5	179.6	-67	-16.5	0	0	0	111.5	L168 N192 E196 R206 G233 S307	L168-N194 HydrophobicContact CD1-CB 4.48Å; N192-N194 PolarHBondContact OD1-OD1 2.72Å; N194-E196 HydrophobicContact CB-CG 3.94Å; N194-E196 WeakPolarHBondContact CB-OE1 3.42Å; N194-E196 PolarHBondContact ND2-OE1 3.44Å; N194-R206 PolarHBondContact O-NH1 3.42Å; N194-G233 VanDerWaalsContact OD1-CA 3.29Å; N194-G233 WeakPolarHBondContact OD1-CA 3.48Å; N194-G233 PolarHBondContact OD1-N 3.06Å; N194-S307 PolarHBondContact ND2-OG 3.18Å; N194-S307 PolarHBondContact OD1-OG 2.72Å
195	L	98.5	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.			trans	-79.6	-30.4	162.6	-91.4	64.1	0	0	0	111.9	N197 Y202 R206 Y211 L215 L218 S232 G233 L234 V248 L252	L195-N197 PolarHBondContact O-N 3.38Å; L195-Y202 WeakPolarHBondContact O-CE2 3.37Å; L195-R206 PolarHBondContact O-NH1 3.47Å; L195-Y211 HydrophobicContact CD2-CD2 4.17Å; L195-Y211 HydrophobicContact CD2-CE2 3.48Å; L195-Y211 VanDerWaalsContact CD2-CE2 3.48Å; L195-Y211 HydrophobicContact CG-CE2 4.32Å; L195-L215 HydrophobicContact CD1-CD2 4.28Å; L195-L215 HydrophobicContact CD2-CD2 3.66Å; L195-L215 HydrophobicContact CD2-CG 3.98Å; L195-L218 HydrophobicContact CD1-CD1 3.68Å; L195-S232 PolarHBondContact N-OG 3.35Å; L195-S232 VanDerWaalsContact N-OG 3.15Å; L195-G233 PolarHBondContact N-O 3.49Å; L195-L234 HydrophobicContact CB-CD2 3.84Å; L195-V248 HydrophobicContact CD2-CG1 3.75Å; L195-L252 HydrophobicContact CD1-CD2 3.72Å; L195-L252 HydrophobicContact CD2-CD2 3.85Å; L195-L252 HydrophobicContact CD2-CG 4.23Å; L195-L252 HydrophobicContact CG-CD2 4.34Å
196	E	98.2	Very high	97.5	Very high	26 Å²	26	33.7 Å²	33.7	12%	0.121	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	70.2	-43.7	-179.4	-48.5	-64	-175.2	0	0	115.6	F100 N194 G233 M235	F100-E196 HydrophobicContact CE1-CG 4.28Å; F100-E196 HydrophobicContact CZ-CB 4.45Å; F100-E196 HydrophobicContact CZ-CG 3.86Å; N194-E196 HydrophobicContact CB-CG 3.94Å; N194-E196 WeakPolarHBondContact CB-OE1 3.42Å; N194-E196 PolarHBondContact ND2-OE1 3.44Å; E196-G233 PolarHBondContact N-O 2.87Å; E196-M235 HydrophobicContact CB-CE 3.73Å; E196-M235 HydrophobicContact CG-CE 4.15Å; E196-M235 PolarHBondContact O-N 2.79Å; E196-M235 VanDerWaalsContact OE2-CE 3.23Å; E196-M235 WeakPolarHBondContact OE2-CE 3.15Å
197	N	97.8	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-158.7	-175.4	-178.5	-146.9	-78.5	0	0	0	113.1	L195 I201 V205 M235 E240	L195-N197 PolarHBondContact O-N 3.38Å; N197-I201 WeakPolarHBondContact OD1-CD1 3.31Å; N197-I201 WeakPolarHBondContact OD1-CG1 3.25Å; N197-V205 HydrophobicContact CB-CB 4.4Å; N197-V205 HydrophobicContact CB-CG1 4.22Å; N197-V205 HydrophobicContact CB-CG2 4.17Å; N197-M235 PolarHBondContact ND2-O 3.39Å; N197-E240 PolarHBondContact ND2-OE2 2.96Å
198	V	98.5	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.			trans	-84.1	154	-171.2	-50.1	0	0	0	0	112.6	R200 I201 Y202 E240 E244 I245 V248	V198-R200 VanDerWaalsContact C-N 3.31Å; V198-R200 HydrophobicContact CG2-CB 4.46Å; V198-R200 PolarHBondContact O-N 2.69Å; V198-I201 HydrophobicContact CG2-CG1 4.04Å; V198-I201 PolarHBondContact O-N 3.32Å; V198-Y202 PolarHBondContact O-N 2.74Å; V198-E240 HydrophobicContact CB-CB 4.44Å; V198-E240 HydrophobicContact CG1-CB 3.73Å; V198-E240 HydrophobicContact CG1-CG 4.33Å; V198-E240 HydrophobicContact CG2-CB 3.78Å; V198-E244 HydrophobicContact CB-CB 4.07Å; V198-E244 HydrophobicContact CG1-CB 3.7Å; V198-E244 HydrophobicContact CG2-CB 4.24Å; V198-I245 HydrophobicContact CG1-CD1 3.82Å; V198-I245 HydrophobicContact CG1-CG1 4.2Å; V198-V248 HydrophobicContact CB-CG2 4.12Å; V198-V248 HydrophobicContact CG1-CG2 3.88Å
199	P	98.3	Very high	97	Very high	70 Å²	70	33.9 Å²	33.9	46%	0.455	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-52.8	-41.8	-175.9	-29.2	34.8	0	0	0	114.6	I201 Y202 Y211	P199-I201 VanDerWaalsContact C-N 3.31Å; P199-I201 PolarHBondContact O-N 3.15Å; P199-Y202 WeakPolarHBondContact O-CB 3.45Å; P199-Y202 PolarHBondContact O-N 2.99Å; P199-Y211 HydrophobicContact CB-CG 4.42Å; P199-Y211 HydrophobicContact CG-CD1 3.86Å; P199-Y211 HydrophobicContact CG-CD2 3.89Å; P199-Y211 HydrophobicContact CG-CE1 3.68Å; P199-Y211 HydrophobicContact CG-CE2 3.72Å; P199-Y211 HydrophobicContact CG-CG 3.97Å
200	R	97.9	Very high	97	Very high	140 Å²	140	36.1 Å²	36.1	53%	0.528	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-56.7	-41	-176.3	178.9	177.1	54.8	81.2	1.8	113	V198 G239 E244	V198-R200 VanDerWaalsContact C-N 3.31Å; V198-R200 HydrophobicContact CG2-CB 4.46Å; V198-R200 PolarHBondContact O-N 2.69Å; R200-G239 PolarHBondContact NH2-O 2.95Å; R200-E244 IonicContact CZ-OE1 3.09Å; R200-E244 IonicContact CZ-OE2 3.04Å; R200-E244 IonicContact NE-OE1 3.41Å; R200-E244 PolarHBondContact NE-OE1 2.91Å; R200-E244 IonicContact NE-OE2 3.86Å; R200-E244 IonicContact NH2-OE1 2.62Å; R200-E244 PolarHBondContact NH2-OE1 3.04Å; R200-E244 IonicContact NH2-OE2 3.71Å; R200-E244 PolarHBondContact NH2-OE2 3.41Å
201	I	96.7	Very high	97.1	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-106.6	6.2	-179.1	70.8	175.3	0	0	0	113.1	N197 V198 P199 R203 Q204 V205 L238	N197-I201 WeakPolarHBondContact OD1-CD1 3.31Å; N197-I201 WeakPolarHBondContact OD1-CG1 3.25Å; V198-I201 HydrophobicContact CG2-CG1 4.04Å; V198-I201 PolarHBondContact O-N 3.32Å; P199-I201 VanDerWaalsContact C-N 3.31Å; P199-I201 PolarHBondContact O-N 3.15Å; I201-R203 VanDerWaalsContact C-N 3.31Å; I201-R203 PolarHBondContact O-N 3.22Å; I201-Q204 WeakPolarHBondContact O-CA 3.29Å; I201-Q204 WeakPolarHBondContact O-CB 3.23Å; I201-Q204 PolarHBondContact O-N 2.88Å; I201-V205 HydrophobicContact CD1-CG2 3.99Å; I201-V205 HydrophobicContact CG1-CG2 3.94Å; I201-V205 PolarHBondContact O-N 2.85Å; I201-L238 HydrophobicContact CD1-CB 4.07Å; I201-L238 WeakPolarHBondContact CD1-O 3.23Å
202	Y	97	Very high	97.1	Very high	8 Å²	8	41.6 Å²	41.6	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-56.1	-42.8	-173	-156	-96.4	0	0	0	113	L195 V198 P199 Q204 V205 R206 A209 Y211 S214	L195-Y202 WeakPolarHBondContact O-CE2 3.37Å; V198-Y202 PolarHBondContact O-N 2.74Å; P199-Y202 WeakPolarHBondContact O-CB 3.45Å; P199-Y202 PolarHBondContact O-N 2.99Å; Y202-Q204 VanDerWaalsContact C-N 3.26Å; Y202-Q204 PolarHBondContact O-N 2.67Å; Y202-V205 PolarHBondContact O-N 3.18Å; Y202-R206 HydrophobicContact CD1-CB 4.37Å; Y202-R206 HydrophobicContact CE1-CB 4.21Å; Y202-R206 CarbonylContact O-C 3.49Å; Y202-R206 WeakPolarHBondContact O-CA 3.47Å; Y202-R206 PolarHBondContact O-N 3.41Å; Y202-R206 PolarHBondContact OH-NH1 3.49Å; Y202-A209 HydrophobicContact CE1-CB 3.97Å; Y202-Y211 AromaticContact CD2-CD2 3.64Å; Y202-Y211 HydrophobicContact CD2-CD2 3.64Å; Y202-Y211 HydrophobicContact CD2-CG 4.33Å; Y202-Y211 AromaticContact CE2-CD2 3.6Å; Y202-Y211 HydrophobicContact CE2-CD2 3.6Å; Y202-Y211 HydrophobicContact CE2-CG 4.33Å; Y202-Y211 HydrophobicContact CG-CD2 4.38Å; Y202-S214 WeakPolarHBondContact OH-CB 3.45Å; Y202-S214 PolarHBondContact OH-OG 2.64Å
203	R	94.1	Very high	97.1	Very high	206 Å²	206	45.4 Å²	45.4	78%	0.777	22%	0.217	S	C	*	.	H	α-helix	trans	-65.9	-27.7	177.5	-173.9	172.8	178.1	159.8	-0.3	113.2	I201 P207	I201-R203 VanDerWaalsContact C-N 3.31Å; I201-R203 PolarHBondContact O-N 3.22Å; R203-P207 VanDerWaalsContact O-CA 3.23Å; R203-P207 WeakPolarHBondContact O-CA 3.03Å; R203-P207 WeakPolarHBondContact O-CB 3.29Å
204	Q	94.2	Very high	97.1	Very high	103 Å²	103	45.3 Å²	45.3	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-76.7	-43.4	176.8	-57.8	179.2	19.5	0	0	110.6	I201 Y202	I201-Q204 WeakPolarHBondContact O-CA 3.29Å; I201-Q204 WeakPolarHBondContact O-CB 3.23Å; I201-Q204 PolarHBondContact O-N 2.88Å; Y202-Q204 VanDerWaalsContact C-N 3.26Å; Y202-Q204 PolarHBondContact O-N 2.67Å
205	V	95.7	Very high	97.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-76.7	-38.1	-178.9	-177.7	0	0	0	0	111.8	P99 F100 N197 I201 Y202 L238 L273	P99-V205 VanDerWaalsContact CD-O 3.26Å; P99-V205 WeakPolarHBondContact CD-O 3.28Å; F100-V205 HydrophobicContact CD1-CG1 3.49Å; F100-V205 VanDerWaalsContact CD1-CG1 3.49Å; F100-V205 VanDerWaalsContact CD1-O 3.31Å; F100-V205 WeakPolarHBondContact CD1-O 3.44Å; F100-V205 HydrophobicContact CE1-CG1 3.95Å; F100-V205 HydrophobicContact CG-CG1 4.33Å; N197-V205 HydrophobicContact CB-CB 4.4Å; N197-V205 HydrophobicContact CB-CG1 4.22Å; N197-V205 HydrophobicContact CB-CG2 4.17Å; I201-V205 HydrophobicContact CD1-CG2 3.99Å; I201-V205 HydrophobicContact CG1-CG2 3.94Å; I201-V205 PolarHBondContact O-N 2.85Å; Y202-V205 PolarHBondContact O-N 3.18Å; V205-L238 HydrophobicContact CG1-CD1 3.95Å; V205-L238 HydrophobicContact CG2-CB 4.48Å; V205-L238 HydrophobicContact CG2-CD1 4.04Å; V205-L273 HydrophobicContact CG2-CD1 4.26Å
206	R	96.5	Very high	97.1	Very high	20 Å²	20	50.1 Å²	50.1	8%	0.075	24%	0.237	C	C	.	.			trans	-136.3	69.8	-175.1	-62.4	-179.2	73.6	177.1	5.4	111.5	F100 N194 L195 Y202 G208 A209	F100-R206 HydrophobicContact CE1-CG 3.91Å; N194-R206 PolarHBondContact O-NH1 3.42Å; L195-R206 PolarHBondContact O-NH1 3.47Å; Y202-R206 HydrophobicContact CD1-CB 4.37Å; Y202-R206 HydrophobicContact CE1-CB 4.21Å; Y202-R206 CarbonylContact O-C 3.49Å; Y202-R206 WeakPolarHBondContact O-CA 3.47Å; Y202-R206 PolarHBondContact O-N 3.41Å; Y202-R206 PolarHBondContact OH-NH1 3.49Å; R206-G208 PolarHBondContact O-N 2.92Å; R206-A209 HydrophobicContact CB-CB 3.91Å; R206-A209 PolarHBondContact O-N 3.18Å
207	P	94.1	Very high	97.1	Very high	35 Å²	35	48.9 Å²	48.9	23%	0.227	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15	-176.3	24.4	-34.9	0	0	0	114.9	P23 V24 P99 R203	P23-P207 HydrophobicContact CG-CB 3.71Å; P23-P207 HydrophobicContact CG-CG 4.24Å; V24-P207 HydrophobicContact CG2-CB 4.11Å; P99-P207 HydrophobicContact CG-CG 4.4Å; R203-P207 VanDerWaalsContact O-CA 3.23Å; R203-P207 WeakPolarHBondContact O-CA 3.03Å; R203-P207 WeakPolarHBondContact O-CB 3.29Å
208	G	93.4	Very high	97.1	Very high	20 Å²	20	48.9 Å²	48.9	21%	0.206	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.9	177.5	0	0	0	0	0	115.1	R96 R173 R206	R96-G208 PolarHBondContact NH1-O 3.18Å; R173-G208 WeakPolarHBondContact CD-O 3.39Å; R206-G208 PolarHBondContact O-N 2.92Å
209	A	96.4	Very high	97.2	Very high	19 Å²	19	51.8 Å²	51.8	16%	0.157	25%	0.245	C	C	.	.			trans	-117.7	164.9	-178	0	0	0	0	0	111.1	D171 Y202 R206	D171-A209 WeakPolarHBondContact OD2-CB 3.23Å; Y202-A209 HydrophobicContact CE1-CB 3.97Å; R206-A209 HydrophobicContact CB-CB 3.91Å; R206-A209 PolarHBondContact O-N 3.18Å
210	D	97.8	Very high	97.2	Very high	84 Å²	84	52 Å²	52	45%	0.449	24%	0.236	S	C	.	.			trans	-124.4	137.9	175.4	176.7	-94.3	0	0	0	110.4	N212 W213 S214	D210-N212 PolarHBondContact OD1-N 3.01Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å; D210-W213 HydrophobicContact CB-CB 3.75Å; D210-W213 PolarHBondContact O-N 3.02Å; D210-W213 PolarHBondContact OD1-N 2.87Å; D210-S214 PolarHBondContact O-N 2.97Å; D210-S214 PolarHBondContact O-OG 2.81Å
211	Y	98.7	Very high	97.2	Very high	13 Å²	13	45.3 Å²	45.3	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-48	-173.8	179.5	-94.1	0	0	0	111.7	L195 P199 Y202 S214 L215 V248 D251	L195-Y211 HydrophobicContact CD2-CD2 4.17Å; L195-Y211 HydrophobicContact CD2-CE2 3.48Å; L195-Y211 VanDerWaalsContact CD2-CE2 3.48Å; L195-Y211 HydrophobicContact CG-CE2 4.32Å; P199-Y211 HydrophobicContact CB-CG 4.42Å; P199-Y211 HydrophobicContact CG-CD1 3.86Å; P199-Y211 HydrophobicContact CG-CD2 3.89Å; P199-Y211 HydrophobicContact CG-CE1 3.68Å; P199-Y211 HydrophobicContact CG-CE2 3.72Å; P199-Y211 HydrophobicContact CG-CG 3.97Å; Y202-Y211 AromaticContact CD2-CD2 3.64Å; Y202-Y211 HydrophobicContact CD2-CD2 3.64Å; Y202-Y211 HydrophobicContact CD2-CG 4.33Å; Y202-Y211 AromaticContact CE2-CD2 3.6Å; Y202-Y211 HydrophobicContact CE2-CD2 3.6Å; Y202-Y211 HydrophobicContact CE2-CG 4.33Å; Y202-Y211 HydrophobicContact CG-CD2 4.38Å; Y211-S214 PolarHBondContact O-N 2.79Å; Y211-L215 HydrophobicContact CD1-CD1 3.82Å; Y211-L215 HydrophobicContact CE1-CD1 3.25Å; Y211-L215 HydrophobicContact CE1-CG 4.2Å; Y211-L215 PolarHBondContact O-N 2.86Å; Y211-L215 VanDerWaalsContact O-N 3.08Å; Y211-V248 HydrophobicContact CE2-CG1 4.26Å; Y211-V248 HydrophobicContact CE2-CG2 4.1Å; Y211-D251 WeakPolarHBondContact OH-CB 3.25Å; Y211-D251 PolarHBondContact OH-OD2 3.24Å; Y211-D251 VanDerWaalsContact OH-OD2 3.09Å
