A0A077Z7Y9_TRITR Loading...

Methionine aminopeptidase

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val).

AlphaFold DB , UniProt , Accession A0A077Z7Y9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 390 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.1	Very low	74.5	Confident	241 Å²	241	99.9 Å²	99.9	100%	1.187	55%	0.552	S	S	*	*				0	107.9	0	-70.9	178.9	-127.6	0	0	106.7
2	T	46.7	Very low	75.1	Confident	134 Å²	134	108.6 Å²	108.6	82%	0.822	59%	0.586	S	S	*	*			trans	-85.4	109.3	176.9	42.9	0	0	0	0	108.1	V4	T2-V4 PolarHBondContact O-N 3.02Å
3	D	58.9	Low	76	Confident	148 Å²	148	103.1 Å²	103.1	79%	0.791	56%	0.56	S	S	*	*			trans	-60.1	118.4	172.9	-79.1	-36.7	0	0	0	109.3	V5	D3-V5 PolarHBondContact O-N 3.19Å
4	V	68.2	Low	76.4	Confident	125 Å²	125	99.4 Å²	99.4	76%	0.758	56%	0.557	S	S	*	*			trans	-74	98.3	176.9	-178.6	0	0	0	0	107.7	T2 N6	T2-V4 PolarHBondContact O-N 3.02Å; V4-N6 PolarHBondContact O-N 3.38Å
5	V	80.2	Confident	77.2	Confident	90 Å²	90	101.5 Å²	101.5	55%	0.545	56%	0.559	S	S	.	*			trans	-77.4	113.3	175.8	-175.5	0	0	0	0	108.8	D3 P16	D3-V5 PolarHBondContact O-N 3.19Å; V5-P16 HydrophobicContact CG1-CB 3.71Å; V5-P16 HydrophobicContact CG1-CG 4.02Å
6	N	88.5	Confident	78	Confident	63 Å²	63	101 Å²	101	34%	0.337	56%	0.561	S	S	.	*			trans	-71.5	141.1	171.5	-61.9	-65.9	0	0	0	109.8	V4 P16 A17 F33	V4-N6 PolarHBondContact O-N 3.38Å; N6-P16 CarbonylContact O-C 3.55Å; N6-P16 WeakPolarHBondContact O-CA 3.47Å; N6-A17 WeakPolarHBondContact CB-O 3.41Å; N6-A17 PolarHBondContact O-N 2.8Å; N6-F33 HydrophobicContact CB-CB 3.95Å; N6-F33 HydrophobicContact CB-CD1 3.81Å; N6-F33 HydrophobicContact CB-CD2 3.74Å; N6-F33 HydrophobicContact CB-CE1 4.21Å; N6-F33 HydrophobicContact CB-CE2 4.14Å; N6-F33 HydrophobicContact CB-CG 3.56Å; N6-F33 HydrophobicContact CB-CZ 4.36Å; N6-F33 WeakPolarHBondContact ND2-CE1 3.45Å; N6-F33 WeakPolarHBondContact ND2-CZ 3.35Å; N6-F33 WeakPolarHBondContact OD1-CE2 3.47Å
7	L	90.6	Very high	78.8	Confident	106 Å²	106	95.4 Å²	95.4	56%	0.555	53%	0.531	S	S	*	.	B	Isolated β-bridge	trans	-105.6	144.8	-179.7	-61.2	174.5	0	0	0	111.2	Q9 G14	L7-Q9 PolarHBondContact O-N 3.2Å; L7-G14 WeakPolarHBondContact CD2-O 3.44Å
8	C	90.3	Very high	79.4	Confident	9 Å²	9	96.8 Å²	96.8	6%	0.061	54%	0.543	C	S	.	.			trans	-61.4	126.8	177.5	-173.4	0	0	0	0	111.2	T10 C13 K15 A17 F33 C35	C8-T10 VanDerWaalsContact C-N 3.32Å; C8-T10 PolarHBondContact O-N 3.21Å; C8-T10 PolarHBondContact SG-OG1 2.95Å; C8-C13 HydrophobicContact CB-CB 3.95Å; C8-K15 WeakPolarHBondContact CB-O 3.4Å; C8-K15 PolarHBondContact N-O 2.87Å; C8-A17 HydrophobicContact CB-CB 4.08Å; C8-F33 WeakPolarHBondContact CA-O 3.41Å; C8-C35 HydrophobicContact CB-CB 3.99Å; C8-C35 PolarHBondContact SG-N 3.18Å; C8-C35 VanDerWaalsContact SG-N 3.41Å; C8-C35 VanDerWaalsContact SG-SG 3.64Å
9	Q	87.3	Confident	79.9	Confident	86 Å²	86	95.1 Å²	95.1	40%	0.402	53%	0.532	S	S	.	.			trans	-82.1	-2.8	-178.2	-67.1	-152.8	-2.2	0	0	114.9	L7 A32 F33 F34	L7-Q9 PolarHBondContact O-N 3.2Å; Q9-A32 HydrophobicContact CG-CB 4.4Å; Q9-F33 PolarHBondContact N-O 2.71Å; Q9-F34 HydrophobicContact CB-CE1 4.4Å; Q9-F34 HydrophobicContact CB-CZ 4.35Å
10	T	83.3	Confident	80.4	Confident	35 Å²	35	95.8 Å²	95.8	22%	0.215	53%	0.529	C	S	.	.	S	Bend	trans	-61.6	130.4	170.1	-50.8	0	0	0	0	109.3	C8 Q12 C13 A39	C8-T10 VanDerWaalsContact C-N 3.32Å; C8-T10 PolarHBondContact O-N 3.21Å; C8-T10 PolarHBondContact SG-OG1 2.95Å; T10-Q12 PolarHBondContact O-N 3.42Å; T10-C13 WeakPolarHBondContact O-CB 3.33Å; T10-C13 PolarHBondContact O-N 3.15Å; T10-A39 PolarHBondContact OG1-O 3.43Å
11	P	80.2	Confident	80.6	Confident	62 Å²	62	91.8 Å²	91.8	40%	0.403	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	133.2	177.2	-26.8	32.7	0	0	0	111.4	C13 M51	P11-C13 PolarHBondContact O-N 3.23Å; P11-C13 VanDerWaalsContact O-N 3.09Å; P11-M51 HydrophobicContact CG-CE 3.73Å; P11-M51 HydrophobicContact CG-SD 4.44Å
12	Q	81.6	Confident	82.3	Confident	204 Å²	204	83.4 Å²	83.4	95%	0.953	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	6.8	178.5	-54.1	131.1	9.3	0	0	116.4	T10	T10-Q12 PolarHBondContact O-N 3.42Å
13	C	86.9	Confident	83.8	Confident	37 Å²	37	81 Å²	81	25%	0.25	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-56	-179.4	-174.9	0	0	0	0	113.1	C8 T10 P11 K15 C35	C8-C13 HydrophobicContact CB-CB 3.95Å; T10-C13 WeakPolarHBondContact O-CB 3.33Å; T10-C13 PolarHBondContact O-N 3.15Å; P11-C13 PolarHBondContact O-N 3.23Å; P11-C13 VanDerWaalsContact O-N 3.09Å; C13-K15 PolarHBondContact O-N 3.39Å; C13-C35 PolarHBondContact SG-SG 3.44Å
14	G	82.1	Confident	84.9	Confident	51 Å²	51	74.1 Å²	74.1	53%	0.526	42%	0.42	S	S	.	.			trans	61.7	2.4	175.5	0	0	0	0	0	116.8	L7	L7-G14 WeakPolarHBondContact CD2-O 3.44Å
15	K	88.6	Confident	85.7	Confident	132 Å²	132	72.6 Å²	72.6	57%	0.574	41%	0.407	S	S	*	.			trans	-73.8	151.3	179.6	-65.7	179.6	-177	179.2	0	111.6	C8 C13 A17 C35	C8-K15 WeakPolarHBondContact CB-O 3.4Å; C8-K15 PolarHBondContact N-O 2.87Å; C13-K15 PolarHBondContact O-N 3.39Å; K15-A17 PolarHBondContact O-N 3.16Å; K15-C35 HydrophobicContact CB-CB 3.97Å
16	P	90.3	Very high	85.7	Confident	93 Å²	93	77.2 Å²	77.2	60%	0.604	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-51.2	136.4	166	-26	35.1	0	0	0	111.3	V5 N6	V5-P16 HydrophobicContact CG1-CB 3.71Å; V5-P16 HydrophobicContact CG1-CG 4.02Å; N6-P16 CarbonylContact O-C 3.55Å; N6-P16 WeakPolarHBondContact O-CA 3.47Å
17	A	90.4	Very high	85.4	Confident	5 Å²	5	78.8 Å²	78.8	4%	0.041	43%	0.428	C	S	.	.			trans	-135.5	134.7	-170.5	0	0	0	0	0	112	N6 C8 K15 F33 F34	N6-A17 WeakPolarHBondContact CB-O 3.41Å; N6-A17 PolarHBondContact O-N 2.8Å; C8-A17 HydrophobicContact CB-CB 4.08Å; K15-A17 PolarHBondContact O-N 3.16Å; A17-F33 HydrophobicContact CB-CB 3.71Å; A17-F34 VanDerWaalsContact CB-C 3.43Å; A17-F34 WeakPolarHBondContact CB-O 3.35Å
18	T	89.8	Confident	85.1	Confident	122 Å²	122	83.3 Å²	83.3	75%	0.748	44%	0.443	S	S	*	.			trans	-122.8	-19.7	179.9	54.2	0	0	0	0	113.1	K20	T18-K20 PolarHBondContact O-N 3.24Å
19	L	88.7	Confident	84.6	Confident	64 Å²	64	85.9 Å²	85.9	34%	0.335	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.1	-179.5	-67.6	163	0	0	0	110.6	F33 F34 Q37	L19-F33 CarbonylContact O-C 3.58Å; L19-F33 VanDerWaalsContact O-CA 3.26Å; L19-F33 WeakPolarHBondContact O-CA 3.32Å; L19-F34 HydrophobicContact CB-CB 4.5Å; L19-F34 WeakPolarHBondContact CB-O 3.45Å; L19-F34 PolarHBondContact N-O 3.17Å; L19-F34 PolarHBondContact O-N 3.39Å; L19-Q37 HydrophobicContact CD1-CG 4.48Å
20	K	89.7	Confident	84.5	Confident	108 Å²	108	86.3 Å²	86.3	47%	0.47	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.3	179	-62.6	179.1	-175.2	176.1	0	110.9	T18 P22 L25 P31 A32 F33	T18-K20 PolarHBondContact O-N 3.24Å; K20-P22 WeakPolarHBondContact O-CD 3.49Å; K20-L25 HydrophobicContact CB-CD1 3.86Å; K20-L25 HydrophobicContact CB-CG 4.35Å; K20-L25 HydrophobicContact CD-CD1 4.38Å; K20-L25 HydrophobicContact CD-CD2 4.29Å; K20-P31 HydrophobicContact CB-CB 4.46Å; K20-P31 HydrophobicContact CD-CB 4.2Å; K20-P31 HydrophobicContact CG-CB 4.22Å; K20-A32 CarbonylContact C-O 3.53Å; K20-A32 WeakPolarHBondContact CA-O 3.42Å; K20-F33 HydrophobicContact CD-CE1 4.44Å; K20-F33 HydrophobicContact CG-CD1 4.16Å; K20-F33 HydrophobicContact CG-CE1 3.81Å; K20-F33 HydrophobicContact CG-CZ 4.44Å
21	C	86.3	Confident	84.4	Confident	12 Å²	12	87 Å²	87	8%	0.081	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-62.4	118	173.1	179	0	0	0	0	111.3	V23 C24 L25 A32 F34 L40	C21-V23 PolarHBondContact O-N 3.27Å; C21-C24 HydrophobicContact CB-CB 3.95Å; C21-C24 PolarHBondContact O-N 2.91Å; C21-C24 VanDerWaalsContact SG-SG 3.69Å; C21-L25 WeakPolarHBondContact O-CG 3.39Å; C21-L25 PolarHBondContact O-N 2.91Å; C21-L25 VanDerWaalsContact O-N 3.16Å; C21-A32 HydrophobicContact CB-CB 4.13Å; C21-A32 PolarHBondContact N-O 3.48Å; C21-F34 HydrophobicContact CB-CE2 4.01Å; C21-L40 HydrophobicContact CB-CD1 4.36Å
22	P	80.5	Confident	84.8	Confident	66 Å²	66	84.1 Å²	84.1	43%	0.429	45%	0.452	S	S	.	.	H	α-helix	trans	-64.9	-27.2	-179.6	23.5	-31.1	0	0	0	112.5	K20 K26 F41	K20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-K26 VanDerWaalsContact O-CB 3.32Å; P22-K26 WeakPolarHBondContact O-CB 3.39Å; P22-K26 PolarHBondContact O-N 3.21Å; P22-F41 HydrophobicContact CG-CZ 4.26Å
23	V	76.9	Confident	85.2	Confident	83 Å²	83	75.8 Å²	75.8	50%	0.503	41%	0.413	S	S	.	.	H	α-helix	trans	-70.7	-44.7	175.5	-177.2	0	0	0	0	111.2	C21 L25 K26 L27	C21-V23 PolarHBondContact O-N 3.27Å; V23-L25 VanDerWaalsContact C-N 3.29Å; V23-L25 PolarHBondContact O-N 3.34Å; V23-K26 PolarHBondContact O-N 2.84Å; V23-L27 HydrophobicContact CG1-CD1 3.76Å; V23-L27 HydrophobicContact CG1-CG 4.2Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.91Å
24	C	83.3	Confident	85.4	Confident	4 Å²	4	74.3 Å²	74.3	3%	0.027	40%	0.402	C	S	.	.	H	α-helix	trans	-59.3	-42.9	175.4	-67	0	0	0	0	111.5	C21 L27 K28 L29 C52	C21-C24 HydrophobicContact CB-CB 3.95Å; C21-C24 PolarHBondContact O-N 2.91Å; C21-C24 VanDerWaalsContact SG-SG 3.69Å; C24-L27 PolarHBondContact O-N 2.98Å; C24-K28 PolarHBondContact O-N 2.85Å; C24-K28 VanDerWaalsContact O-N 3.15Å; C24-L29 HydrophobicContact CB-CB 4.34Å; C24-L29 PolarHBondContact O-N 3.4Å; C24-C52 PolarHBondContact SG-SG 3.46Å
25	L	83.5	Confident	85.8	Confident	93 Å²	93	73.9 Å²	73.9	49%	0.487	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.8	-67.2	175.4	0	0	0	111.4	K20 C21 V23 L27 K28 P31	K20-L25 HydrophobicContact CB-CD1 3.86Å; K20-L25 HydrophobicContact CB-CG 4.35Å; K20-L25 HydrophobicContact CD-CD1 4.38Å; K20-L25 HydrophobicContact CD-CD2 4.29Å; C21-L25 WeakPolarHBondContact O-CG 3.39Å; C21-L25 PolarHBondContact O-N 2.91Å; C21-L25 VanDerWaalsContact O-N 3.16Å; V23-L25 VanDerWaalsContact C-N 3.29Å; V23-L25 PolarHBondContact O-N 3.34Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 3.27Å; L25-K28 PolarHBondContact O-N 3.34Å; L25-P31 HydrophobicContact CD2-CB 4.41Å
26	K	79.9	Confident	85.7	Confident	186 Å²	186	69.6 Å²	69.6	81%	0.809	38%	0.378	S	S	*	.	H	α-helix	trans	-62.8	-36.7	178	-171.6	177.5	-179.8	-178.7	0	112.7	P22 V23 K28	P22-K26 VanDerWaalsContact O-CB 3.32Å; P22-K26 WeakPolarHBondContact O-CB 3.39Å; P22-K26 PolarHBondContact O-N 3.21Å; V23-K26 PolarHBondContact O-N 2.84Å; K26-K28 VanDerWaalsContact C-N 3.32Å
27	L	83.6	Confident	85.4	Confident	97 Å²	97	71.7 Å²	71.7	51%	0.508	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.1	178.9	-64.9	177.9	0	0	0	114	V23 C24 L25 L29	V23-L27 HydrophobicContact CG1-CD1 3.76Å; V23-L27 HydrophobicContact CG1-CG 4.2Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.91Å; C24-L27 PolarHBondContact O-N 2.98Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 3.27Å; L27-L29 HydrophobicContact CB-CD1 3.92Å; L27-L29 HydrophobicContact CB-CG 3.87Å; L27-L29 HydrophobicContact CD1-CD1 4Å; L27-L29 PolarHBondContact O-N 3.47Å
28	K	84.2	Confident	85	Confident	200 Å²	200	77.3 Å²	77.3	87%	0.87	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.5	-174.2	-57.7	-177.9	179.1	179.5	0	113.5	C24 L25 K26	C24-K28 PolarHBondContact O-N 2.85Å; C24-K28 VanDerWaalsContact O-N 3.15Å; L25-K28 PolarHBondContact O-N 3.34Å; K26-K28 VanDerWaalsContact C-N 3.32Å
29	L	80.3	Confident	84.5	Confident	63 Å²	63	72.1 Å²	72.1	33%	0.33	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-89.1	157.7	173.8	-63.2	174.4	0	0	0	110.4	C24 L27	C24-L29 HydrophobicContact CB-CB 4.34Å; C24-L29 PolarHBondContact O-N 3.4Å; L27-L29 HydrophobicContact CB-CD1 3.92Å; L27-L29 HydrophobicContact CB-CG 3.87Å; L27-L29 HydrophobicContact CD1-CD1 4Å; L27-L29 PolarHBondContact O-N 3.47Å
30	P	84.7	Confident	84.1	Confident	96 Å²	96	70.2 Å²	70.2	62%	0.623	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-50.6	131.7	169.4	-26.1	34.7	0	0	0	110.8	A32	P30-A32 PolarHBondContact O-N 2.92Å
31	P	82	Confident	83.4	Confident	49 Å²	49	71.4 Å²	71.4	32%	0.318	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-67.1	127.4	-173	25	-32.5	0	0	0	111.1	K20 L25 F33	K20-P31 HydrophobicContact CB-CB 4.46Å; K20-P31 HydrophobicContact CD-CB 4.2Å; K20-P31 HydrophobicContact CG-CB 4.22Å; L25-P31 HydrophobicContact CD2-CB 4.41Å; P31-F33 HydrophobicContact CB-CE2 4.21Å; P31-F33 HydrophobicContact CB-CZ 4.27Å; P31-F33 HydrophobicContact CG-CE2 3.97Å; P31-F33 HydrophobicContact CG-CZ 4Å; P31-F33 WeakPolarHBondContact O-CD2 3.37Å; P31-F33 VanDerWaalsContact O-CE2 3.28Å; P31-F33 WeakPolarHBondContact O-CE2 3.46Å
32	A	87.2	Confident	82	Confident	2 Å²	2	71.6 Å²	71.6	2%	0.017	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-82.8	141.9	164	0	0	0	0	0	110.2	Q9 K20 C21 P30 F34 C52	Q9-A32 HydrophobicContact CG-CB 4.4Å; K20-A32 CarbonylContact C-O 3.53Å; K20-A32 WeakPolarHBondContact CA-O 3.42Å; C21-A32 HydrophobicContact CB-CB 4.13Å; C21-A32 PolarHBondContact N-O 3.48Å; P30-A32 PolarHBondContact O-N 2.92Å; A32-F34 HydrophobicContact CB-CE2 3.91Å; A32-F34 HydrophobicContact CB-CZ 4.48Å; A32-C52 WeakPolarHBondContact CB-SG 3.26Å
33	F	90.6	Very high	80.1	Confident	28 Å²	28	72.8 Å²	72.8	12%	0.123	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.5	-175.4	-65.1	-93.9	0	0	0	111.8	N6 C8 Q9 A17 L19 K20 P31	N6-F33 HydrophobicContact CB-CB 3.95Å; N6-F33 HydrophobicContact CB-CD1 3.81Å; N6-F33 HydrophobicContact CB-CD2 3.74Å; N6-F33 HydrophobicContact CB-CE1 4.21Å; N6-F33 HydrophobicContact CB-CE2 4.14Å; N6-F33 HydrophobicContact CB-CG 3.56Å; N6-F33 HydrophobicContact CB-CZ 4.36Å; N6-F33 WeakPolarHBondContact ND2-CE1 3.45Å; N6-F33 WeakPolarHBondContact ND2-CZ 3.35Å; N6-F33 WeakPolarHBondContact OD1-CE2 3.47Å; C8-F33 WeakPolarHBondContact CA-O 3.41Å; Q9-F33 PolarHBondContact N-O 2.71Å; A17-F33 HydrophobicContact CB-CB 3.71Å; L19-F33 CarbonylContact O-C 3.58Å; L19-F33 VanDerWaalsContact O-CA 3.26Å; L19-F33 WeakPolarHBondContact O-CA 3.32Å; K20-F33 HydrophobicContact CD-CE1 4.44Å; K20-F33 HydrophobicContact CG-CD1 4.16Å; K20-F33 HydrophobicContact CG-CE1 3.81Å; K20-F33 HydrophobicContact CG-CZ 4.44Å; P31-F33 HydrophobicContact CB-CE2 4.21Å; P31-F33 HydrophobicContact CB-CZ 4.27Å; P31-F33 HydrophobicContact CG-CE2 3.97Å; P31-F33 HydrophobicContact CG-CZ 4Å; P31-F33 WeakPolarHBondContact O-CD2 3.37Å; P31-F33 VanDerWaalsContact O-CE2 3.28Å; P31-F33 WeakPolarHBondContact O-CE2 3.46Å
34	F	90.7	Very high	78.5	Confident	7 Å²	7	81.8 Å²	81.8	3%	0.031	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.6	179.6	-62.8	-92.9	0	0	0	110.9	Q9 A17 L19 C21 A32 A39 L40	Q9-F34 HydrophobicContact CB-CE1 4.4Å; Q9-F34 HydrophobicContact CB-CZ 4.35Å; A17-F34 VanDerWaalsContact CB-C 3.43Å; A17-F34 WeakPolarHBondContact CB-O 3.35Å; L19-F34 HydrophobicContact CB-CB 4.5Å; L19-F34 WeakPolarHBondContact CB-O 3.45Å; L19-F34 PolarHBondContact N-O 3.17Å; L19-F34 PolarHBondContact O-N 3.39Å; C21-F34 HydrophobicContact CB-CE2 4.01Å; A32-F34 HydrophobicContact CB-CE2 3.91Å; A32-F34 HydrophobicContact CB-CZ 4.48Å; F34-A39 HydrophobicContact CB-CB 4.25Å; F34-A39 HydrophobicContact CD1-CB 4.31Å; F34-A39 WeakPolarHBondContact CD1-O 3.22Å; F34-L40 HydrophobicContact CB-CB 3.99Å; F34-L40 HydrophobicContact CD1-CB 4.44Å; F34-L40 HydrophobicContact CD2-CB 4.39Å; F34-L40 HydrophobicContact CD2-CD1 3.46Å; F34-L40 VanDerWaalsContact CD2-CD1 3.46Å; F34-L40 HydrophobicContact CD2-CG 4.46Å; F34-L40 HydrophobicContact CE2-CD1 3.66Å; F34-L40 HydrophobicContact CG-CB 4.01Å; F34-L40 HydrophobicContact CG-CD1 3.94Å; F34-L40 HydrophobicContact CZ-CD1 4.27Å
35	C	90.6	Very high	76.4	Confident	41 Å²	41	85.6 Å²	85.6	28%	0.277	44%	0.444	S	S	.	.	S	Bend	trans	-83.9	-16.2	-175.6	64.6	0	0	0	0	114.3	C8 C13 K15	C8-C35 HydrophobicContact CB-CB 3.99Å; C8-C35 PolarHBondContact SG-N 3.18Å; C8-C35 VanDerWaalsContact SG-N 3.41Å; C8-C35 VanDerWaalsContact SG-SG 3.64Å; C13-C35 PolarHBondContact SG-SG 3.44Å; K15-C35 HydrophobicContact CB-CB 3.97Å
36	S	87	Confident	74.3	Confident	43 Å²	43	83 Å²	83	30%	0.301	43%	0.434	S	S	.	.	S	Bend	trans	-155.5	164.8	178.6	62.1	0	0	0	0	110.5	D38 A39 L40	S36-D38 PolarHBondContact O-N 3.49Å; S36-A39 PolarHBondContact O-N 3.41Å; S36-A39 PolarHBondContact OG-N 3.31Å; S36-A39 VanDerWaalsContact OG-N 3.08Å; S36-L40 PolarHBondContact O-N 3.07Å; S36-L40 VanDerWaalsContact O-N 3.17Å
37	Q	83.2	Confident	72.3	Confident	136 Å²	136	85.1 Å²	85.1	64%	0.636	44%	0.437	S	S	*	.	H	α-helix	trans	-61.9	-34.4	170.9	-78.2	-171.6	-20.9	0	0	111.5	L19 A39 L40 F41	L19-Q37 HydrophobicContact CD1-CG 4.48Å; Q37-A39 VanDerWaalsContact C-N 3.32Å; Q37-A39 PolarHBondContact O-N 3.46Å; Q37-L40 CarbonylContact O-C 3.49Å; Q37-L40 PolarHBondContact O-N 2.89Å; Q37-L40 VanDerWaalsContact O-N 3.11Å; Q37-F41 HydrophobicContact CB-CD2 4.29Å; Q37-F41 PolarHBondContact O-N 3.41Å
38	D	81.6	Confident	70.3	Confident	124 Å²	124	80.9 Å²	80.9	66%	0.663	42%	0.416	S	S	*	.	H	α-helix	trans	-63.4	-36.4	173.3	-63.7	-33.3	0	0	0	112.4	S36 L40 G42	S36-D38 PolarHBondContact O-N 3.49Å; D38-L40 VanDerWaalsContact C-N 3.27Å; D38-L40 PolarHBondContact O-N 2.62Å; D38-G42 CarbonylContact O-C 3.49Å; D38-G42 VanDerWaalsContact O-C 3.27Å; D38-G42 WeakPolarHBondContact O-CA 3.35Å; D38-G42 PolarHBondContact O-N 2.84Å
39	A	80.7	Confident	68.2	Low	12 Å²	12	75.7 Å²	75.7	10%	0.099	41%	0.405	C	S	.	.	H	α-helix	trans	-69	-29.3	174.7	0	0	0	0	0	112.4	T10 F34 S36 Q37	T10-A39 PolarHBondContact OG1-O 3.43Å; F34-A39 HydrophobicContact CB-CB 4.25Å; F34-A39 HydrophobicContact CD1-CB 4.31Å; F34-A39 WeakPolarHBondContact CD1-O 3.22Å; S36-A39 PolarHBondContact O-N 3.41Å; S36-A39 PolarHBondContact OG-N 3.31Å; S36-A39 VanDerWaalsContact OG-N 3.08Å; Q37-A39 VanDerWaalsContact C-N 3.32Å; Q37-A39 PolarHBondContact O-N 3.46Å
40	L	79.9	Confident	66.5	Low	25 Å²	25	74.1 Å²	74.1	13%	0.131	40%	0.404	C	S	.	.	H	α-helix	trans	-84.5	-36.8	-178.9	179.2	60.9	0	0	0	113.2	C21 F34 S36 Q37 D38	C21-L40 HydrophobicContact CB-CD1 4.36Å; F34-L40 HydrophobicContact CB-CB 3.99Å; F34-L40 HydrophobicContact CD1-CB 4.44Å; F34-L40 HydrophobicContact CD2-CB 4.39Å; F34-L40 HydrophobicContact CD2-CD1 3.46Å; F34-L40 VanDerWaalsContact CD2-CD1 3.46Å; F34-L40 HydrophobicContact CD2-CG 4.46Å; F34-L40 HydrophobicContact CE2-CD1 3.66Å; F34-L40 HydrophobicContact CG-CB 4.01Å; F34-L40 HydrophobicContact CG-CD1 3.94Å; F34-L40 HydrophobicContact CZ-CD1 4.27Å; S36-L40 PolarHBondContact O-N 3.07Å; S36-L40 VanDerWaalsContact O-N 3.17Å; Q37-L40 CarbonylContact O-C 3.49Å; Q37-L40 PolarHBondContact O-N 2.89Å; Q37-L40 VanDerWaalsContact O-N 3.11Å; D38-L40 VanDerWaalsContact C-N 3.27Å; D38-L40 PolarHBondContact O-N 2.62Å
41	F	74.7	Confident	64.6	Low	132 Å²	132	72.9 Å²	72.9	58%	0.579	39%	0.39	S	S	*	.	H	α-helix	trans	-127.9	-14.4	-171.1	-57.9	-64.6	0	0	0	114.4	P22 Q37	P22-F41 HydrophobicContact CG-CZ 4.26Å; Q37-F41 HydrophobicContact CB-CD2 4.29Å; Q37-F41 PolarHBondContact O-N 3.41Å
42	G	56.7	Low	62.8	Low	17 Å²	17	70.8 Å²	70.8	18%	0.175	38%	0.377	C	S	.	.			trans	-111.7	160	-163.8	0	0	0	0	0	115.1	D38 S46	D38-G42 CarbonylContact O-C 3.49Å; D38-G42 VanDerWaalsContact O-C 3.27Å; D38-G42 WeakPolarHBondContact O-CA 3.35Å; D38-G42 PolarHBondContact O-N 2.84Å; G42-S46 PolarHBondContact O-OG 2.85Å
43	S	41.4	Very low	60.9	Low	91 Å²	91	74 Å²	74	64%	0.636	40%	0.397	S	S	*	.	S	Bend	trans	66.8	131.3	-175.9	80.9	0	0	0	0	115	A45 S46	S43-A45 PolarHBondContact O-N 3.02Å; S43-S46 PolarHBondContact O-N 3.19Å; S43-S46 PolarHBondContact O-OG 3.01Å
44	R	42.2	Very low	58.8	Low	271 Å²	271	82.2 Å²	82.2	100%	1.023	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	7.3	177.7	-68.6	172.1	170.1	179.2	-5.4	115
45	A	39.1	Very low	56.6	Low	84 Å²	84	88.9 Å²	88.9	69%	0.694	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.3	170.1	0	0	0	0	0	113.6	S43 R47	S43-A45 PolarHBondContact O-N 3.02Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 3.43Å; A45-R47 VanDerWaalsContact O-N 3.1Å
46	S	39.2	Very low	54.2	Low	38 Å²	38	89.6 Å²	89.6	27%	0.266	46%	0.456	S	S	.	.			trans	-88.3	58.5	-176.7	61	0	0	0	0	113.7	G42 S43 A48	G42-S46 PolarHBondContact O-OG 2.85Å; S43-S46 PolarHBondContact O-N 3.19Å; S43-S46 PolarHBondContact O-OG 3.01Å; S46-A48 PolarHBondContact O-N 3.03Å
47	R	39.3	Very low	52.2	Low	231 Å²	231	92.7 Å²	92.7	87%	0.872	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	5.1	145.8	-81.5	-176	178.4	178.4	-0.2	111.6	A45 S49 G50 M51	A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 3.43Å; A45-R47 VanDerWaalsContact O-N 3.1Å; R47-S49 VanDerWaalsContact C-N 3.27Å; R47-S49 PolarHBondContact O-N 3.07Å; R47-G50 CarbonylContact O-C 3.54Å; R47-G50 WeakPolarHBondContact O-CA 3.34Å; R47-G50 PolarHBondContact O-N 2.78Å; R47-M51 PolarHBondContact O-N 2.89Å
48	A	40.9	Very low	50.4	Low	9 Å²	9	92.7 Å²	92.7	7%	0.074	48%	0.478	C	S	.	.	H	α-helix	trans	-61	-22.3	174.8	0	0	0	0	0	114.8	S46 M51 C52	S46-A48 PolarHBondContact O-N 3.03Å; A48-M51 PolarHBondContact O-N 3.28Å; A48-C52 WeakPolarHBondContact O-CB 3.26Å; A48-C52 PolarHBondContact O-N 2.86Å
49	S	40.9	Very low	48.4	Very low	91 Å²	91	96.5 Å²	96.5	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-72.5	-34.5	169.6	60.5	0	0	0	0	112	R47	R47-S49 VanDerWaalsContact C-N 3.27Å; R47-S49 PolarHBondContact O-N 3.07Å
50	G	43.7	Very low	46.3	Very low	30 Å²	30	105.8 Å²	105.8	31%	0.309	52%	0.522	S	S	.	.	H	α-helix	trans	-75.7	-22.3	166.1	0	0	0	0	0	113.5	R47 T53 R54	R47-G50 CarbonylContact O-C 3.54Å; R47-G50 WeakPolarHBondContact O-CA 3.34Å; R47-G50 PolarHBondContact O-N 2.78Å; G50-T53 PolarHBondContact O-OG1 3.05Å; G50-T53 VanDerWaalsContact O-OG1 3.07Å; G50-R54 WeakPolarHBondContact O-CB 3.37Å; G50-R54 VanDerWaalsContact O-CG 3.26Å; G50-R54 WeakPolarHBondContact O-CG 3.42Å; G50-R54 PolarHBondContact O-N 3.32Å; G50-R54 VanDerWaalsContact O-N 3.11Å
51	M	44.5	Very low	44.2	Very low	69 Å²	69	109.2 Å²	109.2	34%	0.34	55%	0.553	S	S	.	*	H	α-helix	trans	-78.2	-26.8	174.8	-135.8	170.3	77.6	0	0	111.6	P11 R47 A48 R54 R55	P11-M51 HydrophobicContact CG-CE 3.73Å; P11-M51 HydrophobicContact CG-SD 4.44Å; R47-M51 PolarHBondContact O-N 2.89Å; A48-M51 PolarHBondContact O-N 3.28Å; M51-R54 PolarHBondContact O-N 3.41Å; M51-R55 WeakPolarHBondContact O-CB 3.44Å; M51-R55 PolarHBondContact O-N 3.11Å
52	C	45.4	Very low	42.4	Very low	6 Å²	6	108.5 Å²	108.5	4%	0.041	57%	0.565	C	S	.	*	H	α-helix	trans	-71	-31.3	174.7	-155.5	0	0	0	0	112.4	C24 A32 A48 C56	C24-C52 PolarHBondContact SG-SG 3.46Å; A32-C52 WeakPolarHBondContact CB-SG 3.26Å; A48-C52 WeakPolarHBondContact O-CB 3.26Å; A48-C52 PolarHBondContact O-N 2.86Å; C52-C56 PolarHBondContact O-SG 3.23Å; C52-C56 VanDerWaalsContact O-SG 3.34Å
53	T	46.1	Very low	41.3	Very low	69 Å²	69	115.3 Å²	115.3	42%	0.423	59%	0.592	S	S	.	*	H	α-helix	trans	-80.8	-32.4	170.9	49.3	0	0	0	0	112.3	G50	G50-T53 PolarHBondContact O-OG1 3.05Å; G50-T53 VanDerWaalsContact O-OG1 3.07Å
54	R	47.9	Very low	41	Very low	200 Å²	200	117.5 Å²	117.5	76%	0.755	60%	0.604	S	S	*	*	H	α-helix	trans	-78.8	-23.1	178.8	-72.5	178.7	-179.7	-157.5	0.2	115.6	G50 M51 T57	G50-R54 WeakPolarHBondContact O-CB 3.37Å; G50-R54 VanDerWaalsContact O-CG 3.26Å; G50-R54 WeakPolarHBondContact O-CG 3.42Å; G50-R54 PolarHBondContact O-N 3.32Å; G50-R54 VanDerWaalsContact O-N 3.11Å; M51-R54 PolarHBondContact O-N 3.41Å; R54-T57 PolarHBondContact O-OG1 2.76Å
55	R	42.8	Very low	40.6	Very low	147 Å²	147	110.2 Å²	110.2	56%	0.555	59%	0.59	S	S	*	*	H	α-helix	trans	-91.3	-20.9	176.8	-107	177.5	174.2	-172.6	-0.6	114.4	M51	M51-R55 WeakPolarHBondContact O-CB 3.44Å; M51-R55 PolarHBondContact O-N 3.11Å
56	C	41.1	Very low	40.4	Very low	56 Å²	56	110.2 Å²	110.2	38%	0.378	59%	0.59	S	S	.	*	H	α-helix	trans	-79.5	-17.1	179.6	-74.3	0	0	0	0	113.5	C52	C52-C56 PolarHBondContact O-SG 3.23Å; C52-C56 VanDerWaalsContact O-SG 3.34Å
57	T	45.5	Very low	40.3	Very low	109 Å²	109	116.9 Å²	116.9	67%	0.669	62%	0.62	S	S	*	*	S	Bend	trans	-86.6	-15.2	175.1	49.8	0	0	0	0	113.8	R54	R54-T57 PolarHBondContact O-OG1 2.76Å
58	N	44.8	Very low	40.1	Very low	135 Å²	135	114.3 Å²	114.3	72%	0.722	62%	0.616	S	S	*	*	S	Bend	trans	-112	21.7	-168.9	-86.7	-8.3	0	0	0	116.1
59	R	39	Very low	39.8	Very low	205 Å²	205	124.4 Å²	124.4	77%	0.774	65%	0.652	S	S	*	*	S	Bend	trans	-107.9	18.4	179.4	-80.7	-168	-178.4	-147.9	0.5	116.2
60	K	36.2	Very low	39.8	Very low	207 Å²	207	126.2 Å²	126.2	90%	0.9	66%	0.662	S	S	*	*	S	Bend	trans	-128.6	78	167.5	-74.1	-170.5	178.1	-176.2	0	110.4
61	A	36.4	Very low	39.6	Very low	97 Å²	97	133 Å²	133	80%	0.802	69%	0.687	S	S	*	*			trans	-173.7	82.1	156.7	0	0	0	0	0	108.7
62	S	38.2	Very low	39.3	Very low	116 Å²	116	138 Å²	138	81%	0.811	71%	0.712	S	S	*	*			trans	-79.7	114.5	152.9	48.9	0	0	0	0	107.3
63	E	32.1	Very low	39.2	Very low	161 Å²	161	141 Å²	141	75%	0.752	73%	0.73	S	S	*	*	S	Bend	trans	145.8	125.4	151.6	-86.1	-179	176.6	0	0	109.4	T65	E63-T65 PolarHBondContact O-N 3.45Å
64	P	35.2	Very low	39	Very low	136 Å²	136	143.3 Å²	143.3	88%	0.883	74%	0.74	S	S	*	*			trans	-78.1	92.6	-177.7	32.3	-30.4	0	0	0	108.7
65	T	34	Very low	38.9	Very low	119 Å²	119	141.5 Å²	141.5	73%	0.73	74%	0.739	S	S	*	*			trans	-123.6	121.2	166.7	45.7	0	0	0	0	108.7	E63	E63-T65 PolarHBondContact O-N 3.45Å
66	A	35.8	Very low	39	Very low	84 Å²	84	141.2 Å²	141.2	69%	0.694	75%	0.748	S	S	*	*			trans	18.2	117.1	167.5	0	0	0	0	0	117.2	K68	A66-K68 PolarHBondContact O-N 3.11Å
67	I	36.4	Very low	39.6	Very low	177 Å²	177	144.1 Å²	144.1	91%	0.908	76%	0.756	S	S	*	*			trans	-57.8	90.6	161.2	-60.9	170.8	0	0	0	107.4	R69	I67-R69 PolarHBondContact O-N 3.21Å
68	K	34.7	Very low	40	Very low	178 Å²	178	139.6 Å²	139.6	77%	0.774	73%	0.728	S	S	*	*			trans	-69.2	112.1	165.1	-77.2	-174.7	176.6	-179.3	0	105.7	A66	A66-K68 PolarHBondContact O-N 3.11Å
69	R	36	Very low	40.5	Very low	220 Å²	220	139.4 Å²	139.4	83%	0.83	72%	0.723	S	S	*	*			trans	-39.9	145.7	162.7	-77.3	176.9	164.5	-161.8	-6.1	109.4	I67 M71	I67-R69 PolarHBondContact O-N 3.21Å; R69-M71 PolarHBondContact O-N 3.44Å
70	P	40.9	Very low	42	Very low	130 Å²	130	133.8 Å²	133.8	84%	0.844	71%	0.711	S	S	*	*			trans	-51.7	124	171.8	-9.6	20.9	0	0	0	107.3	M72	P70-M72 PolarHBondContact O-N 3.08Å
71	M	38.2	Very low	44.4	Very low	171 Å²	171	127 Å²	127	84%	0.842	69%	0.685	S	S	*	*			trans	-51.6	138	-179.2	-78.9	-176	140.8	0	0	109.4	R69 T73	R69-M71 PolarHBondContact O-N 3.44Å; M71-T73 PolarHBondContact O-N 3.09Å
72	M	37.6	Very low	47	Very low	176 Å²	176	124.4 Å²	124.4	87%	0.867	65%	0.654	S	S	*	*			trans	-35.2	112.3	169.7	-66.3	178.5	171.6	0	0	109.7	P70 N74	P70-M72 PolarHBondContact O-N 3.08Å; M72-N74 PolarHBondContact O-N 3.27Å
73	T	43.8	Very low	49.3	Very low	67 Å²	67	123.4 Å²	123.4	41%	0.411	65%	0.645	S	S	.	*			trans	-53.9	113.4	156	41.7	0	0	0	0	104.9	M71 H75	M71-T73 PolarHBondContact O-N 3.09Å; T73-H75 PolarHBondContact O-N 3.41Å
74	N	41.4	Very low	52.1	Low	118 Å²	118	123.6 Å²	123.6	63%	0.631	65%	0.651	S	S	*	*			trans	-47.1	129.5	178.5	-109.1	-14.4	0	0	0	107.3	M72 L76 E77	M72-N74 PolarHBondContact O-N 3.27Å; N74-L76 HydrophobicContact CB-CB 4.44Å; N74-L76 PolarHBondContact O-N 3.3Å; N74-E77 PolarHBondContact O-N 3.04Å
75	H	47	Very low	54.9	Low	162 Å²	162	119.6 Å²	119.6	75%	0.75	62%	0.62	S	S	*	*	H	α-helix	trans	-49	-24.4	176.7	-81	-74.1	0	0	0	112.6	T73 E77 L78	T73-H75 PolarHBondContact O-N 3.41Å; H75-E77 VanDerWaalsContact C-N 3.34Å; H75-E77 PolarHBondContact O-N 2.86Å; H75-L78 PolarHBondContact O-N 2.92Å
76	L	45.3	Very low	57.9	Low	142 Å²	142	119 Å²	119	74%	0.743	62%	0.62	S	S	*	*	H	α-helix	trans	-61.8	-28	173.7	-123.1	80.6	0	0	0	115.4	N74 T80	N74-L76 HydrophobicContact CB-CB 4.44Å; N74-L76 PolarHBondContact O-N 3.3Å; L76-T80 WeakPolarHBondContact O-CG2 3.37Å
77	E	52.1	Low	60.8	Low	116 Å²	116	116.6 Å²	116.6	54%	0.542	60%	0.595	S	S	.	*	H	α-helix	trans	-81	-21.9	178	-72.5	-173.7	162.3	0	0	112.1	N74 H75 T80	N74-E77 PolarHBondContact O-N 3.04Å; H75-E77 VanDerWaalsContact C-N 3.34Å; H75-E77 PolarHBondContact O-N 2.86Å; E77-T80 PolarHBondContact O-N 2.74Å; E77-T80 PolarHBondContact O-OG1 3.1Å
78	L	55	Low	63.7	Low	15 Å²	15	109.7 Å²	109.7	8%	0.079	56%	0.562	C	S	.	*	H	α-helix	trans	-81.5	-29.1	-173.2	-67.5	165.5	0	0	0	113.2	H75 T80 H94	H75-L78 PolarHBondContact O-N 2.92Å; L78-T80 PolarHBondContact O-N 3.42Å; L78-H94 WeakPolarHBondContact CD1-NE2 3.04Å; L78-H94 HydrophobicContact CD2-CB 3.91Å; L78-H94 WeakPolarHBondContact CD2-CD2 3.38Å
79	E	55.8	Low	66.6	Low	130 Å²	130	101.8 Å²	101.8	61%	0.607	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-6	172.5	-68.9	-173.5	153.7	0	0	113.3
80	T	69.5	Low	69.5	Low	87 Å²	87	96.5 Å²	96.5	53%	0.534	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.2	-173.1	69	0	0	0	0	115.2	L76 E77 L78 P83	L76-T80 WeakPolarHBondContact O-CG2 3.37Å; E77-T80 PolarHBondContact O-N 2.74Å; E77-T80 PolarHBondContact O-OG1 3.1Å; L78-T80 PolarHBondContact O-N 3.42Å; T80-P83 WeakPolarHBondContact O-CD 3.5Å
81	L	86	Confident	72.1	Confident	65 Å²	65	91 Å²	91	34%	0.34	49%	0.489	S	S	.	.	S	Bend	trans	-67.2	-43.3	-178.3	-72.2	175.8	0	0	0	111.2	P93 L95	L81-P93 HydrophobicContact CB-CG 4.07Å; L81-P93 HydrophobicContact CD1-CB 3.98Å; L81-P93 HydrophobicContact CD1-CG 4.07Å; L81-L95 HydrophobicContact CD2-CD2 4.25Å
82	Y	92.1	Very high	74.9	Confident	42 Å²	42	86.3 Å²	86.3	17%	0.165	46%	0.462	C	S	.	.	S	Bend	trans	-129.5	65.2	179.7	-51.1	-37.8	0	0	0	111.7	N84 F85 F87 P93 W343 P344 D345	Y82-N84 PolarHBondContact O-N 3.33Å; Y82-N84 VanDerWaalsContact O-N 3.08Å; Y82-F85 PolarHBondContact O-N 3.07Å; Y82-F87 HydrophobicContact CD2-CE1 4.13Å; Y82-F87 AromaticContact CD2-CZ 3.88Å; Y82-F87 HydrophobicContact CD2-CZ 3.88Å; Y82-F87 HydrophobicContact CG-CZ 4.45Å; Y82-P93 HydrophobicContact CD2-CG 3.66Å; Y82-P93 HydrophobicContact CE2-CB 3.94Å; Y82-P93 HydrophobicContact CE2-CG 3.57Å; Y82-W343 HydrophobicContact CE2-CB 4.29Å; Y82-W343 HydrophobicContact CE2-CE3 4.13Å; Y82-P344 HydrophobicContact CD1-CB 3.7Å; Y82-P344 HydrophobicContact CD1-CG 3.82Å; Y82-P344 HydrophobicContact CD2-CG 4.05Å; Y82-P344 HydrophobicContact CE1-CB 3.92Å; Y82-P344 HydrophobicContact CE1-CG 4.42Å; Y82-P344 HydrophobicContact CG-CB 4.09Å; Y82-P344 HydrophobicContact CG-CG 3.69Å; Y82-D345 WeakPolarHBondContact OH-CB 3.39Å
83	P	87.1	Confident	77.7	Confident	95 Å²	95	78.2 Å²	78.2	62%	0.617	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.8	-167.3	27.5	-34.5	0	0	0	113.7	T80	T80-P83 WeakPolarHBondContact O-CD 3.5Å
84	N	90.5	Very high	80.2	Confident	165 Å²	165	76.4 Å²	76.4	88%	0.882	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	7.8	-179.6	-59.9	-42.6	0	0	0	113.1	Y82	Y82-N84 PolarHBondContact O-N 3.33Å; Y82-N84 VanDerWaalsContact O-N 3.08Å
85	F	94.5	Very high	82.8	Confident	52 Å²	52	74.8 Å²	74.8	23%	0.228	40%	0.4	C	S	.	.			trans	-97.6	129.3	-179.1	-175.3	-105.2	0	0	0	110.7	Y82 F87 I341 H342 W343 P344	Y82-F85 PolarHBondContact O-N 3.07Å; F85-F87 AromaticContact CD1-CD1 3.78Å; F85-F87 HydrophobicContact CD1-CD1 3.78Å; F85-F87 HydrophobicContact CD1-CD2 4.19Å; F85-F87 AromaticContact CD1-CE1 3.8Å; F85-F87 HydrophobicContact CD1-CE1 3.8Å; F85-F87 HydrophobicContact CD1-CE2 4.22Å; F85-F87 AromaticContact CD1-CG 3.99Å; F85-F87 HydrophobicContact CD1-CG 3.99Å; F85-F87 HydrophobicContact CD1-CZ 4.03Å; F85-F87 AromaticContact CE1-CD1 3.91Å; F85-F87 HydrophobicContact CE1-CD1 3.91Å; F85-F87 HydrophobicContact CE1-CE1 4.2Å; F85-F87 HydrophobicContact CE1-CG 4.32Å; F85-F87 WeakPolarHBondContact O-CD2 3.32Å; F85-F87 PolarHBondContact O-N 3.08Å; F85-I341 HydrophobicContact CE1-CD1 4.49Å; F85-I341 HydrophobicContact CZ-CD1 4.04Å; F85-H342 VanDerWaalsContact CE2-O 3.31Å; F85-H342 WeakPolarHBondContact CE2-O 3.28Å; F85-H342 VanDerWaalsContact CZ-O 3.28Å; F85-H342 WeakPolarHBondContact CZ-O 3.32Å; F85-W343 AromaticContact CE1-CD1 3.47Å; F85-W343 VanDerWaalsContact CE1-CD1 3.47Å; F85-W343 HydrophobicContact CE1-CG 4.11Å; F85-W343 AromaticContact CE1-NE1 3.98Å; F85-W343 AromaticContact CZ-CD1 3.82Å; F85-P344 HydrophobicContact CB-CG 3.92Å; F85-P344 HydrophobicContact CD2-CG 3.74Å; F85-P344 HydrophobicContact CE2-CG 4.4Å; F85-P344 HydrophobicContact CG-CG 3.81Å
86	S	95.4	Very high	85.1	Confident	106 Å²	106	71 Å²	71	74%	0.741	38%	0.383	S	S	*	.			trans	-86.5	97.8	175.2	-173.6	0	0	0	0	109.7
87	F	97	Very high	87.5	Confident	34 Å²	34	66 Å²	66	15%	0.149	36%	0.36	C	S	.	.			trans	-62.5	142.4	174.1	-62.9	-86.6	0	0	0	111.4	Y82 F85 P93 W343	Y82-F87 HydrophobicContact CD2-CE1 4.13Å; Y82-F87 AromaticContact CD2-CZ 3.88Å; Y82-F87 HydrophobicContact CD2-CZ 3.88Å; Y82-F87 HydrophobicContact CG-CZ 4.45Å; F85-F87 AromaticContact CD1-CD1 3.78Å; F85-F87 HydrophobicContact CD1-CD1 3.78Å; F85-F87 HydrophobicContact CD1-CD2 4.19Å; F85-F87 AromaticContact CD1-CE1 3.8Å; F85-F87 HydrophobicContact CD1-CE1 3.8Å; F85-F87 HydrophobicContact CD1-CE2 4.22Å; F85-F87 AromaticContact CD1-CG 3.99Å; F85-F87 HydrophobicContact CD1-CG 3.99Å; F85-F87 HydrophobicContact CD1-CZ 4.03Å; F85-F87 AromaticContact CE1-CD1 3.91Å; F85-F87 HydrophobicContact CE1-CD1 3.91Å; F85-F87 HydrophobicContact CE1-CE1 4.2Å; F85-F87 HydrophobicContact CE1-CG 4.32Å; F85-F87 WeakPolarHBondContact O-CD2 3.32Å; F85-F87 PolarHBondContact O-N 3.08Å; F87-P93 HydrophobicContact CE1-CG 4.42Å; F87-P93 HydrophobicContact CZ-CG 4.25Å; F87-W343 HydrophobicContact CD1-CD2 4.5Å; F87-W343 AromaticContact CD1-CE2 3.81Å; F87-W343 AromaticContact CD1-CZ2 3.93Å; F87-W343 HydrophobicContact CD1-CZ2 3.93Å; F87-W343 AromaticContact CD1-NE1 3.86Å; F87-W343 HydrophobicContact CE1-CD2 4.13Å; F87-W343 AromaticContact CE1-CE2 3.86Å; F87-W343 HydrophobicContact CE1-CH2 4.46Å; F87-W343 HydrophobicContact CE1-CZ2 4.03Å
88	S	97.4	Very high	89.6	Confident	32 Å²	32	69 Å²	69	22%	0.224	37%	0.374	C	S	.	.	S	Bend	trans	-80.8	-29.5	177.7	53.4	0	0	0	0	113.6	T350 T351 G354	S88-T350 PolarHBondContact OG-OG1 3.04Å; S88-T351 WeakPolarHBondContact CB-O 3.16Å; S88-T351 PolarHBondContact OG-O 2.76Å; S88-G354 VanDerWaalsContact O-CA 3.3Å; S88-G354 WeakPolarHBondContact O-CA 3.28Å
89	G	96.8	Very high	91.5	Very high	13 Å²	13	74.7 Å²	74.7	13%	0.134	39%	0.394	C	S	.	.	S	Bend	trans	-128.8	-172.8	-179.2	0	0	0	0	0	113.8	L91 R92 E202	G89-L91 VanDerWaalsContact C-N 3.32Å; G89-L91 PolarHBondContact O-N 3.07Å; G89-R92 PolarHBondContact O-NH1 3.1Å; G89-E202 WeakPolarHBondContact CA-OE1 3.1Å
90	P	95.7	Very high	93.5	Very high	108 Å²	108	71.3 Å²	71.3	70%	0.701	38%	0.376	S	S	*	.	S	Bend	trans	-74.3	-17.1	-177.1	31.3	-36.3	0	0	0	114	R92 E202	P90-R92 PolarHBondContact O-NH1 3.32Å; P90-E202 VanDerWaalsContact CD-OE1 3.3Å; P90-E202 WeakPolarHBondContact CD-OE1 3.37Å
91	L	96.8	Very high	94.8	Very high	15 Å²	15	73 Å²	73	8%	0.079	39%	0.386	C	S	.	.			trans	-67.1	145.8	-177.1	-159.3	73.1	0	0	0	111.4	G89 V200 E202 V203 R212 W343	G89-L91 VanDerWaalsContact C-N 3.32Å; G89-L91 PolarHBondContact O-N 3.07Å; L91-V200 HydrophobicContact CD1-CB 4.44Å; L91-V200 HydrophobicContact CD1-CG1 4.29Å; L91-V200 HydrophobicContact CD2-CB 4.26Å; L91-E202 VanDerWaalsContact CB-CD 3.5Å; L91-E202 WeakPolarHBondContact CB-OE1 3.46Å; L91-E202 PolarHBondContact N-OE1 2.98Å; L91-V203 HydrophobicContact CD2-CG2 3.4Å; L91-R212 VanDerWaalsContact CD1-CD 3.49Å; L91-R212 VanDerWaalsContact CD1-CZ 3.45Å; L91-W343 HydrophobicContact CB-CH2 4.44Å; L91-W343 HydrophobicContact CB-CZ2 4.4Å; L91-W343 HydrophobicContact CD2-CH2 4.01Å; L91-W343 HydrophobicContact CD2-CZ2 4.37Å; L91-W343 HydrophobicContact CG-CH2 4.16Å
92	R	96.8	Very high	95.4	Very high	73 Å²	73	70.7 Å²	70.7	28%	0.275	38%	0.375	S	S	.	.			trans	-134.6	143.7	176	-63.1	-66.2	179.6	-87.4	-0.2	109.7	G89 P90 H94	G89-R92 PolarHBondContact O-NH1 3.1Å; P90-R92 PolarHBondContact O-NH1 3.32Å; R92-H94 PolarHBondContact O-ND1 2.7Å
93	P	96.2	Very high	95.7	Very high	6 Å²	6	71.3 Å²	71.3	4%	0.039	38%	0.384	C	S	.	.			trans	-62.2	145.4	172	31.3	-39.3	0	0	0	110.1	L81 Y82 F87 W343	L81-P93 HydrophobicContact CB-CG 4.07Å; L81-P93 HydrophobicContact CD1-CB 3.98Å; L81-P93 HydrophobicContact CD1-CG 4.07Å; Y82-P93 HydrophobicContact CD2-CG 3.66Å; Y82-P93 HydrophobicContact CE2-CB 3.94Å; Y82-P93 HydrophobicContact CE2-CG 3.57Å; F87-P93 HydrophobicContact CE1-CG 4.42Å; F87-P93 HydrophobicContact CZ-CG 4.25Å; P93-W343 HydrophobicContact CB-CE3 4.21Å; P93-W343 HydrophobicContact CB-CZ3 3.76Å; P93-W343 HydrophobicContact CG-CZ3 4.25Å
94	H	95.8	Very high	96.2	Very high	29 Å²	29	75.5 Å²	75.5	13%	0.134	40%	0.395	C	S	.	.			trans	-111.9	170.2	169.3	-71.3	52.8	0	0	0	110.6	L78 R92 D210 L211 R212	L78-H94 WeakPolarHBondContact CD1-NE2 3.04Å; L78-H94 HydrophobicContact CD2-CB 3.91Å; L78-H94 WeakPolarHBondContact CD2-CD2 3.38Å; R92-H94 PolarHBondContact O-ND1 2.7Å; H94-D210 HydrophobicContact CB-CB 4.08Å; H94-D210 PolarHBondContact N-OD2 2.88Å; H94-L211 HydrophobicContact CB-CB 4.34Å; H94-R212 HydrophobicContact CB-CB 4.24Å
95	L	95.6	Very high	96.5	Very high	84 Å²	84	72.7 Å²	72.7	44%	0.44	39%	0.388	S	S	.	.			trans	-59.9	147.9	172.6	-64	177	0	0	0	110.1	L81 L211	L81-L95 HydrophobicContact CD2-CD2 4.25Å; L95-L211 HydrophobicContact CB-CD1 4.15Å; L95-L211 VanDerWaalsContact O-CB 3.32Å; L95-L211 WeakPolarHBondContact O-CB 3.41Å; L95-L211 WeakPolarHBondContact O-CG 3.41Å; L95-L211 PolarHBondContact O-N 3.29Å
96	Q	95.3	Very high	96.7	Very high	83 Å²	83	70.5 Å²	70.5	39%	0.388	38%	0.379	S	S	.	.			trans	-105.6	146.2	178.7	-61.4	172.5	27.5	0	0	110	I208 D210	Q96-I208 HydrophobicContact CG-CG2 4.35Å; Q96-D210 HydrophobicContact CG-CB 4.11Å
97	S	96.4	Very high	96.8	Very high	37 Å²	37	70 Å²	70	26%	0.259	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67.6	163.3	165.9	75.5	0	0	0	0	111.4	D167 K194	S97-D167 VanDerWaalsContact CB-OD1 3.29Å; S97-D167 WeakPolarHBondContact CB-OD1 3.3Å; S97-D167 WeakPolarHBondContact CB-OD2 3.41Å; S97-D167 PolarHBondContact N-OD1 2.93Å; S97-D167 PolarHBondContact OG-OD1 3.38Å; S97-D167 PolarHBondContact OG-OD2 2.84Å; S97-K194 PolarHBondContact O-NZ 3.03Å; S97-K194 PolarHBondContact OG-NZ 2.91Å; S97-K194 VanDerWaalsContact OG-NZ 3.1Å
98	Q	96.4	Very high	96.8	Very high	179 Å²	179	72 Å²	72	84%	0.836	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-58	144.5	175.1	-67.9	-176.5	-0.2	0	0	111.4	R100	Q98-R100 PolarHBondContact O-N 3.25Å
99	R	95.3	Very high	96.8	Very high	133 Å²	133	70.7 Å²	70.7	50%	0.502	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-54.7	128.2	175.4	-175.6	175.8	178.3	-170	-1.7	110.6	L187 G188	R99-L187 HydrophobicContact CG-CD1 3.89Å; R99-G188 VanDerWaalsContact NH2-CA 3.26Å
100	R	97.8	Very high	96.8	Very high	60 Å²	60	72.5 Å²	72.5	23%	0.226	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-76	151.5	179	-59.5	178.9	-169.8	-68.3	-11.7	111	Q98 D167 D170 H174	Q98-R100 PolarHBondContact O-N 3.25Å; R100-D167 IonicContact NH2-OD2 3.84Å; R100-D167 PolarHBondContact NH2-OD2 2.98Å; R100-D170 IonicContact NE-OD2 3.28Å; R100-D170 PolarHBondContact NE-OD2 3.28Å; R100-H174 VanDerWaalsContact CB-CE1 3.41Å; R100-H174 WeakPolarHBondContact CB-CE1 3.19Å; R100-H174 WeakPolarHBondContact CB-NE2 3.29Å
101	T	97.3	Very high	96.9	Very high	121 Å²	121	67.4 Å²	67.4	74%	0.742	34%	0.336	S	S	*	.			trans	-106	130.8	-177	57.5	0	0	0	0	111.2	H174	T101-H174 PolarHBondContact O-NE2 2.9Å
102	V	98.2	Very high	96.8	Very high	18 Å²	18	68.7 Å²	68.7	11%	0.109	34%	0.344	C	S	.	.			trans	-88.5	131.5	172.3	-177	0	0	0	0	109.6	I106 R108 V178 Y183 P184 L187	V102-I106 HydrophobicContact CG1-CB 3.82Å; V102-I106 HydrophobicContact CG1-CD1 3.86Å; V102-I106 HydrophobicContact CG1-CG1 4.33Å; V102-I106 HydrophobicContact CG1-CG2 3.94Å; V102-R108 PolarHBondContact O-NH2 2.88Å; V102-V178 HydrophobicContact CG1-CG2 4.37Å; V102-Y183 HydrophobicContact CB-CD2 4.14Å; V102-Y183 HydrophobicContact CB-CE2 4.03Å; V102-Y183 HydrophobicContact CG1-CD2 3.88Å; V102-Y183 HydrophobicContact CG1-CE2 4.28Å; V102-Y183 HydrophobicContact CG2-CD2 3.98Å; V102-Y183 HydrophobicContact CG2-CE2 3.77Å; V102-P184 HydrophobicContact CG2-CG 4.33Å; V102-L187 HydrophobicContact CG2-CD2 3.7Å
103	P	98.1	Very high	96.5	Very high	54 Å²	54	70.4 Å²	70.4	35%	0.351	37%	0.366	S	S	.	.			trans	-52.5	144.4	176.9	-28.5	35.3	0	0	0	114.2	S105 I106 R108 V178	P103-S105 PolarHBondContact O-N 2.89Å; P103-S105 VanDerWaalsContact O-N 3.15Å; P103-I106 PolarHBondContact O-N 3.29Å; P103-R108 PolarHBondContact O-NH2 2.82Å; P103-V178 HydrophobicContact CG-CG1 3.81Å
104	E	96.7	Very high	96.5	Very high	183 Å²	183	72.4 Å²	72.4	86%	0.855	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.9	-179.6	-73.1	-178.4	-177.1	0	0	113.7	I106 R108	E104-I106 VanDerWaalsContact C-N 3.28Å; E104-I106 PolarHBondContact O-N 3.36Å; E104-R108 PolarHBondContact O-NH1 3.46Å; E104-R108 VanDerWaalsContact O-NH1 3.08Å
105	S	97	Very high	96.4	Very high	106 Å²	106	76.9 Å²	76.9	74%	0.741	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.2	178.7	54.7	0	0	0	0	115.1	P103	P103-S105 PolarHBondContact O-N 2.89Å; P103-S105 VanDerWaalsContact O-N 3.15Å
106	I	98.2	Very high	96.4	Very high	6 Å²	6	80.7 Å²	80.7	3%	0.031	42%	0.415	C	S	.	.	S	Bend	trans	-83.6	132.3	-179.7	-65.2	-179.2	0	0	0	109.4	V102 P103 E104 R108 V178	V102-I106 HydrophobicContact CG1-CB 3.82Å; V102-I106 HydrophobicContact CG1-CD1 3.86Å; V102-I106 HydrophobicContact CG1-CG1 4.33Å; V102-I106 HydrophobicContact CG1-CG2 3.94Å; P103-I106 PolarHBondContact O-N 3.29Å; E104-I106 VanDerWaalsContact C-N 3.28Å; E104-I106 PolarHBondContact O-N 3.36Å; I106-R108 PolarHBondContact O-NH1 3.17Å; I106-V178 HydrophobicContact CD1-CB 4.15Å; I106-V178 HydrophobicContact CD1-CG1 3.92Å; I106-V178 HydrophobicContact CD1-CG2 4.15Å
107	E	97.5	Very high	96.5	Very high	96 Å²	96	77 Å²	77	45%	0.449	40%	0.398	S	S	.	.			trans	-59.9	137.9	175.7	-163.8	-167.2	150	0	0	110.5	Y227 R229 G230	E107-Y227 HydrophobicContact CB-CE1 4.29Å; E107-Y227 HydrophobicContact CG-CE1 3.94Å; E107-Y227 PolarHBondContact OE1-OH 3.46Å; E107-R229 VanDerWaalsContact OE2-CA 3.32Å; E107-R229 WeakPolarHBondContact OE2-CA 3.28Å; E107-G230 PolarHBondContact OE1-N 2.63Å; E107-G230 PolarHBondContact OE2-N 2.9Å
108	R	98	Very high	96.5	Very high	77 Å²	77	76.1 Å²	76.1	29%	0.291	39%	0.391	S	S	.	.			trans	-115.7	140.2	-176.6	-70.4	172.1	179.3	70.3	7.8	110.6	V102 P103 E104 I106 V112 Y183	V102-R108 PolarHBondContact O-NH2 2.88Å; P103-R108 PolarHBondContact O-NH2 2.82Å; E104-R108 PolarHBondContact O-NH1 3.46Å; E104-R108 VanDerWaalsContact O-NH1 3.08Å; I106-R108 PolarHBondContact O-NH1 3.17Å; R108-V112 HydrophobicContact CB-CB 4.23Å; R108-V112 HydrophobicContact CB-CG2 4.19Å; R108-V112 HydrophobicContact CG-CG1 4.39Å; R108-Y183 HydrophobicContact CB-CD2 4.5Å; R108-Y183 HydrophobicContact CG-CD2 3.81Å; R108-Y183 HydrophobicContact CG-CE2 3.91Å
109	P	97.8	Very high	96.6	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.019	35%	0.352	C	S	.	.			trans	-67.9	161.1	167.4	26.9	-29.4	0	0	0	111	Y111 V112 Y183 Y227	P109-Y111 VanDerWaalsContact C-N 3.32Å; P109-Y111 HydrophobicContact CB-CD1 3.95Å; P109-Y111 HydrophobicContact CB-CE1 3.44Å; P109-Y111 VanDerWaalsContact CB-CE1 3.44Å; P109-Y111 HydrophobicContact CB-CE2 4.39Å; P109-Y111 HydrophobicContact CG-CD1 4.26Å; P109-Y111 HydrophobicContact CG-CD2 4.38Å; P109-Y111 HydrophobicContact CG-CE1 3.55Å; P109-Y111 HydrophobicContact CG-CE2 3.65Å; P109-Y111 WeakPolarHBondContact CG-OH 3.44Å; P109-Y111 PolarHBondContact O-N 3.09Å; P109-V112 HydrophobicContact CG-CG2 3.89Å; P109-V112 WeakPolarHBondContact O-CG2 3.42Å; P109-V112 PolarHBondContact O-N 2.98Å; P109-Y183 HydrophobicContact CG-CD1 3.89Å; P109-Y183 HydrophobicContact CG-CE1 4.19Å; P109-Y183 HydrophobicContact CG-CG 4.46Å; P109-Y227 HydrophobicContact CB-CD1 4.42Å; P109-Y227 HydrophobicContact CB-CD2 4.28Å; P109-Y227 HydrophobicContact CB-CE1 4.45Å; P109-Y227 HydrophobicContact CB-CE2 4.26Å; P109-Y227 HydrophobicContact CB-CG 4.31Å; P109-Y227 HydrophobicContact CG-CD1 4.36Å; P109-Y227 HydrophobicContact CG-CG 4.31Å
110	D	97.1	Very high	96.6	Very high	51 Å²	51	66.4 Å²	66.4	27%	0.273	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-62.5	-34.6	-167.9	72.4	-33.9	0	0	0	113.8	V112 C113 S119 L120 L121	D110-V112 PolarHBondContact O-N 3.25Å; D110-C113 PolarHBondContact O-N 3.07Å; D110-S119 VanDerWaalsContact CG-OG 3.25Å; D110-S119 WeakPolarHBondContact OD1-CA 3.37Å; D110-S119 VanDerWaalsContact OD1-CB 3.29Å; D110-S119 WeakPolarHBondContact OD1-CB 3.3Å; D110-S119 PolarHBondContact OD1-OG 2.85Å; D110-S119 WeakPolarHBondContact OD2-CA 3.05Å; D110-S119 PolarHBondContact OD2-OG 3.1Å; D110-L120 PolarHBondContact OD2-N 3.34Å; D110-L121 HydrophobicContact CB-CD1 4.17Å; D110-L121 HydrophobicContact CB-CG 4.41Å; D110-L121 WeakPolarHBondContact OD2-CG 3.19Å; D110-L121 PolarHBondContact OD2-N 2.92Å
111	Y	97.7	Very high	96.5	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.008	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-64.3	-22.3	-178.6	53.3	-101.3	0	0	0	114.3	P109 C113 H114 G117 Y183 S185 Y189	P109-Y111 VanDerWaalsContact C-N 3.32Å; P109-Y111 HydrophobicContact CB-CD1 3.95Å; P109-Y111 HydrophobicContact CB-CE1 3.44Å; P109-Y111 VanDerWaalsContact CB-CE1 3.44Å; P109-Y111 HydrophobicContact CB-CE2 4.39Å; P109-Y111 HydrophobicContact CG-CD1 4.26Å; P109-Y111 HydrophobicContact CG-CD2 4.38Å; P109-Y111 HydrophobicContact CG-CE1 3.55Å; P109-Y111 HydrophobicContact CG-CE2 3.65Å; P109-Y111 WeakPolarHBondContact CG-OH 3.44Å; P109-Y111 PolarHBondContact O-N 3.09Å; Y111-C113 PolarHBondContact O-N 2.86Å; Y111-H114 PolarHBondContact O-N 3.45Å; Y111-H114 VanDerWaalsContact O-N 3.07Å; Y111-G117 WeakPolarHBondContact CB-O 3.31Å; Y111-G117 WeakPolarHBondContact O-CA 3.27Å; Y111-Y183 HydrophobicContact CE2-CE1 4.35Å; Y111-S185 WeakPolarHBondContact CE2-O 3.26Å; Y111-S185 VanDerWaalsContact CZ-O 3.31Å; Y111-S185 VanDerWaalsContact OH-C 3.32Å; Y111-S185 WeakPolarHBondContact OH-CA 3.2Å; Y111-S185 WeakPolarHBondContact OH-CB 3.35Å; Y111-S185 PolarHBondContact OH-O 2.68Å; Y111-Y189 AromaticContact CD1-CD2 3.81Å; Y111-Y189 HydrophobicContact CD1-CD2 3.81Å; Y111-Y189 HydrophobicContact CD1-CE2 4.45Å; Y111-Y189 HydrophobicContact CD2-CD2 4.33Å; Y111-Y189 AromaticContact CE1-CD2 3.85Å; Y111-Y189 HydrophobicContact CE1-CD2 3.85Å; Y111-Y189 HydrophobicContact CE2-CD2 4.42Å; Y111-Y189 HydrophobicContact CG-CD2 4.04Å
112	V	94.6	Very high	96.5	Very high	41 Å²	41	63.3 Å²	63.3	25%	0.248	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.4	-31.5	-178.7	-175.9	0	0	0	0	111.5	R108 P109 D110 Y183	R108-V112 HydrophobicContact CB-CB 4.23Å; R108-V112 HydrophobicContact CB-CG2 4.19Å; R108-V112 HydrophobicContact CG-CG1 4.39Å; P109-V112 HydrophobicContact CG-CG2 3.89Å; P109-V112 WeakPolarHBondContact O-CG2 3.42Å; P109-V112 PolarHBondContact O-N 2.98Å; D110-V112 PolarHBondContact O-N 3.25Å; V112-Y183 HydrophobicContact CG1-CE2 4.27Å; V112-Y183 HydrophobicContact CG2-CE1 3.71Å; V112-Y183 HydrophobicContact CG2-CE2 3.89Å; V112-Y183 VanDerWaalsContact CG2-OH 3.28Å; V112-Y183 WeakPolarHBondContact CG2-OH 3.45Å
113	C	90	Very high	96.3	Very high	110 Å²	110	68 Å²	68	74%	0.743	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-84.6	-11.7	178.5	-63.8	0	0	0	0	112.8	D110 Y111	D110-C113 PolarHBondContact O-N 3.07Å; Y111-C113 PolarHBondContact O-N 2.86Å
114	H	95.2	Very high	96	Very high	47 Å²	47	69.9 Å²	69.9	22%	0.218	37%	0.373	C	S	.	.	S	Bend	trans	-86.1	129.9	-178.9	-171.6	-83.3	0	0	0	110.6	Y111 R116 G117 I118	Y111-H114 PolarHBondContact O-N 3.45Å; Y111-H114 VanDerWaalsContact O-N 3.07Å; H114-R116 PolarHBondContact ND1-N 3.41Å; H114-R116 PolarHBondContact O-N 2.85Å; H114-G117 PolarHBondContact O-N 2.82Å; H114-I118 WeakPolarHBondContact CB-O 3.46Å; H114-I118 PolarHBondContact ND1-N 2.81Å
115	P	93.9	Very high	95.8	Very high	124 Å²	124	63.2 Å²	63.2	81%	0.805	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.1	-176.6	-27.5	34.4	0	0	0	115.4
116	R	95.9	Very high	95.1	Very high	164 Å²	164	66.7 Å²	66.7	62%	0.619	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	10.1	176.7	-54.8	-175.3	-71	156	1.5	114	H114 I118 T191	H114-R116 PolarHBondContact ND1-N 3.41Å; H114-R116 PolarHBondContact O-N 2.85Å; R116-I118 VanDerWaalsContact C-N 3.29Å; R116-I118 HydrophobicContact CB-CD1 3.98Å; R116-I118 HydrophobicContact CB-CG1 4Å; R116-I118 VanDerWaalsContact CZ-CD1 3.45Å; R116-I118 PolarHBondContact O-N 3.4Å; R116-T191 WeakPolarHBondContact O-CG2 3.31Å
117	G	97.2	Very high	94.5	Very high	4 Å²	4	76 Å²	76	4%	0.041	39%	0.39	C	S	.	.			trans	65.4	27.3	-179	0	0	0	0	0	114.5	Y111 H114 G188 H190	Y111-G117 WeakPolarHBondContact CB-O 3.31Å; Y111-G117 WeakPolarHBondContact O-CA 3.27Å; H114-G117 PolarHBondContact O-N 2.82Å; G117-G188 WeakPolarHBondContact CA-O 3.28Å; G117-H190 WeakPolarHBondContact O-CA 3.43Å; G117-H190 PolarHBondContact O-N 2.86Å
118	I	97.3	Very high	94.1	Very high	19 Å²	19	73.6 Å²	73.6	10%	0.097	38%	0.384	C	S	.	.			trans	-93.2	129.5	-174.6	-62.9	176.3	0	0	0	108.7	H114 R116 L120 M123	H114-I118 WeakPolarHBondContact CB-O 3.46Å; H114-I118 PolarHBondContact ND1-N 2.81Å; R116-I118 VanDerWaalsContact C-N 3.29Å; R116-I118 HydrophobicContact CB-CD1 3.98Å; R116-I118 HydrophobicContact CB-CG1 4Å; R116-I118 VanDerWaalsContact CZ-CD1 3.45Å; R116-I118 PolarHBondContact O-N 3.4Å; I118-L120 PolarHBondContact O-N 3.49Å; I118-M123 HydrophobicContact CG2-CG 3.93Å; I118-M123 HydrophobicContact CG2-SD 3.29Å; I118-M123 WeakPolarHBondContact CG2-SD 3.23Å
119	S	97.7	Very high	93.8	Very high	3 Å²	3	74 Å²	74	2%	0.021	40%	0.399	C	S	.	.			trans	-76.9	114.4	169.8	-179.4	0	0	0	0	109.6	D110 L121 E122 M123	D110-S119 VanDerWaalsContact CG-OG 3.25Å; D110-S119 WeakPolarHBondContact OD1-CA 3.37Å; D110-S119 VanDerWaalsContact OD1-CB 3.29Å; D110-S119 WeakPolarHBondContact OD1-CB 3.3Å; D110-S119 PolarHBondContact OD1-OG 2.85Å; D110-S119 WeakPolarHBondContact OD2-CA 3.05Å; D110-S119 PolarHBondContact OD2-OG 3.1Å; S119-L121 VanDerWaalsContact C-N 3.27Å; S119-E122 WeakPolarHBondContact OG-CG 3.31Å; S119-E122 PolarHBondContact OG-N 2.79Å; S119-M123 WeakPolarHBondContact O-CG 3.49Å; S119-M123 PolarHBondContact O-N 2.84Å; S119-M123 VanDerWaalsContact O-N 3.15Å
120	L	96.1	Very high	93.6	Very high	106 Å²	106	79 Å²	79	56%	0.555	43%	0.429	S	S	*	.	H	α-helix	trans	-72.1	-29.8	175.6	-63.3	-179.3	0	0	0	110.6	D110 I118 M123 S124	D110-L120 PolarHBondContact OD2-N 3.34Å; I118-L120 PolarHBondContact O-N 3.49Å; L120-M123 HydrophobicContact CD2-SD 4.39Å; L120-M123 PolarHBondContact O-N 3.31Å; L120-S124 PolarHBondContact O-N 3.34Å
121	L	95.5	Very high	93.6	Very high	96 Å²	96	77.7 Å²	77.7	50%	0.503	42%	0.422	S	S	.	.	H	α-helix	trans	-64.6	-47.1	175.1	-63.9	175.6	0	0	0	111.3	D110 S119 M123 S124 T125 L302	D110-L121 HydrophobicContact CB-CD1 4.17Å; D110-L121 HydrophobicContact CB-CG 4.41Å; D110-L121 WeakPolarHBondContact OD2-CG 3.19Å; D110-L121 PolarHBondContact OD2-N 2.92Å; S119-L121 VanDerWaalsContact C-N 3.27Å; L121-M123 PolarHBondContact O-N 3.05Å; L121-S124 WeakPolarHBondContact O-CB 3.41Å; L121-S124 PolarHBondContact O-N 3.44Å; L121-S124 PolarHBondContact O-OG 3.32Å; L121-T125 PolarHBondContact O-N 3.21Å; L121-L302 HydrophobicContact CB-CD2 3.54Å
122	E	96.9	Very high	93.6	Very high	20 Å²	20	80.9 Å²	80.9	9%	0.093	44%	0.437	C	S	.	.	H	α-helix	trans	-64.5	-39.8	174.7	-68.4	176	173.9	0	0	112.5	S119 S124 T125 K126 Y189 L302 F303 H304	S119-E122 WeakPolarHBondContact OG-CG 3.31Å; S119-E122 PolarHBondContact OG-N 2.79Å; E122-S124 PolarHBondContact O-N 2.87Å; E122-T125 PolarHBondContact O-N 2.81Å; E122-T125 VanDerWaalsContact O-N 3.15Å; E122-T125 PolarHBondContact O-OG1 2.79Å; E122-T125 VanDerWaalsContact O-OG1 3.06Å; E122-K126 PolarHBondContact O-N 3.42Å; E122-Y189 WeakPolarHBondContact OE2-CE2 3.34Å; E122-Y189 PolarHBondContact OE2-OH 2.82Å; E122-L302 HydrophobicContact CG-CB 3.98Å; E122-L302 HydrophobicContact CG-CD1 4.3Å; E122-L302 HydrophobicContact CG-CD2 4.06Å; E122-L302 HydrophobicContact CG-CG 4.32Å; E122-F303 WeakPolarHBondContact OE1-CA 3.5Å; E122-F303 WeakPolarHBondContact OE1-CB 3.37Å; E122-F303 PolarHBondContact OE1-N 3.41Å; E122-H304 PolarHBondContact OE1-N 2.89Å
123	M	94.1	Very high	93.7	Very high	116 Å²	116	82.8 Å²	82.8	57%	0.571	45%	0.448	S	S	*	.	H	α-helix	trans	-59.4	-36.2	175.1	-78	-171.6	67.5	0	0	112.3	I118 S119 L120 L121 T125 K126	I118-M123 HydrophobicContact CG2-CG 3.93Å; I118-M123 HydrophobicContact CG2-SD 3.29Å; I118-M123 WeakPolarHBondContact CG2-SD 3.23Å; S119-M123 WeakPolarHBondContact O-CG 3.49Å; S119-M123 PolarHBondContact O-N 2.84Å; S119-M123 VanDerWaalsContact O-N 3.15Å; L120-M123 HydrophobicContact CD2-SD 4.39Å; L120-M123 PolarHBondContact O-N 3.31Å; L121-M123 PolarHBondContact O-N 3.05Å; M123-T125 VanDerWaalsContact C-N 3.26Å; M123-T125 PolarHBondContact O-N 3.08Å; M123-K126 WeakPolarHBondContact O-CB 3.44Å; M123-K126 PolarHBondContact O-N 2.97Å
124	S	92.9	Very high	94.2	Very high	94 Å²	94	78 Å²	78	66%	0.657	42%	0.415	S	S	*	.	H	α-helix	trans	-68.4	-24.9	179.8	80.1	0	0	0	0	113.2	L120 L121 E122	L120-S124 PolarHBondContact O-N 3.34Å; L121-S124 WeakPolarHBondContact O-CB 3.41Å; L121-S124 PolarHBondContact O-N 3.44Å; L121-S124 PolarHBondContact O-OG 3.32Å; E122-S124 PolarHBondContact O-N 2.87Å
125	T	90.4	Very high	94.3	Very high	43 Å²	43	79.5 Å²	79.5	26%	0.264	43%	0.425	S	S	.	.	H	α-helix	trans	-99.8	-5.5	-179	61.6	0	0	0	0	113.5	L121 E122 M123 Q127 S128 L302	L121-T125 PolarHBondContact O-N 3.21Å; E122-T125 PolarHBondContact O-N 2.81Å; E122-T125 VanDerWaalsContact O-N 3.15Å; E122-T125 PolarHBondContact O-OG1 2.79Å; E122-T125 VanDerWaalsContact O-OG1 3.06Å; M123-T125 VanDerWaalsContact C-N 3.26Å; M123-T125 PolarHBondContact O-N 3.08Å; T125-Q127 PolarHBondContact O-N 2.83Å; T125-S128 WeakPolarHBondContact O-CB 3.25Å; T125-S128 PolarHBondContact O-N 2.92Å; T125-L302 HydrophobicContact CG2-CD1 3.98Å; T125-L302 WeakPolarHBondContact OG1-CD1 3.43Å
126	K	82.9	Confident	94.5	Very high	179 Å²	179	80 Å²	80	78%	0.778	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.7	-173.1	-170.2	172.2	-175.7	172	0	115.8	E122 M123	E122-K126 PolarHBondContact O-N 3.42Å; M123-K126 WeakPolarHBondContact O-CB 3.44Å; M123-K126 PolarHBondContact O-N 2.97Å
127	Q	86.5	Confident	94.6	Very high	200 Å²	200	78.9 Å²	78.9	94%	0.935	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.1	178.1	-66.9	-176.6	-9.7	0	0	113.4	T125	T125-Q127 PolarHBondContact O-N 2.83Å
128	S	89.4	Confident	94.7	Very high	46 Å²	46	79.8 Å²	79.8	32%	0.322	43%	0.426	S	S	.	.			trans	-75.2	136.9	179.7	-174.8	0	0	0	0	110.5	T125 V130 V306	T125-S128 WeakPolarHBondContact O-CB 3.25Å; T125-S128 PolarHBondContact O-N 2.92Å; S128-V130 WeakPolarHBondContact OG-CB 3.5Å; S128-V130 PolarHBondContact OG-N 2.98Å; S128-V306 WeakPolarHBondContact O-CG1 3.37Å
129	S	90.1	Very high	94.7	Very high	86 Å²	86	80.1 Å²	80.1	60%	0.601	43%	0.428	S	S	*	.			trans	-101.1	7.8	164.4	66.2	0	0	0	0	112.2	I131	S129-I131 PolarHBondContact O-N 3.47Å