212	N	98.5	Very high	97.3	Very high	108 Å²	108	46.8 Å²	46.8	58%	0.578	22%	0.218	S	C	*	.	H	α-helix	trans	-71.1	-34.5	-178.8	-65.5	-44.5	0	0	0	111.3	D210 L215 K216	D210-N212 PolarHBondContact OD1-N 3.01Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å; N212-L215 PolarHBondContact O-N 2.84Å; N212-K216 VanDerWaalsContact O-CB 3.28Å; N212-K216 WeakPolarHBondContact O-CB 3.46Å; N212-K216 PolarHBondContact O-N 3.29Å
213	W	98.5	Very high	97.4	Very high	81 Å²	81	52.7 Å²	52.7	31%	0.307	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-44	172.7	-174.4	-80	0	0	0	111.8	D171 M176 D210 K216 L217	D171-W213 PolarHBondContact O-NE1 2.86Å; M176-W213 HydrophobicContact CB-CH2 4.03Å; M176-W213 HydrophobicContact CB-CZ2 3.48Å; M176-W213 VanDerWaalsContact CB-CZ2 3.48Å; M176-W213 HydrophobicContact CE-CD2 3.66Å; M176-W213 VanDerWaalsContact CE-CE2 3.48Å; M176-W213 HydrophobicContact CE-CE3 4.26Å; M176-W213 HydrophobicContact CE-CG 3.87Å; M176-W213 HydrophobicContact CE-CZ2 3.96Å; M176-W213 VanDerWaalsContact CE-O 3.23Å; M176-W213 WeakPolarHBondContact CE-O 3.39Å; D210-W213 HydrophobicContact CB-CB 3.75Å; D210-W213 PolarHBondContact O-N 3.02Å; D210-W213 PolarHBondContact OD1-N 2.87Å; W213-K216 PolarHBondContact O-N 3.36Å; W213-L217 PolarHBondContact O-N 2.93Å
214	S	98.7	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-42.7	175.6	-76.5	0	0	0	0	112.5	H193 Y202 D210 Y211 L217 L218	H193-S214 VanDerWaalsContact NE2-CB 3.31Å; H193-S214 WeakPolarHBondContact NE2-CB 3.45Å; H193-S214 PolarHBondContact NE2-OG 2.9Å; Y202-S214 WeakPolarHBondContact OH-CB 3.45Å; Y202-S214 PolarHBondContact OH-OG 2.64Å; D210-S214 PolarHBondContact O-N 2.97Å; D210-S214 PolarHBondContact O-OG 2.81Å; Y211-S214 PolarHBondContact O-N 2.79Å; S214-L217 PolarHBondContact O-N 3.05Å; S214-L218 PolarHBondContact O-N 3Å
215	L	98.8	Very high	97.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-45.9	174.4	-76.8	173	0	0	0	112.1	L195 Y211 N212 L217 L218 E219 D251 L252 H255	L195-L215 HydrophobicContact CD1-CD2 4.28Å; L195-L215 HydrophobicContact CD2-CD2 3.66Å; L195-L215 HydrophobicContact CD2-CG 3.98Å; Y211-L215 HydrophobicContact CD1-CD1 3.82Å; Y211-L215 HydrophobicContact CE1-CD1 3.25Å; Y211-L215 HydrophobicContact CE1-CG 4.2Å; Y211-L215 PolarHBondContact O-N 2.86Å; Y211-L215 VanDerWaalsContact O-N 3.08Å; N212-L215 PolarHBondContact O-N 2.84Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 PolarHBondContact O-N 2.89Å; L215-L218 WeakPolarHBondContact O-CB 3.34Å; L215-L218 PolarHBondContact O-N 3.29Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L215-E219 PolarHBondContact O-N 3.3Å; L215-D251 HydrophobicContact CD1-CB 4.15Å; L215-D251 HydrophobicContact CD2-CB 4.38Å; L215-L252 HydrophobicContact CD2-CD2 4.11Å; L215-H255 HydrophobicContact CD2-CB 4.31Å
216	K	98.7	Very high	97.8	Very high	109 Å²	109	45.9 Å²	45.9	47%	0.474	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-32	-179.2	-171.6	167.1	-173.3	171.7	0	113	M176 N212 W213 R220	M176-K216 HydrophobicContact CE-CB 4.24Å; M176-K216 HydrophobicContact CE-CG 4.44Å; M176-K216 HydrophobicContact SD-CG 4.19Å; N212-K216 VanDerWaalsContact O-CB 3.28Å; N212-K216 WeakPolarHBondContact O-CB 3.46Å; N212-K216 PolarHBondContact O-N 3.29Å; W213-K216 PolarHBondContact O-N 3.36Å; K216-R220 HydrophobicContact CG-CG 4.26Å; K216-R220 WeakPolarHBondContact O-CB 3.48Å; K216-R220 WeakPolarHBondContact O-CG 3.49Å; K216-R220 PolarHBondContact O-N 3.06Å
217	L	98.8	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-47.7	172.7	176.9	67.2	0	0	0	111.2	V169 P170 F172 M176 L180 F191 H193 W213 S214 L215 F221	V169-L217 HydrophobicContact CG2-CD2 4.15Å; P170-L217 WeakPolarHBondContact O-CD2 3.43Å; F172-L217 HydrophobicContact CD2-CD1 4.19Å; F172-L217 HydrophobicContact CD2-CD2 4.33Å; M176-L217 HydrophobicContact CE-CB 3.97Å; M176-L217 HydrophobicContact CG-CD1 3.93Å; M176-L217 HydrophobicContact SD-CB 4.46Å; L180-L217 HydrophobicContact CD2-CD1 3.82Å; L180-L217 HydrophobicContact CG-CD1 4.1Å; F191-L217 HydrophobicContact CE1-CG 4.32Å; F191-L217 HydrophobicContact CZ-CD1 4.41Å; F191-L217 HydrophobicContact CZ-CG 4.37Å; H193-L217 HydrophobicContact CB-CD2 4.13Å; W213-L217 PolarHBondContact O-N 2.93Å; S214-L217 PolarHBondContact O-N 3.05Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 PolarHBondContact O-N 2.89Å; L217-F221 PolarHBondContact O-N 3.06Å; L217-F221 VanDerWaalsContact O-N 3.14Å
218	L	98.8	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-44.5	-179.7	-71.1	162.6	0	0	0	111.5	F191 H193 L195 S214 L215 K222 L252 V257	F191-L218 HydrophobicContact CD1-CD2 4.3Å; F191-L218 HydrophobicContact CE1-CD2 4.42Å; H193-L218 HydrophobicContact CB-CD1 4.45Å; H193-L218 HydrophobicContact CB-CD2 3.81Å; H193-L218 HydrophobicContact CB-CG 4.08Å; L195-L218 HydrophobicContact CD1-CD1 3.68Å; S214-L218 PolarHBondContact O-N 3Å; L215-L218 WeakPolarHBondContact O-CB 3.34Å; L215-L218 PolarHBondContact O-N 3.29Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L218-K222 WeakPolarHBondContact O-CB 3.35Å; L218-K222 PolarHBondContact O-N 2.99Å; L218-L252 HydrophobicContact CD1-CD2 4.16Å; L218-V257 HydrophobicContact CB-CG2 3.89Å; L218-V257 HydrophobicContact CD1-CG2 3.76Å; L218-V257 HydrophobicContact CD2-CG2 4.35Å; L218-V257 HydrophobicContact CG-CG2 4.22Å
219	E	98.8	Very high	98.3	Very high	62 Å²	62	51.2 Å²	51.2	29%	0.29	26%	0.26	S	S	.	.	H	α-helix	trans	-56.3	-55.3	176.5	-178.9	179.3	-135.4	0	0	111.1	L215 F221 K222 E223 H255	L215-E219 PolarHBondContact O-N 3.3Å; E219-F221 PolarHBondContact O-N 2.67Å; E219-K222 CarbonylContact O-C 3.58Å; E219-K222 WeakPolarHBondContact O-CA 3.5Å; E219-K222 WeakPolarHBondContact O-CB 3.22Å; E219-K222 PolarHBondContact O-N 3.12Å; E219-E223 WeakPolarHBondContact O-CG 3.38Å; E219-E223 PolarHBondContact O-N 3.42Å; E219-H255 WeakPolarHBondContact CA-O 3.39Å; E219-H255 HydrophobicContact CB-CB 4.04Å; E219-H255 IonicContact OE1-CD2 2.72Å; E219-H255 IonicContact OE2-CD2 3.52Å
220	R	98.7	Very high	98.4	Very high	73 Å²	73	50.3 Å²	50.3	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-67.4	-34.4	-175.2	-71.3	-175.1	67.1	-166.4	3.3	113.6	D177 L180 K216 K222 A224	D177-R220 IonicContact OD1-CZ 3.21Å; D177-R220 IonicContact OD1-NH1 2.63Å; D177-R220 PolarHBondContact OD1-NH1 2.83Å; D177-R220 IonicContact OD1-NH2 2.89Å; D177-R220 PolarHBondContact OD1-NH2 2.75Å; L180-R220 HydrophobicContact CD1-CB 3.53Å; L180-R220 HydrophobicContact CD1-CG 4.49Å; K216-R220 HydrophobicContact CG-CG 4.26Å; K216-R220 WeakPolarHBondContact O-CB 3.48Å; K216-R220 WeakPolarHBondContact O-CG 3.49Å; K216-R220 PolarHBondContact O-N 3.06Å; R220-K222 VanDerWaalsContact C-N 3.33Å; R220-A224 PolarHBondContact O-N 2.72Å
221	F	98.8	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-42.7	171.3	-174.3	-86	0	0	0	110.7	L180 L183 T184 P187 P188 F191 L217 E219 E223 A224 H225 I228 T230	L180-F221 HydrophobicContact CD2-CB 3.93Å; L180-F221 HydrophobicContact CD2-CD2 4.17Å; L183-F221 HydrophobicContact CB-CE2 4.48Å; T184-F221 HydrophobicContact CG2-CD2 4.23Å; T184-F221 HydrophobicContact CG2-CE2 4.36Å; P187-F221 HydrophobicContact CB-CZ 4.28Å; P188-F221 HydrophobicContact CG-CZ 4.43Å; F191-F221 HydrophobicContact CB-CD1 3.5Å; F191-F221 VanDerWaalsContact CB-CD1 3.5Å; F191-F221 HydrophobicContact CB-CE1 3.29Å; F191-F221 HydrophobicContact CB-CE2 4.41Å; F191-F221 HydrophobicContact CB-CG 4.17Å; F191-F221 HydrophobicContact CB-CZ 3.8Å; F191-F221 HydrophobicContact CD1-CB 3.88Å; F191-F221 AromaticContact CD1-CD1 3.68Å; F191-F221 HydrophobicContact CD1-CD1 3.68Å; F191-F221 HydrophobicContact CD1-CD2 4.19Å; F191-F221 HydrophobicContact CD1-CE1 4.32Å; F191-F221 AromaticContact CD1-CG 3.61Å; F191-F221 HydrophobicContact CD1-CG 3.61Å; F191-F221 AromaticContact CD2-CD1 3.98Å; F191-F221 HydrophobicContact CD2-CD1 3.98Å; F191-F221 AromaticContact CD2-CD2 3.53Å; F191-F221 HydrophobicContact CD2-CD2 3.53Å; F191-F221 AromaticContact CD2-CE1 3.95Å; F191-F221 HydrophobicContact CD2-CE1 3.95Å; F191-F221 AromaticContact CD2-CE2 3.49Å; F191-F221 HydrophobicContact CD2-CE2 3.49Å; F191-F221 VanDerWaalsContact CD2-CE2 3.49Å; F191-F221 AromaticContact CD2-CG 3.79Å; F191-F221 HydrophobicContact CD2-CG 3.79Å; F191-F221 AromaticContact CD2-CZ 3.72Å; F191-F221 HydrophobicContact CD2-CZ 3.72Å; F191-F221 HydrophobicContact CE1-CB 3.75Å; F191-F221 HydrophobicContact CE1-CD1 4.36Å; F191-F221 HydrophobicContact CE1-CD2 4.21Å; F191-F221 AromaticContact CE1-CG 3.83Å; F191-F221 HydrophobicContact CE1-CG 3.83Å; F191-F221 AromaticContact CE2-CD2 3.54Å; F191-F221 HydrophobicContact CE2-CD2 3.54Å; F191-F221 AromaticContact CE2-CE2 3.84Å; F191-F221 HydrophobicContact CE2-CE2 3.84Å; F191-F221 AromaticContact CE2-CG 3.98Å; F191-F221 HydrophobicContact CE2-CG 3.98Å; F191-F221 HydrophobicContact CG-CB 4.36Å; F191-F221 AromaticContact CG-CD1 3.44Å; F191-F221 HydrophobicContact CG-CD1 3.44Å; F191-F221 VanDerWaalsContact CG-CD1 3.44Å; F191-F221 AromaticContact CG-CD2 3.85Å; F191-F221 HydrophobicContact CG-CD2 3.85Å; F191-F221 AromaticContact CG-CE1 3.62Å; F191-F221 HydrophobicContact CG-CE1 3.62Å; F191-F221 HydrophobicContact CG-CE2 4Å; F191-F221 AromaticContact CG-CG 3.58Å; F191-F221 HydrophobicContact CG-CG 3.58Å; F191-F221 AromaticContact CG-CZ 3.9Å; F191-F221 HydrophobicContact CG-CZ 3.9Å; F191-F221 HydrophobicContact CZ-CB 4.12Å; F191-F221 AromaticContact CZ-CD2 3.89Å; F191-F221 HydrophobicContact CZ-CD2 3.89Å; F191-F221 AromaticContact CZ-CG 4Å; F191-F221 HydrophobicContact CZ-CG 4Å; L217-F221 PolarHBondContact O-N 3.06Å; L217-F221 VanDerWaalsContact O-N 3.14Å; E219-F221 PolarHBondContact O-N 2.67Å; F221-E223 PolarHBondContact O-N 2.79Å; F221-A224 PolarHBondContact O-N 3.1Å; F221-H225 HydrophobicContact CE1-CB 4.16Å; F221-H225 HydrophobicContact CZ-CB 4.42Å; F221-H225 PolarHBondContact O-N 3.1Å; F221-I228 HydrophobicContact CE1-CB 4.14Å; F221-I228 HydrophobicContact CE1-CD1 4.39Å; F221-I228 HydrophobicContact CE1-CG2 3.89Å; F221-I228 HydrophobicContact CZ-CD1 4.25Å; F221-I228 HydrophobicContact CZ-CG2 4.45Å; F221-T230 HydrophobicContact CD1-CG2 3.94Å
222	K	98.4	Very high	98.4	Very high	38 Å²	38	45.7 Å²	45.7	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-36.4	178.9	-171.7	60.3	174	177.7	0	112.8	L218 E219 R220 A224 H225 P226 I228 T230	L218-K222 WeakPolarHBondContact O-CB 3.35Å; L218-K222 PolarHBondContact O-N 2.99Å; E219-K222 CarbonylContact O-C 3.58Å; E219-K222 WeakPolarHBondContact O-CA 3.5Å; E219-K222 WeakPolarHBondContact O-CB 3.22Å; E219-K222 PolarHBondContact O-N 3.12Å; R220-K222 VanDerWaalsContact C-N 3.33Å; K222-A224 VanDerWaalsContact C-N 3.34Å; K222-H225 CarbonylContact O-C 3.21Å; K222-H225 PolarHBondContact O-N 3.48Å; K222-P226 WeakPolarHBondContact CE-O 3.23Å; K222-P226 PolarHBondContact NZ-O 3.3Å; K222-P226 VanDerWaalsContact O-CA 3.27Å; K222-P226 WeakPolarHBondContact O-CA 3.3Å; K222-P226 VanDerWaalsContact O-N 3.1Å; K222-I228 PolarHBondContact NZ-O 3.17Å; K222-T230 HydrophobicContact CB-CG2 4.01Å; K222-T230 HydrophobicContact CD-CG2 4.08Å
223	E	98.4	Very high	98.4	Very high	131 Å²	131	40.6 Å²	40.6	61%	0.612	20%	0.202	S	C	*	.	H	α-helix	trans	-62.9	-40.3	173.8	-71.4	175.3	154.4	0	0	111.9	E219 F221	E219-E223 WeakPolarHBondContact O-CG 3.38Å; E219-E223 PolarHBondContact O-N 3.42Å; F221-E223 PolarHBondContact O-N 2.79Å
224	A	98.1	Very high	98.4	Very high	54 Å²	54	37 Å²	37	45%	0.446	19%	0.188	S	C	.	.	H	α-helix	trans	-73.5	-34.6	178.3	0	0	0	0	0	113.2	T184 R220 F221 K222	T184-A224 HydrophobicContact CG2-CB 3.59Å; R220-A224 PolarHBondContact O-N 2.72Å; F221-A224 PolarHBondContact O-N 3.1Å; K222-A224 VanDerWaalsContact C-N 3.34Å
225	H	98.1	Very high	98.4	Very high	31 Å²	31	38.3 Å²	38.3	14%	0.144	20%	0.195	C	C	.	.			trans	-130.7	76.7	178.2	-73	-74	0	0	0	112.4	T184 F221 K222 E227 I228	T184-H225 WeakPolarHBondContact CA-NE2 3.4Å; T184-H225 PolarHBondContact O-NE2 2.72Å; F221-H225 HydrophobicContact CE1-CB 4.16Å; F221-H225 HydrophobicContact CZ-CB 4.42Å; F221-H225 PolarHBondContact O-N 3.1Å; K222-H225 CarbonylContact O-C 3.21Å; K222-H225 PolarHBondContact O-N 3.48Å; H225-E227 IonicContact CG-OE1 3.69Å; H225-E227 IonicContact ND1-OE1 2.95Å; H225-E227 PolarHBondContact ND1-OE1 3.36Å; H225-E227 PolarHBondContact O-N 2.85Å; H225-E227 VanDerWaalsContact O-N 3.15Å; H225-I228 HydrophobicContact CB-CB 4Å; H225-I228 HydrophobicContact CB-CD1 3.62Å; H225-I228 HydrophobicContact CB-CG1 3.81Å; H225-I228 PolarHBondContact O-N 2.95Å; H225-I228 VanDerWaalsContact O-N 3.09Å
226	P	98	Very high	98.4	Very high	84 Å²	84	38.2 Å²	38.2	55%	0.545	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.5	-177.8	-23.8	35	0	0	0	113.9	K222	K222-P226 WeakPolarHBondContact CE-O 3.23Å; K222-P226 PolarHBondContact NZ-O 3.3Å; K222-P226 VanDerWaalsContact O-CA 3.27Å; K222-P226 WeakPolarHBondContact O-CA 3.3Å; K222-P226 VanDerWaalsContact O-N 3.1Å
227	E	97.8	Very high	98.3	Very high	131 Å²	131	33 Å²	33	61%	0.612	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.7	178.6	74.3	-70.3	170.9	0	0	113.6	H225	H225-E227 IonicContact CG-OE1 3.69Å; H225-E227 IonicContact ND1-OE1 2.95Å; H225-E227 PolarHBondContact ND1-OE1 3.36Å; H225-E227 PolarHBondContact O-N 2.85Å; H225-E227 VanDerWaalsContact O-N 3.15Å
228	I	97.8	Very high	98.2	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	18%	0.175	C	C	.	.	S	Bend	trans	-86.4	126.1	-175.5	-60.6	-178.8	0	0	0	109.6	P187 F221 K222 H225 T230	P187-I228 HydrophobicContact CB-CD1 3.39Å; P187-I228 HydrophobicContact CG-CD1 4.08Å; F221-I228 HydrophobicContact CE1-CB 4.14Å; F221-I228 HydrophobicContact CE1-CD1 4.39Å; F221-I228 HydrophobicContact CE1-CG2 3.89Å; F221-I228 HydrophobicContact CZ-CD1 4.25Å; F221-I228 HydrophobicContact CZ-CG2 4.45Å; K222-I228 PolarHBondContact NZ-O 3.17Å; H225-I228 HydrophobicContact CB-CB 4Å; H225-I228 HydrophobicContact CB-CD1 3.62Å; H225-I228 HydrophobicContact CB-CG1 3.81Å; H225-I228 PolarHBondContact O-N 2.95Å; H225-I228 VanDerWaalsContact O-N 3.09Å; I228-T230 PolarHBondContact O-N 3.3Å
229	P	97.9	Very high	98.1	Very high	43 Å²	43	35.2 Å²	35.2	28%	0.279	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-59.9	127.8	172.8	-23.4	33.6	0	0	0	111.3	D189 V190 F191 T258 M259	D189-P229 WeakPolarHBondContact O-CD 3.45Å; V190-P229 HydrophobicContact CG2-CB 4.45Å; F191-P229 PolarHBondContact N-O 3.31Å; P229-T258 WeakPolarHBondContact CA-OG1 3.29Å; P229-M259 HydrophobicContact CB-CG 4.39Å; P229-M259 HydrophobicContact CB-SD 3.83Å
230	T	98.4	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.7	168.3	43.3	0	0	0	0	109.8	F191 F221 K222 I228 G256 V257 T258 M259	F191-T230 HydrophobicContact CB-CG2 4.36Å; F191-T230 HydrophobicContact CD1-CG2 4.34Å; F191-T230 CarbonylContact O-C 3.25Å; F191-T230 VanDerWaalsContact O-CA 3.24Å; F191-T230 WeakPolarHBondContact O-CA 3.45Å; F221-T230 HydrophobicContact CD1-CG2 3.94Å; K222-T230 HydrophobicContact CB-CG2 4.01Å; K222-T230 HydrophobicContact CD-CG2 4.08Å; I228-T230 PolarHBondContact O-N 3.3Å; T230-G256 PolarHBondContact OG1-O 3.3Å; T230-V257 VanDerWaalsContact OG1-CA 3.3Å; T230-V257 WeakPolarHBondContact OG1-CA 3.39Å; T230-T258 PolarHBondContact N-OG1 3.24Å; T230-T258 PolarHBondContact O-N 3.06Å; T230-T258 PolarHBondContact O-OG1 3.2Å; T230-M259 PolarHBondContact O-N 2.89Å
231	K	98.5	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.5	-173.4	-176	171.8	168.8	-168.6	0	111.2	E166 V190 F191 N192 H193 M259 S307 Q314	E166-K231 WeakPolarHBondContact OE1-CD 3.37Å; E166-K231 WeakPolarHBondContact OE1-CE 3.46Å; E166-K231 IonicContact OE1-NZ 2.97Å; E166-K231 PolarHBondContact OE1-NZ 3.2Å; E166-K231 IonicContact OE2-NZ 3Å; E166-K231 PolarHBondContact OE2-NZ 3.2Å; V190-K231 HydrophobicContact CG1-CB 3.98Å; V190-K231 HydrophobicContact CG1-CD 4.21Å; F191-K231 PolarHBondContact O-N 3.27Å; N192-K231 VanDerWaalsContact CA-O 3.31Å; N192-K231 WeakPolarHBondContact CA-O 3.39Å; N192-K231 HydrophobicContact CB-CB 3.92Å; N192-K231 HydrophobicContact CB-CD 4.46Å; N192-K231 HydrophobicContact CB-CG 4.36Å; N192-K231 PolarHBondContact OD1-O 3.28Å; N192-K231 VanDerWaalsContact OD1-O 3.11Å; H193-K231 PolarHBondContact N-O 3.48Å; K231-M259 WeakPolarHBondContact CA-O 3.38Å; K231-M259 HydrophobicContact CB-CB 3.84Å; K231-M259 HydrophobicContact CD-CB 4.12Å; K231-M259 HydrophobicContact CD-CE 4.39Å; K231-M259 HydrophobicContact CD-SD 4.48Å; K231-M259 HydrophobicContact CG-CB 3.76Å; K231-S307 VanDerWaalsContact CE-O 3.3Å; K231-S307 WeakPolarHBondContact CE-O 3.26Å; K231-S307 PolarHBondContact NZ-O 3.21Å; K231-Q314 VanDerWaalsContact CE-OE1 3.22Å
232	S	98.7	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.8	168.8	176.2	0	0	0	0	111	H193 L195 M259 L260 T261	H193-S232 WeakPolarHBondContact O-CA 3.44Å; H193-S232 VanDerWaalsContact O-CB 3.27Å; H193-S232 WeakPolarHBondContact O-CB 3.28Å; H193-S232 PolarHBondContact O-OG 3.04Å; L195-S232 PolarHBondContact N-OG 3.35Å; L195-S232 VanDerWaalsContact N-OG 3.15Å; S232-M259 PolarHBondContact N-O 3.33Å; S232-M259 VanDerWaalsContact N-O 3.13Å; S232-L260 WeakPolarHBondContact O-CA 3.31Å; S232-T261 PolarHBondContact O-N 3.33Å; S232-T261 PolarHBondContact O-OG1 2.73Å
233	G	98.2	Very high	98	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.3	171.1	0	0	0	0	0	113	N194 L195 E196 T261	N194-G233 VanDerWaalsContact OD1-CA 3.29Å; N194-G233 WeakPolarHBondContact OD1-CA 3.48Å; N194-G233 PolarHBondContact OD1-N 3.06Å; L195-G233 PolarHBondContact N-O 3.49Å; E196-G233 PolarHBondContact N-O 2.87Å; G233-T261 CarbonylContact C-O 3.49Å; G233-T261 VanDerWaalsContact CA-O 3.31Å; G233-T261 WeakPolarHBondContact CA-O 3.16Å; G233-T261 WeakPolarHBondContact CA-OG1 3.14Å
234	L	98.6	Very high	98	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.1	171.8	-60.4	176.8	0	0	0	109.3	L195 I245 V248 M249 L252 L260 T261 L262 G263	L195-L234 HydrophobicContact CB-CD2 3.84Å; L234-I245 HydrophobicContact CB-CD1 4.41Å; L234-I245 HydrophobicContact CD1-CD1 4.25Å; L234-I245 HydrophobicContact CD1-CG2 4.22Å; L234-V248 HydrophobicContact CD1-CB 4.27Å; L234-V248 HydrophobicContact CD1-CG1 3.87Å; L234-V248 HydrophobicContact CD2-CG1 3.63Å; L234-V248 HydrophobicContact CG-CG1 4.39Å; L234-M249 HydrophobicContact CD1-CG 4.42Å; L234-L252 HydrophobicContact CD1-CD1 4.3Å; L234-L252 HydrophobicContact CG-CD1 4.5Å; L234-L260 HydrophobicContact CD1-CD1 4.15Å; L234-L260 HydrophobicContact CG-CD1 4.28Å; L234-T261 PolarHBondContact N-O 2.9Å; L234-L262 HydrophobicContact CB-CD1 3.54Å; L234-L262 HydrophobicContact CD1-CD1 4.34Å; L234-L262 WeakPolarHBondContact O-CA 3.13Å; L234-G263 PolarHBondContact O-N 3.03Å
235	M	97.8	Very high	98.1	Very high	28 Å²	28	30.5 Å²	30.5	14%	0.138	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.2	171.9	-65.6	178.8	-73	0	0	110.2	F100 E196 N197 G263 Y265	F100-M235 HydrophobicContact CD1-CE 4.17Å; F100-M235 HydrophobicContact CD2-CE 3.31Å; F100-M235 HydrophobicContact CD2-SD 3.95Å; F100-M235 HydrophobicContact CE1-CE 4.17Å; F100-M235 HydrophobicContact CE2-CE 3.34Å; F100-M235 HydrophobicContact CE2-SD 4.22Å; F100-M235 HydrophobicContact CG-CE 3.76Å; F100-M235 HydrophobicContact CZ-CE 3.79Å; E196-M235 HydrophobicContact CB-CE 3.73Å; E196-M235 HydrophobicContact CG-CE 4.15Å; E196-M235 PolarHBondContact O-N 2.79Å; E196-M235 VanDerWaalsContact OE2-CE 3.23Å; E196-M235 WeakPolarHBondContact OE2-CE 3.15Å; N197-M235 PolarHBondContact ND2-O 3.39Å; M235-G263 CarbonylContact C-O 3.56Å; M235-G263 VanDerWaalsContact CA-O 3.26Å; M235-G263 WeakPolarHBondContact CA-O 3.47Å; M235-Y265 HydrophobicContact SD-CD2 4.35Å
236	V	98.4	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	157.7	174.3	-62.9	0	0	0	0	111.6	E240 I245 L262 G263 Q264 Y265 V279 F284	V236-E240 VanDerWaalsContact CA-OE1 3.23Å; V236-E240 WeakPolarHBondContact CA-OE1 3.26Å; V236-E240 WeakPolarHBondContact CB-OE1 3.18Å; V236-I245 HydrophobicContact CG1-CD1 4.01Å; V236-I245 HydrophobicContact CG1-CG1 3.94Å; V236-L262 HydrophobicContact CG1-CD1 3.68Å; V236-L262 HydrophobicContact CG1-CG 4.28Å; V236-G263 WeakPolarHBondContact CG2-O 3.45Å; V236-G263 PolarHBondContact N-O 2.91Å; V236-Q264 PolarHBondContact O-NE2 2.94Å; V236-Y265 VanDerWaalsContact O-CB 3.27Å; V236-Y265 WeakPolarHBondContact O-CB 3.45Å; V236-Y265 PolarHBondContact O-N 2.77Å; V236-V279 HydrophobicContact CB-CG2 3.77Å; V236-V279 HydrophobicContact CG2-CB 3.86Å; V236-V279 HydrophobicContact CG2-CG1 4.42Å; V236-V279 HydrophobicContact CG2-CG2 3.46Å; V236-V279 VanDerWaalsContact CG2-CG2 3.46Å; V236-F284 HydrophobicContact CG2-CE1 3.68Å; V236-F284 HydrophobicContact CG2-CE2 4.44Å; V236-F284 HydrophobicContact CG2-CZ 3.43Å; V236-F284 VanDerWaalsContact CG2-CZ 3.43Å
237	G	97.6	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	99.3	14.9	-178.6	0	0	0	0	0	114.7	E240 Q276 R277	G237-E240 PolarHBondContact N-OE1 3.38Å; G237-E240 PolarHBondContact N-OE2 3.41Å; G237-Q276 PolarHBondContact O-N 2.71Å; G237-R277 WeakPolarHBondContact CA-O 3.36Å
238	L	96.8	Very high	98.2	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.073	13%	0.134	C	C	.	.	S	Bend	trans	-106.1	0.9	179	-76.1	169.1	0	0	0	113.4	I201 V205 E240 Y265 L273	I201-L238 HydrophobicContact CD1-CB 4.07Å; I201-L238 WeakPolarHBondContact CD1-O 3.23Å; V205-L238 HydrophobicContact CG1-CD1 3.95Å; V205-L238 HydrophobicContact CG2-CB 4.48Å; V205-L238 HydrophobicContact CG2-CD1 4.04Å; L238-E240 WeakPolarHBondContact CA-OE2 3.44Å; L238-E240 PolarHBondContact N-OE2 3.09Å; L238-Y265 HydrophobicContact CD1-CD1 4.47Å; L238-Y265 HydrophobicContact CD1-CD2 4.38Å; L238-Y265 HydrophobicContact CD1-CG 4.13Å; L238-Y265 HydrophobicContact CD2-CD1 3.3Å; L238-Y265 HydrophobicContact CD2-CD2 4.31Å; L238-Y265 HydrophobicContact CD2-CE1 3.38Å; L238-Y265 HydrophobicContact CD2-CE2 4.38Å; L238-Y265 HydrophobicContact CD2-CG 3.79Å; L238-Y265 HydrophobicContact CG-CD1 3.69Å; L238-Y265 HydrophobicContact CG-CD2 4.45Å; L238-Y265 HydrophobicContact CG-CE1 4.27Å; L238-Y265 HydrophobicContact CG-CG 3.78Å; L238-L273 HydrophobicContact CD2-CB 3.69Å; L238-L273 HydrophobicContact CD2-CD1 3.97Å; L238-L273 HydrophobicContact CD2-CG 4.44Å
239	G	96.2	Very high	98.2	Very high	31 Å²	31	24 Å²	24	32%	0.32	13%	0.131	S	C	.	.	S	Bend	trans	114.8	6.4	176.5	0	0	0	0	0	113.9	R200	R200-G239 PolarHBondContact NH2-O 2.95Å