130	V	94.4	Very high	94.8	Very high	109 Å²	109	85.2 Å²	85.2	66%	0.661	45%	0.451	S	S	*	.			trans	-82.1	111.2	-178.9	-177.1	0	0	0	0	108.7	S128 V306	S128-V130 WeakPolarHBondContact OG-CB 3.5Å; S128-V130 PolarHBondContact OG-N 2.98Å; V130-V306 VanDerWaalsContact O-CG2 3.28Å; V130-V306 WeakPolarHBondContact O-CG2 3.34Å
131	I	97.4	Very high	94.9	Very high	23 Å²	23	81.1 Å²	81.1	12%	0.118	43%	0.433	C	S	.	.			trans	-81	127.9	172.9	-54.7	168.2	0	0	0	107.7	S129 Y272 V306 P307 H325	S129-I131 PolarHBondContact O-N 3.47Å; I131-Y272 HydrophobicContact CD1-CD2 4.05Å; I131-Y272 HydrophobicContact CD1-CE2 3.42Å; I131-Y272 VanDerWaalsContact CD1-CE2 3.42Å; I131-V306 HydrophobicContact CG1-CG2 4.37Å; I131-P307 HydrophobicContact CD1-CB 3.78Å; I131-P307 HydrophobicContact CD1-CG 4.06Å; I131-P307 HydrophobicContact CG1-CB 4.25Å; I131-P307 HydrophobicContact CG1-CG 4.5Å; I131-H325 HydrophobicContact CG2-CB 4.33Å
132	Q	96.7	Very high	95	Very high	68 Å²	68	76.6 Å²	76.6	32%	0.318	41%	0.409	S	S	.	.			trans	-67.4	132.9	179.9	-172.1	176.7	-18.7	0	0	110.3	L134 E138 N300 H325	Q132-L134 HydrophobicContact CG-CD2 3.91Å; Q132-E138 PolarHBondContact NE2-OE1 3.18Å; Q132-E138 PolarHBondContact NE2-OE2 3.32Å; Q132-N300 PolarHBondContact OE1-ND2 3.11Å; Q132-H325 PolarHBondContact O-CD2 3.36Å
133	V	98.3	Very high	95.1	Very high	82 Å²	82	79.7 Å²	79.7	50%	0.497	42%	0.42	S	S	.	.			trans	-96.6	111.9	165.4	175.6	0	0	0	0	106.1	T323	V133-T323 WeakPolarHBondContact CG1-O 3.32Å
134	L	98.5	Very high	95.3	Very high	9 Å²	9	76.3 Å²	76.3	5%	0.047	41%	0.405	C	S	.	.			trans	-69.2	145.2	179.7	-60.4	-169.1	0	0	0	110.8	Q132 E138 I139 M142 N300 G324 T326	Q132-L134 HydrophobicContact CG-CD2 3.91Å; L134-E138 HydrophobicContact CB-CB 3.93Å; L134-E138 HydrophobicContact CD1-CB 4.33Å; L134-E138 HydrophobicContact CD2-CB 4.05Å; L134-E138 HydrophobicContact CG-CB 4.32Å; L134-I139 HydrophobicContact CB-CD1 4.45Å; L134-I139 HydrophobicContact CB-CG1 3.73Å; L134-I139 HydrophobicContact CD1-CG1 4.43Å; L134-M142 HydrophobicContact CD1-CG 3.6Å; L134-N300 HydrophobicContact CD1-CB 4.48Å; L134-N300 HydrophobicContact CD2-CB 4.05Å; L134-G324 WeakPolarHBondContact CG-O 3.33Å; L134-G324 PolarHBondContact N-O 3.1Å; L134-T326 HydrophobicContact CD1-CG2 3.54Å; L134-T326 HydrophobicContact CG-CG2 4.41Å
135	N	98.2	Very high	95.6	Very high	78 Å²	78	71.9 Å²	71.9	42%	0.417	37%	0.374	S	S	.	.			trans	-83.3	178.4	166.4	70.3	25	0	0	0	111	E137 E138 I139	N135-E137 VanDerWaalsContact C-N 3.35Å; N135-E137 VanDerWaalsContact CG-OE2 3.29Å; N135-E137 PolarHBondContact O-N 3.37Å; N135-E137 PolarHBondContact OD1-N 3.19Å; N135-E137 VanDerWaalsContact OD1-N 3.11Å; N135-E137 PolarHBondContact OD1-OE2 2.8Å; N135-E138 PolarHBondContact O-N 2.85Å; N135-E138 WeakPolarHBondContact OD1-CB 3.39Å; N135-E138 VanDerWaalsContact OD1-CG 3.23Å; N135-E138 WeakPolarHBondContact OD1-CG 3.4Å; N135-E138 PolarHBondContact OD1-N 2.8Å; N135-I139 WeakPolarHBondContact O-CB 3.33Å; N135-I139 VanDerWaalsContact O-CG1 3.28Å; N135-I139 WeakPolarHBondContact O-CG1 3.22Å; N135-I139 PolarHBondContact O-N 3.32Å
136	D	98	Very high	96	Very high	134 Å²	134	69.8 Å²	69.8	72%	0.717	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-39.5	-176.2	-65.7	-16.9	0	0	0	112.8	I139 E140	D136-I139 PolarHBondContact O-N 3.21Å; D136-E140 PolarHBondContact O-N 3.09Å
137	E	98.2	Very high	96.8	Very high	141 Å²	141	67.4 Å²	67.4	66%	0.659	35%	0.351	S	S	*	.	H	α-helix	trans	-67.3	-40.1	177.8	-62.9	83.8	-175.3	0	0	112.6	N135 E140 A141	N135-E137 VanDerWaalsContact C-N 3.35Å; N135-E137 VanDerWaalsContact CG-OE2 3.29Å; N135-E137 PolarHBondContact O-N 3.37Å; N135-E137 PolarHBondContact OD1-N 3.19Å; N135-E137 VanDerWaalsContact OD1-N 3.11Å; N135-E137 PolarHBondContact OD1-OE2 2.8Å; E137-E140 PolarHBondContact O-N 3.22Å; E137-A141 PolarHBondContact O-N 3.16Å
138	E	98.5	Very high	97.4	Very high	23 Å²	23	59 Å²	59	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-70.4	-35.9	177.7	-63.6	-168.9	132.4	0	0	111.6	Q132 L134 N135 A141 M142 F231 R301	Q132-E138 PolarHBondContact NE2-OE1 3.18Å; Q132-E138 PolarHBondContact NE2-OE2 3.32Å; L134-E138 HydrophobicContact CB-CB 3.93Å; L134-E138 HydrophobicContact CD1-CB 4.33Å; L134-E138 HydrophobicContact CD2-CB 4.05Å; L134-E138 HydrophobicContact CG-CB 4.32Å; N135-E138 PolarHBondContact O-N 2.85Å; N135-E138 WeakPolarHBondContact OD1-CB 3.39Å; N135-E138 VanDerWaalsContact OD1-CG 3.23Å; N135-E138 WeakPolarHBondContact OD1-CG 3.4Å; N135-E138 PolarHBondContact OD1-N 2.8Å; E138-A141 PolarHBondContact O-N 3.15Å; E138-M142 WeakPolarHBondContact O-CG 3.42Å; E138-M142 PolarHBondContact O-N 2.99Å; E138-F231 HydrophobicContact CB-CE1 3.94Å; E138-F231 HydrophobicContact CB-CZ 3.63Å; E138-F231 HydrophobicContact CG-CE1 4.32Å; E138-F231 HydrophobicContact CG-CZ 3.61Å; E138-R301 IonicContact OE1-CZ 3.2Å; E138-R301 IonicContact OE1-NE 2.75Å; E138-R301 PolarHBondContact OE1-NE 3.08Å; E138-R301 IonicContact OE1-NH2 2.73Å; E138-R301 PolarHBondContact OE1-NH2 2.9Å
139	I	98.6	Very high	97.8	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.138	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-46.2	172.2	-73.9	168.8	0	0	0	110.5	L134 N135 D136 A141 M142 R143 L365	L134-I139 HydrophobicContact CB-CD1 4.45Å; L134-I139 HydrophobicContact CB-CG1 3.73Å; L134-I139 HydrophobicContact CD1-CG1 4.43Å; N135-I139 WeakPolarHBondContact O-CB 3.33Å; N135-I139 VanDerWaalsContact O-CG1 3.28Å; N135-I139 WeakPolarHBondContact O-CG1 3.22Å; N135-I139 PolarHBondContact O-N 3.32Å; D136-I139 PolarHBondContact O-N 3.21Å; I139-A141 VanDerWaalsContact C-N 3.34Å; I139-A141 PolarHBondContact O-N 3.32Å; I139-M142 WeakPolarHBondContact O-CB 3.42Å; I139-M142 PolarHBondContact O-N 2.89Å; I139-R143 WeakPolarHBondContact O-CG 3.49Å; I139-R143 PolarHBondContact O-N 3.38Å; I139-L365 HydrophobicContact CD1-CD1 4.35Å; I139-L365 HydrophobicContact CG1-CD1 4.09Å; I139-L365 HydrophobicContact CG1-CD2 4.39Å; I139-L365 HydrophobicContact CG2-CD2 3.65Å
140	E	98.6	Very high	98.2	Very high	109 Å²	109	53 Å²	53	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-40.1	178.1	-175.9	56.5	-157.8	0	0	111.7	D136 E137 M142 R143 V144	D136-E140 PolarHBondContact O-N 3.09Å; E137-E140 PolarHBondContact O-N 3.22Å; E140-M142 VanDerWaalsContact C-N 3.31Å; E140-M142 PolarHBondContact O-N 3.42Å; E140-R143 WeakPolarHBondContact O-CB 3.1Å; E140-R143 PolarHBondContact O-N 3.39Å; E140-V144 WeakPolarHBondContact O-CG2 3.38Å; E140-V144 PolarHBondContact O-N 3.27Å
141	A	98.5	Very high	98.4	Very high	21 Å²	21	50.9 Å²	50.9	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-38	174.7	0	0	0	0	0	112.6	E137 E138 I139 S145 F231	E137-A141 PolarHBondContact O-N 3.16Å; E138-A141 PolarHBondContact O-N 3.15Å; I139-A141 VanDerWaalsContact C-N 3.34Å; I139-A141 PolarHBondContact O-N 3.32Å; A141-S145 WeakPolarHBondContact O-CB 3.32Å; A141-S145 PolarHBondContact O-N 2.73Å; A141-S145 PolarHBondContact O-OG 3.33Å; A141-F231 HydrophobicContact CB-CB 4.46Å; A141-F231 HydrophobicContact CB-CD1 4.46Å; A141-F231 HydrophobicContact CB-CD2 3.32Å; A141-F231 HydrophobicContact CB-CE2 3.58Å; A141-F231 HydrophobicContact CB-CG 3.83Å; A141-F231 HydrophobicContact CB-CZ 4.27Å
142	M	98.7	Very high	98.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-44.5	172.2	-78.8	-60.1	-67.1	0	0	112.3	L134 E138 I139 E140 V144 S145 C146 F231 H232 I299 N300 T326 T363 L374	L134-M142 HydrophobicContact CD1-CG 3.6Å; E138-M142 WeakPolarHBondContact O-CG 3.42Å; E138-M142 PolarHBondContact O-N 2.99Å; I139-M142 WeakPolarHBondContact O-CB 3.42Å; I139-M142 PolarHBondContact O-N 2.89Å; E140-M142 VanDerWaalsContact C-N 3.31Å; E140-M142 PolarHBondContact O-N 3.42Å; M142-V144 VanDerWaalsContact C-N 3.33Å; M142-V144 PolarHBondContact O-N 2.74Å; M142-S145 PolarHBondContact O-N 3.26Å; M142-C146 VanDerWaalsContact O-CB 3.24Å; M142-C146 WeakPolarHBondContact O-CB 3.17Å; M142-C146 PolarHBondContact O-N 3.29Å; M142-C146 PolarHBondContact O-SG 3.21Å; M142-F231 HydrophobicContact CG-CD1 3.76Å; M142-F231 HydrophobicContact CG-CE1 4.26Å; M142-F231 HydrophobicContact SD-CB 4.14Å; M142-F231 HydrophobicContact SD-CD1 3.6Å; M142-F231 HydrophobicContact SD-CG 4.31Å; M142-H232 WeakPolarHBondContact CE-O 3.47Å; M142-H232 VanDerWaalsContact SD-O 3.36Å; M142-I299 HydrophobicContact CE-CG2 4.17Å; M142-N300 HydrophobicContact SD-CB 4.29Å; M142-T326 HydrophobicContact CE-CG2 4.32Å; M142-T326 HydrophobicContact CG-CG2 4.26Å; M142-T363 HydrophobicContact CE-CG2 3.66Å; M142-L374 HydrophobicContact CB-CD1 3.91Å; M142-L374 HydrophobicContact CE-CD1 4.39Å
143	R	98.7	Very high	98.6	Very high	85 Å²	85	46.5 Å²	46.5	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-58.3	-45.1	176.7	-70.6	-177.7	-169.8	-66.9	4.8	111.7	I139 E140 K147 D372 L374	I139-R143 WeakPolarHBondContact O-CG 3.49Å; I139-R143 PolarHBondContact O-N 3.38Å; E140-R143 WeakPolarHBondContact O-CB 3.1Å; E140-R143 PolarHBondContact O-N 3.39Å; R143-K147 VanDerWaalsContact O-CB 3.25Å; R143-K147 WeakPolarHBondContact O-CB 3.36Å; R143-K147 PolarHBondContact O-N 3.33Å; R143-D372 IonicContact CZ-OD2 3.82Å; R143-D372 VanDerWaalsContact CZ-OD2 3.23Å; R143-D372 IonicContact NH1-OD2 2.94Å; R143-D372 PolarHBondContact NH1-OD2 3Å; R143-D372 IonicContact NH2-OD2 3.27Å; R143-D372 PolarHBondContact NH2-OD2 3.04Å; R143-L374 HydrophobicContact CG-CD2 4.02Å; R143-L374 VanDerWaalsContact NH1-CD2 3.33Å
144	V	98.6	Very high	98.6	Very high	45 Å²	45	44 Å²	44	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-63.8	-50.5	177.7	174.6	0	0	0	0	111.1	E140 M142 C146 K147 L148	E140-V144 WeakPolarHBondContact O-CG2 3.38Å; E140-V144 PolarHBondContact O-N 3.27Å; M142-V144 VanDerWaalsContact C-N 3.33Å; M142-V144 PolarHBondContact O-N 2.74Å; V144-C146 PolarHBondContact O-N 3.05Å; V144-K147 PolarHBondContact O-N 3.28Å; V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 HydrophobicContact CG1-CG 4.47Å; V144-L148 VanDerWaalsContact O-CG 3.32Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 2.93Å
145	S	98.7	Very high	98.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-42.9	-177.2	-53.8	0	0	0	0	112	A141 M142 L148 A149 H228 F231	A141-S145 WeakPolarHBondContact O-CB 3.32Å; A141-S145 PolarHBondContact O-N 2.73Å; A141-S145 PolarHBondContact O-OG 3.33Å; M142-S145 PolarHBondContact O-N 3.26Å; S145-L148 PolarHBondContact O-N 2.65Å; S145-A149 PolarHBondContact O-N 3.07Å; S145-H228 PolarHBondContact OG-O 3.12Å; S145-F231 PolarHBondContact OG-O 3.32Å
146	C	98.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-40.1	176.7	-69.8	0	0	0	0	112.7	M142 V144 A149 R150 L374 T375	M142-C146 VanDerWaalsContact O-CB 3.24Å; M142-C146 WeakPolarHBondContact O-CB 3.17Å; M142-C146 PolarHBondContact O-N 3.29Å; M142-C146 PolarHBondContact O-SG 3.21Å; V144-C146 PolarHBondContact O-N 3.05Å; C146-A149 PolarHBondContact O-N 2.83Å; C146-R150 PolarHBondContact O-N 3.29Å; C146-L374 HydrophobicContact CB-CB 3.56Å; C146-L374 WeakPolarHBondContact CB-O 3.46Å; C146-T375 HydrophobicContact CB-CG2 3.52Å
147	K	98.7	Very high	98.5	Very high	128 Å²	128	37.1 Å²	37.1	56%	0.557	18%	0.178	S	C	*	.	H	α-helix	trans	-61.7	-45.2	174.8	-178.3	-174.2	173.9	-162.2	0	111.3	R143 V144 A149 R150 E151	R143-K147 VanDerWaalsContact O-CB 3.25Å; R143-K147 WeakPolarHBondContact O-CB 3.36Å; R143-K147 PolarHBondContact O-N 3.33Å; V144-K147 PolarHBondContact O-N 3.28Å; K147-A149 VanDerWaalsContact C-N 3.33Å; K147-A149 PolarHBondContact O-N 3.47Å; K147-R150 WeakPolarHBondContact O-CB 3.43Å; K147-R150 PolarHBondContact O-N 3.14Å; K147-E151 WeakPolarHBondContact CE-OE1 3.5Å; K147-E151 IonicContact NZ-OE1 2.68Å; K147-E151 WeakPolarHBondContact O-CG 3.2Å; K147-E151 PolarHBondContact O-N 2.85Å
148	L	98.8	Very high	98.4	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-40.2	177.6	-66.5	168.7	0	0	0	111.4	V144 S145 R150 E151 V152 R180 L226 H228	V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 HydrophobicContact CG1-CG 4.47Å; V144-L148 VanDerWaalsContact O-CG 3.32Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 2.93Å; S145-L148 PolarHBondContact O-N 2.65Å; L148-R150 PolarHBondContact O-N 3.4Å; L148-E151 PolarHBondContact O-N 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 3.26Å; L148-R180 HydrophobicContact CD2-CB 4.23Å; L148-R180 HydrophobicContact CD2-CG 4.27Å; L148-L226 VanDerWaalsContact C-CD1 3.5Å; L148-L226 HydrophobicContact CB-CD1 4.01Å; L148-L226 WeakPolarHBondContact O-CD1 3.48Å; L148-H228 HydrophobicContact CD1-CB 4.19Å
149	A	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-43.9	175.5	0	0	0	0	0	111.8	S145 C146 K147 V152 M153 I224 L226 G233 L235	S145-A149 PolarHBondContact O-N 3.07Å; C146-A149 PolarHBondContact O-N 2.83Å; K147-A149 VanDerWaalsContact C-N 3.33Å; K147-A149 PolarHBondContact O-N 3.47Å; A149-V152 PolarHBondContact O-N 3.08Å; A149-M153 PolarHBondContact O-N 3.08Å; A149-I224 HydrophobicContact CB-CG2 4.44Å; A149-L226 HydrophobicContact CB-CB 4.28Å; A149-L226 HydrophobicContact CB-CD1 4.27Å; A149-L226 HydrophobicContact CB-CG 4.01Å; A149-G233 WeakPolarHBondContact CB-O 3.46Å; A149-L235 HydrophobicContact CB-CD2 3.6Å
150	R	98.8	Very high	98.2	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-47.5	171.3	167.1	54.4	64.5	-175.3	2.2	112.2	C146 K147 L148 V152 M153 D154 L235 E237 T375	C146-R150 PolarHBondContact O-N 3.29Å; K147-R150 WeakPolarHBondContact O-CB 3.43Å; K147-R150 PolarHBondContact O-N 3.14Å; L148-R150 PolarHBondContact O-N 3.4Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 PolarHBondContact O-N 3.03Å; R150-M153 PolarHBondContact O-N 3.24Å; R150-D154 VanDerWaalsContact CD-CG 3.45Å; R150-D154 VanDerWaalsContact CD-OD1 3.28Å; R150-D154 WeakPolarHBondContact CD-OD1 3.39Å; R150-D154 WeakPolarHBondContact CD-OD2 3.48Å; R150-D154 IonicContact CZ-OD1 2.85Å; R150-D154 IonicContact NH1-OD1 3.95Å; R150-D154 PolarHBondContact NH1-OD1 3.1Å; R150-D154 PolarHBondContact O-N 3.43Å; R150-L235 HydrophobicContact CB-CD1 4.02Å; R150-E237 IonicContact CZ-OE1 2.97Å; R150-E237 IonicContact NH1-OE1 3.23Å; R150-E237 PolarHBondContact NH1-OE1 3.4Å; R150-E237 IonicContact NH2-OE1 3.25Å; R150-E237 PolarHBondContact NH2-OE1 3.13Å; R150-T375 PolarHBondContact NE-O 3.46Å; R150-T375 PolarHBondContact NH2-O 3.29Å; R150-T375 VanDerWaalsContact NH2-O 3.08Å
151	E	98.6	Very high	98.2	Very high	64 Å²	64	34.9 Å²	34.9	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-40.2	178.7	-71.6	175.1	-171.1	0	0	112.4	K147 L148 E155 R180	K147-E151 WeakPolarHBondContact CE-OE1 3.5Å; K147-E151 IonicContact NZ-OE1 2.68Å; K147-E151 WeakPolarHBondContact O-CG 3.2Å; K147-E151 PolarHBondContact O-N 2.85Å; L148-E151 PolarHBondContact O-N 3.26Å; E151-E155 WeakPolarHBondContact O-CB 3.22Å; E151-E155 PolarHBondContact O-N 2.86Å; E151-E155 VanDerWaalsContact O-N 3.09Å; E151-R180 IonicContact OE2-NE 2.79Å; E151-R180 PolarHBondContact OE2-NE 3.33Å
152	V	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-42.1	175.5	170.2	0	0	0	0	111.7	L148 A149 R150 E155 A156 V173 A176 I224 L226	L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 3.26Å; A149-V152 PolarHBondContact O-N 3.08Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 PolarHBondContact O-N 3.03Å; V152-E155 PolarHBondContact O-N 2.96Å; V152-A156 PolarHBondContact O-N 2.97Å; V152-A156 VanDerWaalsContact O-N 3.1Å; V152-V173 HydrophobicContact CG1-CB 4.29Å; V152-V173 HydrophobicContact CG1-CG1 3.87Å; V152-V173 HydrophobicContact CG1-CG2 4.43Å; V152-A176 HydrophobicContact CB-CB 4.5Å; V152-A176 HydrophobicContact CG1-CB 4.17Å; V152-A176 HydrophobicContact CG2-CB 3.99Å; V152-I224 HydrophobicContact CB-CG2 4.44Å; V152-I224 HydrophobicContact CG1-CG2 4.15Å; V152-L226 HydrophobicContact CB-CD1 4.18Å; V152-L226 HydrophobicContact CG2-CD1 3.63Å
153	M	98.6	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-49	173.6	168	163.1	-76.8	0	0	111.4	A149 R150 E155 A156 A157 L222 I224 L235 E237 F239	A149-M153 PolarHBondContact O-N 3.08Å; R150-M153 PolarHBondContact O-N 3.24Å; M153-E155 VanDerWaalsContact C-N 3.28Å; M153-E155 PolarHBondContact O-N 2.71Å; M153-A156 PolarHBondContact O-N 3.21Å; M153-A157 WeakPolarHBondContact O-CB 3.18Å; M153-A157 PolarHBondContact O-N 2.87Å; M153-L222 WeakPolarHBondContact CE-O 3.26Å; M153-I224 HydrophobicContact CB-CG1 4.13Å; M153-I224 HydrophobicContact CE-CB 4.46Å; M153-I224 HydrophobicContact CE-CG1 3.91Å; M153-L235 HydrophobicContact CB-CD1 4.24Å; M153-L235 HydrophobicContact CB-CD2 4.47Å; M153-L235 HydrophobicContact CB-CG 4.49Å; M153-L235 HydrophobicContact CE-CD1 4.47Å; M153-L235 HydrophobicContact CE-CG 3.94Å; M153-L235 HydrophobicContact SD-CD1 3.64Å; M153-L235 HydrophobicContact SD-CG 3.77Å; M153-E237 HydrophobicContact CE-CB 4.46Å; M153-E237 HydrophobicContact SD-CB 4.13Å; M153-E237 HydrophobicContact SD-CG 3.84Å; M153-F239 HydrophobicContact CG-CZ 4.45Å
154	D	98.2	Very high	98.1	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.15	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-35.5	-177.6	-71.1	-13.6	0	0	0	111.8	R150 A158 W385	R150-D154 VanDerWaalsContact CD-CG 3.45Å; R150-D154 VanDerWaalsContact CD-OD1 3.28Å; R150-D154 WeakPolarHBondContact CD-OD1 3.39Å; R150-D154 WeakPolarHBondContact CD-OD2 3.48Å; R150-D154 IonicContact CZ-OD1 2.85Å; R150-D154 IonicContact NH1-OD1 3.95Å; R150-D154 PolarHBondContact NH1-OD1 3.1Å; R150-D154 PolarHBondContact O-N 3.43Å; D154-A158 PolarHBondContact O-N 2.95Å; D154-W385 HydrophobicContact CB-CZ2 4.04Å; D154-W385 WeakPolarHBondContact O-CZ2 3.24Å; D154-W385 PolarHBondContact OD1-NE1 2.9Å
155	E	98	Very high	98.1	Very high	70 Å²	70	35.3 Å²	35.3	33%	0.327	20%	0.202	S	C	.	.	H	α-helix	trans	-65.8	-43	175.5	-169.3	174.2	145	0	0	112.4	E151 V152 M153 I172 R180	E151-E155 WeakPolarHBondContact O-CB 3.22Å; E151-E155 PolarHBondContact O-N 2.86Å; E151-E155 VanDerWaalsContact O-N 3.09Å; V152-E155 PolarHBondContact O-N 2.96Å; M153-E155 VanDerWaalsContact C-N 3.28Å; M153-E155 PolarHBondContact O-N 2.71Å; E155-I172 HydrophobicContact CG-CG2 4.33Å; E155-R180 IonicContact OE2-CZ 3.17Å; E155-R180 IonicContact OE2-NH1 2.87Å; E155-R180 PolarHBondContact OE2-NH1 2.98Å; E155-R180 IonicContact OE2-NH2 3.36Å; E155-R180 PolarHBondContact OE2-NH2 2.77Å
156	A	98.1	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-43.9	175.6	0	0	0	0	0	112.1	V152 M153 A158 Q159 I169 I172 V173 L222	V152-A156 PolarHBondContact O-N 2.97Å; V152-A156 VanDerWaalsContact O-N 3.1Å; M153-A156 PolarHBondContact O-N 3.21Å; A156-A158 VanDerWaalsContact C-N 3.27Å; A156-A158 PolarHBondContact O-N 3.42Å; A156-Q159 PolarHBondContact O-N 3.04Å; A156-I169 HydrophobicContact CB-CG2 4.37Å; A156-I172 HydrophobicContact CB-CG2 4.22Å; A156-V173 HydrophobicContact CB-CG2 3.79Å; A156-L222 HydrophobicContact CB-CD2 3.62Å
157	A	96.5	Very high	98.1	Very high	7 Å²	7	36 Å²	36	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-55.1	-41.2	179.5	0	0	0	0	0	112.6	M153 Q159 I160 F239 W385	M153-A157 WeakPolarHBondContact O-CB 3.18Å; M153-A157 PolarHBondContact O-N 2.87Å; A157-Q159 PolarHBondContact O-N 3.17Å; A157-I160 PolarHBondContact O-N 3.35Å; A157-F239 HydrophobicContact CB-CD1 4.27Å; A157-F239 HydrophobicContact CB-CE1 3.33Å; A157-F239 HydrophobicContact CB-CZ 3.68Å; A157-W385 HydrophobicContact CB-CD2 3.7Å; A157-W385 VanDerWaalsContact CB-CE2 3.43Å; A157-W385 HydrophobicContact CB-CE3 4.25Å; A157-W385 HydrophobicContact CB-CG 4.03Å; A157-W385 HydrophobicContact CB-CH2 4.31Å; A157-W385 HydrophobicContact CB-CZ2 3.78Å
158	A	96.3	Very high	98.1	Very high	60 Å²	60	33.7 Å²	33.7	50%	0.496	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.1	178.8	0	0	0	0	0	114.4	D154 A156 W385	D154-A158 PolarHBondContact O-N 2.95Å; A156-A158 VanDerWaalsContact C-N 3.27Å; A156-A158 PolarHBondContact O-N 3.42Å; A158-W385 HydrophobicContact CB-CH2 3.97Å
159	Q	96	Very high	98.1	Very high	106 Å²	106	32.6 Å²	32.6	50%	0.495	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-17.2	-178.1	-56.2	-60.2	-37.1	0	0	113.4	A156 A157 S161 M164 I172	A156-Q159 PolarHBondContact O-N 3.04Å; A157-Q159 PolarHBondContact O-N 3.17Å; Q159-S161 PolarHBondContact O-N 2.88Å; Q159-S161 VanDerWaalsContact O-N 3.08Å; Q159-S161 PolarHBondContact O-OG 3.04Å; Q159-M164 HydrophobicContact CB-CE 3.86Å; Q159-M164 HydrophobicContact CB-SD 4.09Å; Q159-I172 HydrophobicContact CB-CD1 3.94Å; Q159-I172 HydrophobicContact CG-CD1 3.88Å
160	I	97.7	Very high	98.1	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.138	19%	0.191	C	C	.	.			trans	-59.2	116.1	-175.1	-64	178.5	0	0	0	109.7	A157 I169 L214 V220 L222 F239 V241	A157-I160 PolarHBondContact O-N 3.35Å; I160-I169 HydrophobicContact CD1-CD1 4.48Å; I160-I169 HydrophobicContact CG1-CD1 3.98Å; I160-I169 HydrophobicContact CG1-CG1 4.45Å; I160-L214 HydrophobicContact CG2-CD1 3.94Å; I160-V220 HydrophobicContact CG2-CG1 3.99Å; I160-L222 HydrophobicContact CD1-CD2 4.5Å; I160-F239 HydrophobicContact CD1-CB 4.13Å; I160-F239 HydrophobicContact CD1-CD1 3.98Å; I160-F239 HydrophobicContact CD1-CD2 3.56Å; I160-F239 HydrophobicContact CD1-CE1 4.32Å; I160-F239 HydrophobicContact CD1-CE2 3.98Å; I160-F239 HydrophobicContact CD1-CG 3.59Å; I160-F239 HydrophobicContact CD1-CZ 4.32Å; I160-F239 HydrophobicContact CG2-CB 4.32Å; I160-V241 HydrophobicContact CG2-CG2 4.24Å
161	S	97.6	Very high	98.1	Very high	61 Å²	61	36.3 Å²	36.3	43%	0.427	21%	0.205	S	C	.	.			trans	-155.6	161.2	-174.5	53.9	0	0	0	0	111.8	Q159 G163 M164	Q159-S161 PolarHBondContact O-N 2.88Å; Q159-S161 VanDerWaalsContact O-N 3.08Å; Q159-S161 PolarHBondContact O-OG 3.04Å; S161-G163 PolarHBondContact O-N 3.19Å; S161-M164 WeakPolarHBondContact O-CB 3.47Å; S161-M164 PolarHBondContact O-N 3.14Å; S161-M164 VanDerWaalsContact O-N 3.16Å
162	V	98.4	Very high	98.1	Very high	78 Å²	78	34.1 Å²	34.1	47%	0.473	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	129.1	176.3	178.4	0	0	0	0	109.9	D216 V241	V162-D216 HydrophobicContact CG1-CB 4.37Å; V162-D216 HydrophobicContact CG2-CB 4.02Å; V162-V241 HydrophobicContact CB-CG1 4.49Å; V162-V241 HydrophobicContact CG2-CG1 3.78Å
163	G	98.4	Very high	98.1	Very high	45 Å²	45	34.1 Å²	34.1	46%	0.464	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-10.1	178.9	0	0	0	0	0	115.1	S161 L214	S161-G163 PolarHBondContact O-N 3.19Å; G163-L214 PolarHBondContact N-O 3.19Å
164	M	98.1	Very high	98.1	Very high	20 Å²	20	34.6 Å²	34.6	10%	0.099	20%	0.198	C	C	.	.			trans	-72.2	137.9	171.5	-169.7	178.8	-174	0	0	110.1	Q159 S161 E168 I169 I172 L214	Q159-M164 HydrophobicContact CB-CE 3.86Å; Q159-M164 HydrophobicContact CB-SD 4.09Å; S161-M164 WeakPolarHBondContact O-CB 3.47Å; S161-M164 PolarHBondContact O-N 3.14Å; S161-M164 VanDerWaalsContact O-N 3.16Å; M164-E168 HydrophobicContact CE-CB 3.96Å; M164-E168 HydrophobicContact CG-CB 4.06Å; M164-I169 HydrophobicContact CE-CB 4.4Å; M164-I169 HydrophobicContact CE-CG1 3.59Å; M164-I169 HydrophobicContact CG-CG1 4.25Å; M164-I169 HydrophobicContact SD-CD1 4.38Å; M164-I169 HydrophobicContact SD-CG1 3.72Å; M164-I172 HydrophobicContact CE-CD1 3.3Å; M164-L214 WeakPolarHBondContact O-CB 3.32Å; M164-L214 WeakPolarHBondContact O-CG 3.45Å; M164-L214 PolarHBondContact O-N 3.15Å
165	T	98.6	Very high	98.1	Very high	16 Å²	16	37 Å²	37	10%	0.098	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-83.8	152.2	175.2	61.1	0	0	0	0	111.7	D167 E168 I169 L211 R212 P213	T165-D167 PolarHBondContact O-N 2.91Å; T165-E168 PolarHBondContact N-OE2 3.08Å; T165-E168 WeakPolarHBondContact O-CB 3.41Å; T165-E168 PolarHBondContact O-N 3.3Å; T165-E168 VanDerWaalsContact O-N 3.11Å; T165-E168 WeakPolarHBondContact OG1-CB 3.43Å; T165-E168 WeakPolarHBondContact OG1-CG 3.3Å; T165-E168 PolarHBondContact OG1-N 2.96Å; T165-E168 VanDerWaalsContact OG1-N 3.17Å; T165-E168 PolarHBondContact OG1-OE2 3.48Å; T165-I169 PolarHBondContact O-N 3.46Å; T165-L211 WeakPolarHBondContact CG2-O 3.29Å; T165-R212 WeakPolarHBondContact CA-O 3.32Å; T165-P213 HydrophobicContact CG2-CG 4.38Å
166	T	98.5	Very high	98.1	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-29.5	173.6	49.8	0	0	0	0	111.9	E168 I169 D170 T198 V200 D210 L214	T166-E168 VanDerWaalsContact C-N 3.34Å; T166-E168 PolarHBondContact O-N 3.03Å; T166-I169 WeakPolarHBondContact O-CB 3.41Å; T166-I169 PolarHBondContact O-N 2.64Å; T166-D170 PolarHBondContact O-N 3.23Å; T166-T198 VanDerWaalsContact CB-OG1 3.23Å; T166-T198 WeakPolarHBondContact CB-OG1 3.24Å; T166-T198 HydrophobicContact CG2-CG2 4.07Å; T166-T198 WeakPolarHBondContact CG2-OG1 3.24Å; T166-V200 HydrophobicContact CG2-CG2 4.16Å; T166-D210 PolarHBondContact N-O 2.66Å; T166-D210 PolarHBondContact OG1-N 3.23Å; T166-D210 PolarHBondContact OG1-O 3.43Å; T166-D210 VanDerWaalsContact OG1-O 3.05Å; T166-D210 PolarHBondContact OG1-OD1 3.03Å; T166-L214 HydrophobicContact CG2-CD2 4.17Å
167	D	98.6	Very high	98.2	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.059	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-32.4	170.6	-168.1	87.1	0	0	0	113.6	S97 R100 T165 R171 K194 D210 L211	S97-D167 VanDerWaalsContact CB-OD1 3.29Å; S97-D167 WeakPolarHBondContact CB-OD1 3.3Å; S97-D167 WeakPolarHBondContact CB-OD2 3.41Å; S97-D167 PolarHBondContact N-OD1 2.93Å; S97-D167 PolarHBondContact OG-OD1 3.38Å; S97-D167 PolarHBondContact OG-OD2 2.84Å; R100-D167 IonicContact NH2-OD2 3.84Å; R100-D167 PolarHBondContact NH2-OD2 2.98Å; T165-D167 PolarHBondContact O-N 2.91Å; D167-R171 PolarHBondContact O-N 3.34Å; D167-K194 IonicContact OD1-NZ 2.7Å; D167-K194 PolarHBondContact OD1-NZ 3.21Å; D167-D210 VanDerWaalsContact CB-O 3.28Å; D167-D210 WeakPolarHBondContact CB-O 3.18Å; D167-D210 PolarHBondContact N-O 3.21Å; D167-L211 HydrophobicContact CB-CD2 4.18Å
168	E	98.5	Very high	98.3	Very high	81 Å²	81	34.9 Å²	34.9	38%	0.379	20%	0.199	S	C	.	.	H	α-helix	trans	-70.3	-35.2	171.8	-78.2	166.5	133.7	0	0	112	M164 T165 T166 R171 I172	M164-E168 HydrophobicContact CE-CB 3.96Å; M164-E168 HydrophobicContact CG-CB 4.06Å; T165-E168 PolarHBondContact N-OE2 3.08Å; T165-E168 WeakPolarHBondContact O-CB 3.41Å; T165-E168 PolarHBondContact O-N 3.3Å; T165-E168 VanDerWaalsContact O-N 3.11Å; T165-E168 WeakPolarHBondContact OG1-CB 3.43Å; T165-E168 WeakPolarHBondContact OG1-CG 3.3Å; T165-E168 PolarHBondContact OG1-N 2.96Å; T165-E168 VanDerWaalsContact OG1-N 3.17Å; T165-E168 PolarHBondContact OG1-OE2 3.48Å; T166-E168 VanDerWaalsContact C-N 3.34Å; T166-E168 PolarHBondContact O-N 3.03Å; E168-R171 WeakPolarHBondContact O-CB 3.22Å; E168-R171 PolarHBondContact O-N 3.39Å; E168-I172 PolarHBondContact O-N 3.05Å
169	I	98.7	Very high	98.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-49.1	172.9	-61.7	170.6	0	0	0	109.4	A156 I160 M164 T165 T166 R171 I172 V173 T198 L214 L222	A156-I169 HydrophobicContact CB-CG2 4.37Å; I160-I169 HydrophobicContact CD1-CD1 4.48Å; I160-I169 HydrophobicContact CG1-CD1 3.98Å; I160-I169 HydrophobicContact CG1-CG1 4.45Å; M164-I169 HydrophobicContact CE-CB 4.4Å; M164-I169 HydrophobicContact CE-CG1 3.59Å; M164-I169 HydrophobicContact CG-CG1 4.25Å; M164-I169 HydrophobicContact SD-CD1 4.38Å; M164-I169 HydrophobicContact SD-CG1 3.72Å; T165-I169 PolarHBondContact O-N 3.46Å; T166-I169 WeakPolarHBondContact O-CB 3.41Å; T166-I169 PolarHBondContact O-N 2.64Å; I169-R171 VanDerWaalsContact C-N 3.25Å; I169-R171 PolarHBondContact O-N 2.89Å; I169-I172 PolarHBondContact O-N 2.85Å; I169-I172 VanDerWaalsContact O-N 3.09Å; I169-V173 WeakPolarHBondContact O-CG2 3.42Å; I169-V173 PolarHBondContact O-N 3.06Å; I169-T198 HydrophobicContact CG2-CG2 4.34Å; I169-L214 HydrophobicContact CD1-CD1 3.87Å; I169-L222 HydrophobicContact CG2-CD1 3.73Å; I169-L222 HydrophobicContact CG2-CD2 3.98Å; I169-L222 HydrophobicContact CG2-CG 4.46Å
170	D	98.9	Very high	98.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-55	-39.5	173.8	168.1	80.4	0	0	0	112.6	R100 T166 V173 H174 S195 P209	R100-D170 IonicContact NE-OD2 3.28Å; R100-D170 PolarHBondContact NE-OD2 3.28Å; T166-D170 PolarHBondContact O-N 3.23Å; D170-V173 PolarHBondContact O-N 2.75Å; D170-H174 VanDerWaalsContact O-CB 3.25Å; D170-H174 WeakPolarHBondContact O-CB 3.28Å; D170-H174 PolarHBondContact O-N 3.28Å; D170-S195 WeakPolarHBondContact OD1-CA 3.45Å; D170-S195 VanDerWaalsContact OD1-CB 3.23Å; D170-S195 WeakPolarHBondContact OD1-CB 3.45Å; D170-S195 PolarHBondContact OD1-N 3.19Å; D170-S195 PolarHBondContact OD1-OG 3.24Å; D170-P209 HydrophobicContact CB-CB 3.59Å; D170-P209 HydrophobicContact CB-CG 3.8Å
171	R	98.6	Very high	98.6	Very high	83 Å²	83	40.3 Å²	40.3	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-49.5	175.4	-175.2	-178.4	55.7	69.2	7.5	111.7	D167 E168 I169 V173 H174 E175	D167-R171 PolarHBondContact O-N 3.34Å; E168-R171 WeakPolarHBondContact O-CB 3.22Å; E168-R171 PolarHBondContact O-N 3.39Å; I169-R171 VanDerWaalsContact C-N 3.25Å; I169-R171 PolarHBondContact O-N 2.89Å; R171-V173 VanDerWaalsContact C-N 3.35Å; R171-H174 PolarHBondContact O-N 3.19Å; R171-E175 HydrophobicContact CG-CG 4.34Å; R171-E175 VanDerWaalsContact CG-OE1 3.27Å; R171-E175 WeakPolarHBondContact CG-OE1 3.42Å; R171-E175 IonicContact CZ-OE2 3.36Å; R171-E175 IonicContact NH1-OE1 2.69Å; R171-E175 IonicContact NH1-OE2 2.98Å; R171-E175 PolarHBondContact NH1-OE2 2.83Å; R171-E175 WeakPolarHBondContact O-CB 3.18Å; R171-E175 WeakPolarHBondContact O-CG 3.29Å; R171-E175 PolarHBondContact O-N 2.84Å
172	I	98.7	Very high	98.6	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.087	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-47.1	-179.2	-68.2	155.8	0	0	0	109.4	E155 A156 Q159 M164 E168 I169 H174 E175 A176	E155-I172 HydrophobicContact CG-CG2 4.33Å; A156-I172 HydrophobicContact CB-CG2 4.22Å; Q159-I172 HydrophobicContact CB-CD1 3.94Å; Q159-I172 HydrophobicContact CG-CD1 3.88Å; M164-I172 HydrophobicContact CE-CD1 3.3Å; E168-I172 PolarHBondContact O-N 3.05Å; I169-I172 PolarHBondContact O-N 2.85Å; I169-I172 VanDerWaalsContact O-N 3.09Å; I172-H174 VanDerWaalsContact C-N 3.33Å; I172-H174 PolarHBondContact O-N 2.79Å; I172-E175 PolarHBondContact O-N 3.33Å; I172-A176 WeakPolarHBondContact O-CB 3.46Å; I172-A176 PolarHBondContact O-N 2.97Å
173	V	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-48.6	176	171.3	0	0	0	0	111.2	V152 A156 I169 D170 R171 S177 C196 L222 I224	V152-V173 HydrophobicContact CG1-CB 4.29Å; V152-V173 HydrophobicContact CG1-CG1 3.87Å; V152-V173 HydrophobicContact CG1-CG2 4.43Å; A156-V173 HydrophobicContact CB-CG2 3.79Å; I169-V173 WeakPolarHBondContact O-CG2 3.42Å; I169-V173 PolarHBondContact O-N 3.06Å; D170-V173 PolarHBondContact O-N 2.75Å; R171-V173 VanDerWaalsContact C-N 3.35Å; V173-S177 VanDerWaalsContact O-CB 3.3Å; V173-S177 WeakPolarHBondContact O-CB 3.46Å; V173-S177 PolarHBondContact O-N 2.87Å; V173-S177 PolarHBondContact O-OG 3.24Å; V173-C196 HydrophobicContact CB-CB 4.48Å; V173-C196 HydrophobicContact CG1-CB 4.04Å; V173-C196 HydrophobicContact CG2-CB 4.37Å; V173-L222 HydrophobicContact CG2-CD1 4.31Å; V173-L222 HydrophobicContact CG2-CD2 4.44Å; V173-I224 HydrophobicContact CB-CD1 4.12Å; V173-I224 HydrophobicContact CG1-CD1 3.55Å; V173-I224 HydrophobicContact CG2-CD1 3.41Å; V173-I224 VanDerWaalsContact CG2-CD1 3.41Å
174	H	98.8	Very high	98.6	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-48.6	-179.8	-173.7	91.2	0	0	0	112.1	R100 T101 D170 R171 I172 S177 V178 S195	R100-H174 VanDerWaalsContact CB-CE1 3.41Å; R100-H174 WeakPolarHBondContact CB-CE1 3.19Å; R100-H174 WeakPolarHBondContact CB-NE2 3.29Å; T101-H174 PolarHBondContact O-NE2 2.9Å; D170-H174 VanDerWaalsContact O-CB 3.25Å; D170-H174 WeakPolarHBondContact O-CB 3.28Å; D170-H174 PolarHBondContact O-N 3.28Å; R171-H174 PolarHBondContact O-N 3.19Å; I172-H174 VanDerWaalsContact C-N 3.33Å; I172-H174 PolarHBondContact O-N 2.79Å; H174-S177 PolarHBondContact O-N 2.76Å; H174-V178 VanDerWaalsContact O-CG2 3.32Å; H174-V178 WeakPolarHBondContact O-CG2 3.23Å; H174-V178 PolarHBondContact O-N 2.94Å; H174-S195 PolarHBondContact ND1-OG 3.24Å
175	E	98.7	Very high	98.7	Very high	77 Å²	77	30.8 Å²	30.8	36%	0.36	15%	0.145	S	C	.	.	H	α-helix	trans	-63.9	-48.3	-179.7	-72.5	170.1	179.7	0	0	110.6	R171 I172 S177 V178 E179	R171-E175 HydrophobicContact CG-CG 4.34Å; R171-E175 VanDerWaalsContact CG-OE1 3.27Å; R171-E175 WeakPolarHBondContact CG-OE1 3.42Å; R171-E175 IonicContact CZ-OE2 3.36Å; R171-E175 IonicContact NH1-OE1 2.69Å; R171-E175 IonicContact NH1-OE2 2.98Å; R171-E175 PolarHBondContact NH1-OE2 2.83Å; R171-E175 WeakPolarHBondContact O-CB 3.18Å; R171-E175 WeakPolarHBondContact O-CG 3.29Å; R171-E175 PolarHBondContact O-N 2.84Å; I172-E175 PolarHBondContact O-N 3.33Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 3.28Å; E175-V178 PolarHBondContact O-N 3.01Å; E175-E179 WeakPolarHBondContact O-CB 3.31Å; E175-E179 VanDerWaalsContact O-CG 3.31Å; E175-E179 WeakPolarHBondContact O-CG 3.4Å; E175-E179 PolarHBondContact O-N 3.27Å
176	A	98.7	Very high	98.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-34.6	177.6	0	0	0	0	0	113.2	V152 I172 R180	V152-A176 HydrophobicContact CB-CB 4.5Å; V152-A176 HydrophobicContact CG1-CB 4.17Å; V152-A176 HydrophobicContact CG2-CB 3.99Å; I172-A176 WeakPolarHBondContact O-CB 3.46Å; I172-A176 PolarHBondContact O-N 2.97Å; A176-R180 WeakPolarHBondContact O-CG 3.41Å; A176-R180 PolarHBondContact O-N 3.06Å; A176-R180 PolarHBondContact O-NH1 3.15Å
177	S	98.8	Very high	98.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-48.7	173.8	-58.2	0	0	0	0	111.3	V173 H174 E175 E179 R180 D181 C182 L226	V173-S177 VanDerWaalsContact O-CB 3.3Å; V173-S177 WeakPolarHBondContact O-CB 3.46Å; V173-S177 PolarHBondContact O-N 2.87Å; V173-S177 PolarHBondContact O-OG 3.24Å; H174-S177 PolarHBondContact O-N 2.76Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 3.28Å; S177-E179 VanDerWaalsContact C-N 3.32Å; S177-E179 PolarHBondContact O-N 3.39Å; S177-R180 CarbonylContact O-C 3.27Å; S177-R180 PolarHBondContact O-N 3.27Å; S177-R180 VanDerWaalsContact O-N 3.14Å; S177-D181 PolarHBondContact O-N 2.71Å; S177-C182 CarbonylContact C-O 3.48Å; S177-C182 WeakPolarHBondContact O-CB 3.44Å; S177-C182 PolarHBondContact O-N 3.15Å; S177-L226 WeakPolarHBondContact OG-CD2 3.5Å
178	V	98.7	Very high	98.7	Very high	33 Å²	33	30 Å²	30	20%	0.2	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-39	-179.9	168	0	0	0	0	111.1	V102 P103 I106 H174 E175 R180 D181	V102-V178 HydrophobicContact CG1-CG2 4.37Å; P103-V178 HydrophobicContact CG-CG1 3.81Å; I106-V178 HydrophobicContact CD1-CB 4.15Å; I106-V178 HydrophobicContact CD1-CG1 3.92Å; I106-V178 HydrophobicContact CD1-CG2 4.15Å; H174-V178 VanDerWaalsContact O-CG2 3.32Å; H174-V178 WeakPolarHBondContact O-CG2 3.23Å; H174-V178 PolarHBondContact O-N 2.94Å; E175-V178 PolarHBondContact O-N 3.01Å; V178-R180 PolarHBondContact O-N 3.48Å; V178-D181 PolarHBondContact O-N 2.73Å
179	E	98.5	Very high	98.7	Very high	141 Å²	141	27.5 Å²	27.5	66%	0.659	13%	0.129	S	C	*	.	H	α-helix	trans	-63.1	-24	176.2	-74.8	177	-176.4	0	0	113.4	E175 S177	E175-E179 WeakPolarHBondContact O-CB 3.31Å; E175-E179 VanDerWaalsContact O-CG 3.31Å; E175-E179 WeakPolarHBondContact O-CG 3.4Å; E175-E179 PolarHBondContact O-N 3.27Å; S177-E179 VanDerWaalsContact C-N 3.32Å; S177-E179 PolarHBondContact O-N 3.39Å
180	R	98.6	Very high	98.6	Very high	57 Å²	57	31.2 Å²	31.2	22%	0.215	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	16.2	178.3	-71.2	172.5	178.8	79.5	-8.5	113.3	L148 E151 E155 A176 S177 V178 C182	L148-R180 HydrophobicContact CD2-CB 4.23Å; L148-R180 HydrophobicContact CD2-CG 4.27Å; E151-R180 IonicContact OE2-NE 2.79Å; E151-R180 PolarHBondContact OE2-NE 3.33Å; E155-R180 IonicContact OE2-CZ 3.17Å; E155-R180 IonicContact OE2-NH1 2.87Å; E155-R180 PolarHBondContact OE2-NH1 2.98Å; E155-R180 IonicContact OE2-NH2 3.36Å; E155-R180 PolarHBondContact OE2-NH2 2.77Å; A176-R180 WeakPolarHBondContact O-CG 3.41Å; A176-R180 PolarHBondContact O-N 3.06Å; A176-R180 PolarHBondContact O-NH1 3.15Å; S177-R180 CarbonylContact O-C 3.27Å; S177-R180 PolarHBondContact O-N 3.27Å; S177-R180 VanDerWaalsContact O-N 3.14Å; V178-R180 PolarHBondContact O-N 3.48Å; R180-C182 PolarHBondContact O-N 2.87Å; R180-C182 PolarHBondContact O-SG 2.77Å
181	D	98.5	Very high	98.5	Very high	109 Å²	109	35.2 Å²	35.2	58%	0.583	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.4	-175.6	-64.9	-52.9	0	0	0	112.6	S177 V178 H228	S177-D181 PolarHBondContact O-N 2.71Å; V178-D181 PolarHBondContact O-N 2.73Å; D181-H228 PolarHBondContact O-ND1 2.74Å
182	C	98.7	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.			trans	-111.1	147.2	178.6	-63.6	0	0	0	0	111	S177 R180 L226 Y227	S177-C182 CarbonylContact C-O 3.48Å; S177-C182 WeakPolarHBondContact O-CB 3.44Å; S177-C182 PolarHBondContact O-N 3.15Å; R180-C182 PolarHBondContact O-N 2.87Å; R180-C182 PolarHBondContact O-SG 2.77Å; C182-L226 HydrophobicContact CB-CB 4.16Å; C182-L226 HydrophobicContact CB-CD1 4Å; C182-L226 HydrophobicContact CB-CD2 4.36Å; C182-L226 HydrophobicContact CB-CG 4.42Å; C182-Y227 WeakPolarHBondContact CA-O 3.46Å
183	Y	98.8	Very high	98.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.2	166.7	-170.9	-82.8	0	0	0	109.3	V102 R108 P109 Y111 V112 S185 L187 Y227	V102-Y183 HydrophobicContact CB-CD2 4.14Å; V102-Y183 HydrophobicContact CB-CE2 4.03Å; V102-Y183 HydrophobicContact CG1-CD2 3.88Å; V102-Y183 HydrophobicContact CG1-CE2 4.28Å; V102-Y183 HydrophobicContact CG2-CD2 3.98Å; V102-Y183 HydrophobicContact CG2-CE2 3.77Å; R108-Y183 HydrophobicContact CB-CD2 4.5Å; R108-Y183 HydrophobicContact CG-CD2 3.81Å; R108-Y183 HydrophobicContact CG-CE2 3.91Å; P109-Y183 HydrophobicContact CG-CD1 3.89Å; P109-Y183 HydrophobicContact CG-CE1 4.19Å; P109-Y183 HydrophobicContact CG-CG 4.46Å; Y111-Y183 HydrophobicContact CE2-CE1 4.35Å; V112-Y183 HydrophobicContact CG1-CE2 4.27Å; V112-Y183 HydrophobicContact CG2-CE1 3.71Å; V112-Y183 HydrophobicContact CG2-CE2 3.89Å; V112-Y183 VanDerWaalsContact CG2-OH 3.28Å; V112-Y183 WeakPolarHBondContact CG2-OH 3.45Å; Y183-S185 PolarHBondContact O-N 3.24Å; Y183-S185 VanDerWaalsContact O-N 3.11Å; Y183-L187 HydrophobicContact CE1-CB 4.06Å; Y183-L187 WeakPolarHBondContact CE1-O 3.3Å; Y183-L187 PolarHBondContact OH-O 2.92Å; Y183-Y227 PolarHBondContact N-O 3.35Å; Y183-Y227 PolarHBondContact O-N 2.87Å
184	P	98.8	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	106.6	173.6	27.3	-31.9	0	0	0	109.8	V102 P186 L187	V102-P184 HydrophobicContact CG2-CG 4.33Å; P184-P186 VanDerWaalsContact C-CD 3.44Å; P184-L187 HydrophobicContact CG-CB 4.04Å; P184-L187 HydrophobicContact CG-CD2 4.06Å; P184-L187 VanDerWaalsContact O-CB 3.22Å; P184-L187 WeakPolarHBondContact O-CB 3.39Å; P184-L187 PolarHBondContact O-N 3.3Å
185	S	98.8	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.4	-167.5	-41.3	0	0	0	0	114.4	Y111 Y183 L187 T225 L226 Y227 H232	Y111-S185 WeakPolarHBondContact CE2-O 3.26Å; Y111-S185 VanDerWaalsContact CZ-O 3.31Å; Y111-S185 VanDerWaalsContact OH-C 3.32Å; Y111-S185 WeakPolarHBondContact OH-CA 3.2Å; Y111-S185 WeakPolarHBondContact OH-CB 3.35Å; Y111-S185 PolarHBondContact OH-O 2.68Å; Y183-S185 PolarHBondContact O-N 3.24Å; Y183-S185 VanDerWaalsContact O-N 3.11Å; S185-L187 PolarHBondContact O-N 3.45Å; S185-L187 VanDerWaalsContact O-N 3.08Å; S185-T225 PolarHBondContact N-O 3.12Å; S185-T225 WeakPolarHBondContact OG-CG2 3.37Å; S185-T225 PolarHBondContact OG-O 3.35Å; S185-T225 VanDerWaalsContact OG-O 3.12Å; S185-L226 VanDerWaalsContact OG-C 3.28Å; S185-Y227 PolarHBondContact OG-N 2.64Å; S185-H232 WeakPolarHBondContact CB-ND1 3.38Å; S185-H232 PolarHBondContact OG-ND1 2.87Å
186	P	98.8	Very high	98.5	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.045	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.9	176.5	-28	37.7	0	0	0	113.2	P184 G188 Y189 F192 K194 F303	P184-P186 VanDerWaalsContact C-CD 3.44Å; P186-G188 PolarHBondContact O-N 2.91Å; P186-Y189 PolarHBondContact O-N 2.81Å; P186-Y189 VanDerWaalsContact O-N 3.08Å; P186-F192 HydrophobicContact CB-CD1 3.71Å; P186-F192 HydrophobicContact CB-CE1 3.88Å; P186-F192 WeakPolarHBondContact O-CB 3.48Å; P186-F192 WeakPolarHBondContact O-CD1 3.29Å; P186-K194 CarbonylContact C-O 3.58Å; P186-F303 HydrophobicContact CG-CZ 4.4Å
187	L	98.5	Very high	98.5	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	107.1	-171.9	-171.8	64	0	0	0	112.3	R99 V102 Y183 P184 S185 Y189 K194	R99-L187 HydrophobicContact CG-CD1 3.89Å; V102-L187 HydrophobicContact CG2-CD2 3.7Å; Y183-L187 HydrophobicContact CE1-CB 4.06Å; Y183-L187 WeakPolarHBondContact CE1-O 3.3Å; Y183-L187 PolarHBondContact OH-O 2.92Å; P184-L187 HydrophobicContact CG-CB 4.04Å; P184-L187 HydrophobicContact CG-CD2 4.06Å; P184-L187 VanDerWaalsContact O-CB 3.22Å; P184-L187 WeakPolarHBondContact O-CB 3.39Å; P184-L187 PolarHBondContact O-N 3.3Å; S185-L187 PolarHBondContact O-N 3.45Å; S185-L187 VanDerWaalsContact O-N 3.08Å; L187-Y189 VanDerWaalsContact C-N 3.27Å; L187-Y189 PolarHBondContact O-N 3.11Å; L187-K194 WeakPolarHBondContact CA-O 3.46Å; L187-K194 PolarHBondContact N-O 3.49Å
188	G	97.7	Very high	98.5	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-4.6	-179.5	0	0	0	0	0	115.1	R99 G117 P186 H190 T191 F192	R99-G188 VanDerWaalsContact NH2-CA 3.26Å; G117-G188 WeakPolarHBondContact CA-O 3.28Å; P186-G188 PolarHBondContact O-N 2.91Å; G188-H190 PolarHBondContact O-N 2.94Å; G188-T191 PolarHBondContact O-N 3.3Å; G188-F192 WeakPolarHBondContact CA-O 3.43Å; G188-F192 PolarHBondContact N-O 2.78Å
189	Y	98.5	Very high	98.5	Very high	28 Å²	28	27.5 Å²	27.5	11%	0.11	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-62.7	120	172.8	-179.4	-111.8	0	0	0	109.6	Y111 E122 P186 L187 T191 F192 F303 H304 W347	Y111-Y189 AromaticContact CD1-CD2 3.81Å; Y111-Y189 HydrophobicContact CD1-CD2 3.81Å; Y111-Y189 HydrophobicContact CD1-CE2 4.45Å; Y111-Y189 HydrophobicContact CD2-CD2 4.33Å; Y111-Y189 AromaticContact CE1-CD2 3.85Å; Y111-Y189 HydrophobicContact CE1-CD2 3.85Å; Y111-Y189 HydrophobicContact CE2-CD2 4.42Å; Y111-Y189 HydrophobicContact CG-CD2 4.04Å; E122-Y189 WeakPolarHBondContact OE2-CE2 3.34Å; E122-Y189 PolarHBondContact OE2-OH 2.82Å; P186-Y189 PolarHBondContact O-N 2.81Å; P186-Y189 VanDerWaalsContact O-N 3.08Å; L187-Y189 VanDerWaalsContact C-N 3.27Å; L187-Y189 PolarHBondContact O-N 3.11Å; Y189-T191 PolarHBondContact O-N 3.03Å; Y189-F192 VanDerWaalsContact O-CB 3.24Å; Y189-F192 WeakPolarHBondContact O-CB 3.14Å; Y189-F192 PolarHBondContact O-N 2.84Å; Y189-F303 HydrophobicContact CD1-CD1 4.07Å; Y189-F303 AromaticContact CD1-CE1 3.96Å; Y189-F303 HydrophobicContact CD1-CE1 3.96Å; Y189-F303 AromaticContact CD2-CD1 3.97Å; Y189-F303 HydrophobicContact CD2-CD1 3.97Å; Y189-F303 HydrophobicContact CE1-CD1 4.2Å; Y189-F303 HydrophobicContact CE1-CE1 4.33Å; Y189-F303 HydrophobicContact CE2-CD1 4.13Å; Y189-F303 AromaticContact CG-CD1 3.94Å; Y189-F303 HydrophobicContact CG-CD1 3.94Å; Y189-F303 HydrophobicContact CG-CE1 4.08Å; Y189-H304 AromaticContact CE1-CE1 3.73Å; Y189-H304 AromaticContact CE1-ND1 3.77Å; Y189-H304 AromaticContact CZ-CE1 3.96Å; Y189-H304 AromaticContact CZ-ND1 3.5Å; Y189-H304 PolarHBondContact OH-ND1 3.01Å; Y189-W347 HydrophobicContact CD1-CH2 4.35Å; Y189-W347 WeakPolarHBondContact O-CH2 3.49Å; Y189-W347 WeakPolarHBondContact O-CZ2 3.41Å
190	H	97.8	Very high	98.5	Very high	80 Å²	80	21 Å²	21	37%	0.37	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	45.4	32.6	-168.3	-74.6	-76	0	0	0	114.7	G117 G188 W347	G117-H190 WeakPolarHBondContact O-CA 3.43Å; G117-H190 PolarHBondContact O-N 2.86Å; G188-H190 PolarHBondContact O-N 2.94Å; H190-W347 HydrophobicContact CB-CH2 3.74Å; H190-W347 HydrophobicContact CB-CZ2 3.69Å; H190-W347 WeakPolarHBondContact O-CZ2 3.31Å
191	T	97.1	Very high	98.5	Very high	85 Å²	85	19.3 Å²	19.3	52%	0.521	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	70.9	16.3	-174.5	72.7	0	0	0	0	116.3	R116 G188 Y189	R116-T191 WeakPolarHBondContact O-CG2 3.31Å; G188-T191 PolarHBondContact O-N 3.3Å; Y189-T191 PolarHBondContact O-N 3.03Å
192	F	98.4	Very high	98.5	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.013	8%	0.079	C	C	.	.			trans	-56.7	132.2	170.9	-173.5	-100	0	0	0	110.7	P186 G188 Y189 K194 C196 I208 W347	P186-F192 HydrophobicContact CB-CD1 3.71Å; P186-F192 HydrophobicContact CB-CE1 3.88Å; P186-F192 WeakPolarHBondContact O-CB 3.48Å; P186-F192 WeakPolarHBondContact O-CD1 3.29Å; G188-F192 WeakPolarHBondContact CA-O 3.43Å; G188-F192 PolarHBondContact N-O 2.78Å; Y189-F192 VanDerWaalsContact O-CB 3.24Å; Y189-F192 WeakPolarHBondContact O-CB 3.14Å; Y189-F192 PolarHBondContact O-N 2.84Å; F192-K194 HydrophobicContact CD1-CB 4.44Å; F192-K194 VanDerWaalsContact CD1-O 3.22Å; F192-K194 WeakPolarHBondContact CD1-O 3.37Å; F192-K194 HydrophobicContact CE1-CB 3.75Å; F192-K194 WeakPolarHBondContact CE1-O 3.29Å; F192-K194 HydrophobicContact CZ-CB 4.31Å; F192-C196 VanDerWaalsContact CE1-O 3.29Å; F192-C196 WeakPolarHBondContact CE1-O 3.22Å; F192-C196 WeakPolarHBondContact CZ-O 3.5Å; F192-I208 HydrophobicContact CD2-CG1 4.32Å; F192-I208 HydrophobicContact CE2-CG1 3.66Å; F192-I208 HydrophobicContact CZ-CG1 4.28Å; F192-W347 HydrophobicContact CB-CD2 4.39Å; F192-W347 HydrophobicContact CB-CH2 3.9Å; F192-W347 HydrophobicContact CB-CZ2 3.56Å; F192-W347 HydrophobicContact CB-CZ3 4.46Å; F192-W347 HydrophobicContact CD2-CB 4.37Å; F192-W347 AromaticContact CD2-CD2 3.55Å; F192-W347 HydrophobicContact CD2-CD2 3.55Å; F192-W347 AromaticContact CD2-CE2 3.82Å; F192-W347 AromaticContact CD2-CE3 3.81Å; F192-W347 HydrophobicContact CD2-CE3 3.81Å; F192-W347 AromaticContact CD2-CG 3.8Å; F192-W347 HydrophobicContact CD2-CG 3.8Å; F192-W347 HydrophobicContact CD2-CH2 4.47Å; F192-W347 HydrophobicContact CD2-CZ2 4.29Å; F192-W347 HydrophobicContact CD2-CZ3 4.26Å; F192-W347 HydrophobicContact CE2-CB 4.45Å; F192-W347 HydrophobicContact CE2-CD2 4.36Å; F192-W347 HydrophobicContact CE2-CE3 4.47Å; F192-W347 HydrophobicContact CE2-CG 4.34Å; F192-W347 HydrophobicContact CG-CD2 4.45Å; F192-W347 HydrophobicContact CG-CZ2 4.42Å
193	P	98	Very high	98.5	Very high	32 Å²	32	14.6 Å²	14.6	21%	0.208	8%	0.081	C	C	.	.			trans	-89.3	-9.8	-163.2	32.1	-34.4	0	0	0	115.2	I208	P193-I208 HydrophobicContact CG-CD1 4.05Å; P193-I208 HydrophobicContact CG-CG1 4.35Å; P193-I208 HydrophobicContact CG-CG2 3.64Å
194	K	98.7	Very high	98.6	Very high	3 Å²	3	14.5 Å²	14.5	1%	0.013	8%	0.08	C	C	.	.	S	Bend	trans	-125.1	173.9	-169.8	-63.2	-67.8	176.7	173.9	0	111.9	S97 D167 P186 L187 F192 I208 P209	S97-K194 PolarHBondContact O-NZ 3.03Å; S97-K194 PolarHBondContact OG-NZ 2.91Å; S97-K194 VanDerWaalsContact OG-NZ 3.1Å; D167-K194 IonicContact OD1-NZ 2.7Å; D167-K194 PolarHBondContact OD1-NZ 3.21Å; P186-K194 CarbonylContact C-O 3.58Å; L187-K194 WeakPolarHBondContact CA-O 3.46Å; L187-K194 PolarHBondContact N-O 3.49Å; F192-K194 HydrophobicContact CD1-CB 4.44Å; F192-K194 VanDerWaalsContact CD1-O 3.22Å; F192-K194 WeakPolarHBondContact CD1-O 3.37Å; F192-K194 HydrophobicContact CE1-CB 3.75Å; F192-K194 WeakPolarHBondContact CE1-O 3.29Å; F192-K194 HydrophobicContact CZ-CB 4.31Å; K194-I208 HydrophobicContact CG-CG2 3.79Å; K194-P209 HydrophobicContact CB-CB 4.29Å; K194-P209 HydrophobicContact CB-CG 3.83Å; K194-P209 HydrophobicContact CD-CB 4.18Å; K194-P209 VanDerWaalsContact CE-O 3.28Å; K194-P209 WeakPolarHBondContact CE-O 3.5Å; K194-P209 HydrophobicContact CG-CB 3.94Å; K194-P209 HydrophobicContact CG-CG 4Å
195	S	98.8	Very high	98.6	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	8%	0.081	C	C	.	.	S	Bend	trans	-94.7	-13.8	-171.9	-46.4	0	0	0	0	113.1	D170 H174	D170-S195 WeakPolarHBondContact OD1-CA 3.45Å; D170-S195 VanDerWaalsContact OD1-CB 3.23Å; D170-S195 WeakPolarHBondContact OD1-CB 3.45Å; D170-S195 PolarHBondContact OD1-N 3.19Å; D170-S195 PolarHBondContact OD1-OG 3.24Å; H174-S195 PolarHBondContact ND1-OG 3.24Å
196	C	98.9	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-147.2	171.2	173.6	58.4	0	0	0	0	110.5	V173 F192 P209 L222 D223 I224	V173-C196 HydrophobicContact CB-CB 4.48Å; V173-C196 HydrophobicContact CG1-CB 4.04Å; V173-C196 HydrophobicContact CG2-CB 4.37Å; F192-C196 VanDerWaalsContact CE1-O 3.29Å; F192-C196 WeakPolarHBondContact CE1-O 3.22Å; F192-C196 WeakPolarHBondContact CZ-O 3.5Å; C196-P209 VanDerWaalsContact O-CD 3.3Å; C196-P209 WeakPolarHBondContact O-CD 3.18Å; C196-P209 WeakPolarHBondContact O-CG 3.48Å; C196-L222 HydrophobicContact CB-CD1 3.97Å; C196-D223 WeakPolarHBondContact CA-O 3.39Å; C196-D223 WeakPolarHBondContact CB-O 3.41Å; C196-I224 HydrophobicContact CB-CD1 3.69Å
197	C	98.9	Very high	98.5	Very high	8 Å²	8	16.3 Å²	16.3	5%	0.054	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.8	165.6	-45.9	0	0	0	0	110.1	G207 D223	C197-G207 WeakPolarHBondContact CA-O 3.46Å; C197-D223 HydrophobicContact CB-CB 3.95Å; C197-D223 PolarHBondContact N-O 3.37Å; C197-D223 PolarHBondContact O-N 2.79Å
198	T	98.8	Very high	98.6	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.037	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	104.8	174.2	52.1	0	0	0	0	109.4	T166 I169 G207 P209 N221 L222	T166-T198 VanDerWaalsContact CB-OG1 3.23Å; T166-T198 WeakPolarHBondContact CB-OG1 3.24Å; T166-T198 HydrophobicContact CG2-CG2 4.07Å; T166-T198 WeakPolarHBondContact CG2-OG1 3.24Å; I169-T198 HydrophobicContact CG2-CG2 4.34Å; T198-G207 PolarHBondContact N-O 3.22Å; T198-G207 CarbonylContact O-C 3.53Å; T198-G207 WeakPolarHBondContact O-CA 3.46Å; T198-P209 HydrophobicContact CG2-CG 4.09Å; T198-P209 WeakPolarHBondContact OG1-CA 3.41Å; T198-N221 CarbonylContact C-O 3.49Å; T198-N221 VanDerWaalsContact CA-O 3.31Å; T198-N221 WeakPolarHBondContact CA-O 3.47Å; T198-L222 HydrophobicContact CG2-CD1 3.94Å
199	S	98.9	Very high	98.6	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.028	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	100.1	-170.7	-53.7	0	0	0	0	109.9	C205 H206 G207 V220 N221	S199-C205 WeakPolarHBondContact OG-CA 3.37Å; S199-H206 PolarHBondContact OG-N 3.17Å; S199-G207 PolarHBondContact OG-N 3.41Å; S199-V220 WeakPolarHBondContact O-CA 3.45Å; S199-N221 PolarHBondContact N-O 3.21Å; S199-N221 PolarHBondContact O-N 3.03Å
200	V	98.9	Very high	98.6	Very high	6 Å²	6	16 Å²	16	4%	0.036	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.8	-176.5	-176.8	0	0	0	0	110.8	L91 T166 E202 V203 L214 D218 I219 V220	L91-V200 HydrophobicContact CD1-CB 4.44Å; L91-V200 HydrophobicContact CD1-CG1 4.29Å; L91-V200 HydrophobicContact CD2-CB 4.26Å; T166-V200 HydrophobicContact CG2-CG2 4.16Å; V200-E202 PolarHBondContact O-N 2.95Å; V200-E202 VanDerWaalsContact O-N 3.1Å; V200-V203 WeakPolarHBondContact O-CB 3.31Å; V200-V203 VanDerWaalsContact O-CG2 3.3Å; V200-V203 WeakPolarHBondContact O-CG2 3.09Å; V200-V203 PolarHBondContact O-N 3.19Å; V200-L214 HydrophobicContact CG2-CD2 3.77Å; V200-D218 HydrophobicContact CG1-CB 4.19Å; V200-I219 WeakPolarHBondContact CA-O 3.47Å; V200-V220 HydrophobicContact CG2-CB 4.1Å; V200-V220 HydrophobicContact CG2-CG2 3.72Å
201	N	98.8	Very high	98.6	Very high	21 Å²	21	15.9 Å²	15.9	11%	0.112	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-105.1	170	-62	-25.4	0	0	0	115.2	V203 D218 I219 L356 S357	N201-V203 PolarHBondContact O-N 3.09Å; N201-D218 PolarHBondContact ND2-OD1 2.66Å; N201-D218 WeakPolarHBondContact OD1-CA 3.29Å; N201-I219 PolarHBondContact N-O 3.1Å; N201-I219 PolarHBondContact OD1-N 3.41Å; N201-I219 PolarHBondContact OD1-O 3.34Å; N201-L356 HydrophobicContact CB-CD2 3.67Å; N201-S357 PolarHBondContact O-N 3.17Å
202	E	98.8	Very high	98.6	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.019	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.6	-179.4	70.3	-93.3	-140.8	0	0	114	G89 P90 L91 V200 I204 T350 T351 K355	G89-E202 WeakPolarHBondContact CA-OE1 3.1Å; P90-E202 VanDerWaalsContact CD-OE1 3.3Å; P90-E202 WeakPolarHBondContact CD-OE1 3.37Å; L91-E202 VanDerWaalsContact CB-CD 3.5Å; L91-E202 WeakPolarHBondContact CB-OE1 3.46Å; L91-E202 PolarHBondContact N-OE1 2.98Å; V200-E202 PolarHBondContact O-N 2.95Å; V200-E202 VanDerWaalsContact O-N 3.1Å; E202-I204 PolarHBondContact O-N 3.19Å; E202-T350 HydrophobicContact CG-CG2 4.36Å; E202-T350 CarbonylContact O-C 3.33Å; E202-T350 WeakPolarHBondContact O-CA 3.41Å; E202-T350 WeakPolarHBondContact O-CB 3.27Å; E202-T351 PolarHBondContact O-N 2.84Å; E202-K355 WeakPolarHBondContact CA-O 3.39Å; E202-K355 WeakPolarHBondContact CB-O 3.37Å
203	V	98.9	Very high	98.6	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.03	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	117.5	173.1	-174.5	0	0	0	0	109	L91 V200 N201 T348 A349 T350	L91-V203 HydrophobicContact CD2-CG2 3.4Å; V200-V203 WeakPolarHBondContact O-CB 3.31Å; V200-V203 VanDerWaalsContact O-CG2 3.3Å; V200-V203 WeakPolarHBondContact O-CG2 3.09Å; V200-V203 PolarHBondContact O-N 3.19Å; N201-V203 PolarHBondContact O-N 3.09Å; V203-T348 HydrophobicContact CG1-CG2 3.75Å; V203-T348 HydrophobicContact CG2-CG2 3.93Å; V203-A349 CarbonylContact C-O 3.58Å; V203-A349 WeakPolarHBondContact CA-O 3.31Å; V203-T350 HydrophobicContact CB-CG2 4.48Å; V203-T350 HydrophobicContact CG2-CG2 3.97Å
204	I	98.9	Very high	98.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-53.2	178.9	-69.3	168.5	0	0	0	110.3	E202 V291 M332 E340 A349 T351	E202-I204 PolarHBondContact O-N 3.19Å; I204-V291 HydrophobicContact CD1-CG2 4.02Å; I204-V291 HydrophobicContact CG1-CG2 4.27Å; I204-V291 HydrophobicContact CG2-CB 4.45Å; I204-V291 HydrophobicContact CG2-CG1 4.1Å; I204-V291 HydrophobicContact CG2-CG2 3.78Å; I204-M332 HydrophobicContact CG2-CB 3.87Å; I204-M332 HydrophobicContact CG2-CG 3.8Å; I204-M332 HydrophobicContact CG2-SD 3.52Å; I204-M332 VanDerWaalsContact CG2-SD 3.52Å; I204-E340 HydrophobicContact CD1-CB 3.65Å; I204-A349 HydrophobicContact CB-CB 4.45Å; I204-A349 PolarHBondContact N-O 3.43Å; I204-T351 HydrophobicContact CD1-CG2 4.09Å; I204-T351 HydrophobicContact CG1-CG2 3.81Å
205	C	98.8	Very high	98.6	Very high	2 Å²	2	17 Å²	17	1%	0.014	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	170.6	-179.7	63.7	0	0	0	0	110.6	S199 G207 Y294 M332 A349	S199-C205 WeakPolarHBondContact OG-CA 3.37Å; C205-G207 PolarHBondContact O-N 2.53Å; C205-G207 VanDerWaalsContact O-N 3.14Å; C205-Y294 VanDerWaalsContact SG-CE2 3.56Å; C205-M332 HydrophobicContact CB-SD 3.95Å; C205-A349 PolarHBondContact O-N 2.73Å