240	E	98.3	Very high	98.3	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	13%	0.134	C	C	.	.			trans	-73.2	154.4	165.7	76.7	-53.5	134.5	0	0	112.6	N197 V198 V236 G237 L238 I245 R277	N197-E240 PolarHBondContact ND2-OE2 2.96Å; V198-E240 HydrophobicContact CB-CB 4.44Å; V198-E240 HydrophobicContact CG1-CB 3.73Å; V198-E240 HydrophobicContact CG1-CG 4.33Å; V198-E240 HydrophobicContact CG2-CB 3.78Å; V236-E240 VanDerWaalsContact CA-OE1 3.23Å; V236-E240 WeakPolarHBondContact CA-OE1 3.26Å; V236-E240 WeakPolarHBondContact CB-OE1 3.18Å; G237-E240 PolarHBondContact N-OE1 3.38Å; G237-E240 PolarHBondContact N-OE2 3.41Å; L238-E240 WeakPolarHBondContact CA-OE2 3.44Å; L238-E240 PolarHBondContact N-OE2 3.09Å; E240-I245 HydrophobicContact CB-CG1 4.42Å; E240-I245 HydrophobicContact CG-CD1 3.78Å; E240-I245 HydrophobicContact CG-CG1 3.57Å; E240-R277 PolarHBondContact O-NE 3.26Å; E240-R277 PolarHBondContact O-NH2 2.8Å; E240-R277 IonicContact OE1-CZ 3.05Å; E240-R277 IonicContact OE1-NE 3.76Å; E240-R277 PolarHBondContact OE1-NE 2.92Å; E240-R277 IonicContact OE1-NH2 2.9Å; E240-R277 PolarHBondContact OE1-NH2 3.04Å; E240-R277 VanDerWaalsContact OE1-NH2 3.09Å
241	T	98.4	Very high	98.3	Very high	59 Å²	59	27.7 Å²	27.7	36%	0.362	14%	0.141	S	C	.	.			trans	-91.6	161.7	168.8	59.2	0	0	0	0	111.1	E243 E244 I245	T241-E243 VanDerWaalsContact C-N 3.27Å; T241-E243 WeakPolarHBondContact CB-OE2 3.48Å; T241-E243 PolarHBondContact O-N 2.8Å; T241-E244 PolarHBondContact N-OE2 3.02Å; T241-E244 PolarHBondContact O-N 2.91Å; T241-E244 WeakPolarHBondContact OG1-CB 3.36Å; T241-E244 WeakPolarHBondContact OG1-CG 3.28Å; T241-E244 PolarHBondContact OG1-N 3.1Å; T241-E244 PolarHBondContact OG1-OE2 3.16Å; T241-I245 PolarHBondContact O-N 3.43Å
242	N	98.2	Very high	98.3	Very high	26 Å²	26	27.7 Å²	27.7	14%	0.139	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-37.1	175.6	-69.9	-9.7	0	0	0	110.4	E244 I245 I246 R277 E283 M287	N242-E244 PolarHBondContact O-N 3.21Å; N242-I245 WeakPolarHBondContact O-CB 3.49Å; N242-I245 PolarHBondContact O-N 3.14Å; N242-I246 VanDerWaalsContact O-CG1 3.28Å; N242-I246 WeakPolarHBondContact O-CG1 3.35Å; N242-I246 PolarHBondContact O-N 3.29Å; N242-R277 PolarHBondContact OD1-NH1 2.9Å; N242-R277 PolarHBondContact OD1-NH2 2.78Å; N242-E283 PolarHBondContact ND2-OE1 2.73Å; N242-M287 HydrophobicContact CB-SD 4.29Å
243	E	98.4	Very high	98.3	Very high	127 Å²	127	31 Å²	31	59%	0.593	15%	0.154	S	C	*	.	H	α-helix	trans	-61.7	-44.9	177.3	-63.8	71.9	-159.6	0	0	111.5	T241 I245 I246 E247	T241-E243 VanDerWaalsContact C-N 3.27Å; T241-E243 WeakPolarHBondContact CB-OE2 3.48Å; T241-E243 PolarHBondContact O-N 2.8Å; E243-I245 VanDerWaalsContact C-N 3.3Å; E243-I245 PolarHBondContact O-N 2.88Å; E243-I246 PolarHBondContact O-N 3.36Å; E243-E247 PolarHBondContact O-N 3.13Å
244	E	98.7	Very high	98.3	Very high	44 Å²	44	38.5 Å²	38.5	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-36.2	175.5	-72.5	170.3	118.2	0	0	112.1	V198 R200 T241 N242 E247 V248	V198-E244 HydrophobicContact CB-CB 4.07Å; V198-E244 HydrophobicContact CG1-CB 3.7Å; V198-E244 HydrophobicContact CG2-CB 4.24Å; R200-E244 IonicContact CZ-OE1 3.09Å; R200-E244 IonicContact CZ-OE2 3.04Å; R200-E244 IonicContact NE-OE1 3.41Å; R200-E244 PolarHBondContact NE-OE1 2.91Å; R200-E244 IonicContact NE-OE2 3.86Å; R200-E244 IonicContact NH2-OE1 2.62Å; R200-E244 PolarHBondContact NH2-OE1 3.04Å; R200-E244 IonicContact NH2-OE2 3.71Å; R200-E244 PolarHBondContact NH2-OE2 3.41Å; T241-E244 PolarHBondContact N-OE2 3.02Å; T241-E244 PolarHBondContact O-N 2.91Å; T241-E244 WeakPolarHBondContact OG1-CB 3.36Å; T241-E244 WeakPolarHBondContact OG1-CG 3.28Å; T241-E244 PolarHBondContact OG1-N 3.1Å; T241-E244 PolarHBondContact OG1-OE2 3.16Å; N242-E244 PolarHBondContact O-N 3.21Å; E244-E247 PolarHBondContact O-N 3.41Å; E244-V248 WeakPolarHBondContact O-CG2 3.26Å; E244-V248 PolarHBondContact O-N 2.92Å
245	I	98.7	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-43.5	174.4	-72.9	-69.8	0	0	0	110.8	V198 L234 V236 E240 T241 N242 E243 E247 V248 M249 L262 M287	V198-I245 HydrophobicContact CG1-CD1 3.82Å; V198-I245 HydrophobicContact CG1-CG1 4.2Å; L234-I245 HydrophobicContact CB-CD1 4.41Å; L234-I245 HydrophobicContact CD1-CD1 4.25Å; L234-I245 HydrophobicContact CD1-CG2 4.22Å; V236-I245 HydrophobicContact CG1-CD1 4.01Å; V236-I245 HydrophobicContact CG1-CG1 3.94Å; E240-I245 HydrophobicContact CB-CG1 4.42Å; E240-I245 HydrophobicContact CG-CD1 3.78Å; E240-I245 HydrophobicContact CG-CG1 3.57Å; T241-I245 PolarHBondContact O-N 3.43Å; N242-I245 WeakPolarHBondContact O-CB 3.49Å; N242-I245 PolarHBondContact O-N 3.14Å; E243-I245 VanDerWaalsContact C-N 3.3Å; E243-I245 PolarHBondContact O-N 2.88Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 2.89Å; I245-V248 WeakPolarHBondContact O-CB 3.41Å; I245-V248 PolarHBondContact O-N 2.75Å; I245-V248 VanDerWaalsContact O-N 3.15Å; I245-M249 HydrophobicContact CG2-CE 3.58Å; I245-M249 WeakPolarHBondContact O-CG 3.39Å; I245-M249 PolarHBondContact O-N 3.21Å; I245-L262 HydrophobicContact CD1-CD1 4.5Å; I245-L262 HydrophobicContact CG2-CD1 3.91Å; I245-L262 HydrophobicContact CG2-CD2 4.34Å; I245-M287 HydrophobicContact CB-SD 4.27Å; I245-M287 HydrophobicContact CG2-SD 3.72Å
246	I	98.6	Very high	98.3	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-39.8	175.9	-68.7	167.6	0	0	0	110.5	N242 E243 V248 M249 R250 E290 M294	N242-I246 VanDerWaalsContact O-CG1 3.28Å; N242-I246 WeakPolarHBondContact O-CG1 3.35Å; N242-I246 PolarHBondContact O-N 3.29Å; E243-I246 PolarHBondContact O-N 3.36Å; I246-V248 PolarHBondContact O-N 2.79Å; I246-M249 WeakPolarHBondContact O-CB 3.15Å; I246-M249 PolarHBondContact O-N 3.03Å; I246-R250 PolarHBondContact O-N 3.47Å; I246-R250 VanDerWaalsContact O-N 3.08Å; I246-E290 HydrophobicContact CD1-CG 4.21Å; I246-M294 HydrophobicContact CG2-CE 3.49Å; I246-M294 VanDerWaalsContact CG2-CE 3.49Å
247	E	98.7	Very high	98.3	Very high	95 Å²	95	39.9 Å²	39.9	44%	0.444	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-43.4	172.4	-67.3	-54.9	157.8	0	0	112	E243 E244 I245 M249 R250 D251	E243-E247 PolarHBondContact O-N 3.13Å; E244-E247 PolarHBondContact O-N 3.41Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 2.89Å; E247-M249 VanDerWaalsContact C-N 3.26Å; E247-M249 PolarHBondContact O-N 3.43Å; E247-R250 WeakPolarHBondContact O-CB 3.48Å; E247-R250 PolarHBondContact O-N 3.44Å; E247-R250 IonicContact OE1-CZ 3Å; E247-R250 IonicContact OE1-NH1 2.73Å; E247-R250 PolarHBondContact OE1-NH1 3.26Å; E247-R250 IonicContact OE2-NH1 3.27Å; E247-R250 PolarHBondContact OE2-NH1 2.9Å; E247-D251 PolarHBondContact O-N 3.39Å; E247-D251 VanDerWaalsContact O-OD1 3.12Å
248	V	98.8	Very high	98.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-35.8	175.2	176.9	0	0	0	0	111.6	L195 V198 Y211 L234 E244 I245 I246 R250 D251 L252	L195-V248 HydrophobicContact CD2-CG1 3.75Å; V198-V248 HydrophobicContact CB-CG2 4.12Å; V198-V248 HydrophobicContact CG1-CG2 3.88Å; Y211-V248 HydrophobicContact CE2-CG1 4.26Å; Y211-V248 HydrophobicContact CE2-CG2 4.1Å; L234-V248 HydrophobicContact CD1-CB 4.27Å; L234-V248 HydrophobicContact CD1-CG1 3.87Å; L234-V248 HydrophobicContact CD2-CG1 3.63Å; L234-V248 HydrophobicContact CG-CG1 4.39Å; E244-V248 WeakPolarHBondContact O-CG2 3.26Å; E244-V248 PolarHBondContact O-N 2.92Å; I245-V248 WeakPolarHBondContact O-CB 3.41Å; I245-V248 PolarHBondContact O-N 2.75Å; I245-V248 VanDerWaalsContact O-N 3.15Å; I246-V248 PolarHBondContact O-N 2.79Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.07Å; V248-D251 PolarHBondContact O-N 3.15Å; V248-L252 HydrophobicContact CG1-CD1 4.2Å; V248-L252 HydrophobicContact CG1-CG 4.33Å; V248-L252 WeakPolarHBondContact O-CB 3.29Å; V248-L252 VanDerWaalsContact O-CG 3.25Å; V248-L252 WeakPolarHBondContact O-CG 3.13Å; V248-L252 PolarHBondContact O-N 3.32Å
249	M	98.8	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-40.9	173.3	-67.8	-179.6	-170.3	0	0	111.7	L234 I245 I246 E247 L252 R253 L260 L262 M287 A291 M294 F296	L234-M249 HydrophobicContact CD1-CG 4.42Å; I245-M249 HydrophobicContact CG2-CE 3.58Å; I245-M249 WeakPolarHBondContact O-CG 3.39Å; I245-M249 PolarHBondContact O-N 3.21Å; I246-M249 WeakPolarHBondContact O-CB 3.15Å; I246-M249 PolarHBondContact O-N 3.03Å; E247-M249 VanDerWaalsContact C-N 3.26Å; E247-M249 PolarHBondContact O-N 3.43Å; M249-L252 PolarHBondContact O-N 3.27Å; M249-R253 WeakPolarHBondContact O-CG 3.43Å; M249-R253 PolarHBondContact O-N 3.39Å; M249-L260 HydrophobicContact CE-CD2 3.7Å; M249-L260 HydrophobicContact CG-CD2 3.85Å; M249-L260 HydrophobicContact SD-CD2 3.83Å; M249-L262 HydrophobicContact CE-CD2 3.85Å; M249-M287 HydrophobicContact CE-CB 3.92Å; M249-M287 HydrophobicContact CE-CG 4.5Å; M249-A291 HydrophobicContact SD-CB 3.87Å; M249-M294 HydrophobicContact CB-CE 4.21Å; M249-M294 HydrophobicContact CB-SD 3.74Å; M249-F296 HydrophobicContact CB-CE2 3.98Å; M249-F296 HydrophobicContact CB-CZ 4.45Å; M249-F296 HydrophobicContact CG-CE2 4.48Å
250	R	98.7	Very high	98.5	Very high	94 Å²	94	39 Å²	39	36%	0.355	18%	0.182	S	C	.	.	H	α-helix	trans	-64	-43	173.9	-63.5	-174.8	-172.1	112.8	3.8	111.2	I246 E247 V248 L252 R253 R254 M294	I246-R250 PolarHBondContact O-N 3.47Å; I246-R250 VanDerWaalsContact O-N 3.08Å; E247-R250 WeakPolarHBondContact O-CB 3.48Å; E247-R250 PolarHBondContact O-N 3.44Å; E247-R250 IonicContact OE1-CZ 3Å; E247-R250 IonicContact OE1-NH1 2.73Å; E247-R250 PolarHBondContact OE1-NH1 3.26Å; E247-R250 IonicContact OE2-NH1 3.27Å; E247-R250 PolarHBondContact OE2-NH1 2.9Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.07Å; R250-L252 PolarHBondContact O-N 3.08Å; R250-R253 PolarHBondContact O-N 2.94Å; R250-R254 WeakPolarHBondContact O-CG 3.31Å; R250-R254 PolarHBondContact O-N 2.96Å; R250-M294 HydrophobicContact CB-SD 4.5Å; R250-M294 HydrophobicContact CG-CE 3.69Å; R250-M294 HydrophobicContact CG-SD 3.62Å
251	D	98.8	Very high	98.5	Very high	27 Å²	27	39 Å²	39	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-47.4	177.5	-69.9	15.2	0	0	0	110.6	Y211 L215 E247 V248 R253 R254 H255	Y211-D251 WeakPolarHBondContact OH-CB 3.25Å; Y211-D251 PolarHBondContact OH-OD2 3.24Å; Y211-D251 VanDerWaalsContact OH-OD2 3.09Å; L215-D251 HydrophobicContact CD1-CB 4.15Å; L215-D251 HydrophobicContact CD2-CB 4.38Å; E247-D251 PolarHBondContact O-N 3.39Å; E247-D251 VanDerWaalsContact O-OD1 3.12Å; V248-D251 PolarHBondContact O-N 3.15Å; D251-R253 PolarHBondContact O-N 3.36Å; D251-R254 VanDerWaalsContact CG-NH2 3.32Å; D251-R254 PolarHBondContact O-N 3.22Å; D251-R254 IonicContact OD1-CZ 3.85Å; D251-R254 IonicContact OD1-NH1 3.13Å; D251-R254 PolarHBondContact OD1-NH1 3.1Å; D251-R254 IonicContact OD1-NH2 2.74Å; D251-R254 PolarHBondContact OD1-NH2 3.04Å; D251-R254 IonicContact OD2-NH2 3.92Å; D251-H255 PolarHBondContact O-N 3.41Å; D251-H255 VanDerWaalsContact O-N 3.08Å; D251-H255 PolarHBondContact O-ND1 3.02Å
252	L	98.9	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.8	-46.5	175	-74.7	171.3	0	0	0	112.1	L195 L215 L218 L234 V248 M249 R250 H255 G256 V257 L260 F296	L195-L252 HydrophobicContact CD1-CD2 3.72Å; L195-L252 HydrophobicContact CD2-CD2 3.85Å; L195-L252 HydrophobicContact CD2-CG 4.23Å; L195-L252 HydrophobicContact CG-CD2 4.34Å; L215-L252 HydrophobicContact CD2-CD2 4.11Å; L218-L252 HydrophobicContact CD1-CD2 4.16Å; L234-L252 HydrophobicContact CD1-CD1 4.3Å; L234-L252 HydrophobicContact CG-CD1 4.5Å; V248-L252 HydrophobicContact CG1-CD1 4.2Å; V248-L252 HydrophobicContact CG1-CG 4.33Å; V248-L252 WeakPolarHBondContact O-CB 3.29Å; V248-L252 VanDerWaalsContact O-CG 3.25Å; V248-L252 WeakPolarHBondContact O-CG 3.13Å; V248-L252 PolarHBondContact O-N 3.32Å; M249-L252 PolarHBondContact O-N 3.27Å; R250-L252 PolarHBondContact O-N 3.08Å; L252-H255 CarbonylContact O-C 3.54Å; L252-H255 PolarHBondContact O-N 3.44Å; L252-G256 PolarHBondContact O-N 2.99Å; L252-V257 HydrophobicContact CB-CB 4.05Å; L252-V257 HydrophobicContact CB-CG1 4.5Å; L252-V257 HydrophobicContact CB-CG2 4.3Å; L252-V257 HydrophobicContact CD2-CB 4.26Å; L252-V257 HydrophobicContact CD2-CG1 4.33Å; L252-V257 HydrophobicContact CD2-CG2 3.84Å; L252-V257 VanDerWaalsContact O-CB 3.29Å; L252-V257 WeakPolarHBondContact O-CB 3.25Å; L252-V257 WeakPolarHBondContact O-CG2 3.43Å; L252-V257 PolarHBondContact O-N 3.19Å; L252-L260 HydrophobicContact CD1-CD1 3.89Å; L252-F296 HydrophobicContact CB-CE1 4.33Å; L252-F296 HydrophobicContact CB-CZ 3.83Å; L252-F296 HydrophobicContact CD1-CZ 4.38Å
253	R	98.5	Very high	98.4	Very high	71 Å²	71	35.1 Å²	35.1	27%	0.268	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-41	176.9	-70	-57	-60.8	124.2	-1.7	112.7	M249 R250 D251 H255 G256 V257 M294 G295 F296	M249-R253 WeakPolarHBondContact O-CG 3.43Å; M249-R253 PolarHBondContact O-N 3.39Å; R250-R253 PolarHBondContact O-N 2.94Å; D251-R253 PolarHBondContact O-N 3.36Å; R253-H255 PolarHBondContact O-N 3.47Å; R253-G256 PolarHBondContact O-N 3.39Å; R253-V257 WeakPolarHBondContact CD-O 3.23Å; R253-V257 PolarHBondContact NH1-O 3.22Å; R253-M294 HydrophobicContact CG-CB 4.1Å; R253-M294 PolarHBondContact NE-O 2.71Å; R253-G295 PolarHBondContact NE-O 3.31Å; R253-G295 PolarHBondContact NH2-O 3.39Å; R253-F296 VanDerWaalsContact CD-CE2 3.47Å; R253-F296 HydrophobicContact CG-CD2 3.85Å; R253-F296 HydrophobicContact CG-CE1 4.29Å; R253-F296 HydrophobicContact CG-CE2 3.39Å; R253-F296 HydrophobicContact CG-CG 4.48Å; R253-F296 HydrophobicContact CG-CZ 3.64Å
254	R	98.4	Very high	98.4	Very high	157 Å²	157	29.1 Å²	29.1	59%	0.592	13%	0.132	S	C	*	.	H	α-helix	trans	-61.2	-29.5	176	-70.7	-164.7	-51.6	-85.2	10.9	112.5	R250 D251 G256	R250-R254 WeakPolarHBondContact O-CG 3.31Å; R250-R254 PolarHBondContact O-N 2.96Å; D251-R254 VanDerWaalsContact CG-NH2 3.32Å; D251-R254 PolarHBondContact O-N 3.22Å; D251-R254 IonicContact OD1-CZ 3.85Å; D251-R254 IonicContact OD1-NH1 3.13Å; D251-R254 PolarHBondContact OD1-NH1 3.1Å; D251-R254 IonicContact OD1-NH2 2.74Å; D251-R254 PolarHBondContact OD1-NH2 3.04Å; D251-R254 IonicContact OD2-NH2 3.92Å; R254-G256 VanDerWaalsContact C-N 3.33Å
255	H	98.7	Very high	98.3	Very high	40 Å²	40	27.1 Å²	27.1	19%	0.185	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	20.8	176.2	-63.4	82.1	0	0	0	112.8	L215 E219 D251 L252 R253 V257	L215-H255 HydrophobicContact CD2-CB 4.31Å; E219-H255 WeakPolarHBondContact CA-O 3.39Å; E219-H255 HydrophobicContact CB-CB 4.04Å; E219-H255 IonicContact OE1-CD2 2.72Å; E219-H255 IonicContact OE2-CD2 3.52Å; D251-H255 PolarHBondContact O-N 3.41Å; D251-H255 VanDerWaalsContact O-N 3.08Å; D251-H255 PolarHBondContact O-ND1 3.02Å; L252-H255 CarbonylContact O-C 3.54Å; L252-H255 PolarHBondContact O-N 3.44Å; R253-H255 PolarHBondContact O-N 3.47Å; H255-V257 VanDerWaalsContact C-N 3.35Å; H255-V257 PolarHBondContact O-N 3.42Å
256	G	98.2	Very high	98	Very high	21 Å²	21	29 Å²	29	22%	0.216	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	6	169.4	0	0	0	0	0	116.1	T230 L252 R253 R254 T258	T230-G256 PolarHBondContact OG1-O 3.3Å; L252-G256 PolarHBondContact O-N 2.99Å; R253-G256 PolarHBondContact O-N 3.39Å; R254-G256 VanDerWaalsContact C-N 3.33Å; G256-T258 PolarHBondContact O-N 2.76Å
257	V	98.7	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.			trans	-70	119.6	-179.3	-177.4	0	0	0	0	111.1	L218 T230 L252 R253 H255 M259 F296	L218-V257 HydrophobicContact CB-CG2 3.89Å; L218-V257 HydrophobicContact CD1-CG2 3.76Å; L218-V257 HydrophobicContact CD2-CG2 4.35Å; L218-V257 HydrophobicContact CG-CG2 4.22Å; T230-V257 VanDerWaalsContact OG1-CA 3.3Å; T230-V257 WeakPolarHBondContact OG1-CA 3.39Å; L252-V257 HydrophobicContact CB-CB 4.05Å; L252-V257 HydrophobicContact CB-CG1 4.5Å; L252-V257 HydrophobicContact CB-CG2 4.3Å; L252-V257 HydrophobicContact CD2-CB 4.26Å; L252-V257 HydrophobicContact CD2-CG1 4.33Å; L252-V257 HydrophobicContact CD2-CG2 3.84Å; L252-V257 VanDerWaalsContact O-CB 3.29Å; L252-V257 WeakPolarHBondContact O-CB 3.25Å; L252-V257 WeakPolarHBondContact O-CG2 3.43Å; L252-V257 PolarHBondContact O-N 3.19Å; R253-V257 WeakPolarHBondContact CD-O 3.23Å; R253-V257 PolarHBondContact NH1-O 3.22Å; H255-V257 VanDerWaalsContact C-N 3.35Å; H255-V257 PolarHBondContact O-N 3.42Å; V257-M259 WeakPolarHBondContact CG1-O 3.38Å; V257-F296 HydrophobicContact CB-CE1 4.46Å; V257-F296 HydrophobicContact CG1-CE1 4.14Å; V257-F296 WeakPolarHBondContact O-CE1 3.5Å
258	T	98.1	Very high	97.3	Very high	20 Å²	20	27.4 Å²	27.4	12%	0.123	13%	0.128	C	C	.	.			trans	-97.9	-21.7	-173.9	50.3	0	0	0	0	114.2	P229 T230 G256 F296 T297	P229-T258 WeakPolarHBondContact CA-OG1 3.29Å; T230-T258 PolarHBondContact N-OG1 3.24Å; T230-T258 PolarHBondContact O-N 3.06Å; T230-T258 PolarHBondContact O-OG1 3.2Å; G256-T258 PolarHBondContact O-N 2.76Å; T258-F296 CarbonylContact O-C 3.45Å; T258-F296 WeakPolarHBondContact O-CA 3.24Å; T258-T297 PolarHBondContact O-N 3.38Å; T258-T297 PolarHBondContact O-OG1 3.22Å; T258-T297 VanDerWaalsContact O-OG1 3.1Å
259	M	98	Very high	96.9	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.034	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.5	-178.8	-60.5	176.9	74.8	0	0	111.9	V190 P229 T230 K231 S232 V257 H298 Q314	V190-M259 HydrophobicContact CG1-SD 4.14Å; V190-M259 HydrophobicContact CG2-SD 4.45Å; P229-M259 HydrophobicContact CB-CG 4.39Å; P229-M259 HydrophobicContact CB-SD 3.83Å; T230-M259 PolarHBondContact O-N 2.89Å; K231-M259 WeakPolarHBondContact CA-O 3.38Å; K231-M259 HydrophobicContact CB-CB 3.84Å; K231-M259 HydrophobicContact CD-CB 4.12Å; K231-M259 HydrophobicContact CD-CE 4.39Å; K231-M259 HydrophobicContact CD-SD 4.48Å; K231-M259 HydrophobicContact CG-CB 3.76Å; S232-M259 PolarHBondContact N-O 3.33Å; S232-M259 VanDerWaalsContact N-O 3.13Å; V257-M259 WeakPolarHBondContact CG1-O 3.38Å; M259-H298 WeakPolarHBondContact CA-O 3.4Å; M259-H298 HydrophobicContact CE-CB 4.28Å; M259-H298 HydrophobicContact CG-CB 4.38Å; M259-Q314 HydrophobicContact CE-CB 4.36Å
260	L	98.1	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.1	-179.6	-178	66.4	0	0	0	111.4	S232 L234 M249 L252 A291 F296 H298 A299 A300	S232-L260 WeakPolarHBondContact O-CA 3.31Å; L234-L260 HydrophobicContact CD1-CD1 4.15Å; L234-L260 HydrophobicContact CG-CD1 4.28Å; M249-L260 HydrophobicContact CE-CD2 3.7Å; M249-L260 HydrophobicContact CG-CD2 3.85Å; M249-L260 HydrophobicContact SD-CD2 3.83Å; L252-L260 HydrophobicContact CD1-CD1 3.89Å; L260-A291 HydrophobicContact CD2-CB 3.69Å; L260-F296 HydrophobicContact CB-CD1 3.76Å; L260-F296 HydrophobicContact CB-CE1 3.85Å; L260-F296 HydrophobicContact CB-CG 4.17Å; L260-F296 HydrophobicContact CB-CZ 4.32Å; L260-F296 HydrophobicContact CD2-CE2 4.37Å; L260-F296 HydrophobicContact CD2-CZ 4.49Å; L260-H298 PolarHBondContact N-O 3.16Å; L260-A299 HydrophobicContact CB-CB 4.27Å; L260-A299 WeakPolarHBondContact O-CA 3.17Å; L260-A300 PolarHBondContact O-N 3.16Å
261	T	97.9	Very high	95.9	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.4	160.9	53.7	0	0	0	0	110	S232 G233 L234 A300 V305 Q314	S232-T261 PolarHBondContact O-N 3.33Å; S232-T261 PolarHBondContact O-OG1 2.73Å; G233-T261 CarbonylContact C-O 3.49Å; G233-T261 VanDerWaalsContact CA-O 3.31Å; G233-T261 WeakPolarHBondContact CA-O 3.16Å; G233-T261 WeakPolarHBondContact CA-OG1 3.14Å; L234-T261 PolarHBondContact N-O 2.9Å; T261-A300 CarbonylContact C-O 3.59Å; T261-A300 VanDerWaalsContact CA-O 3.28Å; T261-A300 WeakPolarHBondContact CA-O 3.4Å; T261-A300 HydrophobicContact CG2-CB 4.33Å; T261-V305 HydrophobicContact CG2-CG1 4.27Å; T261-Q314 VanDerWaalsContact CG2-OE1 3.3Å
262	L	98.1	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.6	178.2	-173.8	70	0	0	0	109.3	L234 V236 I245 M249 F284 M287 A300 C301 G302	L234-L262 HydrophobicContact CB-CD1 3.54Å; L234-L262 HydrophobicContact CD1-CD1 4.34Å; L234-L262 WeakPolarHBondContact O-CA 3.13Å; V236-L262 HydrophobicContact CG1-CD1 3.68Å; V236-L262 HydrophobicContact CG1-CG 4.28Å; I245-L262 HydrophobicContact CD1-CD1 4.5Å; I245-L262 HydrophobicContact CG2-CD1 3.91Å; I245-L262 HydrophobicContact CG2-CD2 4.34Å; M249-L262 HydrophobicContact CE-CD2 3.85Å; L262-F284 HydrophobicContact CD2-CD1 4.05Å; L262-F284 HydrophobicContact CD2-CE1 4.33Å; L262-F284 HydrophobicContact CG-CD1 4.15Å; L262-F284 HydrophobicContact CG-CE1 4.01Å; L262-F284 WeakPolarHBondContact O-CE1 3.44Å; L262-M287 HydrophobicContact CD2-CB 3.72Å; L262-M287 HydrophobicContact CD2-CE 3.65Å; L262-M287 HydrophobicContact CD2-CG 4.29Å; L262-M287 HydrophobicContact CD2-SD 3.62Å; L262-A300 PolarHBondContact N-O 3.44Å; L262-C301 HydrophobicContact CB-CB 4.18Å; L262-C301 WeakPolarHBondContact O-CA 3.4Å; L262-G302 PolarHBondContact O-N 3.41Å
263	G	97.2	Very high	95.4	Very high	3 Å²	3	33 Å²	33	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.8	-173.5	0	0	0	0	0	114.1	L234 M235 V236 G302 V305	L234-G263 PolarHBondContact O-N 3.03Å; M235-G263 CarbonylContact C-O 3.56Å; M235-G263 VanDerWaalsContact CA-O 3.26Å; M235-G263 WeakPolarHBondContact CA-O 3.47Å; V236-G263 WeakPolarHBondContact CG2-O 3.45Å; V236-G263 PolarHBondContact N-O 2.91Å; G263-G302 WeakPolarHBondContact CA-O 3.4Å; G263-V305 WeakPolarHBondContact CA-O 3.29Å
264	Q	97.2	Very high	95.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.9	171.4	175	65.1	54.3	0	0	110.2	M41 V236 L266 R277 Y278 F284 P303 R306	M41-Q264 HydrophobicContact SD-CG 3.9Å; V236-Q264 PolarHBondContact O-NE2 2.94Å; Q264-L266 HydrophobicContact CG-CD2 4.13Å; Q264-L266 PolarHBondContact O-N 2.92Å; Q264-R277 PolarHBondContact NE2-O 3.09Å; Q264-Y278 HydrophobicContact CG-CD1 4.14Å; Q264-F284 HydrophobicContact CB-CE2 4.5Å; Q264-F284 HydrophobicContact CB-CZ 4.05Å; Q264-P303 HydrophobicContact CB-CB 4.33Å; Q264-P303 VanDerWaalsContact CB-O 3.29Å; Q264-P303 WeakPolarHBondContact CB-O 3.5Å; Q264-P303 PolarHBondContact N-O 3.29Å; Q264-R306 PolarHBondContact O-NH1 3.33Å; Q264-R306 PolarHBondContact O-NH2 3.41Å; Q264-R306 VanDerWaalsContact O-NH2 3.15Å
265	Y	96.3	Very high	95	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.012	13%	0.128	C	C	.	.			trans	-62.4	126.4	166.2	170.4	-116.8	0	0	0	109.9	F100 M235 V236 L238 Q267 L273 V275	F100-Y265 HydrophobicContact CB-CD2 4.18Å; F100-Y265 HydrophobicContact CB-CE2 3.65Å; M235-Y265 HydrophobicContact SD-CD2 4.35Å; V236-Y265 VanDerWaalsContact O-CB 3.27Å; V236-Y265 WeakPolarHBondContact O-CB 3.45Å; V236-Y265 PolarHBondContact O-N 2.77Å; L238-Y265 HydrophobicContact CD1-CD1 4.47Å; L238-Y265 HydrophobicContact CD1-CD2 4.38Å; L238-Y265 HydrophobicContact CD1-CG 4.13Å; L238-Y265 HydrophobicContact CD2-CD1 3.3Å; L238-Y265 HydrophobicContact CD2-CD2 4.31Å; L238-Y265 HydrophobicContact CD2-CE1 3.38Å; L238-Y265 HydrophobicContact CD2-CE2 4.38Å; L238-Y265 HydrophobicContact CD2-CG 3.79Å; L238-Y265 HydrophobicContact CG-CD1 3.69Å; L238-Y265 HydrophobicContact CG-CD2 4.45Å; L238-Y265 HydrophobicContact CG-CE1 4.27Å; L238-Y265 HydrophobicContact CG-CG 3.78Å; Y265-Q267 HydrophobicContact CE1-CB 4.09Å; Y265-L273 HydrophobicContact CE1-CB 4.39Å; Y265-L273 WeakPolarHBondContact CE1-O 3.27Å; Y265-L273 PolarHBondContact OH-N 3.29Å; Y265-L273 PolarHBondContact OH-O 3.32Å; Y265-V275 HydrophobicContact CD1-CG2 3.93Å; Y265-V275 HydrophobicContact CE1-CG2 4.02Å
266	L	92.4	Very high	94.8	Very high	38 Å²	38	28.1 Å²	28.1	20%	0.199	15%	0.145	C	C	.	.			trans	-115.5	116.9	172.6	-62.5	-179.3	0	0	0	108.1	M41 P74 Q264 P268 R306	M41-L266 HydrophobicContact CE-CD2 3.55Å; M41-L266 HydrophobicContact SD-CD2 3.69Å; P74-L266 HydrophobicContact CG-CD1 3.93Å; Q264-L266 HydrophobicContact CG-CD2 4.13Å; Q264-L266 PolarHBondContact O-N 2.92Å; L266-P268 VanDerWaalsContact O-CD 3.23Å; L266-P268 WeakPolarHBondContact O-CD 3.31Å; L266-R306 VanDerWaalsContact CD1-NH2 3.26Å; L266-R306 VanDerWaalsContact CG-NH2 3.32Å