206	H	98.8	Very high	98.6	Very high	41 Å²	41	21.5 Å²	21.5	19%	0.19	12%	0.122	C	C	.	.			trans	56.8	26.5	174.5	-51.5	151.8	0	0	0	115.5	S199 I208 Y294 W347	S199-H206 PolarHBondContact OG-N 3.17Å; H206-I208 PolarHBondContact O-N 3.47Å; H206-Y294 AromaticContact CE1-CD1 3.91Å; H206-Y294 AromaticContact CE1-CE1 3.5Å; H206-Y294 VanDerWaalsContact CE1-CE1 3.5Å; H206-Y294 WeakPolarHBondContact CE1-CE1 3.12Å; H206-Y294 AromaticContact ND1-CE1 3.73Å; H206-W347 HydrophobicContact CB-CB 4.43Å; H206-W347 HydrophobicContact CB-CE3 4.29Å; H206-W347 WeakPolarHBondContact CB-O 3.45Å
207	G	98.7	Very high	98.6	Very high	3 Å²	3	22.8 Å²	22.8	3%	0.031	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-59.9	126.2	170.7	0	0	0	0	0	110.4	C197 T198 S199 C205 P209	C197-G207 WeakPolarHBondContact CA-O 3.46Å; T198-G207 PolarHBondContact N-O 3.22Å; T198-G207 CarbonylContact O-C 3.53Å; T198-G207 WeakPolarHBondContact O-CA 3.46Å; S199-G207 PolarHBondContact OG-N 3.41Å; C205-G207 PolarHBondContact O-N 2.53Å; C205-G207 VanDerWaalsContact O-N 3.14Å; G207-P209 VanDerWaalsContact O-CD 3.31Å; G207-P209 WeakPolarHBondContact O-CD 3.2Å
208	I	98.8	Very high	98.6	Very high	13 Å²	13	23 Å²	23	7%	0.067	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-79.9	122.5	-179.8	-62.6	170.8	0	0	0	109.3	Q96 F192 P193 K194 H206 D210 D345 W347	Q96-I208 HydrophobicContact CG-CG2 4.35Å; F192-I208 HydrophobicContact CD2-CG1 4.32Å; F192-I208 HydrophobicContact CE2-CG1 3.66Å; F192-I208 HydrophobicContact CZ-CG1 4.28Å; P193-I208 HydrophobicContact CG-CD1 4.05Å; P193-I208 HydrophobicContact CG-CG1 4.35Å; P193-I208 HydrophobicContact CG-CG2 3.64Å; K194-I208 HydrophobicContact CG-CG2 3.79Å; H206-I208 PolarHBondContact O-N 3.47Å; I208-D210 PolarHBondContact O-N 3.19Å; I208-D345 HydrophobicContact CD1-CB 3.82Å; I208-W347 HydrophobicContact CD1-CB 4.02Å; I208-W347 HydrophobicContact CD1-CG 4.35Å; I208-W347 HydrophobicContact CG1-CB 4.15Å
209	P	98.7	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-49.9	127.1	172.1	-30.4	33.9	0	0	0	113.8	D170 K194 C196 T198 G207	D170-P209 HydrophobicContact CB-CB 3.59Å; D170-P209 HydrophobicContact CB-CG 3.8Å; K194-P209 HydrophobicContact CB-CB 4.29Å; K194-P209 HydrophobicContact CB-CG 3.83Å; K194-P209 HydrophobicContact CD-CB 4.18Å; K194-P209 VanDerWaalsContact CE-O 3.28Å; K194-P209 WeakPolarHBondContact CE-O 3.5Å; K194-P209 HydrophobicContact CG-CB 3.94Å; K194-P209 HydrophobicContact CG-CG 4Å; C196-P209 VanDerWaalsContact O-CD 3.3Å; C196-P209 WeakPolarHBondContact O-CD 3.18Å; C196-P209 WeakPolarHBondContact O-CG 3.48Å; T198-P209 HydrophobicContact CG2-CG 4.09Å; T198-P209 WeakPolarHBondContact OG1-CA 3.41Å; G207-P209 VanDerWaalsContact O-CD 3.31Å; G207-P209 WeakPolarHBondContact O-CD 3.2Å
210	D	98.4	Very high	98.6	Very high	17 Å²	17	22.6 Å²	22.6	9%	0.091	13%	0.133	C	C	.	.			trans	-143.4	-178	-175.6	71.3	17.9	0	0	0	112.1	H94 Q96 T166 D167 I208 R212	H94-D210 HydrophobicContact CB-CB 4.08Å; H94-D210 PolarHBondContact N-OD2 2.88Å; Q96-D210 HydrophobicContact CG-CB 4.11Å; T166-D210 PolarHBondContact N-O 2.66Å; T166-D210 PolarHBondContact OG1-N 3.23Å; T166-D210 PolarHBondContact OG1-O 3.43Å; T166-D210 VanDerWaalsContact OG1-O 3.05Å; T166-D210 PolarHBondContact OG1-OD1 3.03Å; D167-D210 VanDerWaalsContact CB-O 3.28Å; D167-D210 WeakPolarHBondContact CB-O 3.18Å; D167-D210 PolarHBondContact N-O 3.21Å; I208-D210 PolarHBondContact O-N 3.19Å; D210-R212 PolarHBondContact O-N 3.44Å; D210-R212 WeakPolarHBondContact OD1-CB 3.48Å; D210-R212 PolarHBondContact OD1-N 3.49Å
211	L	97.7	Very high	98.6	Very high	77 Å²	77	22.5 Å²	22.5	40%	0.403	13%	0.133	S	C	.	.	S	Bend	trans	-80.3	12.7	-176.9	-66.6	177.6	0	0	0	114.1	H94 L95 T165 D167 P213	H94-L211 HydrophobicContact CB-CB 4.34Å; L95-L211 HydrophobicContact CB-CD1 4.15Å; L95-L211 VanDerWaalsContact O-CB 3.32Å; L95-L211 WeakPolarHBondContact O-CB 3.41Å; L95-L211 WeakPolarHBondContact O-CG 3.41Å; L95-L211 PolarHBondContact O-N 3.29Å; T165-L211 WeakPolarHBondContact CG2-O 3.29Å; D167-L211 HydrophobicContact CB-CD2 4.18Å; L211-P213 VanDerWaalsContact O-CD 3.26Å; L211-P213 WeakPolarHBondContact O-CD 3.47Å
212	R	97.7	Very high	98.6	Very high	35 Å²	35	21.5 Å²	21.5	13%	0.132	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-69.4	120.8	174.3	-176	-176.2	169.8	-88.2	10.1	109.9	L91 H94 T165 D210 D218	L91-R212 VanDerWaalsContact CD1-CD 3.49Å; L91-R212 VanDerWaalsContact CD1-CZ 3.45Å; H94-R212 HydrophobicContact CB-CB 4.24Å; T165-R212 WeakPolarHBondContact CA-O 3.32Å; D210-R212 PolarHBondContact O-N 3.44Å; D210-R212 WeakPolarHBondContact OD1-CB 3.48Å; D210-R212 PolarHBondContact OD1-N 3.49Å; R212-D218 IonicContact CZ-OD2 3.81Å; R212-D218 VanDerWaalsContact CZ-OD2 3.27Å; R212-D218 IonicContact NH1-OD2 3.21Å; R212-D218 PolarHBondContact NH1-OD2 3.01Å; R212-D218 IonicContact NH2-OD1 3.9Å; R212-D218 PolarHBondContact NH2-OD1 3.46Å; R212-D218 IonicContact NH2-OD2 3.27Å; R212-D218 PolarHBondContact NH2-OD2 3.06Å
213	P	98.2	Very high	98.6	Very high	66 Å²	66	22 Å²	22	43%	0.429	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-68.4	134.8	169	-15.6	31.5	0	0	0	110.3	T165 L211	T165-P213 HydrophobicContact CG2-CG 4.38Å; L211-P213 VanDerWaalsContact O-CD 3.26Å; L211-P213 WeakPolarHBondContact O-CD 3.47Å
214	L	98.7	Very high	98.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-61.5	134.4	169.7	-66	175	0	0	0	110.1	I160 G163 M164 T166 I169 V200 V220 V241	I160-L214 HydrophobicContact CG2-CD1 3.94Å; G163-L214 PolarHBondContact N-O 3.19Å; M164-L214 WeakPolarHBondContact O-CB 3.32Å; M164-L214 WeakPolarHBondContact O-CG 3.45Å; M164-L214 PolarHBondContact O-N 3.15Å; T166-L214 HydrophobicContact CG2-CD2 4.17Å; I169-L214 HydrophobicContact CD1-CD1 3.87Å; V200-L214 HydrophobicContact CG2-CD2 3.77Å; L214-V220 HydrophobicContact CD1-CG1 4.15Å; L214-V220 HydrophobicContact CD2-CB 4.13Å; L214-V220 HydrophobicContact CD2-CG1 4.31Å; L214-V220 HydrophobicContact CD2-CG2 4.24Å; L214-V241 HydrophobicContact CB-CG1 3.97Å; L214-V241 HydrophobicContact CB-CG2 4.45Å; L214-V241 HydrophobicContact CD1-CG2 4.11Å
215	A	98.5	Very high	98.6	Very high	42 Å²	42	21.8 Å²	21.8	35%	0.347	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-96.8	156.4	-179.8	0	0	0	0	0	111.6	G217 D218 V241	A215-G217 PolarHBondContact O-N 3.18Å; A215-D218 PolarHBondContact N-OD2 3.31Å; A215-D218 WeakPolarHBondContact O-CB 3.1Å; A215-D218 PolarHBondContact O-N 2.68Å; A215-D218 VanDerWaalsContact O-N 3.17Å; A215-V241 WeakPolarHBondContact O-CG1 3.28Å
216	D	98.4	Very high	98.6	Very high	97 Å²	97	21.8 Å²	21.8	52%	0.519	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	126.9	169.3	-173.4	53.3	0	0	0	109.8	V162 G242 T243	V162-D216 HydrophobicContact CG1-CB 4.37Å; V162-D216 HydrophobicContact CG2-CB 4.02Å; D216-G242 VanDerWaalsContact OD1-CA 3.31Å; D216-G242 WeakPolarHBondContact OD1-CA 3.31Å; D216-T243 PolarHBondContact OD1-N 3.23Å
217	G	98	Very high	98.6	Very high	28 Å²	28	20.9 Å²	20.9	29%	0.289	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-5.3	-176.4	0	0	0	0	0	115.3	A215 V241 T243	A215-G217 PolarHBondContact O-N 3.18Å; G217-V241 PolarHBondContact N-O 2.84Å; G217-T243 WeakPolarHBondContact CA-O 3.26Å
218	D	98.7	Very high	98.6	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.059	13%	0.127	C	C	.	.			trans	-63.9	149.6	171.9	-79	-13.3	0	0	0	110.9	V200 N201 R212 A215 V241 V244	V200-D218 HydrophobicContact CG1-CB 4.19Å; N201-D218 PolarHBondContact ND2-OD1 2.66Å; N201-D218 WeakPolarHBondContact OD1-CA 3.29Å; R212-D218 IonicContact CZ-OD2 3.81Å; R212-D218 VanDerWaalsContact CZ-OD2 3.27Å; R212-D218 IonicContact NH1-OD2 3.21Å; R212-D218 PolarHBondContact NH1-OD2 3.01Å; R212-D218 IonicContact NH2-OD1 3.9Å; R212-D218 PolarHBondContact NH2-OD1 3.46Å; R212-D218 IonicContact NH2-OD2 3.27Å; R212-D218 PolarHBondContact NH2-OD2 3.06Å; A215-D218 PolarHBondContact N-OD2 3.31Å; A215-D218 WeakPolarHBondContact O-CB 3.1Å; A215-D218 PolarHBondContact O-N 2.68Å; A215-D218 VanDerWaalsContact O-N 3.17Å; D218-V241 HydrophobicContact CB-CB 4.02Å; D218-V241 HydrophobicContact CB-CG2 4.02Å; D218-V241 WeakPolarHBondContact O-CB 3.43Å; D218-V241 PolarHBondContact O-N 3.38Å; D218-V244 WeakPolarHBondContact O-CG2 3.27Å
219	I	98.7	Very high	98.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142	154.4	62.1	174.8	0	0	0	108.6	V200 N201 T238 F239 L240 V244 A248 L251 V252 L356 S357 A358	V200-I219 WeakPolarHBondContact CA-O 3.47Å; N201-I219 PolarHBondContact N-O 3.1Å; N201-I219 PolarHBondContact OD1-N 3.41Å; N201-I219 PolarHBondContact OD1-O 3.34Å; I219-T238 HydrophobicContact CB-CG2 3.98Å; I219-T238 HydrophobicContact CD1-CG2 4.38Å; I219-T238 HydrophobicContact CG1-CG2 4.49Å; I219-F239 WeakPolarHBondContact CA-O 3.45Å; I219-L240 HydrophobicContact CG2-CD2 3.87Å; I219-V244 HydrophobicContact CG2-CG1 3.88Å; I219-A248 HydrophobicContact CG2-CB 4.08Å; I219-L251 HydrophobicContact CD1-CD2 4.24Å; I219-V252 HydrophobicContact CB-CG2 4.49Å; I219-V252 HydrophobicContact CD1-CG2 4.24Å; I219-V252 HydrophobicContact CG2-CG2 4.03Å; I219-L356 HydrophobicContact CD1-CB 4.18Å; I219-L356 HydrophobicContact CD1-CD1 4.39Å; I219-L356 HydrophobicContact CD1-CD2 4.43Å; I219-L356 HydrophobicContact CG1-CD2 4.41Å; I219-S357 VanDerWaalsContact CD1-O 3.32Å; I219-S357 WeakPolarHBondContact CD1-O 3.5Å; I219-A358 HydrophobicContact CD1-CB 4.46Å
220	V	98.8	Very high	98.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.5	179.5	59.4	0	0	0	0	110.1	I160 S199 V200 L214 F239 V241	I160-V220 HydrophobicContact CG2-CG1 3.99Å; S199-V220 WeakPolarHBondContact O-CA 3.45Å; V200-V220 HydrophobicContact CG2-CB 4.1Å; V200-V220 HydrophobicContact CG2-CG2 3.72Å; L214-V220 HydrophobicContact CD1-CG1 4.15Å; L214-V220 HydrophobicContact CD2-CB 4.13Å; L214-V220 HydrophobicContact CD2-CG1 4.31Å; L214-V220 HydrophobicContact CD2-CG2 4.24Å; V220-F239 HydrophobicContact CG1-CB 4.09Å; V220-F239 PolarHBondContact N-O 2.89Å; V220-F239 WeakPolarHBondContact O-CD2 3.34Å; V220-F239 PolarHBondContact O-N 3.41Å; V220-V241 HydrophobicContact CG1-CG2 3.7Å
221	N	98.9	Very high	98.4	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.3	166.7	175.8	-82.3	0	0	0	110	T198 S199 N236 E237 Q359	T198-N221 CarbonylContact C-O 3.49Å; T198-N221 VanDerWaalsContact CA-O 3.31Å; T198-N221 WeakPolarHBondContact CA-O 3.47Å; S199-N221 PolarHBondContact N-O 3.21Å; S199-N221 PolarHBondContact O-N 3.03Å; N221-N236 PolarHBondContact ND2-OD1 3.3Å; N221-E237 VanDerWaalsContact CA-O 3.29Å; N221-E237 WeakPolarHBondContact CA-O 3.14Å; N221-E237 PolarHBondContact ND2-O 3.11Å; N221-Q359 PolarHBondContact ND2-O 3.07Å
222	L	98.9	Very high	98.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.3	170.7	175	63.7	0	0	0	108.3	M153 A156 I160 I169 V173 C196 T198 I224 N236 E237 F239	M153-L222 WeakPolarHBondContact CE-O 3.26Å; A156-L222 HydrophobicContact CB-CD2 3.62Å; I160-L222 HydrophobicContact CD1-CD2 4.5Å; I169-L222 HydrophobicContact CG2-CD1 3.73Å; I169-L222 HydrophobicContact CG2-CD2 3.98Å; I169-L222 HydrophobicContact CG2-CG 4.46Å; V173-L222 HydrophobicContact CG2-CD1 4.31Å; V173-L222 HydrophobicContact CG2-CD2 4.44Å; C196-L222 HydrophobicContact CB-CD1 3.97Å; T198-L222 HydrophobicContact CG2-CD1 3.94Å; L222-I224 HydrophobicContact CD1-CD1 3.81Å; L222-I224 HydrophobicContact CD1-CG1 4.48Å; L222-I224 HydrophobicContact CD2-CD1 4.12Å; L222-I224 HydrophobicContact CD2-CG1 4.32Å; L222-I224 HydrophobicContact CG-CD1 3.81Å; L222-I224 HydrophobicContact CG-CG1 3.98Å; L222-N236 VanDerWaalsContact O-CA 3.26Å; L222-N236 WeakPolarHBondContact O-CA 3.07Å; L222-N236 VanDerWaalsContact O-CB 3.31Å; L222-N236 WeakPolarHBondContact O-CB 3.38Å; L222-E237 PolarHBondContact N-O 3.38Å; L222-E237 PolarHBondContact O-N 3.46Å; L222-F239 HydrophobicContact CB-CD2 4.24Å; L222-F239 HydrophobicContact CB-CE2 3.74Å
223	D	98.9	Very high	98.5	Very high	14 Å²	14	24.5 Å²	24.5	8%	0.075	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.5	-176.1	-172.3	-0.5	0	0	0	110.9	C196 C197 N236	C196-D223 WeakPolarHBondContact CA-O 3.39Å; C196-D223 WeakPolarHBondContact CB-O 3.41Å; C197-D223 HydrophobicContact CB-CB 3.95Å; C197-D223 PolarHBondContact N-O 3.37Å; C197-D223 PolarHBondContact O-N 2.79Å; D223-N236 HydrophobicContact CB-CB 3.75Å
224	I	98.8	Very high	98.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.6	-167.4	-56.2	-65.2	0	0	0	110.1	A149 V152 M153 V173 C196 L222 L226 L235	A149-I224 HydrophobicContact CB-CG2 4.44Å; V152-I224 HydrophobicContact CB-CG2 4.44Å; V152-I224 HydrophobicContact CG1-CG2 4.15Å; M153-I224 HydrophobicContact CB-CG1 4.13Å; M153-I224 HydrophobicContact CE-CB 4.46Å; M153-I224 HydrophobicContact CE-CG1 3.91Å; V173-I224 HydrophobicContact CB-CD1 4.12Å; V173-I224 HydrophobicContact CG1-CD1 3.55Å; V173-I224 HydrophobicContact CG2-CD1 3.41Å; V173-I224 VanDerWaalsContact CG2-CD1 3.41Å; C196-I224 HydrophobicContact CB-CD1 3.69Å; L222-I224 HydrophobicContact CD1-CD1 3.81Å; L222-I224 HydrophobicContact CD1-CG1 4.48Å; L222-I224 HydrophobicContact CD2-CD1 4.12Å; L222-I224 HydrophobicContact CD2-CG1 4.32Å; L222-I224 HydrophobicContact CG-CD1 3.81Å; L222-I224 HydrophobicContact CG-CG1 3.98Å; I224-L226 HydrophobicContact CG2-CD2 4.4Å; I224-L226 HydrophobicContact CG2-CG 4.39Å; I224-L235 HydrophobicContact CB-CD2 3.97Å; I224-L235 HydrophobicContact CG2-CD2 4.3Å; I224-L235 PolarHBondContact N-O 3.39Å; I224-L235 WeakPolarHBondContact O-CD2 3.43Å; I224-L235 PolarHBondContact O-N 3.11Å; I224-L235 VanDerWaalsContact O-N 3.15Å
225	T	98.9	Very high	98.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.5	167.2	-29.7	0	0	0	0	111.1	S185 H232 G233 D234 I299 F303	S185-T225 PolarHBondContact N-O 3.12Å; S185-T225 WeakPolarHBondContact OG-CG2 3.37Å; S185-T225 PolarHBondContact OG-O 3.35Å; S185-T225 VanDerWaalsContact OG-O 3.12Å; T225-H232 HydrophobicContact CG2-CB 4.15Å; T225-G233 VanDerWaalsContact CA-O 3.27Å; T225-G233 WeakPolarHBondContact CA-O 3.3Å; T225-G233 WeakPolarHBondContact CG2-O 3.43Å; T225-D234 WeakPolarHBondContact CB-OD1 3.36Å; T225-D234 HydrophobicContact CG2-CB 3.96Å; T225-D234 VanDerWaalsContact OG1-CG 3.23Å; T225-D234 PolarHBondContact OG1-OD1 2.92Å; T225-D234 PolarHBondContact OG1-OD2 3.01Å; T225-I299 HydrophobicContact CG2-CD1 4.39Å; T225-F303 HydrophobicContact CG2-CD2 3.74Å; T225-F303 HydrophobicContact CG2-CE2 3.32Å; T225-F303 HydrophobicContact CG2-CZ 3.9Å; T225-F303 WeakPolarHBondContact OG1-CE2 3.27Å; T225-F303 WeakPolarHBondContact OG1-CZ 3.41Å
226	L	98.8	Very high	98.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.6	173.7	-60.5	-171.1	0	0	0	111.9	L148 A149 V152 S177 C182 S185 I224 H232 G233	L148-L226 VanDerWaalsContact C-CD1 3.5Å; L148-L226 HydrophobicContact CB-CD1 4.01Å; L148-L226 WeakPolarHBondContact O-CD1 3.48Å; A149-L226 HydrophobicContact CB-CB 4.28Å; A149-L226 HydrophobicContact CB-CD1 4.27Å; A149-L226 HydrophobicContact CB-CG 4.01Å; V152-L226 HydrophobicContact CB-CD1 4.18Å; V152-L226 HydrophobicContact CG2-CD1 3.63Å; S177-L226 WeakPolarHBondContact OG-CD2 3.5Å; C182-L226 HydrophobicContact CB-CB 4.16Å; C182-L226 HydrophobicContact CB-CD1 4Å; C182-L226 HydrophobicContact CB-CD2 4.36Å; C182-L226 HydrophobicContact CB-CG 4.42Å; S185-L226 VanDerWaalsContact OG-C 3.28Å; I224-L226 HydrophobicContact CG2-CD2 4.4Å; I224-L226 HydrophobicContact CG2-CG 4.39Å; L226-H232 CarbonylContact O-C 3.55Å; L226-H232 WeakPolarHBondContact O-CA 3.5Å; L226-G233 PolarHBondContact N-O 3.44Å; L226-G233 PolarHBondContact O-N 3.33Å
227	Y	98.9	Very high	98.6	Very high	23 Å²	23	15 Å²	15	9%	0.09	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.4	167.5	178.8	-100.2	0	0	0	109.8	E107 P109 C182 Y183 S185 G230 F231 H232	E107-Y227 HydrophobicContact CB-CE1 4.29Å; E107-Y227 HydrophobicContact CG-CE1 3.94Å; E107-Y227 PolarHBondContact OE1-OH 3.46Å; P109-Y227 HydrophobicContact CB-CD1 4.42Å; P109-Y227 HydrophobicContact CB-CD2 4.28Å; P109-Y227 HydrophobicContact CB-CE1 4.45Å; P109-Y227 HydrophobicContact CB-CE2 4.26Å; P109-Y227 HydrophobicContact CB-CG 4.31Å; P109-Y227 HydrophobicContact CG-CD1 4.36Å; P109-Y227 HydrophobicContact CG-CG 4.31Å; C182-Y227 WeakPolarHBondContact CA-O 3.46Å; Y183-Y227 PolarHBondContact N-O 3.35Å; Y183-Y227 PolarHBondContact O-N 2.87Å; S185-Y227 PolarHBondContact OG-N 2.64Å; Y227-G230 VanDerWaalsContact CE2-C 3.43Å; Y227-G230 VanDerWaalsContact OH-CA 3.31Å; Y227-G230 WeakPolarHBondContact OH-CA 3.41Å; Y227-F231 CarbonylContact C-O 3.51Å; Y227-F231 VanDerWaalsContact CA-O 3.28Å; Y227-F231 WeakPolarHBondContact CA-O 3.17Å; Y227-H232 AromaticContact CD2-CD2 3.69Å; Y227-H232 AromaticContact CD2-CE1 3.37Å; Y227-H232 WeakPolarHBondContact CD2-CE1 3.39Å; Y227-H232 AromaticContact CD2-CG 3.97Å; Y227-H232 AromaticContact CD2-ND1 3.78Å; Y227-H232 AromaticContact CD2-NE2 3.31Å; Y227-H232 VanDerWaalsContact CD2-NE2 3.31Å; Y227-H232 WeakPolarHBondContact CD2-NE2 3.32Å; Y227-H232 AromaticContact CE2-NE2 3.79Å; Y227-H232 AromaticContact CG-CE1 3.9Å
228	H	98.7	Very high	98.7	Very high	20 Å²	20	13.8 Å²	13.8	9%	0.093	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.2	179.5	-171.7	72.8	0	0	0	110.1	S145 L148 D181 G230 F231	S145-H228 PolarHBondContact OG-O 3.12Å; L148-H228 HydrophobicContact CD1-CB 4.19Å; D181-H228 PolarHBondContact O-ND1 2.74Å; H228-G230 VanDerWaalsContact C-N 3.28Å; H228-G230 PolarHBondContact O-N 2.86Å; H228-F231 PolarHBondContact N-O 3.41Å; H228-F231 PolarHBondContact O-N 3.31Å
229	R	96.4	Very high	98.7	Very high	183 Å²	183	13.8 Å²	13.8	69%	0.691	6%	0.059	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	43.8	175.7	-62.3	177.5	-177.2	-168.8	0.1	114	E107	E107-R229 VanDerWaalsContact OE2-CA 3.32Å; E107-R229 WeakPolarHBondContact OE2-CA 3.28Å
230	G	97.8	Very high	98.6	Very high	8 Å²	8	15.4 Å²	15.4	8%	0.082	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	1.7	179	0	0	0	0	0	116.3	E107 Y227 H228 R301	E107-G230 PolarHBondContact OE1-N 2.63Å; E107-G230 PolarHBondContact OE2-N 2.9Å; Y227-G230 VanDerWaalsContact CE2-C 3.43Å; Y227-G230 VanDerWaalsContact OH-CA 3.31Å; Y227-G230 WeakPolarHBondContact OH-CA 3.41Å; H228-G230 VanDerWaalsContact C-N 3.28Å; H228-G230 PolarHBondContact O-N 2.86Å; G230-R301 VanDerWaalsContact O-CA 3.26Å; G230-R301 WeakPolarHBondContact O-CA 3.5Å; G230-R301 WeakPolarHBondContact O-CG 3.16Å
231	F	98.7	Very high	98.6	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.022	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.2	-175.1	-74	-94.8	0	0	0	112.8	E138 A141 M142 S145 Y227 H228 N300 R301	E138-F231 HydrophobicContact CB-CE1 3.94Å; E138-F231 HydrophobicContact CB-CZ 3.63Å; E138-F231 HydrophobicContact CG-CE1 4.32Å; E138-F231 HydrophobicContact CG-CZ 3.61Å; A141-F231 HydrophobicContact CB-CB 4.46Å; A141-F231 HydrophobicContact CB-CD1 4.46Å; A141-F231 HydrophobicContact CB-CD2 3.32Å; A141-F231 HydrophobicContact CB-CE2 3.58Å; A141-F231 HydrophobicContact CB-CG 3.83Å; A141-F231 HydrophobicContact CB-CZ 4.27Å; M142-F231 HydrophobicContact CG-CD1 3.76Å; M142-F231 HydrophobicContact CG-CE1 4.26Å; M142-F231 HydrophobicContact SD-CB 4.14Å; M142-F231 HydrophobicContact SD-CD1 3.6Å; M142-F231 HydrophobicContact SD-CG 4.31Å; S145-F231 PolarHBondContact OG-O 3.32Å; Y227-F231 CarbonylContact C-O 3.51Å; Y227-F231 VanDerWaalsContact CA-O 3.28Å; Y227-F231 WeakPolarHBondContact CA-O 3.17Å; H228-F231 PolarHBondContact N-O 3.41Å; H228-F231 PolarHBondContact O-N 3.31Å; F231-N300 CarbonylContact C-O 3.53Å; F231-N300 WeakPolarHBondContact CA-O 3.31Å; F231-N300 HydrophobicContact CD1-CB 4.15Å; F231-N300 HydrophobicContact CE1-CB 4.11Å; F231-R301 HydrophobicContact CD1-CG 4.22Å; F231-R301 HydrophobicContact CE1-CG 3.73Å; F231-R301 HydrophobicContact CE2-CG 4.17Å; F231-R301 HydrophobicContact CZ-CG 3.66Å
232	H	98.9	Very high	98.5	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.019	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.6	174.3	-63	-88.9	0	0	0	110.8	M142 S185 T225 L226 Y227 I299 N300 L302 F303	M142-H232 WeakPolarHBondContact CE-O 3.47Å; M142-H232 VanDerWaalsContact SD-O 3.36Å; S185-H232 WeakPolarHBondContact CB-ND1 3.38Å; S185-H232 PolarHBondContact OG-ND1 2.87Å; T225-H232 HydrophobicContact CG2-CB 4.15Å; L226-H232 CarbonylContact O-C 3.55Å; L226-H232 WeakPolarHBondContact O-CA 3.5Å; Y227-H232 AromaticContact CD2-CD2 3.69Å; Y227-H232 AromaticContact CD2-CE1 3.37Å; Y227-H232 WeakPolarHBondContact CD2-CE1 3.39Å; Y227-H232 AromaticContact CD2-CG 3.97Å; Y227-H232 AromaticContact CD2-ND1 3.78Å; Y227-H232 AromaticContact CD2-NE2 3.31Å; Y227-H232 VanDerWaalsContact CD2-NE2 3.31Å; Y227-H232 WeakPolarHBondContact CD2-NE2 3.32Å; Y227-H232 AromaticContact CE2-NE2 3.79Å; Y227-H232 AromaticContact CG-CE1 3.9Å; H232-I299 HydrophobicContact CB-CD1 3.72Å; H232-I299 HydrophobicContact CB-CG1 3.81Å; H232-N300 PolarHBondContact N-O 3.45Å; H232-L302 VanDerWaalsContact CD2-C 3.47Å; H232-F303 PolarHBondContact CD2-N 3.1Å
233	G	98.8	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.8	169.1	0	0	0	0	0	110.6	A149 T225 L226	A149-G233 WeakPolarHBondContact CB-O 3.46Å; T225-G233 VanDerWaalsContact CA-O 3.27Å; T225-G233 WeakPolarHBondContact CA-O 3.3Å; T225-G233 WeakPolarHBondContact CG2-O 3.43Å; L226-G233 PolarHBondContact N-O 3.44Å; L226-G233 PolarHBondContact O-N 3.33Å
234	D	99	Very high	98.3	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.027	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.7	-165.8	-146.5	0.4	0	0	0	113.8	T225 H297 I299 F303 T328 T363 T375	T225-D234 WeakPolarHBondContact CB-OD1 3.36Å; T225-D234 HydrophobicContact CG2-CB 3.96Å; T225-D234 VanDerWaalsContact OG1-CG 3.23Å; T225-D234 PolarHBondContact OG1-OD1 2.92Å; T225-D234 PolarHBondContact OG1-OD2 3.01Å; D234-H297 IonicContact OD2-CE1 3.39Å; D234-H297 IonicContact OD2-NE2 2.81Å; D234-I299 HydrophobicContact CB-CD1 3.5Å; D234-F303 WeakPolarHBondContact OD2-CE2 3.48Å; D234-T328 HydrophobicContact CB-CG2 4.22Å; D234-T363 PolarHBondContact N-OG1 2.95Å; D234-T363 VanDerWaalsContact N-OG1 3.16Å; D234-T363 PolarHBondContact O-N 2.66Å; D234-T363 PolarHBondContact O-OG1 3.11Å; D234-T375 WeakPolarHBondContact O-CG2 3.47Å
235	L	98.9	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	153.7	176.4	78.1	173.9	0	0	0	111.7	A149 R150 M153 I224 T375	A149-L235 HydrophobicContact CB-CD2 3.6Å; R150-L235 HydrophobicContact CB-CD1 4.02Å; M153-L235 HydrophobicContact CB-CD1 4.24Å; M153-L235 HydrophobicContact CB-CD2 4.47Å; M153-L235 HydrophobicContact CB-CG 4.49Å; M153-L235 HydrophobicContact CE-CD1 4.47Å; M153-L235 HydrophobicContact CE-CG 3.94Å; M153-L235 HydrophobicContact SD-CD1 3.64Å; M153-L235 HydrophobicContact SD-CG 3.77Å; I224-L235 HydrophobicContact CB-CD2 3.97Å; I224-L235 HydrophobicContact CG2-CD2 4.3Å; I224-L235 PolarHBondContact N-O 3.39Å; I224-L235 WeakPolarHBondContact O-CD2 3.43Å; I224-L235 PolarHBondContact O-N 3.11Å; I224-L235 VanDerWaalsContact O-N 3.15Å; L235-T375 HydrophobicContact CB-CG2 3.99Å; L235-T375 HydrophobicContact CD1-CG2 4.38Å; L235-T375 HydrophobicContact CD2-CG2 4.44Å; L235-T375 HydrophobicContact CG-CG2 4.49Å
236	N	98.9	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.2	170.9	74.7	60.2	0	0	0	111.9	N221 L222 D223 Q359 F360 E361	N221-N236 PolarHBondContact ND2-OD1 3.3Å; L222-N236 VanDerWaalsContact O-CA 3.26Å; L222-N236 WeakPolarHBondContact O-CA 3.07Å; L222-N236 VanDerWaalsContact O-CB 3.31Å; L222-N236 WeakPolarHBondContact O-CB 3.38Å; D223-N236 HydrophobicContact CB-CB 3.75Å; N236-Q359 VanDerWaalsContact ND2-CD 3.26Å; N236-Q359 PolarHBondContact ND2-NE2 3.46Å; N236-Q359 VanDerWaalsContact ND2-NE2 3.11Å; N236-Q359 WeakPolarHBondContact OD1-CG 3.37Å; N236-Q359 PolarHBondContact OD1-O 3Å; N236-F360 WeakPolarHBondContact O-CA 3.28Å; N236-F360 VanDerWaalsContact OD1-C 3.26Å; N236-F360 WeakPolarHBondContact OD1-CA 3.32Å; N236-F360 PolarHBondContact OD1-N 2.99Å; N236-E361 HydrophobicContact CB-CB 4.25Å; N236-E361 VanDerWaalsContact CG-CB 3.46Å; N236-E361 WeakPolarHBondContact ND2-CB 3.31Å; N236-E361 PolarHBondContact ND2-OE2 3.34Å; N236-E361 PolarHBondContact O-N 3.38Å; N236-E361 PolarHBondContact OD1-N 3.24Å
237	E	98.8	Very high	98.1	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.1	174.9	-71.7	-169.3	-149.8	0	0	110.3	R150 M153 N221 L222 F239 F360 P384 W385	R150-E237 IonicContact CZ-OE1 2.97Å; R150-E237 IonicContact NH1-OE1 3.23Å; R150-E237 PolarHBondContact NH1-OE1 3.4Å; R150-E237 IonicContact NH2-OE1 3.25Å; R150-E237 PolarHBondContact NH2-OE1 3.13Å; M153-E237 HydrophobicContact CE-CB 4.46Å; M153-E237 HydrophobicContact SD-CB 4.13Å; M153-E237 HydrophobicContact SD-CG 3.84Å; N221-E237 VanDerWaalsContact CA-O 3.29Å; N221-E237 WeakPolarHBondContact CA-O 3.14Å; N221-E237 PolarHBondContact ND2-O 3.11Å; L222-E237 PolarHBondContact N-O 3.38Å; L222-E237 PolarHBondContact O-N 3.46Å; E237-F239 HydrophobicContact CB-CE2 3.84Å; E237-F239 HydrophobicContact CB-CZ 3.82Å; E237-F239 VanDerWaalsContact O-CD2 3.3Å; E237-F239 WeakPolarHBondContact O-CD2 3.39Å; E237-F239 WeakPolarHBondContact O-CE2 3.37Å; E237-F360 HydrophobicContact CB-CD1 4.08Å; E237-F360 HydrophobicContact CB-CE1 3.82Å; E237-F360 HydrophobicContact CG-CD1 3.88Å; E237-F360 HydrophobicContact CG-CE1 3.92Å; E237-P384 VanDerWaalsContact OE2-CA 3.32Å; E237-P384 WeakPolarHBondContact OE2-CA 3.5Å; E237-P384 VanDerWaalsContact OE2-CB 3.28Å; E237-P384 WeakPolarHBondContact OE2-CB 3.29Å; E237-W385 PolarHBondContact OE2-N 3.01Å
238	T	98.8	Very high	98	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.4	169.8	-54.1	0	0	0	0	110.9	I219 V252 A358 Q359	I219-T238 HydrophobicContact CB-CG2 3.98Å; I219-T238 HydrophobicContact CD1-CG2 4.38Å; I219-T238 HydrophobicContact CG1-CG2 4.49Å; T238-V252 HydrophobicContact CG2-CG2 3.79Å; T238-A358 HydrophobicContact CG2-CB 4.16Å; T238-Q359 PolarHBondContact N-O 3.4Å; T238-Q359 PolarHBondContact OG1-N 3.04Å; T238-Q359 PolarHBondContact OG1-O 3.34Å
239	F	98.4	Very high	98	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	147.7	-179	-58.6	-90.7	0	0	0	111.4	M153 A157 I160 I219 V220 L222 E237 W385	M153-F239 HydrophobicContact CG-CZ 4.45Å; A157-F239 HydrophobicContact CB-CD1 4.27Å; A157-F239 HydrophobicContact CB-CE1 3.33Å; A157-F239 HydrophobicContact CB-CZ 3.68Å; I160-F239 HydrophobicContact CD1-CB 4.13Å; I160-F239 HydrophobicContact CD1-CD1 3.98Å; I160-F239 HydrophobicContact CD1-CD2 3.56Å; I160-F239 HydrophobicContact CD1-CE1 4.32Å; I160-F239 HydrophobicContact CD1-CE2 3.98Å; I160-F239 HydrophobicContact CD1-CG 3.59Å; I160-F239 HydrophobicContact CD1-CZ 4.32Å; I160-F239 HydrophobicContact CG2-CB 4.32Å; I219-F239 WeakPolarHBondContact CA-O 3.45Å; V220-F239 HydrophobicContact CG1-CB 4.09Å; V220-F239 PolarHBondContact N-O 2.89Å; V220-F239 WeakPolarHBondContact O-CD2 3.34Å; V220-F239 PolarHBondContact O-N 3.41Å; L222-F239 HydrophobicContact CB-CD2 4.24Å; L222-F239 HydrophobicContact CB-CE2 3.74Å; E237-F239 HydrophobicContact CB-CE2 3.84Å; E237-F239 HydrophobicContact CB-CZ 3.82Å; E237-F239 VanDerWaalsContact O-CD2 3.3Å; E237-F239 WeakPolarHBondContact O-CD2 3.39Å; E237-F239 WeakPolarHBondContact O-CE2 3.37Å; F239-W385 HydrophobicContact CD1-CB 3.85Å; F239-W385 HydrophobicContact CD1-CG 4.39Å; F239-W385 HydrophobicContact CE1-CB 3.46Å; F239-W385 VanDerWaalsContact CE1-CB 3.46Å; F239-W385 AromaticContact CE1-CD1 3.89Å; F239-W385 HydrophobicContact CE1-CD2 4.32Å; F239-W385 AromaticContact CE1-CG 3.62Å; F239-W385 HydrophobicContact CE1-CG 3.62Å; F239-W385 HydrophobicContact CZ-CB 4.5Å