267	Q	91.9	Very high	94.7	Very high	42 Å²	42	29.8 Å²	29.8	20%	0.196	15%	0.145	C	C	.	.			trans	-61.6	118.1	179.6	-177.1	-179.5	34.1	0	0	110.4	T29 Y265 S269 H272 L273 V275	T29-Q267 PolarHBondContact OG1-NE2 2.84Å; T29-Q267 VanDerWaalsContact OG1-NE2 3.17Å; Y265-Q267 HydrophobicContact CE1-CB 4.09Å; Q267-S269 WeakPolarHBondContact CG-O 3.5Å; Q267-S269 PolarHBondContact NE2-O 3.08Å; Q267-H272 HydrophobicContact CG-CB 4.17Å; Q267-H272 PolarHBondContact NE2-O 2.97Å; Q267-L273 WeakPolarHBondContact CG-O 3.23Å; Q267-L273 PolarHBondContact NE2-O 2.84Å; Q267-V275 HydrophobicContact CB-CG2 3.9Å
268	P	91.1	Very high	94.6	Very high	45 Å²	45	31.9 Å²	31.9	29%	0.292	15%	0.153	S	C	.	.	S	Bend	trans	-66.5	-39.7	-178.7	-21.5	32	0	0	0	113	F100 D102 L266	F100-P268 WeakPolarHBondContact O-CG 3.41Å; D102-P268 HydrophobicContact CB-CB 3.58Å; D102-P268 HydrophobicContact CB-CG 3.76Å; L266-P268 VanDerWaalsContact O-CD 3.23Å; L266-P268 WeakPolarHBondContact O-CD 3.31Å
269	S	90.5	Very high	94.6	Very high	25 Å²	25	31 Å²	31	18%	0.175	15%	0.147	C	C	.	.	S	Bend	trans	-152.7	164	174	76.9	0	0	0	0	110.7	D15 Q267 H271 H272	D15-S269 WeakPolarHBondContact OD1-CB 3.31Å; D15-S269 PolarHBondContact OD1-OG 3.17Å; Q267-S269 WeakPolarHBondContact CG-O 3.5Å; Q267-S269 PolarHBondContact NE2-O 3.08Å; S269-H271 PolarHBondContact O-N 2.63Å; S269-H272 PolarHBondContact N-ND1 3.13Å; S269-H272 WeakPolarHBondContact O-CB 3.2Å; S269-H272 PolarHBondContact O-N 2.88Å; S269-H272 PolarHBondContact OG-CE1 3.05Å; S269-H272 PolarHBondContact OG-ND1 3.48Å
270	R	89.2	Confident	94.5	Very high	158 Å²	158	32 Å²	32	60%	0.596	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-14.2	179.3	67.5	177.6	177.7	177	-4.2	115.4	A28 T29	A28-R270 CarbonylContact C-O 3.53Å; A28-R270 VanDerWaalsContact CA-O 3.3Å; A28-R270 WeakPolarHBondContact CA-O 3.37Å; T29-R270 PolarHBondContact N-O 2.75Å
271	H	88.7	Confident	94.4	Very high	41 Å²	41	34.1 Å²	34.1	19%	0.19	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-21	179.9	-59.7	-69.1	0	0	0	112.5	M19 S269	M19-H271 HydrophobicContact CB-CB 4.31Å; M19-H271 HydrophobicContact CG-CB 3.91Å; M19-H271 VanDerWaalsContact CG-O 3.24Å; M19-H271 WeakPolarHBondContact CG-O 3.33Å; S269-H271 PolarHBondContact O-N 2.63Å
272	H	92.5	Very high	94.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-77.1	171.7	174.8	-64.8	89.8	0	0	0	111	D15 P99 C101 D102 Q267 S269	D15-H272 IonicContact OD1-CE1 3.62Å; D15-H272 PolarHBondContact OD1-CE1 2.62Å; D15-H272 IonicContact OD1-ND1 2.78Å; P99-H272 WeakPolarHBondContact O-CA 3.49Å; P99-H272 VanDerWaalsContact O-CB 3.29Å; P99-H272 WeakPolarHBondContact O-CB 3.45Å; P99-H272 PolarHBondContact O-CD2 3.4Å; C101-H272 PolarHBondContact O-CD2 2.86Å; C101-H272 PolarHBondContact O-NE2 2.75Å; C101-H272 VanDerWaalsContact O-NE2 3.13Å; D102-H272 IonicContact OD1-CE1 3.59Å; Q267-H272 HydrophobicContact CG-CB 4.17Å; Q267-H272 PolarHBondContact NE2-O 2.97Å; S269-H272 PolarHBondContact N-ND1 3.13Å; S269-H272 WeakPolarHBondContact O-CB 3.2Å; S269-H272 PolarHBondContact O-N 2.88Å; S269-H272 PolarHBondContact OG-CE1 3.05Å; S269-H272 PolarHBondContact OG-ND1 3.48Å
273	L	93.4	Very high	94.4	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-50.9	135.9	178.2	-72.4	166.3	0	0	0	111.1	N26 P99 F100 V205 L238 Y265 Q267	N26-L273 WeakPolarHBondContact ND2-CD2 3.39Å; N26-L273 VanDerWaalsContact OD1-CD2 3.29Å; N26-L273 WeakPolarHBondContact OD1-CD2 3.46Å; P99-L273 HydrophobicContact CB-CD1 3.98Å; P99-L273 HydrophobicContact CB-CD2 4.43Å; P99-L273 HydrophobicContact CB-CG 3.82Å; P99-L273 PolarHBondContact O-N 2.9Å; P99-L273 VanDerWaalsContact O-N 3.08Å; F100-L273 HydrophobicContact CB-CD1 4.5Å; V205-L273 HydrophobicContact CG2-CD1 4.26Å; L238-L273 HydrophobicContact CD2-CB 3.69Å; L238-L273 HydrophobicContact CD2-CD1 3.97Å; L238-L273 HydrophobicContact CD2-CG 4.44Å; Y265-L273 HydrophobicContact CE1-CB 4.39Å; Y265-L273 WeakPolarHBondContact CE1-O 3.27Å; Y265-L273 PolarHBondContact OH-N 3.29Å; Y265-L273 PolarHBondContact OH-O 3.32Å; Q267-L273 WeakPolarHBondContact CG-O 3.23Å; Q267-L273 PolarHBondContact NE2-O 2.84Å
274	P	93.5	Very high	94.4	Very high	39 Å²	39	41.6 Å²	41.6	25%	0.253	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-66.2	146.3	175.6	27.4	-33.3	0	0	0	110.3	T29 Q276	T29-P274 HydrophobicContact CG2-CB 4.34Å; P274-Q276 PolarHBondContact O-N 3.35Å
275	V	94.9	Very high	94.4	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-68.8	124.2	164.6	-175.4	0	0	0	0	107.9	L35 Y265 Q267 R277 Y278	L35-V275 HydrophobicContact CD1-CG1 4.49Å; L35-V275 WeakPolarHBondContact CD1-O 3.29Å; Y265-V275 HydrophobicContact CD1-CG2 3.93Å; Y265-V275 HydrophobicContact CE1-CG2 4.02Å; Q267-V275 HydrophobicContact CB-CG2 3.9Å; V275-R277 VanDerWaalsContact CG1-O 3.24Å; V275-R277 WeakPolarHBondContact CG1-O 3.42Å; V275-Y278 HydrophobicContact CB-CE1 4.43Å; V275-Y278 HydrophobicContact CG1-CD1 4.04Å; V275-Y278 HydrophobicContact CG1-CE1 3.7Å; V275-Y278 HydrophobicContact CG1-CE2 4.44Å; V275-Y278 HydrophobicContact CG2-CE1 4.37Å
276	Q	95	Very high	94.5	Very high	114 Å²	114	49.9 Å²	49.9	53%	0.533	25%	0.247	S	C	.	.			trans	-91.9	-28.8	179.7	-65.2	-71.3	-2	0	0	112.6	L35 G237 P274	L35-Q276 VanDerWaalsContact CD1-C 3.49Å; L35-Q276 WeakPolarHBondContact CD1-O 3.06Å; G237-Q276 PolarHBondContact O-N 2.71Å; P274-Q276 PolarHBondContact O-N 3.35Å
277	R	96.4	Very high	94.8	Very high	57 Å²	57	48.2 Å²	48.2	22%	0.215	24%	0.239	C	C	.	.			trans	-156.7	154.7	173.2	63.4	178.4	-176.6	134	2.3	111.3	G237 E240 N242 Q264 V275 V279 E283	G237-R277 WeakPolarHBondContact CA-O 3.36Å; E240-R277 PolarHBondContact O-NE 3.26Å; E240-R277 PolarHBondContact O-NH2 2.8Å; E240-R277 IonicContact OE1-CZ 3.05Å; E240-R277 IonicContact OE1-NE 3.76Å; E240-R277 PolarHBondContact OE1-NE 2.92Å; E240-R277 IonicContact OE1-NH2 2.9Å; E240-R277 PolarHBondContact OE1-NH2 3.04Å; E240-R277 VanDerWaalsContact OE1-NH2 3.09Å; N242-R277 PolarHBondContact OD1-NH1 2.9Å; N242-R277 PolarHBondContact OD1-NH2 2.78Å; Q264-R277 PolarHBondContact NE2-O 3.09Å; V275-R277 VanDerWaalsContact CG1-O 3.24Å; V275-R277 WeakPolarHBondContact CG1-O 3.42Å; R277-V279 HydrophobicContact CG-CG2 4.36Å; R277-E283 IonicContact NH1-OE1 3.8Å; R277-E283 PolarHBondContact NH1-OE1 3.27Å
278	Y	97.1	Very high	95.1	Very high	43 Å²	43	47.7 Å²	47.7	17%	0.169	24%	0.235	C	C	.	.			trans	-103.8	113.6	165.1	-66.5	-67	0	0	0	108.7	L35 R36 K37 P38 M41 Q264 V275	L35-Y278 HydrophobicContact CB-CD2 4.27Å; L35-Y278 HydrophobicContact CB-CE2 3.65Å; L35-Y278 PolarHBondContact O-OH 3.3Å; R36-Y278 WeakPolarHBondContact O-CE2 3.16Å; K37-Y278 HydrophobicContact CG-CE1 4.49Å; K37-Y278 WeakPolarHBondContact CG-OH 3.36Å; P38-Y278 VanDerWaalsContact CD-CD2 3.48Å; P38-Y278 HydrophobicContact CG-CD2 4.35Å; P38-Y278 HydrophobicContact CG-CG 4.05Å; M41-Y278 HydrophobicContact CE-CD1 3.34Å; M41-Y278 HydrophobicContact CE-CE1 3.04Å; M41-Y278 HydrophobicContact CE-CG 4.31Å; M41-Y278 HydrophobicContact SD-CD1 3.93Å; M41-Y278 HydrophobicContact SD-CE1 4.17Å; Q264-Y278 HydrophobicContact CG-CD1 4.14Å; V275-Y278 HydrophobicContact CB-CE1 4.43Å; V275-Y278 HydrophobicContact CG1-CD1 4.04Å; V275-Y278 HydrophobicContact CG1-CE1 3.7Å; V275-Y278 HydrophobicContact CG1-CE2 4.44Å; V275-Y278 HydrophobicContact CG2-CE1 4.37Å
279	V	97	Very high	95.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.244	C	C	.	.			trans	-72.2	134.8	178.3	179.1	0	0	0	0	109.3	V236 R277 E283 F284 M287	V236-V279 HydrophobicContact CB-CG2 3.77Å; V236-V279 HydrophobicContact CG2-CB 3.86Å; V236-V279 HydrophobicContact CG2-CG1 4.42Å; V236-V279 HydrophobicContact CG2-CG2 3.46Å; V236-V279 VanDerWaalsContact CG2-CG2 3.46Å; R277-V279 HydrophobicContact CG-CG2 4.36Å; V279-E283 HydrophobicContact CG1-CB 3.47Å; V279-E283 VanDerWaalsContact CG1-CB 3.47Å; V279-E283 HydrophobicContact CG1-CG 4.36Å; V279-F284 HydrophobicContact CB-CD2 4.27Å; V279-F284 HydrophobicContact CB-CE2 3.67Å; V279-F284 HydrophobicContact CB-CZ 4Å; V279-F284 HydrophobicContact CG1-CD2 3.83Å; V279-F284 HydrophobicContact CG1-CE2 3.73Å; V279-F284 HydrophobicContact CG1-CG 4.31Å; V279-F284 HydrophobicContact CG1-CZ 4.15Å; V279-M287 HydrophobicContact CG1-CE 3.87Å
280	S	96.3	Very high	95.8	Very high	28 Å²	28	51.2 Å²	51.2	20%	0.196	26%	0.255	C	S	.	.			trans	-73.6	154.9	180	61.7	0	0	0	0	111.6	D282 E283 F284	S280-D282 PolarHBondContact O-N 2.79Å; S280-E283 WeakPolarHBondContact CB-OE2 3.49Å; S280-E283 PolarHBondContact N-OE2 3.35Å; S280-E283 PolarHBondContact O-N 3.38Å; S280-E283 VanDerWaalsContact OG-CG 3.29Å; S280-E283 WeakPolarHBondContact OG-CG 3.47Å; S280-E283 PolarHBondContact OG-N 3.38Å; S280-E283 PolarHBondContact OG-OE2 3.26Å; S280-F284 VanDerWaalsContact O-CD2 3.25Å; S280-F284 WeakPolarHBondContact O-CD2 3.29Å; S280-F284 PolarHBondContact O-N 3.06Å; S280-F284 VanDerWaalsContact O-N 3.15Å
281	P	95.9	Very high	96.2	Very high	47 Å²	47	43.7 Å²	43.7	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-54.3	-36.9	173.5	-26.7	36.5	0	0	0	113.2	W40 F284 D285	W40-P281 HydrophobicContact CB-CG 4.3Å; W40-P281 HydrophobicContact CD2-CG 4.42Å; W40-P281 HydrophobicContact CG-CG 4Å; P281-F284 WeakPolarHBondContact O-CB 3.4Å; P281-F284 PolarHBondContact O-N 3.15Å; P281-D285 PolarHBondContact O-N 3.23Å
282	D	97.5	Very high	96.6	Very high	114 Å²	114	45.7 Å²	45.7	61%	0.61	24%	0.239	S	C	*	.	H	α-helix	trans	-65.4	-44.1	179.4	-61.6	-16.3	0	0	0	111.4	S280 F284 D285 E286	S280-D282 PolarHBondContact O-N 2.79Å; D282-F284 VanDerWaalsContact C-N 3.29Å; D282-F284 PolarHBondContact O-N 3.36Å; D282-D285 WeakPolarHBondContact O-CB 3.34Å; D282-D285 PolarHBondContact O-N 3Å; D282-E286 WeakPolarHBondContact O-CG 3.26Å; D282-E286 PolarHBondContact O-N 3.22Å
283	E	97.8	Very high	96.9	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-35	173.7	-74.9	170.5	93.6	0	0	112.4	N242 R277 V279 S280 D285 M287	N242-E283 PolarHBondContact ND2-OE1 2.73Å; R277-E283 IonicContact NH1-OE1 3.8Å; R277-E283 PolarHBondContact NH1-OE1 3.27Å; V279-E283 HydrophobicContact CG1-CB 3.47Å; V279-E283 VanDerWaalsContact CG1-CB 3.47Å; V279-E283 HydrophobicContact CG1-CG 4.36Å; S280-E283 WeakPolarHBondContact CB-OE2 3.49Å; S280-E283 PolarHBondContact N-OE2 3.35Å; S280-E283 PolarHBondContact O-N 3.38Å; S280-E283 VanDerWaalsContact OG-CG 3.29Å; S280-E283 WeakPolarHBondContact OG-CG 3.47Å; S280-E283 PolarHBondContact OG-N 3.38Å; S280-E283 PolarHBondContact OG-OE2 3.26Å; E283-D285 VanDerWaalsContact C-N 3.35Å; E283-M287 HydrophobicContact CB-CE 4.42Å; E283-M287 VanDerWaalsContact O-CE 3.28Å; E283-M287 WeakPolarHBondContact O-CE 3.03Å; E283-M287 WeakPolarHBondContact O-CG 3.5Å; E283-M287 PolarHBondContact O-N 2.84Å
284	F	97.9	Very high	97.1	Very high	1 Å²	1	51 Å²	51	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-39.3	172.5	-80.6	-73.6	0	0	0	111.8	V236 L262 Q264 V279 S280 P281 D282 M287 K288 C301 P303	V236-F284 HydrophobicContact CG2-CE1 3.68Å; V236-F284 HydrophobicContact CG2-CE2 4.44Å; V236-F284 HydrophobicContact CG2-CZ 3.43Å; V236-F284 VanDerWaalsContact CG2-CZ 3.43Å; L262-F284 HydrophobicContact CD2-CD1 4.05Å; L262-F284 HydrophobicContact CD2-CE1 4.33Å; L262-F284 HydrophobicContact CG-CD1 4.15Å; L262-F284 HydrophobicContact CG-CE1 4.01Å; L262-F284 WeakPolarHBondContact O-CE1 3.44Å; Q264-F284 HydrophobicContact CB-CE2 4.5Å; Q264-F284 HydrophobicContact CB-CZ 4.05Å; V279-F284 HydrophobicContact CB-CD2 4.27Å; V279-F284 HydrophobicContact CB-CE2 3.67Å; V279-F284 HydrophobicContact CB-CZ 4Å; V279-F284 HydrophobicContact CG1-CD2 3.83Å; V279-F284 HydrophobicContact CG1-CE2 3.73Å; V279-F284 HydrophobicContact CG1-CG 4.31Å; V279-F284 HydrophobicContact CG1-CZ 4.15Å; S280-F284 VanDerWaalsContact O-CD2 3.25Å; S280-F284 WeakPolarHBondContact O-CD2 3.29Å; S280-F284 PolarHBondContact O-N 3.06Å; S280-F284 VanDerWaalsContact O-N 3.15Å; P281-F284 WeakPolarHBondContact O-CB 3.4Å; P281-F284 PolarHBondContact O-N 3.15Å; D282-F284 VanDerWaalsContact C-N 3.29Å; D282-F284 PolarHBondContact O-N 3.36Å; F284-M287 HydrophobicContact CD1-CE 4.48Å; F284-K288 WeakPolarHBondContact O-CB 3.09Å; F284-K288 PolarHBondContact O-N 3.24Å; F284-C301 HydrophobicContact CB-CB 4.34Å; F284-C301 HydrophobicContact CD1-CB 4.26Å; F284-C301 WeakPolarHBondContact O-CB 3.18Å; F284-P303 HydrophobicContact CD2-CG 4.02Å; F284-P303 HydrophobicContact CE2-CB 4.27Å; F284-P303 HydrophobicContact CE2-CG 3.85Å
285	D	97.5	Very high	97.3	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-37.7	177.8	-78	-23.8	0	0	0	111.7	P281 D282 E283 K288 A289 K321	P281-D285 PolarHBondContact O-N 3.23Å; D282-D285 WeakPolarHBondContact O-CB 3.34Å; D282-D285 PolarHBondContact O-N 3Å; E283-D285 VanDerWaalsContact C-N 3.35Å; D285-K288 WeakPolarHBondContact O-CB 3.38Å; D285-K288 PolarHBondContact O-N 2.78Å; D285-A289 PolarHBondContact O-N 2.92Å; D285-K321 WeakPolarHBondContact OD1-CE 3.09Å; D285-K321 IonicContact OD1-NZ 3.63Å; D285-K321 PolarHBondContact OD1-NZ 3.01Å; D285-K321 IonicContact OD2-NZ 3.82Å; D285-K321 PolarHBondContact OD2-NZ 3.15Å
286	E	98	Very high	97.5	Very high	122 Å²	122	50.6 Å²	50.6	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-51.4	172.1	-71.8	174.3	-175.8	0	0	111.6	D282 K288 A289 E290	D282-E286 WeakPolarHBondContact O-CG 3.26Å; D282-E286 PolarHBondContact O-N 3.22Å; E286-K288 PolarHBondContact O-N 2.92Å; E286-A289 WeakPolarHBondContact O-CB 3.28Å; E286-A289 PolarHBondContact O-N 3.29Å; E286-A289 VanDerWaalsContact O-N 3.1Å; E286-E290 PolarHBondContact O-N 2.86Å
287	M	98.3	Very high	97.5	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-30.8	177.7	-73.8	-174.7	-75.6	0	0	112.5	N242 I245 M249 L262 V279 E283 F284 A291	N242-M287 HydrophobicContact CB-SD 4.29Å; I245-M287 HydrophobicContact CB-SD 4.27Å; I245-M287 HydrophobicContact CG2-SD 3.72Å; M249-M287 HydrophobicContact CE-CB 3.92Å; M249-M287 HydrophobicContact CE-CG 4.5Å; L262-M287 HydrophobicContact CD2-CB 3.72Å; L262-M287 HydrophobicContact CD2-CE 3.65Å; L262-M287 HydrophobicContact CD2-CG 4.29Å; L262-M287 HydrophobicContact CD2-SD 3.62Å; V279-M287 HydrophobicContact CG1-CE 3.87Å; E283-M287 HydrophobicContact CB-CE 4.42Å; E283-M287 VanDerWaalsContact O-CE 3.28Å; E283-M287 WeakPolarHBondContact O-CE 3.03Å; E283-M287 WeakPolarHBondContact O-CG 3.5Å; E283-M287 PolarHBondContact O-N 2.84Å; F284-M287 HydrophobicContact CD1-CE 4.48Å; M287-A291 WeakPolarHBondContact O-CB 3.31Å; M287-A291 PolarHBondContact O-N 2.82Å
288	K	97.8	Very high	97.4	Very high	30 Å²	30	48.1 Å²	48.1	13%	0.13	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-45.1	172.1	-175.6	179.8	174.4	179.3	0	111.4	F284 D285 E286 E290 A291 L292 A299 C301 E319	F284-K288 WeakPolarHBondContact O-CB 3.09Å; F284-K288 PolarHBondContact O-N 3.24Å; D285-K288 WeakPolarHBondContact O-CB 3.38Å; D285-K288 PolarHBondContact O-N 2.78Å; E286-K288 PolarHBondContact O-N 2.92Å; K288-E290 VanDerWaalsContact C-N 3.33Å; K288-E290 PolarHBondContact O-N 3.15Å; K288-A291 PolarHBondContact O-N 2.67Å; K288-L292 HydrophobicContact CG-CD1 4.22Å; K288-L292 WeakPolarHBondContact O-CG 3.49Å; K288-L292 PolarHBondContact O-N 3.21Å; K288-A299 WeakPolarHBondContact CE-O 3.4Å; K288-A299 HydrophobicContact CG-CB 4.36Å; K288-C301 HydrophobicContact CB-CB 3.86Å; K288-C301 HydrophobicContact CG-CB 4.4Å; K288-E319 IonicContact NZ-OE1 3.41Å; K288-E319 PolarHBondContact NZ-OE1 3.46Å
289	A	98.2	Very high	97.3	Very high	58 Å²	58	46.1 Å²	46.1	48%	0.479	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-44	178.2	0	0	0	0	0	111.1	D285 E286 L292 A293	D285-A289 PolarHBondContact O-N 2.92Å; E286-A289 WeakPolarHBondContact O-CB 3.28Å; E286-A289 PolarHBondContact O-N 3.29Å; E286-A289 VanDerWaalsContact O-N 3.1Å; A289-L292 PolarHBondContact O-N 3.37Å; A289-A293 WeakPolarHBondContact O-CB 3.29Å; A289-A293 PolarHBondContact O-N 2.98Å
290	E	98.5	Very high	97.2	Very high	87 Å²	87	46.1 Å²	46.1	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-47.9	173.4	-71.8	-67.3	167.3	0	0	111.8	I246 E286 K288 L292 A293 M294	I246-E290 HydrophobicContact CD1-CG 4.21Å; E286-E290 PolarHBondContact O-N 2.86Å; K288-E290 VanDerWaalsContact C-N 3.33Å; K288-E290 PolarHBondContact O-N 3.15Å; E290-L292 PolarHBondContact O-N 3.22Å; E290-A293 PolarHBondContact O-N 3.39Å; E290-M294 HydrophobicContact CB-CE 4.39Å; E290-M294 VanDerWaalsContact O-CG 3.28Å; E290-M294 WeakPolarHBondContact O-CG 3.4Å; E290-M294 PolarHBondContact O-N 3.34Å
291	A	98.3	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-47.1	177	0	0	0	0	0	112.1	M249 L260 M287 K288 A293 M294 G295 F296 A299	M249-A291 HydrophobicContact SD-CB 3.87Å; L260-A291 HydrophobicContact CD2-CB 3.69Å; M287-A291 WeakPolarHBondContact O-CB 3.31Å; M287-A291 PolarHBondContact O-N 2.82Å; K288-A291 PolarHBondContact O-N 2.67Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 2.99Å; A291-M294 PolarHBondContact O-N 3.14Å; A291-G295 PolarHBondContact O-N 2.85Å; A291-F296 HydrophobicContact CB-CD2 3.77Å; A291-F296 HydrophobicContact CB-CE2 4.35Å; A291-F296 HydrophobicContact CB-CG 4.45Å; A291-F296 VanDerWaalsContact O-CD2 3.26Å; A291-F296 WeakPolarHBondContact O-CD2 3.45Å; A291-F296 PolarHBondContact O-N 2.71Å; A291-A299 HydrophobicContact CB-CB 3.85Å
292	L	97.9	Very high	97.2	Very high	83 Å²	83	42.8 Å²	42.8	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-63.9	-39.4	178.4	-66.4	174.9	0	0	0	111.6	K288 A289 E290 M294 G295 A299	K288-L292 HydrophobicContact CG-CD1 4.22Å; K288-L292 WeakPolarHBondContact O-CG 3.49Å; K288-L292 PolarHBondContact O-N 3.21Å; A289-L292 PolarHBondContact O-N 3.37Å; E290-L292 PolarHBondContact O-N 3.22Å; L292-M294 VanDerWaalsContact C-N 3.3Å; L292-M294 PolarHBondContact O-N 3.44Å; L292-G295 PolarHBondContact O-N 3.2Å; L292-A299 HydrophobicContact CD2-CB 4.23Å; L292-A299 HydrophobicContact CG-CB 4.47Å
293	A	98.2	Very high	97	Very high	86 Å²	86	38 Å²	38	71%	0.711	23%	0.225	S	C	*	.	H	α-helix	trans	-64	-32.6	175.2	0	0	0	0	0	112.9	A289 E290 A291 G295	A289-A293 WeakPolarHBondContact O-CB 3.29Å; A289-A293 PolarHBondContact O-N 2.98Å; E290-A293 PolarHBondContact O-N 3.39Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 2.99Å; A293-G295 PolarHBondContact O-N 3.22Å
294	M	97.8	Very high	96.7	Very high	42 Å²	42	37.1 Å²	37.1	21%	0.207	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-3.5	172.2	-64.9	179.1	-161.5	0	0	113.8	I246 M249 R250 R253 E290 A291 L292	I246-M294 HydrophobicContact CG2-CE 3.49Å; I246-M294 VanDerWaalsContact CG2-CE 3.49Å; M249-M294 HydrophobicContact CB-CE 4.21Å; M249-M294 HydrophobicContact CB-SD 3.74Å; R250-M294 HydrophobicContact CB-SD 4.5Å; R250-M294 HydrophobicContact CG-CE 3.69Å; R250-M294 HydrophobicContact CG-SD 3.62Å; R253-M294 HydrophobicContact CG-CB 4.1Å; R253-M294 PolarHBondContact NE-O 2.71Å; E290-M294 HydrophobicContact CB-CE 4.39Å; E290-M294 VanDerWaalsContact O-CG 3.28Å; E290-M294 WeakPolarHBondContact O-CG 3.4Å; E290-M294 PolarHBondContact O-N 3.34Å; A291-M294 PolarHBondContact O-N 3.14Å; L292-M294 VanDerWaalsContact C-N 3.3Å; L292-M294 PolarHBondContact O-N 3.44Å
295	G	97.7	Very high	96.4	Very high	36 Å²	36	37.1 Å²	37.1	37%	0.371	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	26.7	176.4	0	0	0	0	0	114.7	R253 A291 L292 A293 T297	R253-G295 PolarHBondContact NE-O 3.31Å; R253-G295 PolarHBondContact NH2-O 3.39Å; A291-G295 PolarHBondContact O-N 2.85Å; L292-G295 PolarHBondContact O-N 3.2Å; A293-G295 PolarHBondContact O-N 3.22Å; G295-T297 PolarHBondContact O-N 2.64Å
296	F	98	Very high	96.2	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.031	22%	0.217	C	C	.	.			trans	-61.8	130	158.9	-76.5	-83.4	0	0	0	108.6	M249 L252 R253 V257 T258 L260 A291 H298	M249-F296 HydrophobicContact CB-CE2 3.98Å; M249-F296 HydrophobicContact CB-CZ 4.45Å; M249-F296 HydrophobicContact CG-CE2 4.48Å; L252-F296 HydrophobicContact CB-CE1 4.33Å; L252-F296 HydrophobicContact CB-CZ 3.83Å; L252-F296 HydrophobicContact CD1-CZ 4.38Å; R253-F296 VanDerWaalsContact CD-CE2 3.47Å; R253-F296 HydrophobicContact CG-CD2 3.85Å; R253-F296 HydrophobicContact CG-CE1 4.29Å; R253-F296 HydrophobicContact CG-CE2 3.39Å; R253-F296 HydrophobicContact CG-CG 4.48Å; R253-F296 HydrophobicContact CG-CZ 3.64Å; V257-F296 HydrophobicContact CB-CE1 4.46Å; V257-F296 HydrophobicContact CG1-CE1 4.14Å; V257-F296 WeakPolarHBondContact O-CE1 3.5Å; T258-F296 CarbonylContact O-C 3.45Å; T258-F296 WeakPolarHBondContact O-CA 3.24Å; L260-F296 HydrophobicContact CB-CD1 3.76Å; L260-F296 HydrophobicContact CB-CE1 3.85Å; L260-F296 HydrophobicContact CB-CG 4.17Å; L260-F296 HydrophobicContact CB-CZ 4.32Å; L260-F296 HydrophobicContact CD2-CE2 4.37Å; L260-F296 HydrophobicContact CD2-CZ 4.49Å; A291-F296 HydrophobicContact CB-CD2 3.77Å; A291-F296 HydrophobicContact CB-CE2 4.35Å; A291-F296 HydrophobicContact CB-CG 4.45Å; A291-F296 VanDerWaalsContact O-CD2 3.26Å; A291-F296 WeakPolarHBondContact O-CD2 3.45Å; A291-F296 PolarHBondContact O-N 2.71Å; F296-H298 PolarHBondContact O-N 3.34Å
297	T	95.7	Very high	95.6	Very high	103 Å²	103	32 Å²	32	63%	0.632	20%	0.195	S	C	*	.	S	Bend	trans	-69.7	-26.1	177.7	59.1	0	0	0	0	111.5	T258 G295	T258-T297 PolarHBondContact O-N 3.38Å; T258-T297 PolarHBondContact O-OG1 3.22Å; T258-T297 VanDerWaalsContact O-OG1 3.1Å; G295-T297 PolarHBondContact O-N 2.64Å
298	H	93.4	Very high	94.8	Very high	16 Å²	16	32.7 Å²	32.7	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.5	173.2	-170.2	66.8	0	0	0	111	M259 L260 F296 Q314 G317 M318	M259-H298 WeakPolarHBondContact CA-O 3.4Å; M259-H298 HydrophobicContact CE-CB 4.28Å; M259-H298 HydrophobicContact CG-CB 4.38Å; L260-H298 PolarHBondContact N-O 3.16Å; F296-H298 PolarHBondContact O-N 3.34Å; H298-Q314 PolarHBondContact CD2-O 3.17Å; H298-Q314 WeakPolarHBondContact NE2-CA 3.38Å; H298-G317 WeakPolarHBondContact ND1-CA 3.17Å; H298-M318 PolarHBondContact CE1-O 3.48Å
299	A	95.6	Very high	93.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	111.9	174.5	0	0	0	0	0	109.5	L260 K288 A291 L292	L260-A299 HydrophobicContact CB-CB 4.27Å; L260-A299 WeakPolarHBondContact O-CA 3.17Å; K288-A299 WeakPolarHBondContact CE-O 3.4Å; K288-A299 HydrophobicContact CG-CB 4.36Å; A291-A299 HydrophobicContact CB-CB 3.85Å; L292-A299 HydrophobicContact CD2-CB 4.23Å; L292-A299 HydrophobicContact CG-CB 4.47Å
300	A	95.2	Very high	92.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.8	169.7	0	0	0	0	0	108.5	L260 T261 L262 V305 Q314	L260-A300 PolarHBondContact O-N 3.16Å; T261-A300 CarbonylContact C-O 3.59Å; T261-A300 VanDerWaalsContact CA-O 3.28Å; T261-A300 WeakPolarHBondContact CA-O 3.4Å; T261-A300 HydrophobicContact CG2-CB 4.33Å; L262-A300 PolarHBondContact N-O 3.44Å; A300-V305 HydrophobicContact CB-CG1 3.94Å; A300-V305 HydrophobicContact CB-CG2 4.44Å; A300-V305 WeakPolarHBondContact O-CG1 3.41Å; A300-Q314 HydrophobicContact CB-CG 4.14Å
301	C	96.3	Very high	91.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.2	-177.2	-57.8	0	0	0	0	108.5	L262 F284 K288	L262-C301 HydrophobicContact CB-CB 4.18Å; L262-C301 WeakPolarHBondContact O-CA 3.4Å; F284-C301 HydrophobicContact CB-CB 4.34Å; F284-C301 HydrophobicContact CD1-CB 4.26Å; F284-C301 WeakPolarHBondContact O-CB 3.18Å; K288-C301 HydrophobicContact CB-CB 3.86Å; K288-C301 HydrophobicContact CG-CB 4.4Å
302	G	95.3	Very high	90.3	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	162.1	178.4	0	0	0	0	0	112.8	L262 G263 F304 V305	L262-G302 PolarHBondContact O-N 3.41Å; G263-G302 WeakPolarHBondContact CA-O 3.4Å; G302-F304 VanDerWaalsContact C-N 3.26Å; G302-F304 PolarHBondContact O-N 3.08Å; G302-V305 WeakPolarHBondContact O-CB 3.29Å; G302-V305 PolarHBondContact O-N 3.39Å; G302-V305 VanDerWaalsContact O-N 3.08Å