240	L	98.1	Very high	98.1	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.183	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.5	173.6	-54.9	-176.1	0	0	0	109.4	I219 V244 K249 V252 F386 F390	I219-L240 HydrophobicContact CG2-CD2 3.87Å; L240-V244 HydrophobicContact CB-CB 4.42Å; L240-V244 HydrophobicContact CB-CG2 3.74Å; L240-V244 HydrophobicContact CD2-CB 4.3Å; L240-V244 HydrophobicContact CD2-CG1 4.11Å; L240-V244 HydrophobicContact CD2-CG2 4.2Å; L240-V244 HydrophobicContact CG-CG2 4.47Å; L240-K249 HydrophobicContact CD1-CG 4.11Å; L240-V252 HydrophobicContact CD2-CB 4.36Å; L240-V252 HydrophobicContact CD2-CG1 4.36Å; L240-V252 HydrophobicContact CD2-CG2 3.92Å; L240-F386 HydrophobicContact CD1-CB 4.5Å; L240-F386 HydrophobicContact CG-CB 4.17Å; L240-F390 HydrophobicContact CD1-CE2 3.82Å; L240-F390 HydrophobicContact CD1-CZ 4.21Å
241	V	98.2	Very high	98.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	19%	0.185	C	C	.	.			trans	-99.7	105.6	179.3	-170.5	0	0	0	0	109.7	I160 V162 L214 A215 G217 D218 V220	I160-V241 HydrophobicContact CG2-CG2 4.24Å; V162-V241 HydrophobicContact CB-CG1 4.49Å; V162-V241 HydrophobicContact CG2-CG1 3.78Å; L214-V241 HydrophobicContact CB-CG1 3.97Å; L214-V241 HydrophobicContact CB-CG2 4.45Å; L214-V241 HydrophobicContact CD1-CG2 4.11Å; A215-V241 WeakPolarHBondContact O-CG1 3.28Å; G217-V241 PolarHBondContact N-O 2.84Å; D218-V241 HydrophobicContact CB-CB 4.02Å; D218-V241 HydrophobicContact CB-CG2 4.02Å; D218-V241 WeakPolarHBondContact O-CB 3.43Å; D218-V241 PolarHBondContact O-N 3.38Å; V220-V241 HydrophobicContact CG1-CG2 3.7Å
242	G	96.7	Very high	98.1	Very high	51 Å²	51	32.3 Å²	32.3	53%	0.526	18%	0.184	S	C	.	.	S	Bend	trans	66.1	-132.9	179.2	0	0	0	0	0	112.9	D216 V244	D216-G242 VanDerWaalsContact OD1-CA 3.31Å; D216-G242 WeakPolarHBondContact OD1-CA 3.31Å; G242-V244 PolarHBondContact O-N 3.19Å
243	T	96.3	Very high	98.1	Very high	112 Å²	112	36.3 Å²	36.3	69%	0.687	20%	0.199	S	C	*	.	S	Bend	trans	-91.1	90.3	-175.8	-52.1	0	0	0	0	111.5	D216 G217	D216-T243 PolarHBondContact OD1-N 3.23Å; G217-T243 WeakPolarHBondContact CA-O 3.26Å
244	V	97.2	Very high	98.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	20%	0.199	C	C	.	.			trans	-86.1	142.4	-178.4	-179	0	0	0	0	112.1	D218 I219 L240 G242 A248 K249	D218-V244 WeakPolarHBondContact O-CG2 3.27Å; I219-V244 HydrophobicContact CG2-CG1 3.88Å; L240-V244 HydrophobicContact CB-CB 4.42Å; L240-V244 HydrophobicContact CB-CG2 3.74Å; L240-V244 HydrophobicContact CD2-CB 4.3Å; L240-V244 HydrophobicContact CD2-CG1 4.11Å; L240-V244 HydrophobicContact CD2-CG2 4.2Å; L240-V244 HydrophobicContact CG-CG2 4.47Å; G242-V244 PolarHBondContact O-N 3.19Å; V244-A248 HydrophobicContact CG1-CB 3.28Å; V244-K249 HydrophobicContact CG1-CG 4.39Å; V244-K249 VanDerWaalsContact O-CE 3.27Å; V244-K249 WeakPolarHBondContact O-CE 3.49Å
245	S	97.4	Very high	98.1	Very high	65 Å²	65	36.1 Å²	36.1	46%	0.455	20%	0.198	S	C	.	.			trans	-61.8	153.2	177.4	72.5	0	0	0	0	113.2	Q247 A248 K249	S245-Q247 PolarHBondContact O-N 3.46Å; S245-A248 PolarHBondContact O-N 2.9Å; S245-A248 VanDerWaalsContact O-N 3.13Å; S245-A248 WeakPolarHBondContact OG-CB 3.44Å; S245-A248 PolarHBondContact OG-N 2.84Å; S245-K249 PolarHBondContact O-N 2.87Å
246	D	97.2	Very high	98.1	Very high	129 Å²	129	38.5 Å²	38.5	69%	0.69	21%	0.208	S	C	*	.	H	α-helix	trans	-59.3	-33.8	178.3	-68.1	-22.8	0	0	0	112.7	K249 Q250	D246-K249 PolarHBondContact O-N 2.95Å; D246-Q250 WeakPolarHBondContact O-CB 3.36Å; D246-Q250 PolarHBondContact O-N 3.45Å
247	Q	97.4	Very high	98.1	Very high	105 Å²	105	40.5 Å²	40.5	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-66.5	-42.3	177.3	-173.7	169.5	33.8	0	0	112.1	S245 Q250 L251	S245-Q247 PolarHBondContact O-N 3.46Å; Q247-Q250 PolarHBondContact O-N 3.04Å; Q247-L251 PolarHBondContact O-N 3.29Å
248	A	98.2	Very high	98.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-68.9	-40.6	175.7	0	0	0	0	0	111.4	I219 V244 S245 Q250 L251 V252 L356	I219-A248 HydrophobicContact CG2-CB 4.08Å; V244-A248 HydrophobicContact CG1-CB 3.28Å; S245-A248 PolarHBondContact O-N 2.9Å; S245-A248 VanDerWaalsContact O-N 3.13Å; S245-A248 WeakPolarHBondContact OG-CB 3.44Å; S245-A248 PolarHBondContact OG-N 2.84Å; A248-Q250 VanDerWaalsContact C-N 3.32Å; A248-Q250 PolarHBondContact O-N 3.16Å; A248-L251 PolarHBondContact O-N 3.15Å; A248-V252 VanDerWaalsContact O-CG2 3.3Å; A248-V252 WeakPolarHBondContact O-CG2 3.42Å; A248-V252 PolarHBondContact O-N 3.38Å; A248-L356 HydrophobicContact CB-CD1 3.62Å
249	K	98	Very high	98.1	Very high	71 Å²	71	40.3 Å²	40.3	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-57.7	-43.2	171.3	-71.7	178.3	-178.6	173.5	0	112.1	L240 V244 S245 D246 R253 F390	L240-K249 HydrophobicContact CD1-CG 4.11Å; V244-K249 HydrophobicContact CG1-CG 4.39Å; V244-K249 VanDerWaalsContact O-CE 3.27Å; V244-K249 WeakPolarHBondContact O-CE 3.49Å; S245-K249 PolarHBondContact O-N 2.87Å; D246-K249 PolarHBondContact O-N 2.95Å; K249-R253 WeakPolarHBondContact O-CB 3.13Å; K249-R253 PolarHBondContact O-N 3.43Å; K249-F390 HydrophobicContact CB-CE1 4.4Å; K249-F390 HydrophobicContact CB-CZ 4.03Å; K249-F390 HydrophobicContact CD-CE1 4.29Å; K249-F390 HydrophobicContact CD-CZ 4.17Å; K249-F390 HydrophobicContact CG-CZ 4.04Å
250	Q	98.1	Very high	98.1	Very high	78 Å²	78	41.1 Å²	41.1	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-44.4	176.7	-176.6	-179.7	0.7	0	0	111.7	D246 Q247 A248 R253 V254 F288	D246-Q250 WeakPolarHBondContact O-CB 3.36Å; D246-Q250 PolarHBondContact O-N 3.45Å; Q247-Q250 PolarHBondContact O-N 3.04Å; A248-Q250 VanDerWaalsContact C-N 3.32Å; A248-Q250 PolarHBondContact O-N 3.16Å; Q250-R253 PolarHBondContact O-N 2.82Å; Q250-V254 HydrophobicContact CG-CG2 4.29Å; Q250-V254 WeakPolarHBondContact O-CB 3.21Å; Q250-V254 VanDerWaalsContact O-CG2 3.28Å; Q250-V254 WeakPolarHBondContact O-CG2 3.19Å; Q250-V254 PolarHBondContact O-N 2.99Å; Q250-F288 HydrophobicContact CG-CE2 4.21Å; Q250-F288 HydrophobicContact CG-CZ 4.08Å
251	L	98.8	Very high	98.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-51.2	176.8	177.5	66.1	0	0	0	111.4	I219 Q247 A248 R253 V254 T255 F288 I333 Q335 L356 A358	I219-L251 HydrophobicContact CD1-CD2 4.24Å; Q247-L251 PolarHBondContact O-N 3.29Å; A248-L251 PolarHBondContact O-N 3.15Å; L251-R253 PolarHBondContact O-N 2.99Å; L251-V254 PolarHBondContact O-N 3.5Å; L251-T255 WeakPolarHBondContact O-CB 3.45Å; L251-T255 PolarHBondContact O-N 3.33Å; L251-T255 PolarHBondContact O-OG1 3.36Å; L251-F288 HydrophobicContact CB-CE1 4.4Å; L251-F288 HydrophobicContact CB-CE2 4.47Å; L251-F288 HydrophobicContact CB-CZ 4.03Å; L251-F288 HydrophobicContact CD1-CD1 3.95Å; L251-F288 HydrophobicContact CD1-CD2 4.13Å; L251-F288 HydrophobicContact CD1-CE1 3.98Å; L251-F288 HydrophobicContact CD1-CE2 4.18Å; L251-F288 HydrophobicContact CD1-CG 4.02Å; L251-F288 HydrophobicContact CD1-CZ 4.1Å; L251-I333 HydrophobicContact CD1-CB 4.5Å; L251-I333 HydrophobicContact CD1-CG2 3.99Å; L251-Q335 HydrophobicContact CD2-CB 4.29Å; L251-L356 HydrophobicContact CD2-CB 3.53Å; L251-A358 HydrophobicContact CD2-CB 4.21Å; L251-A358 HydrophobicContact CG-CB 3.98Å
252	V	98.7	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-48.9	180	173.6	0	0	0	0	110.6	I219 T238 L240 A248 V254 T255 Y256 A358 F360 F386	I219-V252 HydrophobicContact CB-CG2 4.49Å; I219-V252 HydrophobicContact CD1-CG2 4.24Å; I219-V252 HydrophobicContact CG2-CG2 4.03Å; T238-V252 HydrophobicContact CG2-CG2 3.79Å; L240-V252 HydrophobicContact CD2-CB 4.36Å; L240-V252 HydrophobicContact CD2-CG1 4.36Å; L240-V252 HydrophobicContact CD2-CG2 3.92Å; A248-V252 VanDerWaalsContact O-CG2 3.3Å; A248-V252 WeakPolarHBondContact O-CG2 3.42Å; A248-V252 PolarHBondContact O-N 3.38Å; V252-V254 PolarHBondContact O-N 2.99Å; V252-T255 WeakPolarHBondContact O-CB 3.37Å; V252-T255 PolarHBondContact O-N 3.34Å; V252-Y256 PolarHBondContact O-N 2.8Å; V252-Y256 VanDerWaalsContact O-N 3.09Å; V252-A358 HydrophobicContact CG2-CB 4.26Å; V252-F360 HydrophobicContact CG1-CE2 3.84Å; V252-F360 HydrophobicContact CG1-CZ 3.83Å; V252-F360 WeakPolarHBondContact O-CE2 3.41Å; V252-F386 HydrophobicContact CG1-CB 4.11Å; V252-F386 HydrophobicContact CG1-CD1 3.91Å; V252-F386 HydrophobicContact CG1-CD2 3.66Å; V252-F386 HydrophobicContact CG1-CE1 4.2Å; V252-F386 HydrophobicContact CG1-CE2 4.04Å; V252-F386 HydrophobicContact CG1-CG 3.63Å; V252-F386 HydrophobicContact CG1-CZ 4.29Å
253	R	98.5	Very high	98.2	Very high	88 Å²	88	40.9 Å²	40.9	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-50.4	177.7	-178.3	179.4	60.5	76.4	4.2	112.1	K249 Q250 L251 T255 Y256 E257 F386	K249-R253 WeakPolarHBondContact O-CB 3.13Å; K249-R253 PolarHBondContact O-N 3.43Å; Q250-R253 PolarHBondContact O-N 2.82Å; L251-R253 PolarHBondContact O-N 2.99Å; R253-T255 VanDerWaalsContact C-N 3.25Å; R253-T255 PolarHBondContact O-N 3.49Å; R253-Y256 PolarHBondContact O-N 2.75Å; R253-E257 HydrophobicContact CG-CG 4.42Å; R253-E257 WeakPolarHBondContact CG-OE1 3.3Å; R253-E257 IonicContact CZ-OE1 2.63Å; R253-E257 IonicContact CZ-OE2 2.84Å; R253-E257 IonicContact NH1-OE1 3.23Å; R253-E257 PolarHBondContact NH1-OE1 3.18Å; R253-E257 IonicContact NH1-OE2 3.46Å; R253-E257 PolarHBondContact NH1-OE2 2.95Å; R253-E257 WeakPolarHBondContact O-CG 3.31Å; R253-E257 PolarHBondContact O-N 3.27Å; R253-F386 HydrophobicContact CB-CE2 4.14Å; R253-F386 HydrophobicContact CB-CZ 4.46Å
254	V	98.7	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-32.4	-178.6	171.2	0	0	0	0	111.5	Q250 L251 V252 E257 C258 Y282 H286 F288	Q250-V254 HydrophobicContact CG-CG2 4.29Å; Q250-V254 WeakPolarHBondContact O-CB 3.21Å; Q250-V254 VanDerWaalsContact O-CG2 3.28Å; Q250-V254 WeakPolarHBondContact O-CG2 3.19Å; Q250-V254 PolarHBondContact O-N 2.99Å; L251-V254 PolarHBondContact O-N 3.5Å; V252-V254 PolarHBondContact O-N 2.99Å; V254-E257 PolarHBondContact O-N 3.3Å; V254-C258 PolarHBondContact O-N 2.83Å; V254-C258 PolarHBondContact O-SG 2.98Å; V254-Y282 HydrophobicContact CG1-CD1 4.06Å; V254-Y282 HydrophobicContact CG1-CE1 4.1Å; V254-H286 HydrophobicContact CG1-CB 3.9Å; V254-H286 HydrophobicContact CG2-CB 3.94Å; V254-F288 HydrophobicContact CB-CD2 3.96Å; V254-F288 HydrophobicContact CB-CE2 3.78Å; V254-F288 HydrophobicContact CG1-CD2 3.7Å; V254-F288 HydrophobicContact CG1-CE2 4.04Å; V254-F288 HydrophobicContact CG2-CD2 4.4Å; V254-F288 HydrophobicContact CG2-CE2 3.91Å
255	T	98.9	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-47.7	175.2	-55.2	0	0	0	0	111.2	L251 V252 R253 E257 C258 L259 P331 I333 A358 F360	L251-T255 WeakPolarHBondContact O-CB 3.45Å; L251-T255 PolarHBondContact O-N 3.33Å; L251-T255 PolarHBondContact O-OG1 3.36Å; V252-T255 WeakPolarHBondContact O-CB 3.37Å; V252-T255 PolarHBondContact O-N 3.34Å; R253-T255 VanDerWaalsContact C-N 3.25Å; R253-T255 PolarHBondContact O-N 3.49Å; T255-E257 VanDerWaalsContact C-N 3.35Å; T255-E257 PolarHBondContact O-N 3.23Å; T255-C258 WeakPolarHBondContact O-CB 3.42Å; T255-C258 PolarHBondContact O-N 2.99Å; T255-L259 PolarHBondContact O-N 2.88Å; T255-L259 VanDerWaalsContact O-N 3.17Å; T255-P331 WeakPolarHBondContact CG2-O 3.17Å; T255-I333 HydrophobicContact CG2-CB 4.18Å; T255-I333 HydrophobicContact CG2-CG1 3.85Å; T255-I333 WeakPolarHBondContact OG1-CB 3.23Å; T255-A358 HydrophobicContact CG2-CB 4.22Å; T255-A358 WeakPolarHBondContact CG2-O 3.39Å; T255-F360 HydrophobicContact CG2-CD2 3.8Å
256	Y	98.7	Very high	98.5	Very high	51 Å²	51	41.5 Å²	41.5	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-42.6	174	172.6	-109.3	0	0	0	112	V252 R253 C258 L259 A260 F360 P384 F386 M387	V252-Y256 PolarHBondContact O-N 2.8Å; V252-Y256 VanDerWaalsContact O-N 3.09Å; R253-Y256 PolarHBondContact O-N 2.75Å; Y256-C258 VanDerWaalsContact C-N 3.31Å; Y256-C258 PolarHBondContact O-N 2.69Å; Y256-L259 WeakPolarHBondContact O-CB 3.48Å; Y256-L259 PolarHBondContact O-N 3.37Å; Y256-A260 WeakPolarHBondContact O-CB 3.22Å; Y256-A260 PolarHBondContact O-N 3.04Å; Y256-F360 HydrophobicContact CD2-CD1 4.13Å; Y256-F360 HydrophobicContact CD2-CG 4.32Å; Y256-P384 HydrophobicContact CD1-CG 4.09Å; Y256-P384 HydrophobicContact CD2-CB 4.34Å; Y256-P384 HydrophobicContact CD2-CG 3.72Å; Y256-P384 HydrophobicContact CE1-CG 4.01Å; Y256-P384 HydrophobicContact CE2-CB 4.32Å; Y256-P384 HydrophobicContact CE2-CG 3.64Å; Y256-P384 HydrophobicContact CG-CG 3.94Å; Y256-P384 VanDerWaalsContact CZ-CD 3.44Å; Y256-F386 HydrophobicContact CD1-CE1 4.23Å; Y256-F386 HydrophobicContact CD1-CZ 4.15Å; Y256-F386 AromaticContact CG-CE1 3.93Å; Y256-F386 HydrophobicContact CG-CE1 3.93Å; Y256-F386 HydrophobicContact CG-CZ 4.2Å; Y256-M387 HydrophobicContact CD1-SD 4.32Å; Y256-M387 HydrophobicContact CE1-SD 4Å
257	E	98.7	Very high	98.6	Very high	41 Å²	41	40.7 Å²	40.7	19%	0.192	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-36.9	175.9	-70.9	166.1	168.9	0	0	112	R253 V254 T255 A260 E261 Y282	R253-E257 HydrophobicContact CG-CG 4.42Å; R253-E257 WeakPolarHBondContact CG-OE1 3.3Å; R253-E257 IonicContact CZ-OE1 2.63Å; R253-E257 IonicContact CZ-OE2 2.84Å; R253-E257 IonicContact NH1-OE1 3.23Å; R253-E257 PolarHBondContact NH1-OE1 3.18Å; R253-E257 IonicContact NH1-OE2 3.46Å; R253-E257 PolarHBondContact NH1-OE2 2.95Å; R253-E257 WeakPolarHBondContact O-CG 3.31Å; R253-E257 PolarHBondContact O-N 3.27Å; V254-E257 PolarHBondContact O-N 3.3Å; T255-E257 VanDerWaalsContact C-N 3.35Å; T255-E257 PolarHBondContact O-N 3.23Å; E257-A260 PolarHBondContact O-N 2.76Å; E257-E261 WeakPolarHBondContact O-CB 3.32Å; E257-E261 WeakPolarHBondContact O-CG 3.2Å; E257-E261 PolarHBondContact O-N 2.94Å; E257-Y282 HydrophobicContact CB-CD1 4.27Å; E257-Y282 HydrophobicContact CB-CE1 3.41Å; E257-Y282 VanDerWaalsContact CB-CE1 3.41Å; E257-Y282 VanDerWaalsContact CD-OH 3.29Å; E257-Y282 HydrophobicContact CG-CE1 4.38Å; E257-Y282 WeakPolarHBondContact OE2-CE1 3.39Å; E257-Y282 PolarHBondContact OE2-OH 3.4Å
258	C	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-46.1	172.9	-71.8	0	0	0	0	112	V254 T255 Y256 A262 I279	V254-C258 PolarHBondContact O-N 2.83Å; V254-C258 PolarHBondContact O-SG 2.98Å; T255-C258 WeakPolarHBondContact O-CB 3.42Å; T255-C258 PolarHBondContact O-N 2.99Å; Y256-C258 VanDerWaalsContact C-N 3.31Å; Y256-C258 PolarHBondContact O-N 2.69Å; C258-A262 WeakPolarHBondContact O-CB 3.28Å; C258-A262 PolarHBondContact O-N 3.22Å; C258-A262 VanDerWaalsContact O-N 3.1Å; C258-I279 HydrophobicContact CB-CG2 4.1Å
259	L	98.8	Very high	98.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-48.6	174.6	173.7	61.5	0	0	0	110.7	T255 Y256 E261 A262 I263 I329 P331 F360	T255-L259 PolarHBondContact O-N 2.88Å; T255-L259 VanDerWaalsContact O-N 3.17Å; Y256-L259 WeakPolarHBondContact O-CB 3.48Å; Y256-L259 PolarHBondContact O-N 3.37Å; L259-E261 PolarHBondContact O-N 3.08Å; L259-A262 WeakPolarHBondContact O-CB 3.28Å; L259-A262 PolarHBondContact O-N 3.16Å; L259-A262 VanDerWaalsContact O-N 3.16Å; L259-I263 HydrophobicContact CD1-CD1 3.81Å; L259-I263 HydrophobicContact CD1-CG1 4.1Å; L259-I263 HydrophobicContact CG-CD1 3.83Å; L259-I263 HydrophobicContact CG-CG1 4.48Å; L259-I263 WeakPolarHBondContact O-CG1 3.32Å; L259-I263 PolarHBondContact O-N 3.34Å; L259-I329 HydrophobicContact CD1-CB 3.73Å; L259-I329 HydrophobicContact CD1-CG2 3.58Å; L259-I329 VanDerWaalsContact CD1-O 3.23Å; L259-I329 WeakPolarHBondContact CD1-O 3.43Å; L259-P331 HydrophobicContact CB-CG 3.92Å; L259-F360 HydrophobicContact CB-CB 4.46Å; L259-F360 HydrophobicContact CD2-CB 3.62Å
260	A	98.6	Very high	98.7	Very high	28 Å²	28	38.3 Å²	38.3	23%	0.231	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-42.7	-178.9	0	0	0	0	0	112.5	Y256 E257 A262 I263 K264	Y256-A260 WeakPolarHBondContact O-CB 3.22Å; Y256-A260 PolarHBondContact O-N 3.04Å; E257-A260 PolarHBondContact O-N 2.76Å; A260-A262 VanDerWaalsContact C-N 3.33Å; A260-A262 PolarHBondContact O-N 3.1Å; A260-I263 PolarHBondContact O-N 3Å; A260-K264 WeakPolarHBondContact O-CG 3.06Å; A260-K264 PolarHBondContact O-N 3.25Å
261	E	98.7	Very high	98.7	Very high	60 Å²	60	38.9 Å²	38.9	28%	0.28	20%	0.198	S	C	.	.	H	α-helix	trans	-64	-37.5	174.6	-71	-55.4	139.7	0	0	112.3	E257 L259 K264 V278 Y282	E257-E261 WeakPolarHBondContact O-CB 3.32Å; E257-E261 WeakPolarHBondContact O-CG 3.2Å; E257-E261 PolarHBondContact O-N 2.94Å; L259-E261 PolarHBondContact O-N 3.08Å; E261-K264 VanDerWaalsContact CD-NZ 3.33Å; E261-K264 PolarHBondContact O-N 2.94Å; E261-K264 IonicContact OE1-NZ 3.84Å; E261-K264 PolarHBondContact OE1-NZ 2.95Å; E261-K264 IonicContact OE2-NZ 2.69Å; E261-K264 PolarHBondContact OE2-NZ 3.17Å; E261-V278 HydrophobicContact CB-CG1 3.76Å; E261-Y282 HydrophobicContact CG-CD2 3.73Å; E261-Y282 HydrophobicContact CG-CE2 3.87Å; E261-Y282 HydrophobicContact CG-CG 4.39Å
262	A	98.8	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-42.1	176	0	0	0	0	0	112.3	C258 L259 A260 K264 I265 I275 I279 I329	C258-A262 WeakPolarHBondContact O-CB 3.28Å; C258-A262 PolarHBondContact O-N 3.22Å; C258-A262 VanDerWaalsContact O-N 3.1Å; L259-A262 WeakPolarHBondContact O-CB 3.28Å; L259-A262 PolarHBondContact O-N 3.16Å; L259-A262 VanDerWaalsContact O-N 3.16Å; A260-A262 VanDerWaalsContact C-N 3.33Å; A260-A262 PolarHBondContact O-N 3.1Å; A262-K264 VanDerWaalsContact C-N 3.27Å; A262-K264 PolarHBondContact O-N 2.93Å; A262-I265 WeakPolarHBondContact O-CG1 3.2Å; A262-I265 PolarHBondContact O-N 2.88Å; A262-I275 HydrophobicContact CB-CG2 4.22Å; A262-I279 HydrophobicContact CB-CD1 3.88Å; A262-I279 HydrophobicContact CB-CG1 3.76Å; A262-I329 HydrophobicContact CB-CD1 4.18Å; A262-I329 HydrophobicContact CB-CG2 4.09Å
263	I	98.8	Very high	98.7	Very high	22 Å²	22	44 Å²	44	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-36	178.7	-69.8	170.9	0	0	0	111.2	L259 A260 I265 V266 I329 H362 L364 I373	L259-I263 HydrophobicContact CD1-CD1 3.81Å; L259-I263 HydrophobicContact CD1-CG1 4.1Å; L259-I263 HydrophobicContact CG-CD1 3.83Å; L259-I263 HydrophobicContact CG-CG1 4.48Å; L259-I263 WeakPolarHBondContact O-CG1 3.32Å; L259-I263 PolarHBondContact O-N 3.34Å; A260-I263 PolarHBondContact O-N 3Å; I263-I265 PolarHBondContact O-N 2.84Å; I263-V266 WeakPolarHBondContact O-CB 3.42Å; I263-V266 PolarHBondContact O-N 2.89Å; I263-I329 HydrophobicContact CG1-CD1 4.49Å; I263-H362 HydrophobicContact CD1-CB 4.45Å; I263-L364 HydrophobicContact CD1-CD2 4.09Å; I263-L364 HydrophobicContact CG1-CD1 3.99Å; I263-L364 HydrophobicContact CG1-CD2 4.13Å; I263-I373 HydrophobicContact CD1-CD1 4.25Å; I263-I373 HydrophobicContact CG2-CD1 4.09Å; I263-I373 HydrophobicContact CG2-CG1 4.21Å
264	K	98.7	Very high	98.7	Very high	144 Å²	144	44 Å²	44	63%	0.626	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.8	179.7	-70.6	171.8	-168.8	177.3	0	114.6	A260 E261 A262	A260-K264 WeakPolarHBondContact O-CG 3.06Å; A260-K264 PolarHBondContact O-N 3.25Å; E261-K264 VanDerWaalsContact CD-NZ 3.33Å; E261-K264 PolarHBondContact O-N 2.94Å; E261-K264 IonicContact OE1-NZ 3.84Å; E261-K264 PolarHBondContact OE1-NZ 2.95Å; E261-K264 IonicContact OE2-NZ 2.69Å; E261-K264 PolarHBondContact OE2-NZ 3.17Å; A262-K264 VanDerWaalsContact C-N 3.27Å; A262-K264 PolarHBondContact O-N 2.93Å
265	I	98.7	Very high	98.7	Very high	48 Å²	48	44 Å²	44	25%	0.246	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.2	180	68.9	154.6	0	0	0	113.4	A262 I263 K267 T270 E274 I275 V278	A262-I265 WeakPolarHBondContact O-CG1 3.2Å; A262-I265 PolarHBondContact O-N 2.88Å; I263-I265 PolarHBondContact O-N 2.84Å; I265-K267 PolarHBondContact O-N 3.17Å; I265-T270 HydrophobicContact CD1-CG2 4.07Å; I265-T270 WeakPolarHBondContact O-CG2 3.21Å; I265-T270 PolarHBondContact O-OG1 3.18Å; I265-E274 HydrophobicContact CD1-CB 3.95Å; I265-I275 HydrophobicContact CD1-CG1 4.37Å; I265-V278 HydrophobicContact CD1-CG2 3.86Å; I265-V278 HydrophobicContact CG1-CG2 4.46Å; I265-V278 HydrophobicContact CG2-CG2 4.26Å
266	V	98.9	Very high	98.7	Very high	4 Å²	4	44 Å²	44	2%	0.024	22%	0.221	C	C	.	.			trans	-75.5	109.9	-176.5	-177.9	0	0	0	0	109.8	I263 M321 F327 I329 L364 V366 G370 C371	I263-V266 WeakPolarHBondContact O-CB 3.42Å; I263-V266 PolarHBondContact O-N 2.89Å; V266-M321 HydrophobicContact CB-SD 4.28Å; V266-M321 HydrophobicContact CG1-SD 3.84Å; V266-M321 HydrophobicContact CG2-CE 4.3Å; V266-M321 HydrophobicContact CG2-SD 4.47Å; V266-F327 HydrophobicContact CG1-CE1 4.07Å; V266-F327 HydrophobicContact CG1-CZ 3.76Å; V266-F327 HydrophobicContact CG2-CZ 4.14Å; V266-I329 HydrophobicContact CG2-CD1 3.89Å; V266-L364 HydrophobicContact CG1-CD1 4.46Å; V266-L364 HydrophobicContact CG2-CD1 3.98Å; V266-V366 HydrophobicContact CG1-CG2 4.07Å; V266-G370 CarbonylContact O-C 3.59Å; V266-G370 WeakPolarHBondContact O-CA 3.44Å; V266-C371 HydrophobicContact CB-CB 4.16Å; V266-C371 HydrophobicContact CG1-CB 3.61Å
267	K	98.8	Very high	98.7	Very high	111 Å²	111	42.9 Å²	42.9	48%	0.483	23%	0.225	S	C	.	.	S	Bend	trans	-165.4	163.6	176.1	63.7	-175.7	177.7	-176.6	0	110.1	I265 G269 T270 M321	I265-K267 PolarHBondContact O-N 3.17Å; K267-G269 PolarHBondContact O-N 2.79Å; K267-T270 WeakPolarHBondContact O-CB 3.5Å; K267-T270 PolarHBondContact O-N 3.44Å; K267-T270 PolarHBondContact O-OG1 3.16Å; K267-M321 WeakPolarHBondContact O-CB 3.24Å
268	P	98.7	Very high	98.7	Very high	48 Å²	48	42.8 Å²	42.8	31%	0.312	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.1	176.5	-27.8	36.5	0	0	0	112.5	M321 V366 T367	P268-M321 WeakPolarHBondContact CA-O 3.46Å; P268-V366 HydrophobicContact CG-CG1 3.89Å; P268-T367 WeakPolarHBondContact CD-O 3.24Å; P268-T367 WeakPolarHBondContact CG-O 3.49Å
269	G	98.5	Very high	98.7	Very high	56 Å²	56	42.8 Å²	42.8	58%	0.577	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-16.7	-179.5	0	0	0	0	0	115.4	K267 V320 M321	K267-G269 PolarHBondContact O-N 2.79Å; G269-V320 VanDerWaalsContact CA-CG1 3.49Å; G269-V320 WeakPolarHBondContact O-CG1 3.25Å; G269-M321 PolarHBondContact N-O 3.08Å
270	T	98.6	Very high	98.7	Very high	23 Å²	23	43 Å²	43	14%	0.141	23%	0.228	C	C	.	.			trans	-70.1	137	172.3	-60.8	0	0	0	0	110.3	I265 K267 E274 M321	I265-T270 HydrophobicContact CD1-CG2 4.07Å; I265-T270 WeakPolarHBondContact O-CG2 3.21Å; I265-T270 PolarHBondContact O-OG1 3.18Å; K267-T270 WeakPolarHBondContact O-CB 3.5Å; K267-T270 PolarHBondContact O-N 3.44Å; K267-T270 PolarHBondContact O-OG1 3.16Å; T270-E274 HydrophobicContact CG2-CB 4.44Å; T270-M321 HydrophobicContact CG2-CE 4.05Å; T270-M321 HydrophobicContact CG2-SD 4.02Å; T270-M321 WeakPolarHBondContact O-CB 3.37Å; T270-M321 WeakPolarHBondContact O-CG 3.29Å; T270-M321 PolarHBondContact O-N 3.05Å
271	K	98.6	Very high	98.7	Very high	90 Å²	90	49.6 Å²	49.6	39%	0.391	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-81.6	139	175.3	-64.3	171	-179.9	173	0	110	R273 E274 V320	K271-R273 HydrophobicContact CB-CG 4.01Å; K271-R273 PolarHBondContact O-N 3.06Å; K271-R273 VanDerWaalsContact O-N 3.17Å; K271-E274 HydrophobicContact CB-CG 4.05Å; K271-E274 WeakPolarHBondContact O-CB 3.5Å; K271-E274 WeakPolarHBondContact O-CG 3.42Å; K271-E274 PolarHBondContact O-N 2.87Å; K271-V320 HydrophobicContact CG-CG2 4.07Å
272	Y	98.7	Very high	98.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.6	178.3	-74.8	-76.5	0	0	0	113.2	I131 E274 I275 P307 V309 G319 M321 H325 F327	I131-Y272 HydrophobicContact CD1-CD2 4.05Å; I131-Y272 HydrophobicContact CD1-CE2 3.42Å; I131-Y272 VanDerWaalsContact CD1-CE2 3.42Å; Y272-E274 PolarHBondContact O-N 2.79Å; Y272-E274 VanDerWaalsContact O-N 3.13Å; Y272-I275 HydrophobicContact CD1-CD1 4.4Å; Y272-I275 WeakPolarHBondContact O-CB 3.41Å; Y272-I275 PolarHBondContact O-N 3.08Å; Y272-P307 HydrophobicContact CD1-CB 4.15Å; Y272-P307 HydrophobicContact CD1-CG 3.78Å; Y272-P307 HydrophobicContact CD2-CB 3.97Å; Y272-P307 HydrophobicContact CD2-CG 4.17Å; Y272-P307 HydrophobicContact CE1-CB 4.26Å; Y272-P307 HydrophobicContact CE1-CG 3.47Å; Y272-P307 VanDerWaalsContact CE1-CG 3.47Å; Y272-P307 HydrophobicContact CE2-CB 4.11Å; Y272-P307 HydrophobicContact CE2-CG 3.91Å; Y272-P307 HydrophobicContact CG-CB 4.01Å; Y272-P307 HydrophobicContact CG-CG 4.12Å; Y272-V309 HydrophobicContact CD1-CG2 3.81Å; Y272-V309 HydrophobicContact CE1-CG2 4.43Å; Y272-G319 PolarHBondContact N-O 3.36Å; Y272-M321 HydrophobicContact CD1-CE 3.92Å; Y272-M321 HydrophobicContact CD1-CG 4.25Å; Y272-M321 HydrophobicContact CD2-CG 4.49Å; Y272-M321 HydrophobicContact CE1-CE 4.1Å; Y272-M321 HydrophobicContact CE1-CG 3.77Å; Y272-M321 HydrophobicContact CE2-CG 4.01Å; Y272-H325 AromaticContact CZ-ND1 3.87Å; Y272-H325 WeakPolarHBondContact OH-CB 3.42Å; Y272-H325 PolarHBondContact OH-ND1 3.1Å; Y272-F327 HydrophobicContact CD1-CD2 4.34Å; Y272-F327 HydrophobicContact CD1-CE2 4.22Å; Y272-F327 HydrophobicContact CD1-CZ 4.44Å; Y272-F327 AromaticContact CE1-CD1 3.76Å; Y272-F327 HydrophobicContact CE1-CD1 3.76Å; Y272-F327 AromaticContact CE1-CD2 3.88Å; Y272-F327 HydrophobicContact CE1-CD2 3.88Å; Y272-F327 AromaticContact CE1-CE1 3.75Å; Y272-F327 HydrophobicContact CE1-CE1 3.75Å; Y272-F327 AromaticContact CE1-CE2 3.86Å; Y272-F327 HydrophobicContact CE1-CE2 3.86Å; Y272-F327 AromaticContact CE1-CG 3.82Å; Y272-F327 HydrophobicContact CE1-CG 3.82Å; Y272-F327 AromaticContact CE1-CZ 3.8Å; Y272-F327 HydrophobicContact CE1-CZ 3.8Å
273	R	98.5	Very high	98.7	Very high	109 Å²	109	49.4 Å²	49.4	41%	0.411	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.2	178.6	72.1	-174.1	-172.2	-177.7	5.1	115.1	K271 I275 N315 A317	K271-R273 HydrophobicContact CB-CG 4.01Å; K271-R273 PolarHBondContact O-N 3.06Å; K271-R273 VanDerWaalsContact O-N 3.17Å; R273-I275 VanDerWaalsContact C-N 3.29Å; R273-N315 VanDerWaalsContact CA-OD1 3.25Å; R273-N315 WeakPolarHBondContact CA-OD1 3.35Å; R273-N315 WeakPolarHBondContact CB-OD1 3.41Å; R273-N315 PolarHBondContact O-ND2 2.81Å; R273-A317 HydrophobicContact CB-CB 4.01Å
274	E	98.7	Very high	98.7	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	27%	0.27	S	S	.	.	H	α-helix	trans	-72	-26.1	-179.8	-54.6	-55.2	142.3	0	0	111.8	I265 T270 K271 Y272 G276 G277 V278	I265-E274 HydrophobicContact CD1-CB 3.95Å; T270-E274 HydrophobicContact CG2-CB 4.44Å; K271-E274 HydrophobicContact CB-CG 4.05Å; K271-E274 WeakPolarHBondContact O-CB 3.5Å; K271-E274 WeakPolarHBondContact O-CG 3.42Å; K271-E274 PolarHBondContact O-N 2.87Å; Y272-E274 PolarHBondContact O-N 2.79Å; Y272-E274 VanDerWaalsContact O-N 3.13Å; E274-G276 PolarHBondContact O-N 3.32Å; E274-G277 WeakPolarHBondContact O-CA 3.31Å; E274-G277 PolarHBondContact O-N 2.95Å; E274-V278 PolarHBondContact O-N 2.62Å
275	I	98.8	Very high	98.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-53.8	-52.7	-180	-74.1	167.8	0	0	0	111	A262 I265 Y272 R273 G277 V278 I279 V309 M321 F327 I329	A262-I275 HydrophobicContact CB-CG2 4.22Å; I265-I275 HydrophobicContact CD1-CG1 4.37Å; Y272-I275 HydrophobicContact CD1-CD1 4.4Å; Y272-I275 WeakPolarHBondContact O-CB 3.41Å; Y272-I275 PolarHBondContact O-N 3.08Å; R273-I275 VanDerWaalsContact C-N 3.29Å; I275-G277 PolarHBondContact O-N 3.26Å; I275-V278 PolarHBondContact O-N 3.34Å; I275-V278 VanDerWaalsContact O-N 3.11Å; I275-I279 HydrophobicContact CG2-CD1 3.54Å; I275-I279 PolarHBondContact O-N 3.25Å; I275-I279 VanDerWaalsContact O-N 3.08Å; I275-V309 HydrophobicContact CB-CG1 4.1Å; I275-V309 HydrophobicContact CD1-CG1 3.45Å; I275-V309 VanDerWaalsContact CD1-CG1 3.45Å; I275-V309 HydrophobicContact CG1-CG1 4.37Å; I275-V309 HydrophobicContact CG2-CG1 3.92Å; I275-M321 HydrophobicContact CD1-CE 3.5Å; I275-M321 HydrophobicContact CG1-CE 4.05Å; I275-F327 HydrophobicContact CD1-CE2 3.79Å; I275-F327 HydrophobicContact CD1-CZ 4.37Å; I275-I329 HydrophobicContact CD1-CD1 3.65Å; I275-I329 HydrophobicContact CD1-CG1 4.07Å; I275-I329 HydrophobicContact CG1-CD1 4.12Å; I275-I329 HydrophobicContact CG2-CD1 4.24Å; I275-I329 HydrophobicContact CG2-CG1 4.5Å; I275-I329 HydrophobicContact CG2-CG2 4.12Å
276	G	98.7	Very high	98.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-23.4	-179.5	0	0	0	0	0	114.4	E274 E280 P310 H311 Y312 S313	E274-G276 PolarHBondContact O-N 3.32Å; G276-E280 WeakPolarHBondContact O-CB 3.14Å; G276-E280 PolarHBondContact O-N 3.49Å; G276-P310 WeakPolarHBondContact CA-O 3.47Å; G276-P310 PolarHBondContact N-O 2.68Å; G276-H311 WeakPolarHBondContact CA-O 3.4Å; G276-Y312 VanDerWaalsContact C-C 3.49Å; G276-Y312 CarbonylContact C-O 3.55Å; G276-Y312 WeakPolarHBondContact CA-O 3.4Å; G276-Y312 CarbonylContact O-C 3.45Å; G276-Y312 VanDerWaalsContact O-C 3.28Å; G276-S313 PolarHBondContact O-N 2.88Å; G276-S313 VanDerWaalsContact O-N 3.15Å
277	G	98.4	Very high	98.6	Very high	28 Å²	28	55.8 Å²	55.8	29%	0.289	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-40.5	172.2	0	0	0	0	0	112.7	E274 I275 K281	E274-G277 WeakPolarHBondContact O-CA 3.31Å; E274-G277 PolarHBondContact O-N 2.95Å; I275-G277 PolarHBondContact O-N 3.26Å; G277-K281 VanDerWaalsContact O-CB 3.28Å; G277-K281 WeakPolarHBondContact O-CB 3.32Å; G277-K281 PolarHBondContact O-N 3.49Å
278	V	98.8	Very high	98.6	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-49.6	176.6	174.9	0	0	0	0	110.7	E261 I265 E274 I275 K281 Y282	E261-V278 HydrophobicContact CB-CG1 3.76Å; I265-V278 HydrophobicContact CD1-CG2 3.86Å; I265-V278 HydrophobicContact CG1-CG2 4.46Å; I265-V278 HydrophobicContact CG2-CG2 4.26Å; E274-V278 PolarHBondContact O-N 2.62Å; I275-V278 PolarHBondContact O-N 3.34Å; I275-V278 VanDerWaalsContact O-N 3.11Å; V278-K281 PolarHBondContact O-N 2.93Å; V278-Y282 PolarHBondContact O-N 3.09Å
279	I	98.9	Very high	98.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-55.1	-178.1	-68.5	164.5	0	0	0	111.3	C258 A262 I275 K281 Y282 A283 V290 H311 I329 P331 I333	C258-I279 HydrophobicContact CB-CG2 4.1Å; A262-I279 HydrophobicContact CB-CD1 3.88Å; A262-I279 HydrophobicContact CB-CG1 3.76Å; I275-I279 HydrophobicContact CG2-CD1 3.54Å; I275-I279 PolarHBondContact O-N 3.25Å; I275-I279 VanDerWaalsContact O-N 3.08Å; I279-K281 VanDerWaalsContact C-N 3.26Å; I279-K281 PolarHBondContact O-N 3.48Å; I279-Y282 PolarHBondContact O-N 3.17Å; I279-Y282 VanDerWaalsContact O-N 3.1Å; I279-A283 PolarHBondContact O-N 3.23Å; I279-V290 HydrophobicContact CG2-CG1 4.28Å; I279-V290 HydrophobicContact CG2-CG2 4.21Å; I279-H311 WeakPolarHBondContact CB-O 3.41Å; I279-H311 HydrophobicContact CD1-CB 4.03Å; I279-H311 HydrophobicContact CG2-CB 4.24Å; I279-H311 WeakPolarHBondContact CG2-O 3.43Å; I279-I329 HydrophobicContact CD1-CG2 4.06Å; I279-P331 HydrophobicContact CD1-CB 4.17Å; I279-P331 HydrophobicContact CD1-CG 4.44Å; I279-P331 HydrophobicContact CG2-CB 3.99Å; I279-I333 HydrophobicContact CG2-CD1 4.03Å
280	E	98.7	Very high	98.6	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.023	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-30.7	-175.2	-171.8	173	-153.7	0	0	112.3	G276 R284 V290 R292 S313	G276-E280 WeakPolarHBondContact O-CB 3.14Å; G276-E280 PolarHBondContact O-N 3.49Å; E280-R284 HydrophobicContact CG-CG 4.1Å; E280-R284 VanDerWaalsContact CG-NE 3.34Å; E280-R284 WeakPolarHBondContact O-CB 3.49Å; E280-R284 WeakPolarHBondContact O-CG 3.46Å; E280-R284 PolarHBondContact O-N 2.69Å; E280-R284 VanDerWaalsContact O-N 3.08Å; E280-R284 IonicContact OE1-CZ 3.87Å; E280-R284 VanDerWaalsContact OE1-CZ 3.25Å; E280-R284 IonicContact OE1-NE 3.78Å; E280-R284 PolarHBondContact OE1-NE 2.93Å; E280-R284 VanDerWaalsContact OE1-NE 3.12Å; E280-R284 IonicContact OE1-NH2 2.86Å; E280-R284 PolarHBondContact OE1-NH2 3.35Å; E280-V290 HydrophobicContact CB-CG2 3.89Å; E280-V290 HydrophobicContact CG-CG2 3.93Å; E280-R292 IonicContact OE1-NH2 2.76Å; E280-R292 PolarHBondContact OE1-NH2 3.03Å; E280-S313 WeakPolarHBondContact OE2-CA 3.28Å; E280-S313 WeakPolarHBondContact OE2-CB 3.39Å; E280-S313 PolarHBondContact OE2-N 3.28Å; E280-S313 PolarHBondContact OE2-OG 3.38Å
281	K	98.6	Very high	98.6	Very high	168 Å²	168	46.3 Å²	46.3	73%	0.73	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-45.9	173	-177	-177.5	176.3	-172.8	0	111.3	G277 V278 I279 S285	G277-K281 VanDerWaalsContact O-CB 3.28Å; G277-K281 WeakPolarHBondContact O-CB 3.32Å; G277-K281 PolarHBondContact O-N 3.49Å; V278-K281 PolarHBondContact O-N 2.93Å; I279-K281 VanDerWaalsContact C-N 3.26Å; I279-K281 PolarHBondContact O-N 3.48Å; K281-S285 PolarHBondContact O-N 3.42Å
282	Y	98.7	Very high	98.6	Very high	56 Å²	56	46.1 Å²	46.1	22%	0.22	24%	0.235	C	C	.	.	H	α-helix	trans	-70.8	-43.4	-178.1	-163.2	-83	0	0	0	112.7	V254 E257 E261 V278 I279 S285 H286	V254-Y282 HydrophobicContact CG1-CD1 4.06Å; V254-Y282 HydrophobicContact CG1-CE1 4.1Å; E257-Y282 HydrophobicContact CB-CD1 4.27Å; E257-Y282 HydrophobicContact CB-CE1 3.41Å; E257-Y282 VanDerWaalsContact CB-CE1 3.41Å; E257-Y282 VanDerWaalsContact CD-OH 3.29Å; E257-Y282 HydrophobicContact CG-CE1 4.38Å; E257-Y282 WeakPolarHBondContact OE2-CE1 3.39Å; E257-Y282 PolarHBondContact OE2-OH 3.4Å; E261-Y282 HydrophobicContact CG-CD2 3.73Å; E261-Y282 HydrophobicContact CG-CE2 3.87Å; E261-Y282 HydrophobicContact CG-CG 4.39Å; V278-Y282 PolarHBondContact O-N 3.09Å; I279-Y282 PolarHBondContact O-N 3.17Å; I279-Y282 VanDerWaalsContact O-N 3.1Å; Y282-S285 PolarHBondContact O-N 3.48Å; Y282-S285 PolarHBondContact O-OG 2.98Å; Y282-H286 AromaticContact CD1-CE1 3.91Å; Y282-H286 AromaticContact CD1-ND1 3.79Å; Y282-H286 AromaticContact CE1-CE1 3.34Å; Y282-H286 WeakPolarHBondContact CE1-CE1 3.44Å; Y282-H286 AromaticContact CE1-ND1 3.63Å; Y282-H286 AromaticContact CZ-CE1 3.58Å; Y282-H286 PolarHBondContact O-ND1 3.23Å
283	A	98.8	Very high	98.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-46.8	176.8	0	0	0	0	0	111.4	I279 S285 H286 G287 F288 V290 I333	I279-A283 PolarHBondContact O-N 3.23Å; A283-S285 VanDerWaalsContact C-N 3.35Å; A283-S285 PolarHBondContact O-N 2.73Å; A283-H286 PolarHBondContact O-N 3.25Å; A283-H286 VanDerWaalsContact O-N 3.1Å; A283-G287 PolarHBondContact O-N 3.17Å; A283-F288 HydrophobicContact CB-CB 4.49Å; A283-F288 PolarHBondContact O-N 2.92Å; A283-V290 HydrophobicContact CB-CG2 3.81Å; A283-I333 HydrophobicContact CB-CD1 3.89Å; A283-I333 HydrophobicContact CB-CG2 4.25Å
284	R	98.3	Very high	98.5	Very high	145 Å²	145	45.9 Å²	45.9	55%	0.547	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-33.8	179.9	-74.2	179.7	178.1	-151.3	2.6	113.2	E280 H286 G287	E280-R284 HydrophobicContact CG-CG 4.1Å; E280-R284 VanDerWaalsContact CG-NE 3.34Å; E280-R284 WeakPolarHBondContact O-CB 3.49Å; E280-R284 WeakPolarHBondContact O-CG 3.46Å; E280-R284 PolarHBondContact O-N 2.69Å; E280-R284 VanDerWaalsContact O-N 3.08Å; E280-R284 IonicContact OE1-CZ 3.87Å; E280-R284 VanDerWaalsContact OE1-CZ 3.25Å; E280-R284 IonicContact OE1-NE 3.78Å; E280-R284 PolarHBondContact OE1-NE 2.93Å; E280-R284 VanDerWaalsContact OE1-NE 3.12Å; E280-R284 IonicContact OE1-NH2 2.86Å; E280-R284 PolarHBondContact OE1-NH2 3.35Å; R284-H286 PolarHBondContact O-N 3.23Å; R284-G287 PolarHBondContact O-N 2.91Å
285	S	98.4	Very high	98.5	Very high	89 Å²	89	43.2 Å²	43.2	62%	0.622	24%	0.235	S	C	*	.	H	α-helix	trans	-65.4	-17.3	176.5	65.1	0	0	0	0	113.1	K281 Y282 A283	K281-S285 PolarHBondContact O-N 3.42Å; Y282-S285 PolarHBondContact O-N 3.48Å; Y282-S285 PolarHBondContact O-OG 2.98Å; A283-S285 VanDerWaalsContact C-N 3.35Å; A283-S285 PolarHBondContact O-N 2.73Å
286	H	98.5	Very high	98.5	Very high	56 Å²	56	43.3 Å²	43.3	26%	0.259	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.5	174.9	-66.8	93.6	0	0	0	113.6	V254 Y282 A283 R284 F288	V254-H286 HydrophobicContact CG1-CB 3.9Å; V254-H286 HydrophobicContact CG2-CB 3.94Å; Y282-H286 AromaticContact CD1-CE1 3.91Å; Y282-H286 AromaticContact CD1-ND1 3.79Å; Y282-H286 AromaticContact CE1-CE1 3.34Å; Y282-H286 WeakPolarHBondContact CE1-CE1 3.44Å; Y282-H286 AromaticContact CE1-ND1 3.63Å; Y282-H286 AromaticContact CZ-CE1 3.58Å; Y282-H286 PolarHBondContact O-ND1 3.23Å; A283-H286 PolarHBondContact O-N 3.25Å; A283-H286 VanDerWaalsContact O-N 3.1Å; R284-H286 PolarHBondContact O-N 3.23Å; H286-F288 HydrophobicContact CB-CD2 3.99Å; H286-F288 HydrophobicContact CB-CE2 4.17Å
287	G	98.2	Very high	98.5	Very high	62 Å²	62	43.9 Å²	43.9	64%	0.639	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	15.9	178.2	0	0	0	0	0	115.1	A283 R284	A283-G287 PolarHBondContact O-N 3.17Å; R284-G287 PolarHBondContact O-N 2.91Å
288	F	98.8	Very high	98.5	Very high	16 Å²	16	42.6 Å²	42.6	7%	0.07	23%	0.225	C	C	.	.			trans	-103.3	164.3	177.8	-58.7	-47	0	0	0	112.5	Q250 L251 V254 A283 H286 I333 N334 Q335	Q250-F288 HydrophobicContact CG-CE2 4.21Å; Q250-F288 HydrophobicContact CG-CZ 4.08Å; L251-F288 HydrophobicContact CB-CE1 4.4Å; L251-F288 HydrophobicContact CB-CE2 4.47Å; L251-F288 HydrophobicContact CB-CZ 4.03Å; L251-F288 HydrophobicContact CD1-CD1 3.95Å; L251-F288 HydrophobicContact CD1-CD2 4.13Å; L251-F288 HydrophobicContact CD1-CE1 3.98Å; L251-F288 HydrophobicContact CD1-CE2 4.18Å; L251-F288 HydrophobicContact CD1-CG 4.02Å; L251-F288 HydrophobicContact CD1-CZ 4.1Å; V254-F288 HydrophobicContact CB-CD2 3.96Å; V254-F288 HydrophobicContact CB-CE2 3.78Å; V254-F288 HydrophobicContact CG1-CD2 3.7Å; V254-F288 HydrophobicContact CG1-CE2 4.04Å; V254-F288 HydrophobicContact CG2-CD2 4.4Å; V254-F288 HydrophobicContact CG2-CE2 3.91Å; A283-F288 HydrophobicContact CB-CB 4.49Å; A283-F288 PolarHBondContact O-N 2.92Å; H286-F288 HydrophobicContact CB-CD2 3.99Å; H286-F288 HydrophobicContact CB-CE2 4.17Å; F288-I333 HydrophobicContact CB-CG2 3.52Å; F288-I333 HydrophobicContact CD2-CG2 4.27Å; F288-I333 HydrophobicContact CG-CG2 4.11Å; F288-N334 WeakPolarHBondContact CB-O 3.43Å; F288-Q335 HydrophobicContact CE1-CG 4.5Å
289	S	98.7	Very high	98.5	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	161	176.4	74	0	0	0	0	112	I333 N334 G336 T337 Y338	S289-I333 WeakPolarHBondContact O-CA 3.37Å; S289-N334 PolarHBondContact N-O 2.98Å; S289-N334 PolarHBondContact O-N 2.99Å; S289-G336 VanDerWaalsContact CB-O 3.31Å; S289-G336 WeakPolarHBondContact CB-O 3.35Å; S289-G336 PolarHBondContact OG-O 3.44Å; S289-T337 PolarHBondContact OG-O 3.19Å; S289-Y338 PolarHBondContact OG-N 3.1Å
290	V	98.8	Very high	98.5	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.6	-177.4	-172.7	0	0	0	0	109.6	I279 E280 A283 H311 I333 Y338	I279-V290 HydrophobicContact CG2-CG1 4.28Å; I279-V290 HydrophobicContact CG2-CG2 4.21Å; E280-V290 HydrophobicContact CB-CG2 3.89Å; E280-V290 HydrophobicContact CG-CG2 3.93Å; A283-V290 HydrophobicContact CB-CG2 3.81Å; V290-H311 HydrophobicContact CG1-CB 3.72Å; V290-H311 WeakPolarHBondContact CG1-O 3.33Å; V290-I333 HydrophobicContact CB-CD1 4.3Å; V290-I333 HydrophobicContact CG1-CD1 4.16Å; V290-I333 HydrophobicContact CG2-CD1 3.75Å; V290-Y338 VanDerWaalsContact O-CB 3.24Å; V290-Y338 WeakPolarHBondContact O-CB 3.48Å
291	V	98.7	Very high	98.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.234	C	C	.	.			trans	-59.1	141.1	174.8	175.6	0	0	0	0	110.4	I204 Y294 M332 N334	I204-V291 HydrophobicContact CD1-CG2 4.02Å; I204-V291 HydrophobicContact CG1-CG2 4.27Å; I204-V291 HydrophobicContact CG2-CB 4.45Å; I204-V291 HydrophobicContact CG2-CG1 4.1Å; I204-V291 HydrophobicContact CG2-CG2 3.78Å; V291-Y294 HydrophobicContact CG1-CD2 4.03Å; V291-M332 HydrophobicContact CB-CB 3.84Å; V291-M332 HydrophobicContact CG1-SD 4.39Å; V291-M332 HydrophobicContact CG2-CB 3.68Å; V291-M332 PolarHBondContact N-O 3.48Å; V291-M332 VanDerWaalsContact N-O 3.1Å; V291-N334 WeakPolarHBondContact CG2-ND2 3.36Å; V291-N334 WeakPolarHBondContact CG2-OD1 3.46Å
292	R	98.3	Very high	98.5	Very high	87 Å²	87	39.1 Å²	39.1	33%	0.328	20%	0.204	S	C	.	.	S	Bend	trans	-112.3	-15.7	-173.5	-62.7	-171.1	168.7	-174.5	-7.7	115	E280 Y312 Y338	E280-R292 IonicContact OE1-NH2 2.76Å; E280-R292 PolarHBondContact OE1-NH2 3.03Å; R292-Y312 HydrophobicContact CB-CD1 3.92Å; R292-Y312 HydrophobicContact CB-CE1 4.06Å; R292-Y312 HydrophobicContact CG-CD1 3.78Å; R292-Y312 HydrophobicContact CG-CE1 4.35Å; R292-Y312 HydrophobicContact CG-CG 3.99Å; R292-Y312 WeakPolarHBondContact O-CE1 3.34Å; R292-Y338 HydrophobicContact CG-CD2 4Å
293	S	97.3	Very high	98.4	Very high	63 Å²	63	36.9 Å²	36.9	44%	0.441	20%	0.196	S	C	.	.	S	Bend	trans	-90.7	-12.2	-172.2	-58.4	0	0	0	0	113.8	E340	S293-E340 WeakPolarHBondContact CB-OE1 3.46Å; S293-E340 PolarHBondContact OG-OE1 3.31Å; S293-E340 PolarHBondContact OG-OE2 2.99Å
294	Y	98.4	Very high	98.4	Very high	40 Å²	40	39.8 Å²	39.8	16%	0.157	21%	0.209	C	C	.	.			trans	-125.7	149	177.1	-59.9	-83.5	0	0	0	110.5	C205 H206 V291 M332 H342 A349	C205-Y294 VanDerWaalsContact SG-CE2 3.56Å; H206-Y294 AromaticContact CE1-CD1 3.91Å; H206-Y294 AromaticContact CE1-CE1 3.5Å; H206-Y294 VanDerWaalsContact CE1-CE1 3.5Å; H206-Y294 WeakPolarHBondContact CE1-CE1 3.12Å; H206-Y294 AromaticContact ND1-CE1 3.73Å; V291-Y294 HydrophobicContact CG1-CD2 4.03Å; Y294-M332 VanDerWaalsContact CB-CE 3.42Å; Y294-M332 HydrophobicContact CD2-SD 4.22Å; Y294-M332 HydrophobicContact CG-CE 4.43Å; Y294-M332 HydrophobicContact CG-SD 4.17Å; Y294-H342 AromaticContact CZ-NE2 3.89Å; Y294-H342 PolarHBondContact OH-NE2 3.27Å; Y294-A349 HydrophobicContact CE2-CB 3.75Å; Y294-A349 WeakPolarHBondContact OH-CB 3.15Å
295	C	98.4	Very high	98.4	Very high	32 Å²	32	34 Å²	34	22%	0.216	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.1	-167.5	-63.1	0	0	0	0	108.9	T308 P310	C295-T308 HydrophobicContact CB-CG2 3.68Å; C295-P310 VanDerWaalsContact SG-CA 3.57Å
296	G	98.7	Very high	98.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	163.1	163.7	0	0	0	0	0	111.8	V309 H311 T328 E330	G296-V309 PolarHBondContact N-O 2.71Å; G296-V309 PolarHBondContact O-N 2.54Å; G296-H311 PolarHBondContact N-CE1 3.19Å; G296-H311 PolarHBondContact N-NE2 2.92Å; G296-T328 VanDerWaalsContact CA-OG1 3.31Å; G296-T328 WeakPolarHBondContact CA-OG1 3.17Å; G296-E330 WeakPolarHBondContact CA-OE1 3.33Å
297	H	98.7	Very high	98.3	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.2	-173.8	56.6	95.4	0	0	0	112	D234 F303 H304 P307 F327 T328 E330	D234-H297 IonicContact OD2-CE1 3.39Å; D234-H297 IonicContact OD2-NE2 2.81Å; H297-F303 PolarHBondContact CE1-O 3.01Å; H297-F303 PolarHBondContact ND1-O 3.01Å; H297-H304 HydrophobicContact CB-CB 4.44Å; H297-H304 AromaticContact CD2-CD2 3.46Å; H297-H304 PolarHBondContact CD2-CD2 2.79Å; H297-H304 VanDerWaalsContact CD2-CD2 3.46Å; H297-H304 AromaticContact CE1-CD2 3.72Å; H297-H304 AromaticContact CG-CD2 3.55Å; H297-H304 AromaticContact ND1-CD2 3.72Å; H297-H304 AromaticContact NE2-CD2 3.57Å; H297-H304 AromaticContact NE2-NE2 3.79Å; H297-P307 CarbonylContact C-O 3.53Å; H297-P307 VanDerWaalsContact CA-O 3.28Å; H297-P307 WeakPolarHBondContact CA-O 3.4Å; H297-F327 CarbonylContact O-C 3.47Å; H297-F327 WeakPolarHBondContact O-CA 3.23Å; H297-F327 WeakPolarHBondContact O-CB 3.33Å; H297-T328 PolarHBondContact CD2-OG1 3.17Å; H297-T328 VanDerWaalsContact CD2-OG1 3.25Å; H297-T328 PolarHBondContact N-OG1 3.4Å; H297-T328 PolarHBondContact O-N 3.36Å; H297-E330 IonicContact CD2-OE1 3.87Å; H297-E330 PolarHBondContact CD2-OE1 3.43Å; H297-E330 IonicContact NE2-OE1 2.73Å
298	G	98.6	Very high	98.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.5	160.2	0	0	0	0	0	109.4	T305 P307	G298-T305 WeakPolarHBondContact CA-O 3.4Å; G298-T305 PolarHBondContact N-O 3.23Å; G298-T305 WeakPolarHBondContact O-CG2 3.28Å; G298-T305 PolarHBondContact O-N 2.85Å; G298-P307 PolarHBondContact N-O 3Å
299	I	98.8	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.			trans	-143.4	132.3	179.6	-176.7	170.2	0	0	0	109.8	M142 T225 H232 D234 T326 T328 T363	M142-I299 HydrophobicContact CE-CG2 4.17Å; T225-I299 HydrophobicContact CG2-CD1 4.39Å; H232-I299 HydrophobicContact CB-CD1 3.72Å; H232-I299 HydrophobicContact CB-CG1 3.81Å; D234-I299 HydrophobicContact CB-CD1 3.5Å; I299-T326 PolarHBondContact N-O 2.96Å; I299-T326 WeakPolarHBondContact O-CB 3.34Å; I299-T326 PolarHBondContact O-OG1 3.4Å; I299-T328 HydrophobicContact CB-CG2 4.41Å; I299-T328 HydrophobicContact CG2-CG2 3.81Å; I299-T363 HydrophobicContact CG2-CG2 3.67Å
300	N	98.5	Very high	98.3	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.027	14%	0.144	C	C	.	.	S	Bend	trans	-165.9	-110.2	174.5	46.7	45.5	0	0	0	109.7	Q132 L134 M142 F231 H232 L302	Q132-N300 PolarHBondContact OE1-ND2 3.11Å; L134-N300 HydrophobicContact CD1-CB 4.48Å; L134-N300 HydrophobicContact CD2-CB 4.05Å; M142-N300 HydrophobicContact SD-CB 4.29Å; F231-N300 CarbonylContact C-O 3.53Å; F231-N300 WeakPolarHBondContact CA-O 3.31Å; F231-N300 HydrophobicContact CD1-CB 4.15Å; F231-N300 HydrophobicContact CE1-CB 4.11Å; H232-N300 PolarHBondContact N-O 3.45Å; N300-L302 PolarHBondContact N-O 3.11Å; N300-L302 VanDerWaalsContact N-O 3.12Å; N300-L302 PolarHBondContact O-N 2.95Å; N300-L302 PolarHBondContact OD1-N 3.06Å
301	R	97.9	Very high	98.3	Very high	116 Å²	116	28.4 Å²	28.4	44%	0.438	14%	0.144	S	C	.	.	S	Bend	trans	-69.4	-22.9	169.9	-59.2	-176.7	176.5	-78.1	-0.5	112.9	E138 G230 F231	E138-R301 IonicContact OE1-CZ 3.2Å; E138-R301 IonicContact OE1-NE 2.75Å; E138-R301 PolarHBondContact OE1-NE 3.08Å; E138-R301 IonicContact OE1-NH2 2.73Å; E138-R301 PolarHBondContact OE1-NH2 2.9Å; G230-R301 VanDerWaalsContact O-CA 3.26Å; G230-R301 WeakPolarHBondContact O-CA 3.5Å; G230-R301 WeakPolarHBondContact O-CG 3.16Å; F231-R301 HydrophobicContact CD1-CG 4.22Å; F231-R301 HydrophobicContact CE1-CG 3.73Å; F231-R301 HydrophobicContact CE2-CG 4.17Å; F231-R301 HydrophobicContact CZ-CG 3.66Å
302	L	98	Very high	98.3	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.094	16%	0.155	C	C	.	.	S	Bend	trans	-100.5	143.1	173.5	-55.9	-176.4	0	0	0	108.9	L121 E122 T125 H232 N300 T305	L121-L302 HydrophobicContact CB-CD2 3.54Å; E122-L302 HydrophobicContact CG-CB 3.98Å; E122-L302 HydrophobicContact CG-CD1 4.3Å; E122-L302 HydrophobicContact CG-CD2 4.06Å; E122-L302 HydrophobicContact CG-CG 4.32Å; T125-L302 HydrophobicContact CG2-CD1 3.98Å; T125-L302 WeakPolarHBondContact OG1-CD1 3.43Å; H232-L302 VanDerWaalsContact CD2-C 3.47Å; N300-L302 PolarHBondContact N-O 3.11Å; N300-L302 VanDerWaalsContact N-O 3.12Å; N300-L302 PolarHBondContact O-N 2.95Å; N300-L302 PolarHBondContact OD1-N 3.06Å; L302-T305 HydrophobicContact CB-CG2 4.2Å; L302-T305 HydrophobicContact CD1-CG2 4.41Å
303	F	98.5	Very high	98.2	Very high	10 Å²	10	28.7 Å²	28.7	4%	0.044	15%	0.151	C	C	.	.	S	Bend	trans	-66.8	-50.6	176.4	-170.5	-179.5	0	0	0	108.3	E122 P186 Y189 T225 H232 D234 H297	E122-F303 WeakPolarHBondContact OE1-CA 3.5Å; E122-F303 WeakPolarHBondContact OE1-CB 3.37Å; E122-F303 PolarHBondContact OE1-N 3.41Å; P186-F303 HydrophobicContact CG-CZ 4.4Å; Y189-F303 HydrophobicContact CD1-CD1 4.07Å; Y189-F303 AromaticContact CD1-CE1 3.96Å; Y189-F303 HydrophobicContact CD1-CE1 3.96Å; Y189-F303 AromaticContact CD2-CD1 3.97Å; Y189-F303 HydrophobicContact CD2-CD1 3.97Å; Y189-F303 HydrophobicContact CE1-CD1 4.2Å; Y189-F303 HydrophobicContact CE1-CE1 4.33Å; Y189-F303 HydrophobicContact CE2-CD1 4.13Å; Y189-F303 AromaticContact CG-CD1 3.94Å; Y189-F303 HydrophobicContact CG-CD1 3.94Å; Y189-F303 HydrophobicContact CG-CE1 4.08Å; T225-F303 HydrophobicContact CG2-CD2 3.74Å; T225-F303 HydrophobicContact CG2-CE2 3.32Å; T225-F303 HydrophobicContact CG2-CZ 3.9Å; T225-F303 WeakPolarHBondContact OG1-CE2 3.27Å; T225-F303 WeakPolarHBondContact OG1-CZ 3.41Å; H232-F303 PolarHBondContact CD2-N 3.1Å; D234-F303 WeakPolarHBondContact OD2-CE2 3.48Å; H297-F303 PolarHBondContact CE1-O 3.01Å; H297-F303 PolarHBondContact ND1-O 3.01Å
304	H	98.2	Very high	98.2	Very high	60 Å²	60	35.3 Å²	35.3	28%	0.278	17%	0.172	S	C	.	.	S	Bend	trans	-126.3	122.1	175.3	-54.9	80.5	0	0	0	111.5	E122 Y189 H297	E122-H304 PolarHBondContact OE1-N 2.89Å; Y189-H304 AromaticContact CE1-CE1 3.73Å; Y189-H304 AromaticContact CE1-ND1 3.77Å; Y189-H304 AromaticContact CZ-CE1 3.96Å; Y189-H304 AromaticContact CZ-ND1 3.5Å; Y189-H304 PolarHBondContact OH-ND1 3.01Å; H297-H304 HydrophobicContact CB-CB 4.44Å; H297-H304 AromaticContact CD2-CD2 3.46Å; H297-H304 PolarHBondContact CD2-CD2 2.79Å; H297-H304 VanDerWaalsContact CD2-CD2 3.46Å; H297-H304 AromaticContact CE1-CD2 3.72Å; H297-H304 AromaticContact CG-CD2 3.55Å; H297-H304 AromaticContact ND1-CD2 3.72Å; H297-H304 AromaticContact NE2-CD2 3.57Å; H297-H304 AromaticContact NE2-NE2 3.79Å
305	T	97.6	Very high	98.2	Very high	25 Å²	25	34 Å²	34	15%	0.153	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-175.9	175	-171.3	0	0	0	0	111.6	G298 L302	G298-T305 WeakPolarHBondContact CA-O 3.4Å; G298-T305 PolarHBondContact N-O 3.23Å; G298-T305 WeakPolarHBondContact O-CG2 3.28Å; G298-T305 PolarHBondContact O-N 2.85Å; L302-T305 HydrophobicContact CB-CG2 4.2Å; L302-T305 HydrophobicContact CD1-CG2 4.41Å
306	V	97.1	Very high	98.2	Very high	33 Å²	33	41.6 Å²	41.6	20%	0.2	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.7	173.5	-69.4	0	0	0	0	111.3	S128 V130 I131	S128-V306 WeakPolarHBondContact O-CG1 3.37Å; V130-V306 VanDerWaalsContact O-CG2 3.28Å; V130-V306 WeakPolarHBondContact O-CG2 3.34Å; I131-V306 HydrophobicContact CG1-CG2 4.37Å
307	P	97.9	Very high	98.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-82	149.4	6.6	33.3	-35.2	0	0	0	113.5	I131 Y272 H297 G298 V309 F327	I131-P307 HydrophobicContact CD1-CB 3.78Å; I131-P307 HydrophobicContact CD1-CG 4.06Å; I131-P307 HydrophobicContact CG1-CB 4.25Å; I131-P307 HydrophobicContact CG1-CG 4.5Å; Y272-P307 HydrophobicContact CD1-CB 4.15Å; Y272-P307 HydrophobicContact CD1-CG 3.78Å; Y272-P307 HydrophobicContact CD2-CB 3.97Å; Y272-P307 HydrophobicContact CD2-CG 4.17Å; Y272-P307 HydrophobicContact CE1-CB 4.26Å; Y272-P307 HydrophobicContact CE1-CG 3.47Å; Y272-P307 VanDerWaalsContact CE1-CG 3.47Å; Y272-P307 HydrophobicContact CE2-CB 4.11Å; Y272-P307 HydrophobicContact CE2-CG 3.91Å; Y272-P307 HydrophobicContact CG-CB 4.01Å; Y272-P307 HydrophobicContact CG-CG 4.12Å; H297-P307 CarbonylContact C-O 3.53Å; H297-P307 VanDerWaalsContact CA-O 3.28Å; H297-P307 WeakPolarHBondContact CA-O 3.4Å; G298-P307 PolarHBondContact N-O 3Å; P307-V309 HydrophobicContact CB-CG2 4.26Å; P307-V309 HydrophobicContact CG-CG2 3.97Å; P307-F327 HydrophobicContact CG-CB 4.2Å
308	T	97.7	Very high	98	Very high	80 Å²	80	47.9 Å²	47.9	49%	0.491	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.1	159.3	-54.3	0	0	0	0	109.1	C295 P310 A317	C295-T308 HydrophobicContact CB-CG2 3.68Å; T308-P310 WeakPolarHBondContact O-CD 3.37Å; T308-A317 WeakPolarHBondContact O-CB 3.39Å
309	V	98.7	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	84.7	-172.2	-172.4	0	0	0	0	110.7	Y272 I275 G296 P307 F327	Y272-V309 HydrophobicContact CD1-CG2 3.81Å; Y272-V309 HydrophobicContact CE1-CG2 4.43Å; I275-V309 HydrophobicContact CB-CG1 4.1Å; I275-V309 HydrophobicContact CD1-CG1 3.45Å; I275-V309 VanDerWaalsContact CD1-CG1 3.45Å; I275-V309 HydrophobicContact CG1-CG1 4.37Å; I275-V309 HydrophobicContact CG2-CG1 3.92Å; G296-V309 PolarHBondContact N-O 2.71Å; G296-V309 PolarHBondContact O-N 2.54Å; P307-V309 HydrophobicContact CB-CG2 4.26Å; P307-V309 HydrophobicContact CG-CG2 3.97Å; V309-F327 HydrophobicContact CG2-CD2 3.96Å
310	P	98.7	Very high	97.9	Very high	8 Å²	8	52 Å²	52	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.5	178.9	-17	31.7	0	0	0	112.7	G276 C295 T308 Y312 N315 A317	G276-P310 WeakPolarHBondContact CA-O 3.47Å; G276-P310 PolarHBondContact N-O 2.68Å; C295-P310 VanDerWaalsContact SG-CA 3.57Å; T308-P310 WeakPolarHBondContact O-CD 3.37Å; P310-Y312 HydrophobicContact CB-CD1 3.95Å; P310-Y312 HydrophobicContact CB-CE1 3.54Å; P310-N315 HydrophobicContact CB-CB 3.74Å; P310-N315 HydrophobicContact CG-CB 3.91Å; P310-A317 HydrophobicContact CG-CB 4.3Å
311	H	98.8	Very high	97.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-88	-3	-177.3	-53	115	0	0	0	114.5	G276 I279 V290 G296 E330 P331	G276-H311 WeakPolarHBondContact CA-O 3.4Å; I279-H311 WeakPolarHBondContact CB-O 3.41Å; I279-H311 HydrophobicContact CD1-CB 4.03Å; I279-H311 HydrophobicContact CG2-CB 4.24Å; I279-H311 WeakPolarHBondContact CG2-O 3.43Å; V290-H311 HydrophobicContact CG1-CB 3.72Å; V290-H311 WeakPolarHBondContact CG1-O 3.33Å; G296-H311 PolarHBondContact N-CE1 3.19Å; G296-H311 PolarHBondContact N-NE2 2.92Å; H311-E330 VanDerWaalsContact CE1-C 3.43Å; H311-E330 WeakPolarHBondContact CE1-CG 3.35Å; H311-E330 PolarHBondContact CE1-O 2.97Å; H311-E330 PolarHBondContact NE2-N 3.12Å; H311-P331 HydrophobicContact CB-CB 4.42Å
312	Y	98.5	Very high	98	Very high	59 Å²	59	52.2 Å²	52.2	23%	0.231	27%	0.265	C	S	.	.	S	Bend	trans	-99.9	153.5	178.2	61.8	-90.9	0	0	0	112.7	G276 R292 P310 N315	G276-Y312 VanDerWaalsContact C-C 3.49Å; G276-Y312 CarbonylContact C-O 3.55Å; G276-Y312 WeakPolarHBondContact CA-O 3.4Å; G276-Y312 CarbonylContact O-C 3.45Å; G276-Y312 VanDerWaalsContact O-C 3.28Å; R292-Y312 HydrophobicContact CB-CD1 3.92Å; R292-Y312 HydrophobicContact CB-CE1 4.06Å; R292-Y312 HydrophobicContact CG-CD1 3.78Å; R292-Y312 HydrophobicContact CG-CE1 4.35Å; R292-Y312 HydrophobicContact CG-CG 3.99Å; R292-Y312 WeakPolarHBondContact O-CE1 3.34Å; P310-Y312 HydrophobicContact CB-CD1 3.95Å; P310-Y312 HydrophobicContact CB-CE1 3.54Å; Y312-N315 HydrophobicContact CD2-CB 3.99Å; Y312-N315 HydrophobicContact CE2-CB 3.52Å; Y312-N315 PolarHBondContact O-ND2 3.03Å
313	S	97.9	Very high	98	Very high	36 Å²	36	54 Å²	54	25%	0.252	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	158.7	179.8	74.1	0	0	0	0	112.5	G276 E280 N315	G276-S313 PolarHBondContact O-N 2.88Å; G276-S313 VanDerWaalsContact O-N 3.15Å; E280-S313 WeakPolarHBondContact OE2-CA 3.28Å; E280-S313 WeakPolarHBondContact OE2-CB 3.39Å; E280-S313 PolarHBondContact OE2-N 3.28Å; E280-S313 PolarHBondContact OE2-OG 3.38Å; S313-N315 PolarHBondContact O-N 2.78Å; S313-N315 VanDerWaalsContact O-N 3.08Å
314	K	97.3	Very high	98	Very high	202 Å²	202	53.6 Å²	53.6	88%	0.878	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	22.2	-178.7	-53	180	-178.3	179.5	0	113.9
315	N	98.1	Very high	98	Very high	11 Å²	11	51 Å²	51	6%	0.059	26%	0.264	C	S	.	.			trans	-66.1	165	169.1	74	75.4	0	0	0	110.6	R273 P310 Y312 S313 A317	R273-N315 VanDerWaalsContact CA-OD1 3.25Å; R273-N315 WeakPolarHBondContact CA-OD1 3.35Å; R273-N315 WeakPolarHBondContact CB-OD1 3.41Å; R273-N315 PolarHBondContact O-ND2 2.81Å; P310-N315 HydrophobicContact CB-CB 3.74Å; P310-N315 HydrophobicContact CG-CB 3.91Å; Y312-N315 HydrophobicContact CD2-CB 3.99Å; Y312-N315 HydrophobicContact CE2-CB 3.52Å; Y312-N315 PolarHBondContact O-ND2 3.03Å; S313-N315 PolarHBondContact O-N 2.78Å; S313-N315 VanDerWaalsContact O-N 3.08Å; N315-A317 VanDerWaalsContact OD1-CB 3.27Å; N315-A317 WeakPolarHBondContact OD1-CB 3.49Å; N315-A317 PolarHBondContact OD1-N 3.41Å