303	P	93.8	Very high	89.4	Confident	13 Å²	13	24.1 Å²	24.1	8%	0.084	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.2	-174.4	-25.1	33.8	0	0	0	113.3	Q264 F284 R306	Q264-P303 HydrophobicContact CB-CB 4.33Å; Q264-P303 VanDerWaalsContact CB-O 3.29Å; Q264-P303 WeakPolarHBondContact CB-O 3.5Å; Q264-P303 PolarHBondContact N-O 3.29Å; F284-P303 HydrophobicContact CD2-CG 4.02Å; F284-P303 HydrophobicContact CE2-CB 4.27Å; F284-P303 HydrophobicContact CE2-CG 3.85Å; P303-R306 PolarHBondContact O-NH1 2.95Å
304	F	91.5	Very high	88.2	Confident	30 Å²	30	20.1 Å²	20.1	13%	0.132	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-3.5	-178.3	-65.1	-67.9	0	0	0	113.5	M41 I43 P74 N75 G302 R306	M41-F304 HydrophobicContact CB-CZ 4.37Å; I43-F304 HydrophobicContact CG2-CD1 3.99Å; I43-F304 HydrophobicContact CG2-CE1 3.47Å; I43-F304 VanDerWaalsContact CG2-CE1 3.47Å; I43-F304 HydrophobicContact CG2-CE2 4.46Å; I43-F304 HydrophobicContact CG2-CZ 3.73Å; P74-F304 HydrophobicContact CB-CD1 4.44Å; P74-F304 HydrophobicContact CG-CD1 4.26Å; N75-F304 PolarHBondContact ND2-O 2.93Å; G302-F304 VanDerWaalsContact C-N 3.26Å; G302-F304 PolarHBondContact O-N 3.08Å; F304-R306 PolarHBondContact O-N 3.35Å
305	V	92.4	Very high	86.7	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.006	12%	0.124	C	C	.	.			trans	-59.8	137.6	178.8	176.3	0	0	0	0	110.6	T261 G263 A300 G302 Y309	T261-V305 HydrophobicContact CG2-CG1 4.27Å; G263-V305 WeakPolarHBondContact CA-O 3.29Å; A300-V305 HydrophobicContact CB-CG1 3.94Å; A300-V305 HydrophobicContact CB-CG2 4.44Å; A300-V305 WeakPolarHBondContact O-CG1 3.41Å; G302-V305 WeakPolarHBondContact O-CB 3.29Å; G302-V305 PolarHBondContact O-N 3.39Å; G302-V305 VanDerWaalsContact O-N 3.08Å; V305-Y309 HydrophobicContact CG2-CD1 4.28Å
306	R	91.6	Very high	85.5	Confident	55 Å²	55	24.7 Å²	24.7	21%	0.208	13%	0.133	C	C	.	.			trans	-132.6	160.4	172.9	-60.2	-65.4	178.9	-106.7	13	107.8	Q264 L266 P303 F304 S308 Y309	Q264-R306 PolarHBondContact O-NH1 3.33Å; Q264-R306 PolarHBondContact O-NH2 3.41Å; Q264-R306 VanDerWaalsContact O-NH2 3.15Å; L266-R306 VanDerWaalsContact CD1-NH2 3.26Å; L266-R306 VanDerWaalsContact CG-NH2 3.32Å; P303-R306 PolarHBondContact O-NH1 2.95Å; F304-R306 PolarHBondContact O-N 3.35Å; R306-S308 PolarHBondContact O-N 2.86Å; R306-Y309 WeakPolarHBondContact O-CB 3.39Å; R306-Y309 PolarHBondContact O-N 3.34Å
307	S	87.1	Confident	84.1	Confident	16 Å²	16	26.7 Å²	26.7	11%	0.112	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.7	178.9	-54.3	0	0	0	0	113.1	N194 K231	N194-S307 PolarHBondContact ND2-OG 3.18Å; N194-S307 PolarHBondContact OD1-OG 2.72Å; K231-S307 VanDerWaalsContact CE-O 3.3Å; K231-S307 WeakPolarHBondContact CE-O 3.26Å; K231-S307 PolarHBondContact NZ-O 3.21Å
308	S	81.5	Confident	82.8	Confident	17 Å²	17	26.4 Å²	26.4	12%	0.119	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5	179.1	62.6	0	0	0	0	115.7	T86 R306 H310 A311	T86-S308 WeakPolarHBondContact OG1-CB 3.41Å; T86-S308 PolarHBondContact OG1-OG 3.33Å; R306-S308 PolarHBondContact O-N 2.86Å; S308-H310 PolarHBondContact O-N 3.08Å; S308-H310 VanDerWaalsContact O-N 3.12Å; S308-A311 PolarHBondContact O-N 3.37Å
309	Y	77.1	Confident	81.8	Confident	12 Å²	12	31.5 Å²	31.5	5%	0.047	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	110.3	-176.7	-179.5	-127.5	0	0	0	111.3	N75 E78 V305 R306 A311 Q314 V320	N75-Y309 HydrophobicContact CB-CD2 3.68Å; N75-Y309 HydrophobicContact CB-CE2 3.8Å; N75-Y309 WeakPolarHBondContact ND2-CD2 3.36Å; E78-Y309 VanDerWaalsContact CD-OH 3.22Å; E78-Y309 PolarHBondContact OE1-OH 3.28Å; E78-Y309 VanDerWaalsContact OE1-OH 3.06Å; E78-Y309 VanDerWaalsContact OE2-CE2 3.31Å; E78-Y309 WeakPolarHBondContact OE2-CE2 3.24Å; E78-Y309 PolarHBondContact OE2-OH 3.34Å; V305-Y309 HydrophobicContact CG2-CD1 4.28Å; R306-Y309 WeakPolarHBondContact O-CB 3.39Å; R306-Y309 PolarHBondContact O-N 3.34Å; Y309-A311 PolarHBondContact O-N 3.35Å; Y309-Q314 PolarHBondContact O-NE2 2.58Å; Y309-V320 HydrophobicContact CD1-CB 4.44Å; Y309-V320 HydrophobicContact CD1-CG1 3.54Å; Y309-V320 HydrophobicContact CE1-CB 4.47Å; Y309-V320 HydrophobicContact CE1-CG1 3.41Å; Y309-V320 VanDerWaalsContact CE1-CG1 3.41Å; Y309-V320 HydrophobicContact CG-CG1 4.42Å
310	H	76.9	Confident	80.6	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.037	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	46.3	-170.7	-63.3	-78.1	0	0	0	112.7	E78 H82 S308 D312 L313 Q314 V320	E78-H310 IonicContact OE1-CD2 3.83Å; E78-H310 IonicContact OE1-CE1 2.88Å; E78-H310 PolarHBondContact OE1-CE1 3.19Å; E78-H310 IonicContact OE1-NE2 3.73Å; E78-H310 PolarHBondContact OE1-NE2 2.82Å; H82-H310 AromaticContact CG-CE1 4Å; H82-H310 AromaticContact ND1-CE1 3.88Å; S308-H310 PolarHBondContact O-N 3.08Å; S308-H310 VanDerWaalsContact O-N 3.12Å; H310-D312 PolarHBondContact O-N 2.98Å; H310-D312 VanDerWaalsContact O-N 3.08Å; H310-L313 HydrophobicContact CB-CB 3.91Å; H310-L313 HydrophobicContact CB-CD1 3.79Å; H310-L313 HydrophobicContact CB-CG 3.88Å; H310-L313 WeakPolarHBondContact O-CA 3.22Å; H310-L313 WeakPolarHBondContact O-CB 3.47Å; H310-L313 PolarHBondContact O-N 2.98Å; H310-Q314 WeakPolarHBondContact O-CG 3.33Å; H310-Q314 PolarHBondContact O-N 3.21Å; H310-V320 HydrophobicContact CB-CG1 3.62Å; H310-V320 HydrophobicContact CB-CG2 4.26Å; H310-V320 WeakPolarHBondContact CD2-CG1 3.48Å
311	A	71	Confident	79	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-30	-178.9	0	0	0	0	0	113	Y130 V132 S308 Y309 Q314 A315	Y130-A311 HydrophobicContact CD1-CB 4Å; Y130-A311 HydrophobicContact CE1-CB 3.45Å; Y130-A311 VanDerWaalsContact CE1-CB 3.45Å; V132-A311 HydrophobicContact CG2-CB 3.6Å; S308-A311 PolarHBondContact O-N 3.37Å; Y309-A311 PolarHBondContact O-N 3.35Å; A311-Q314 PolarHBondContact O-N 2.97Å; A311-A315 VanDerWaalsContact O-CB 3.25Å; A311-A315 WeakPolarHBondContact O-CB 3.43Å; A311-A315 PolarHBondContact O-N 3.29Å
312	D	72.1	Confident	78.1	Confident	19 Å²	19	38.5 Å²	38.5	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-34.7	174.2	68.5	-59.4	0	0	0	113.3	T84 Y130 H310 K316	T84-D312 PolarHBondContact OG1-OD1 3.19Å; Y130-D312 HydrophobicContact CD1-CB 4.42Å; Y130-D312 HydrophobicContact CD2-CB 4.16Å; Y130-D312 HydrophobicContact CG-CB 3.83Å; H310-D312 PolarHBondContact O-N 2.98Å; H310-D312 VanDerWaalsContact O-N 3.08Å; D312-K316 WeakPolarHBondContact O-CD 3.3Å; D312-K316 VanDerWaalsContact O-CG 3.24Å; D312-K316 WeakPolarHBondContact O-CG 3.35Å; D312-K316 PolarHBondContact O-N 3.38Å
313	L	78.5	Confident	77.2	Confident	39 Å²	39	40.4 Å²	40.4	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-75.2	-42.4	172.9	-58.2	-172.7	0	0	0	110.5	H310 A315 K316 G317 M318 V320	H310-L313 HydrophobicContact CB-CB 3.91Å; H310-L313 HydrophobicContact CB-CD1 3.79Å; H310-L313 HydrophobicContact CB-CG 3.88Å; H310-L313 WeakPolarHBondContact O-CA 3.22Å; H310-L313 WeakPolarHBondContact O-CB 3.47Å; H310-L313 PolarHBondContact O-N 2.98Å; L313-A315 VanDerWaalsContact C-N 3.35Å; L313-A315 PolarHBondContact O-N 3.35Å; L313-K316 CarbonylContact O-C 3.49Å; L313-K316 WeakPolarHBondContact O-CA 3.38Å; L313-K316 PolarHBondContact O-N 3.46Å; L313-G317 PolarHBondContact O-N 3.2Å; L313-G317 VanDerWaalsContact O-N 3.15Å; L313-M318 HydrophobicContact CB-CB 4.03Å; L313-M318 HydrophobicContact CD2-CE 4.19Å; L313-M318 HydrophobicContact CD2-SD 3.79Å; L313-M318 PolarHBondContact O-N 3.49Å; L313-V320 HydrophobicContact CB-CG2 4.19Å
314	Q	74.4	Confident	76.3	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-45.2	176.3	-64.3	-177.7	11.5	0	0	111.7	K231 M259 T261 H298 A300 Y309 H310 A311 K316 G317 V320	K231-Q314 VanDerWaalsContact CE-OE1 3.22Å; M259-Q314 HydrophobicContact CE-CB 4.36Å; T261-Q314 VanDerWaalsContact CG2-OE1 3.3Å; H298-Q314 PolarHBondContact CD2-O 3.17Å; H298-Q314 WeakPolarHBondContact NE2-CA 3.38Å; A300-Q314 HydrophobicContact CB-CG 4.14Å; Y309-Q314 PolarHBondContact O-NE2 2.58Å; H310-Q314 WeakPolarHBondContact O-CG 3.33Å; H310-Q314 PolarHBondContact O-N 3.21Å; A311-Q314 PolarHBondContact O-N 2.97Å; Q314-K316 PolarHBondContact O-N 3.32Å; Q314-G317 PolarHBondContact O-N 2.89Å; Q314-V320 HydrophobicContact CG-CG2 3.77Å
315	A	65.2	Low	75.4	Confident	45 Å²	45	42.6 Å²	42.6	37%	0.372	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	177.1	0	0	0	0	0	113.1	Y130 A311 L313	Y130-A315 HydrophobicContact CD2-CB 4.4Å; Y130-A315 HydrophobicContact CE2-CB 3.49Å; Y130-A315 VanDerWaalsContact CE2-CB 3.49Å; A311-A315 VanDerWaalsContact O-CB 3.25Å; A311-A315 WeakPolarHBondContact O-CB 3.43Å; A311-A315 PolarHBondContact O-N 3.29Å; L313-A315 VanDerWaalsContact C-N 3.35Å; L313-A315 PolarHBondContact O-N 3.35Å
316	K	73.2	Confident	74.4	Confident	130 Å²	130	45.2 Å²	45.2	57%	0.565	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	0.3	173.1	-68.1	170.4	-171.3	169	0	113.4	D312 L313 Q314 M318	D312-K316 WeakPolarHBondContact O-CD 3.3Å; D312-K316 VanDerWaalsContact O-CG 3.24Å; D312-K316 WeakPolarHBondContact O-CG 3.35Å; D312-K316 PolarHBondContact O-N 3.38Å; L313-K316 CarbonylContact O-C 3.49Å; L313-K316 WeakPolarHBondContact O-CA 3.38Å; L313-K316 PolarHBondContact O-N 3.46Å; Q314-K316 PolarHBondContact O-N 3.32Å; K316-M318 VanDerWaalsContact C-N 3.3Å; K316-M318 HydrophobicContact CB-CG 4.23Å; K316-M318 HydrophobicContact CB-SD 4.49Å; K316-M318 PolarHBondContact O-N 3.43Å
317	G	68.2	Low	73.2	Confident	48 Å²	48	44.5 Å²	44.5	50%	0.495	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.7	-177.6	0	0	0	0	0	114.7	H298 L313 Q314	H298-G317 WeakPolarHBondContact ND1-CA 3.17Å; L313-G317 PolarHBondContact O-N 3.2Å; L313-G317 VanDerWaalsContact O-N 3.15Å; Q314-G317 PolarHBondContact O-N 2.89Å
318	M	68.9	Low	72.2	Confident	98 Å²	98	46.6 Å²	46.6	48%	0.483	25%	0.25	S	S	.	.			trans	-80.2	146.6	-177.2	-67.1	179.9	65.2	0	0	111.7	H298 L313 K316 V320	H298-M318 PolarHBondContact CE1-O 3.48Å; L313-M318 HydrophobicContact CB-CB 4.03Å; L313-M318 HydrophobicContact CD2-CE 4.19Å; L313-M318 HydrophobicContact CD2-SD 3.79Å; L313-M318 PolarHBondContact O-N 3.49Å; K316-M318 VanDerWaalsContact C-N 3.3Å; K316-M318 HydrophobicContact CB-CG 4.23Å; K316-M318 HydrophobicContact CB-SD 4.49Å; K316-M318 PolarHBondContact O-N 3.43Å; M318-V320 WeakPolarHBondContact O-CG2 3.3Å
319	E	73	Confident	71.5	Confident	122 Å²	122	48.8 Å²	48.8	57%	0.57	26%	0.26	S	S	*	.			trans	-67.3	137.1	180	-175.3	164.2	-134.3	0	0	112.2	K288 K321	K288-E319 IonicContact NZ-OE1 3.41Å; K288-E319 PolarHBondContact NZ-OE1 3.46Å; E319-K321 HydrophobicContact CG-CG 4.42Å; E319-K321 WeakPolarHBondContact OE1-CE 3.11Å
320	V	69	Low	71.1	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.042	28%	0.278	C	S	.	.			trans	-138.7	130.7	177.5	-147.9	0	0	0	0	108.2	Y309 H310 L313 Q314 M318	Y309-V320 HydrophobicContact CD1-CB 4.44Å; Y309-V320 HydrophobicContact CD1-CG1 3.54Å; Y309-V320 HydrophobicContact CE1-CB 4.47Å; Y309-V320 HydrophobicContact CE1-CG1 3.41Å; Y309-V320 VanDerWaalsContact CE1-CG1 3.41Å; Y309-V320 HydrophobicContact CG-CG1 4.42Å; H310-V320 HydrophobicContact CB-CG1 3.62Å; H310-V320 HydrophobicContact CB-CG2 4.26Å; H310-V320 WeakPolarHBondContact CD2-CG1 3.48Å; L313-V320 HydrophobicContact CB-CG2 4.19Å; Q314-V320 HydrophobicContact CG-CG2 3.77Å; M318-V320 WeakPolarHBondContact O-CG2 3.3Å
321	K	62.5	Low	70.5	Confident	105 Å²	105	55.9 Å²	55.9	46%	0.457	30%	0.3	S	S	.	.			trans	-134.5	0	-178.1	-74.8	-168.2	170.1	-165.8	0	111.6	D285 E319	D285-K321 WeakPolarHBondContact OD1-CE 3.09Å; D285-K321 IonicContact OD1-NZ 3.63Å; D285-K321 PolarHBondContact OD1-NZ 3.01Å; D285-K321 IonicContact OD2-NZ 3.82Å; D285-K321 PolarHBondContact OD2-NZ 3.15Å; E319-K321 HydrophobicContact CG-CG 4.42Å; E319-K321 WeakPolarHBondContact OE1-CE 3.11Å

Retrieved 321 of 321 residues in 177.3 ms (Link to these results)

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