316	K	97.7	Very high	98.1	Very high	192 Å²	192	50 Å²	50	84%	0.835	26%	0.258	S	S	*	.			trans	-111.9	27.1	-176.1	-61.2	180	-178	175.6	0	112.5	I318	K316-I318 PolarHBondContact O-N 3.15Å
317	A	97.2	Very high	98.2	Very high	17 Å²	17	48.4 Å²	48.4	14%	0.14	25%	0.248	C	C	.	.			trans	-56	138.2	-179.3	0	0	0	0	0	111.6	R273 T308 P310 N315	R273-A317 HydrophobicContact CB-CB 4.01Å; T308-A317 WeakPolarHBondContact O-CB 3.39Å; P310-A317 HydrophobicContact CG-CB 4.3Å; N315-A317 VanDerWaalsContact OD1-CB 3.27Å; N315-A317 WeakPolarHBondContact OD1-CB 3.49Å; N315-A317 PolarHBondContact OD1-N 3.41Å
318	I	96.1	Very high	98.2	Very high	128 Å²	128	48.2 Å²	48.2	66%	0.656	25%	0.247	S	C	*	.			trans	-98.4	138.8	-176.8	-60.4	174.9	0	0	0	108.5	K316	K316-I318 PolarHBondContact O-N 3.15Å
319	G	97.2	Very high	98.3	Very high	26 Å²	26	44.4 Å²	44.4	27%	0.268	22%	0.224	S	C	.	.			trans	120.8	160.5	171.1	0	0	0	0	0	114	Y272	Y272-G319 PolarHBondContact N-O 3.36Å
320	V	98.3	Very high	98.3	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.37	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-126.8	134	175.5	179.7	0	0	0	0	106.6	G269 K271 H325	G269-V320 VanDerWaalsContact CA-CG1 3.49Å; G269-V320 WeakPolarHBondContact O-CG1 3.25Å; K271-V320 HydrophobicContact CG-CG2 4.07Å; V320-H325 PolarHBondContact O-CE1 2.85Å
321	M	98.8	Very high	98.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.225	C	C	.	.			trans	-62	137.4	178.1	-65.4	170.4	-168.7	0	0	110.3	V266 K267 P268 G269 T270 Y272 I275 F327 V366	V266-M321 HydrophobicContact CB-SD 4.28Å; V266-M321 HydrophobicContact CG1-SD 3.84Å; V266-M321 HydrophobicContact CG2-CE 4.3Å; V266-M321 HydrophobicContact CG2-SD 4.47Å; K267-M321 WeakPolarHBondContact O-CB 3.24Å; P268-M321 WeakPolarHBondContact CA-O 3.46Å; G269-M321 PolarHBondContact N-O 3.08Å; T270-M321 HydrophobicContact CG2-CE 4.05Å; T270-M321 HydrophobicContact CG2-SD 4.02Å; T270-M321 WeakPolarHBondContact O-CB 3.37Å; T270-M321 WeakPolarHBondContact O-CG 3.29Å; T270-M321 PolarHBondContact O-N 3.05Å; Y272-M321 HydrophobicContact CD1-CE 3.92Å; Y272-M321 HydrophobicContact CD1-CG 4.25Å; Y272-M321 HydrophobicContact CD2-CG 4.49Å; Y272-M321 HydrophobicContact CE1-CE 4.1Å; Y272-M321 HydrophobicContact CE1-CG 3.77Å; Y272-M321 HydrophobicContact CE2-CG 4.01Å; I275-M321 HydrophobicContact CD1-CE 3.5Å; I275-M321 HydrophobicContact CG1-CE 4.05Å; M321-F327 HydrophobicContact CE-CE2 4.48Å; M321-F327 HydrophobicContact CE-CZ 3.94Å; M321-F327 HydrophobicContact SD-CZ 4.38Å; M321-V366 HydrophobicContact CB-CG1 4.39Å; M321-V366 HydrophobicContact CB-CG2 4.21Å; M321-V366 HydrophobicContact CG-CG2 4.45Å
322	K	98.6	Very high	98.3	Very high	125 Å²	125	44.9 Å²	44.9	54%	0.543	23%	0.225	S	C	.	.			trans	-135.2	152.6	173.8	-58.9	-179.1	-176.7	179.1	0	108.8	G324 H325 V366	K322-G324 PolarHBondContact O-N 3.2Å; K322-H325 PolarHBondContact N-ND1 3.41Å; K322-H325 WeakPolarHBondContact O-CB 3.39Å; K322-H325 VanDerWaalsContact O-CG 3.31Å; K322-H325 PolarHBondContact O-N 2.92Å; K322-H325 VanDerWaalsContact O-N 3.13Å; K322-V366 VanDerWaalsContact O-CB 3.27Å; K322-V366 WeakPolarHBondContact O-CB 3.44Å; K322-V366 WeakPolarHBondContact O-CG1 3.25Å
323	T	98.7	Very high	98.3	Very high	56 Å²	56	42 Å²	42	34%	0.344	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	134.7	170.8	-54.7	0	0	0	0	110.3	V133 V366 D368	V133-T323 WeakPolarHBondContact CG1-O 3.32Å; T323-V366 WeakPolarHBondContact CA-O 3.45Å; T323-D368 WeakPolarHBondContact CB-OD1 3.33Å; T323-D368 WeakPolarHBondContact CG2-OD1 3.1Å; T323-D368 PolarHBondContact OG1-OD1 3.06Å
324	G	98.6	Very high	98.4	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-2.9	179.9	0	0	0	0	0	115.1	L134 K322 V366	L134-G324 WeakPolarHBondContact CG-O 3.33Å; L134-G324 PolarHBondContact N-O 3.1Å; K322-G324 PolarHBondContact O-N 3.2Å; G324-V366 PolarHBondContact N-O 3.41Å
325	H	98.8	Very high	98.4	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.023	17%	0.168	C	C	.	.			trans	-73.3	136.6	169.2	-70.8	-173.7	0	0	0	110.9	I131 Q132 Y272 V320 K322 L365 V366	I131-H325 HydrophobicContact CG2-CB 4.33Å; Q132-H325 PolarHBondContact O-CD2 3.36Å; Y272-H325 AromaticContact CZ-ND1 3.87Å; Y272-H325 WeakPolarHBondContact OH-CB 3.42Å; Y272-H325 PolarHBondContact OH-ND1 3.1Å; V320-H325 PolarHBondContact O-CE1 2.85Å; K322-H325 PolarHBondContact N-ND1 3.41Å; K322-H325 WeakPolarHBondContact O-CB 3.39Å; K322-H325 VanDerWaalsContact O-CG 3.31Å; K322-H325 PolarHBondContact O-N 2.92Å; K322-H325 VanDerWaalsContact O-N 3.13Å; H325-L365 WeakPolarHBondContact O-CA 3.28Å; H325-V366 HydrophobicContact CB-CB 4.4Å; H325-V366 HydrophobicContact CB-CG2 4.04Å; H325-V366 PolarHBondContact O-N 3.13Å
326	T	98.9	Very high	98.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.3	171	51.1	0	0	0	0	111.8	L134 M142 I299 L364 L365	L134-T326 HydrophobicContact CD1-CG2 3.54Å; L134-T326 HydrophobicContact CG-CG2 4.41Å; M142-T326 HydrophobicContact CE-CG2 4.32Å; M142-T326 HydrophobicContact CG-CG2 4.26Å; I299-T326 PolarHBondContact N-O 2.96Å; I299-T326 WeakPolarHBondContact O-CB 3.34Å; I299-T326 PolarHBondContact O-OG1 3.4Å; T326-L364 VanDerWaalsContact CA-O 3.23Å; T326-L364 WeakPolarHBondContact CA-O 3.38Å; T326-L365 HydrophobicContact CG2-CB 4.21Å; T326-L365 HydrophobicContact CG2-CD1 3.65Å
327	F	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	163.8	-176.6	69.1	-78.4	0	0	0	111.6	V266 Y272 I275 H297 P307 V309 M321 I329 L364 V366	V266-F327 HydrophobicContact CG1-CE1 4.07Å; V266-F327 HydrophobicContact CG1-CZ 3.76Å; V266-F327 HydrophobicContact CG2-CZ 4.14Å; Y272-F327 HydrophobicContact CD1-CD2 4.34Å; Y272-F327 HydrophobicContact CD1-CE2 4.22Å; Y272-F327 HydrophobicContact CD1-CZ 4.44Å; Y272-F327 AromaticContact CE1-CD1 3.76Å; Y272-F327 HydrophobicContact CE1-CD1 3.76Å; Y272-F327 AromaticContact CE1-CD2 3.88Å; Y272-F327 HydrophobicContact CE1-CD2 3.88Å; Y272-F327 AromaticContact CE1-CE1 3.75Å; Y272-F327 HydrophobicContact CE1-CE1 3.75Å; Y272-F327 AromaticContact CE1-CE2 3.86Å; Y272-F327 HydrophobicContact CE1-CE2 3.86Å; Y272-F327 AromaticContact CE1-CG 3.82Å; Y272-F327 HydrophobicContact CE1-CG 3.82Å; Y272-F327 AromaticContact CE1-CZ 3.8Å; Y272-F327 HydrophobicContact CE1-CZ 3.8Å; I275-F327 HydrophobicContact CD1-CE2 3.79Å; I275-F327 HydrophobicContact CD1-CZ 4.37Å; H297-F327 CarbonylContact O-C 3.47Å; H297-F327 WeakPolarHBondContact O-CA 3.23Å; H297-F327 WeakPolarHBondContact O-CB 3.33Å; P307-F327 HydrophobicContact CG-CB 4.2Å; V309-F327 HydrophobicContact CG2-CD2 3.96Å; M321-F327 HydrophobicContact CE-CE2 4.48Å; M321-F327 HydrophobicContact CE-CZ 3.94Å; M321-F327 HydrophobicContact SD-CZ 4.38Å; F327-I329 HydrophobicContact CD2-CG1 4.23Å; F327-I329 HydrophobicContact CE2-CD1 3.96Å; F327-I329 HydrophobicContact CE2-CG1 3.67Å; F327-L364 HydrophobicContact CE1-CB 4.43Å; F327-L364 HydrophobicContact CE2-CD1 4.22Å; F327-L364 HydrophobicContact CZ-CD1 4.1Å; F327-L364 PolarHBondContact N-O 3.21Å; F327-L364 VanDerWaalsContact N-O 3.13Å; F327-L364 PolarHBondContact O-N 2.94Å; F327-V366 HydrophobicContact CD1-CG2 4.38Å; F327-V366 HydrophobicContact CE1-CG2 3.65Å
328	T	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.8	178.1	70.5	0	0	0	0	111.5	D234 G296 H297 I299 E330 E361 H362	D234-T328 HydrophobicContact CB-CG2 4.22Å; G296-T328 VanDerWaalsContact CA-OG1 3.31Å; G296-T328 WeakPolarHBondContact CA-OG1 3.17Å; H297-T328 PolarHBondContact CD2-OG1 3.17Å; H297-T328 VanDerWaalsContact CD2-OG1 3.25Å; H297-T328 PolarHBondContact N-OG1 3.4Å; H297-T328 PolarHBondContact O-N 3.36Å; I299-T328 HydrophobicContact CB-CG2 4.41Å; I299-T328 HydrophobicContact CG2-CG2 3.81Å; T328-E330 PolarHBondContact OG1-OE1 2.91Å; T328-E361 WeakPolarHBondContact CB-OE1 3.42Å; T328-E361 WeakPolarHBondContact CG2-OE1 3.41Å; T328-H362 WeakPolarHBondContact CA-O 3.49Å
329	I	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.9	160.4	-58.9	-178.5	0	0	0	105.6	L259 A262 I263 V266 I275 I279 F327 E361 H362 L364	L259-I329 HydrophobicContact CD1-CB 3.73Å; L259-I329 HydrophobicContact CD1-CG2 3.58Å; L259-I329 VanDerWaalsContact CD1-O 3.23Å; L259-I329 WeakPolarHBondContact CD1-O 3.43Å; A262-I329 HydrophobicContact CB-CD1 4.18Å; A262-I329 HydrophobicContact CB-CG2 4.09Å; I263-I329 HydrophobicContact CG1-CD1 4.49Å; V266-I329 HydrophobicContact CG2-CD1 3.89Å; I275-I329 HydrophobicContact CD1-CD1 3.65Å; I275-I329 HydrophobicContact CD1-CG1 4.07Å; I275-I329 HydrophobicContact CG1-CD1 4.12Å; I275-I329 HydrophobicContact CG2-CD1 4.24Å; I275-I329 HydrophobicContact CG2-CG1 4.5Å; I275-I329 HydrophobicContact CG2-CG2 4.12Å; I279-I329 HydrophobicContact CD1-CG2 4.06Å; F327-I329 HydrophobicContact CD2-CG1 4.23Å; F327-I329 HydrophobicContact CE2-CD1 3.96Å; F327-I329 HydrophobicContact CE2-CG1 3.67Å; I329-E361 WeakPolarHBondContact O-CA 3.46Å; I329-H362 PolarHBondContact N-O 2.82Å; I329-H362 PolarHBondContact O-N 3.31Å; I329-L364 HydrophobicContact CD1-CD1 3.57Å; I329-L364 HydrophobicContact CG1-CD1 3.82Å
330	E	98.9	Very high	98.6	Very high	17 Å²	17	27.9 Å²	27.9	8%	0.079	14%	0.141	C	C	.	.			trans	-138.7	51.2	-165.6	63.6	-179	83	0	0	113.1	G296 H297 H311 T328 M332 Q359 F360 E361	G296-E330 WeakPolarHBondContact CA-OE1 3.33Å; H297-E330 IonicContact CD2-OE1 3.87Å; H297-E330 PolarHBondContact CD2-OE1 3.43Å; H297-E330 IonicContact NE2-OE1 2.73Å; H311-E330 VanDerWaalsContact CE1-C 3.43Å; H311-E330 WeakPolarHBondContact CE1-CG 3.35Å; H311-E330 PolarHBondContact CE1-O 2.97Å; H311-E330 PolarHBondContact NE2-N 3.12Å; T328-E330 PolarHBondContact OG1-OE1 2.91Å; E330-M332 HydrophobicContact CG-CE 4.24Å; E330-M332 VanDerWaalsContact O-CE 3.29Å; E330-M332 WeakPolarHBondContact O-CE 3.5Å; E330-M332 PolarHBondContact O-N 3.13Å; E330-M332 VanDerWaalsContact O-N 3.16Å; E330-Q359 PolarHBondContact O-NE2 3.26Å; E330-F360 CarbonylContact C-O 3.28Å; E330-F360 VanDerWaalsContact CA-O 3.31Å; E330-F360 WeakPolarHBondContact CA-O 3.2Å; E330-E361 HydrophobicContact CB-CB 3.69Å; E330-E361 HydrophobicContact CB-CG 3.7Å
331	P	98.8	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-59.3	122.3	-171.6	24.5	-35.6	0	0	0	113.1	T255 L259 I279 H311 I333 Q359 F360	T255-P331 WeakPolarHBondContact CG2-O 3.17Å; L259-P331 HydrophobicContact CB-CG 3.92Å; I279-P331 HydrophobicContact CD1-CB 4.17Å; I279-P331 HydrophobicContact CD1-CG 4.44Å; I279-P331 HydrophobicContact CG2-CB 3.99Å; H311-P331 HydrophobicContact CB-CB 4.42Å; P331-I333 HydrophobicContact CB-CD1 4.25Å; P331-I333 HydrophobicContact CB-CG1 4.4Å; P331-Q359 WeakPolarHBondContact O-CA 3.22Å; P331-F360 WeakPolarHBondContact CD-O 3.07Å
332	M	98.9	Very high	98.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	117.4	166.1	-66.2	145.5	-103.3	0	0	109.6	I204 C205 V291 Y294 E330 A358 Q359	I204-M332 HydrophobicContact CG2-CB 3.87Å; I204-M332 HydrophobicContact CG2-CG 3.8Å; I204-M332 HydrophobicContact CG2-SD 3.52Å; I204-M332 VanDerWaalsContact CG2-SD 3.52Å; C205-M332 HydrophobicContact CB-SD 3.95Å; V291-M332 HydrophobicContact CB-CB 3.84Å; V291-M332 HydrophobicContact CG1-SD 4.39Å; V291-M332 HydrophobicContact CG2-CB 3.68Å; V291-M332 PolarHBondContact N-O 3.48Å; V291-M332 VanDerWaalsContact N-O 3.1Å; Y294-M332 VanDerWaalsContact CB-CE 3.42Å; Y294-M332 HydrophobicContact CD2-SD 4.22Å; Y294-M332 HydrophobicContact CG-CE 4.43Å; Y294-M332 HydrophobicContact CG-SD 4.17Å; E330-M332 HydrophobicContact CG-CE 4.24Å; E330-M332 VanDerWaalsContact O-CE 3.29Å; E330-M332 WeakPolarHBondContact O-CE 3.5Å; E330-M332 PolarHBondContact O-N 3.13Å; E330-M332 VanDerWaalsContact O-N 3.16Å; M332-A358 WeakPolarHBondContact CA-O 3.27Å; M332-Q359 HydrophobicContact CG-CB 3.99Å; M332-Q359 HydrophobicContact CG-CG 3.67Å
333	I	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.5	-175.2	-55.3	-60.6	0	0	0	109.1	L251 T255 I279 A283 F288 S289 V290 P331 S357 A358	L251-I333 HydrophobicContact CD1-CB 4.5Å; L251-I333 HydrophobicContact CD1-CG2 3.99Å; T255-I333 HydrophobicContact CG2-CB 4.18Å; T255-I333 HydrophobicContact CG2-CG1 3.85Å; T255-I333 WeakPolarHBondContact OG1-CB 3.23Å; I279-I333 HydrophobicContact CG2-CD1 4.03Å; A283-I333 HydrophobicContact CB-CD1 3.89Å; A283-I333 HydrophobicContact CB-CG2 4.25Å; F288-I333 HydrophobicContact CB-CG2 3.52Å; F288-I333 HydrophobicContact CD2-CG2 4.27Å; F288-I333 HydrophobicContact CG-CG2 4.11Å; S289-I333 WeakPolarHBondContact O-CA 3.37Å; V290-I333 HydrophobicContact CB-CD1 4.3Å; V290-I333 HydrophobicContact CG1-CD1 4.16Å; V290-I333 HydrophobicContact CG2-CD1 3.75Å; P331-I333 HydrophobicContact CB-CD1 4.25Å; P331-I333 HydrophobicContact CB-CG1 4.4Å; I333-S357 WeakPolarHBondContact O-CA 3.47Å; I333-S357 PolarHBondContact O-OG 3.22Å; I333-A358 PolarHBondContact N-O 3.23Å; I333-A358 PolarHBondContact O-N 2.92Å
334	N	98.8	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.5	-177	-63.2	-8.1	0	0	0	110.7	F288 S289 V291 G336 T337 T351 S357	F288-N334 WeakPolarHBondContact CB-O 3.43Å; S289-N334 PolarHBondContact N-O 2.98Å; S289-N334 PolarHBondContact O-N 2.99Å; V291-N334 WeakPolarHBondContact CG2-ND2 3.36Å; V291-N334 WeakPolarHBondContact CG2-OD1 3.46Å; N334-G336 PolarHBondContact O-N 3.16Å; N334-T337 WeakPolarHBondContact CB-O 3.47Å; N334-T337 PolarHBondContact ND2-O 2.84Å; N334-T351 HydrophobicContact CB-CG2 4.26Å; N334-S357 VanDerWaalsContact OD1-CB 3.32Å; N334-S357 WeakPolarHBondContact OD1-CB 3.46Å; N334-S357 PolarHBondContact OD1-OG 2.95Å
335	Q	98.7	Very high	98.3	Very high	36 Å²	36	27.7 Å²	27.7	17%	0.168	14%	0.14	C	C	.	.	S	Bend	trans	-61.3	-28.5	168.9	-175.2	-170	-1	0	0	112.2	L251 F288 K355 L356	L251-Q335 HydrophobicContact CD2-CB 4.29Å; F288-Q335 HydrophobicContact CE1-CG 4.5Å; Q335-K355 HydrophobicContact CB-CB 4.11Å; Q335-K355 HydrophobicContact CG-CB 4.46Å; Q335-K355 HydrophobicContact CG-CD 4.43Å; Q335-L356 HydrophobicContact CB-CB 4.3Å; Q335-L356 WeakPolarHBondContact CB-O 3.5Å; Q335-L356 PolarHBondContact N-O 3.05Å; Q335-L356 VanDerWaalsContact OE1-N 3.16Å
336	G	98.2	Very high	98.2	Very high	16 Å²	16	36.1 Å²	36.1	17%	0.165	18%	0.177	C	C	.	.	S	Bend	trans	-117.6	-131.7	-172.9	0	0	0	0	0	113.8	S289 N334 D353	S289-G336 VanDerWaalsContact CB-O 3.31Å; S289-G336 WeakPolarHBondContact CB-O 3.35Å; S289-G336 PolarHBondContact OG-O 3.44Å; N334-G336 PolarHBondContact O-N 3.16Å; G336-D353 VanDerWaalsContact CA-OD2 3.24Å; G336-D353 WeakPolarHBondContact CA-OD2 3.43Å
337	T	98.3	Very high	98.2	Very high	39 Å²	39	38 Å²	38	24%	0.239	18%	0.184	C	C	.	.			trans	-66.8	153.2	176	-171.4	0	0	0	0	112.8	S289 N334 H339 A352 D353	S289-T337 PolarHBondContact OG-O 3.19Å; N334-T337 WeakPolarHBondContact CB-O 3.47Å; N334-T337 PolarHBondContact ND2-O 2.84Å; T337-H339 VanDerWaalsContact C-N 3.28Å; T337-H339 HydrophobicContact CG2-CB 4.06Å; T337-H339 PolarHBondContact OG1-CD2 2.86Å; T337-H339 PolarHBondContact OG1-N 3.4Å; T337-A352 HydrophobicContact CG2-CB 4.1Å; T337-D353 HydrophobicContact CG2-CB 3.89Å; T337-D353 PolarHBondContact N-OD2 3.08Å
338	Y	98.1	Very high	98.2	Very high	81 Å²	81	38.2 Å²	38.2	32%	0.318	19%	0.185	S	C	.	.	S	Bend	trans	-82.1	-10.6	170.7	67.3	-92.7	0	0	0	112.7	S289 V290 R292	S289-Y338 PolarHBondContact OG-N 3.1Å; V290-Y338 VanDerWaalsContact O-CB 3.24Å; V290-Y338 WeakPolarHBondContact O-CB 3.48Å; R292-Y338 HydrophobicContact CG-CD2 4Å
339	H	98.3	Very high	98.1	Very high	93 Å²	93	38.2 Å²	38.2	43%	0.431	19%	0.185	S	C	.	.			trans	-69.2	137.8	178.8	-67.3	-60.5	0	0	0	110.9	T337 A352	T337-H339 VanDerWaalsContact C-N 3.28Å; T337-H339 HydrophobicContact CG2-CB 4.06Å; T337-H339 PolarHBondContact OG1-CD2 2.86Å; T337-H339 PolarHBondContact OG1-N 3.4Å; H339-A352 HydrophobicContact CB-CB 3.83Å; H339-A352 VanDerWaalsContact O-CB 3.29Å; H339-A352 WeakPolarHBondContact O-CB 3.34Å; H339-A352 PolarHBondContact O-N 2.86Å
340	E	97.9	Very high	98.1	Very high	49 Å²	49	38.2 Å²	38.2	23%	0.229	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	160.6	177.6	77.3	-69.7	177.4	0	0	112.4	I204 S293 T350	I204-E340 HydrophobicContact CD1-CB 3.65Å; S293-E340 WeakPolarHBondContact CB-OE1 3.46Å; S293-E340 PolarHBondContact OG-OE1 3.31Å; S293-E340 PolarHBondContact OG-OE2 2.99Å; E340-T350 CarbonylContact C-O 3.43Å; E340-T350 VanDerWaalsContact CA-O 3.22Å; E340-T350 WeakPolarHBondContact CA-O 3.23Å
341	I	97.9	Very high	98.1	Very high	51 Å²	51	37.4 Å²	37.4	26%	0.262	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.5	163.6	63.8	172.7	0	0	0	108.8	F85 T350 A352	F85-I341 HydrophobicContact CE1-CD1 4.49Å; F85-I341 HydrophobicContact CZ-CD1 4.04Å; I341-T350 VanDerWaalsContact CG1-OG1 3.22Å; I341-T350 WeakPolarHBondContact CG1-OG1 3.47Å; I341-T350 PolarHBondContact N-O 3.4Å; I341-T350 PolarHBondContact O-N 2.86Å; I341-A352 HydrophobicContact CG2-CB 4.13Å
342	H	97.9	Very high	98.1	Very high	85 Å²	85	39.4 Å²	39.4	39%	0.394	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.2	174.8	-65.6	86.8	0	0	0	111	F85 Y294 T348	F85-H342 VanDerWaalsContact CE2-O 3.31Å; F85-H342 WeakPolarHBondContact CE2-O 3.28Å; F85-H342 VanDerWaalsContact CZ-O 3.28Å; F85-H342 WeakPolarHBondContact CZ-O 3.32Å; Y294-H342 AromaticContact CZ-NE2 3.89Å; Y294-H342 PolarHBondContact OH-NE2 3.27Å; H342-T348 WeakPolarHBondContact CA-O 3.44Å
343	W	97.6	Very high	98.1	Very high	13 Å²	13	42.2 Å²	42.2	5%	0.049	21%	0.213	C	C	.	.			trans	-69.9	160.5	168.5	-70.8	10.7	0	0	0	111.4	Y82 F85 F87 L91 P93 D345 K346 T348 T350	Y82-W343 HydrophobicContact CE2-CB 4.29Å; Y82-W343 HydrophobicContact CE2-CE3 4.13Å; F85-W343 AromaticContact CE1-CD1 3.47Å; F85-W343 VanDerWaalsContact CE1-CD1 3.47Å; F85-W343 HydrophobicContact CE1-CG 4.11Å; F85-W343 AromaticContact CE1-NE1 3.98Å; F85-W343 AromaticContact CZ-CD1 3.82Å; F87-W343 HydrophobicContact CD1-CD2 4.5Å; F87-W343 AromaticContact CD1-CE2 3.81Å; F87-W343 AromaticContact CD1-CZ2 3.93Å; F87-W343 HydrophobicContact CD1-CZ2 3.93Å; F87-W343 AromaticContact CD1-NE1 3.86Å; F87-W343 HydrophobicContact CE1-CD2 4.13Å; F87-W343 AromaticContact CE1-CE2 3.86Å; F87-W343 HydrophobicContact CE1-CH2 4.46Å; F87-W343 HydrophobicContact CE1-CZ2 4.03Å; L91-W343 HydrophobicContact CB-CH2 4.44Å; L91-W343 HydrophobicContact CB-CZ2 4.4Å; L91-W343 HydrophobicContact CD2-CH2 4.01Å; L91-W343 HydrophobicContact CD2-CZ2 4.37Å; L91-W343 HydrophobicContact CG-CH2 4.16Å; P93-W343 HydrophobicContact CB-CE3 4.21Å; P93-W343 HydrophobicContact CB-CZ3 3.76Å; P93-W343 HydrophobicContact CG-CZ3 4.25Å; W343-D345 PolarHBondContact O-N 3.15Å; W343-D345 VanDerWaalsContact O-N 3.09Å; W343-K346 PolarHBondContact O-N 3.11Å; W343-K346 VanDerWaalsContact O-N 3.1Å; W343-T348 HydrophobicContact CD2-CG2 3.72Å; W343-T348 HydrophobicContact CE3-CG2 3.7Å; W343-T348 HydrophobicContact CG-CG2 4.16Å; W343-T348 HydrophobicContact CH2-CG2 4.44Å; W343-T348 HydrophobicContact CZ2-CG2 4.45Å; W343-T348 HydrophobicContact CZ3-CG2 4.07Å; W343-T348 PolarHBondContact N-O 2.86Å; W343-T350 HydrophobicContact CZ2-CG2 4.08Å; W343-T350 VanDerWaalsContact NE1-CG2 3.26Å
344	P	96.8	Very high	98.1	Very high	64 Å²	64	43.1 Å²	43.1	42%	0.416	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.1	178.4	-26.5	36.5	0	0	0	116	Y82 F85 K346	Y82-P344 HydrophobicContact CD1-CB 3.7Å; Y82-P344 HydrophobicContact CD1-CG 3.82Å; Y82-P344 HydrophobicContact CD2-CG 4.05Å; Y82-P344 HydrophobicContact CE1-CB 3.92Å; Y82-P344 HydrophobicContact CE1-CG 4.42Å; Y82-P344 HydrophobicContact CG-CB 4.09Å; Y82-P344 HydrophobicContact CG-CG 3.69Å; F85-P344 HydrophobicContact CB-CG 3.92Å; F85-P344 HydrophobicContact CD2-CG 3.74Å; F85-P344 HydrophobicContact CE2-CG 4.4Å; F85-P344 HydrophobicContact CG-CG 3.81Å; P344-K346 PolarHBondContact O-N 2.91Å
345	D	96.8	Very high	98.1	Very high	28 Å²	28	47.7 Å²	47.7	15%	0.15	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.4	171.6	51.8	43.7	0	0	0	114.2	Y82 I208 W343 W347 T348	Y82-D345 WeakPolarHBondContact OH-CB 3.39Å; I208-D345 HydrophobicContact CD1-CB 3.82Å; W343-D345 PolarHBondContact O-N 3.15Å; W343-D345 VanDerWaalsContact O-N 3.09Å; D345-W347 VanDerWaalsContact C-N 3.26Å; D345-W347 PolarHBondContact O-N 3.46Å; D345-W347 PolarHBondContact OD1-N 3.39Å; D345-T348 PolarHBondContact OD1-N 2.95Å; D345-T348 PolarHBondContact OD1-OG1 3.47Å; D345-T348 PolarHBondContact OD2-OG1 2.96Å
346	K	95.7	Very high	98.1	Very high	182 Å²	182	47.5 Å²	47.5	79%	0.791	24%	0.241	S	C	*	.	S	Bend	trans	71.8	9.3	-179	-47.5	172.2	-178.8	173	0	115	W343 P344	W343-K346 PolarHBondContact O-N 3.11Å; W343-K346 VanDerWaalsContact O-N 3.1Å; P344-K346 PolarHBondContact O-N 2.91Å
347	W	98.4	Very high	98.1	Very high	44 Å²	44	47 Å²	47	17%	0.167	24%	0.235	C	C	.	.	S	Bend	trans	-124.8	-55	-177	-73.8	103.2	0	0	0	112.2	Y189 H190 F192 H206 I208 D345 A349	Y189-W347 HydrophobicContact CD1-CH2 4.35Å; Y189-W347 WeakPolarHBondContact O-CH2 3.49Å; Y189-W347 WeakPolarHBondContact O-CZ2 3.41Å; H190-W347 HydrophobicContact CB-CH2 3.74Å; H190-W347 HydrophobicContact CB-CZ2 3.69Å; H190-W347 WeakPolarHBondContact O-CZ2 3.31Å; F192-W347 HydrophobicContact CB-CD2 4.39Å; F192-W347 HydrophobicContact CB-CH2 3.9Å; F192-W347 HydrophobicContact CB-CZ2 3.56Å; F192-W347 HydrophobicContact CB-CZ3 4.46Å; F192-W347 HydrophobicContact CD2-CB 4.37Å; F192-W347 AromaticContact CD2-CD2 3.55Å; F192-W347 HydrophobicContact CD2-CD2 3.55Å; F192-W347 AromaticContact CD2-CE2 3.82Å; F192-W347 AromaticContact CD2-CE3 3.81Å; F192-W347 HydrophobicContact CD2-CE3 3.81Å; F192-W347 AromaticContact CD2-CG 3.8Å; F192-W347 HydrophobicContact CD2-CG 3.8Å; F192-W347 HydrophobicContact CD2-CH2 4.47Å; F192-W347 HydrophobicContact CD2-CZ2 4.29Å; F192-W347 HydrophobicContact CD2-CZ3 4.26Å; F192-W347 HydrophobicContact CE2-CB 4.45Å; F192-W347 HydrophobicContact CE2-CD2 4.36Å; F192-W347 HydrophobicContact CE2-CE3 4.47Å; F192-W347 HydrophobicContact CE2-CG 4.34Å; F192-W347 HydrophobicContact CG-CD2 4.45Å; F192-W347 HydrophobicContact CG-CZ2 4.42Å; H206-W347 HydrophobicContact CB-CB 4.43Å; H206-W347 HydrophobicContact CB-CE3 4.29Å; H206-W347 WeakPolarHBondContact CB-O 3.45Å; I208-W347 HydrophobicContact CD1-CB 4.02Å; I208-W347 HydrophobicContact CD1-CG 4.35Å; I208-W347 HydrophobicContact CG1-CB 4.15Å; D345-W347 VanDerWaalsContact C-N 3.26Å; D345-W347 PolarHBondContact O-N 3.46Å; D345-W347 PolarHBondContact OD1-N 3.39Å; W347-A349 PolarHBondContact O-N 2.89Å
348	T	98.6	Very high	98.1	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.025	23%	0.225	C	C	.	.			trans	-64.7	110.8	-171.9	-49.6	0	0	0	0	109.8	V203 H342 W343 D345 T350	V203-T348 HydrophobicContact CG1-CG2 3.75Å; V203-T348 HydrophobicContact CG2-CG2 3.93Å; H342-T348 WeakPolarHBondContact CA-O 3.44Å; W343-T348 HydrophobicContact CD2-CG2 3.72Å; W343-T348 HydrophobicContact CE3-CG2 3.7Å; W343-T348 HydrophobicContact CG-CG2 4.16Å; W343-T348 HydrophobicContact CH2-CG2 4.44Å; W343-T348 HydrophobicContact CZ2-CG2 4.45Å; W343-T348 HydrophobicContact CZ3-CG2 4.07Å; W343-T348 PolarHBondContact N-O 2.86Å; D345-T348 PolarHBondContact OD1-N 2.95Å; D345-T348 PolarHBondContact OD1-OG1 3.47Å; D345-T348 PolarHBondContact OD2-OG1 2.96Å; T348-T350 HydrophobicContact CG2-CG2 4.12Å
349	A	98.7	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126	174.7	0	0	0	0	0	109.3	V203 I204 C205 Y294 W347	V203-A349 CarbonylContact C-O 3.58Å; V203-A349 WeakPolarHBondContact CA-O 3.31Å; I204-A349 HydrophobicContact CB-CB 4.45Å; I204-A349 PolarHBondContact N-O 3.43Å; C205-A349 PolarHBondContact O-N 2.73Å; Y294-A349 HydrophobicContact CE2-CB 3.75Å; Y294-A349 WeakPolarHBondContact OH-CB 3.15Å; W347-A349 PolarHBondContact O-N 2.89Å
350	T	98.8	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.9	179.4	62.2	0	0	0	0	111.5	S88 E202 V203 E340 I341 W343 T348	S88-T350 PolarHBondContact OG-OG1 3.04Å; E202-T350 HydrophobicContact CG-CG2 4.36Å; E202-T350 CarbonylContact O-C 3.33Å; E202-T350 WeakPolarHBondContact O-CA 3.41Å; E202-T350 WeakPolarHBondContact O-CB 3.27Å; V203-T350 HydrophobicContact CB-CG2 4.48Å; V203-T350 HydrophobicContact CG2-CG2 3.97Å; E340-T350 CarbonylContact C-O 3.43Å; E340-T350 VanDerWaalsContact CA-O 3.22Å; E340-T350 WeakPolarHBondContact CA-O 3.23Å; I341-T350 VanDerWaalsContact CG1-OG1 3.22Å; I341-T350 WeakPolarHBondContact CG1-OG1 3.47Å; I341-T350 PolarHBondContact N-O 3.4Å; I341-T350 PolarHBondContact O-N 2.86Å; W343-T350 HydrophobicContact CZ2-CG2 4.08Å; W343-T350 VanDerWaalsContact NE1-CG2 3.26Å; T348-T350 HydrophobicContact CG2-CG2 4.12Å
351	T	98.8	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	139	170.2	64.6	0	0	0	0	109.9	S88 E202 I204 N334 D353 G354 K355	S88-T351 WeakPolarHBondContact CB-O 3.16Å; S88-T351 PolarHBondContact OG-O 2.76Å; E202-T351 PolarHBondContact O-N 2.84Å; I204-T351 HydrophobicContact CD1-CG2 4.09Å; I204-T351 HydrophobicContact CG1-CG2 3.81Å; N334-T351 HydrophobicContact CB-CG2 4.26Å; T351-D353 PolarHBondContact O-N 3.45Å; T351-G354 PolarHBondContact O-N 3.41Å; T351-G354 WeakPolarHBondContact OG1-CA 3.49Å; T351-G354 PolarHBondContact OG1-N 3.31Å; T351-K355 VanDerWaalsContact CG2-O 3.24Å; T351-K355 WeakPolarHBondContact CG2-O 3.16Å; T351-K355 PolarHBondContact OG1-N 3.26Å; T351-K355 VanDerWaalsContact OG1-N 3.15Å; T351-K355 PolarHBondContact OG1-O 3.29Å
352	A	98.5	Very high	98.3	Very high	41 Å²	41	33.3 Å²	33.3	34%	0.339	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.7	-177.9	0	0	0	0	0	113.2	T337 H339 I341	T337-A352 HydrophobicContact CG2-CB 4.1Å; H339-A352 HydrophobicContact CB-CB 3.83Å; H339-A352 VanDerWaalsContact O-CB 3.29Å; H339-A352 WeakPolarHBondContact O-CB 3.34Å; H339-A352 PolarHBondContact O-N 2.86Å; I341-A352 HydrophobicContact CG2-CB 4.13Å
353	D	98.5	Very high	98.4	Very high	61 Å²	61	29.3 Å²	29.3	33%	0.326	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	5.3	178.4	68.9	-4.3	0	0	0	114.1	G336 T337 T351 K355	G336-D353 VanDerWaalsContact CA-OD2 3.24Å; G336-D353 WeakPolarHBondContact CA-OD2 3.43Å; T337-D353 HydrophobicContact CG2-CB 3.89Å; T337-D353 PolarHBondContact N-OD2 3.08Å; T351-D353 PolarHBondContact O-N 3.45Å; D353-K355 PolarHBondContact O-N 3.13Å; D353-K355 WeakPolarHBondContact OD1-CB 3.25Å; D353-K355 PolarHBondContact OD1-N 3.04Å; D353-K355 IonicContact OD2-NZ 2.89Å
354	G	98.4	Very high	98.4	Very high	18 Å²	18	28.7 Å²	28.7	19%	0.186	15%	0.15	C	C	.	.			trans	70	11.6	176.2	0	0	0	0	0	114.7	S88 T351	S88-G354 VanDerWaalsContact O-CA 3.3Å; S88-G354 WeakPolarHBondContact O-CA 3.28Å; T351-G354 PolarHBondContact O-N 3.41Å; T351-G354 WeakPolarHBondContact OG1-CA 3.49Å; T351-G354 PolarHBondContact OG1-N 3.31Å
355	K	98.7	Very high	98.5	Very high	96 Å²	96	25.9 Å²	25.9	42%	0.417	13%	0.132	S	C	.	.			trans	-86	165.8	175.7	-63.1	-174.4	-173.5	165.6	0	111.6	E202 Q335 T351 D353	E202-K355 WeakPolarHBondContact CA-O 3.39Å; E202-K355 WeakPolarHBondContact CB-O 3.37Å; Q335-K355 HydrophobicContact CB-CB 4.11Å; Q335-K355 HydrophobicContact CG-CB 4.46Å; Q335-K355 HydrophobicContact CG-CD 4.43Å; T351-K355 VanDerWaalsContact CG2-O 3.24Å; T351-K355 WeakPolarHBondContact CG2-O 3.16Å; T351-K355 PolarHBondContact OG1-N 3.26Å; T351-K355 VanDerWaalsContact OG1-N 3.15Å; T351-K355 PolarHBondContact OG1-O 3.29Å; D353-K355 PolarHBondContact O-N 3.13Å; D353-K355 WeakPolarHBondContact OD1-CB 3.25Å; D353-K355 PolarHBondContact OD1-N 3.04Å; D353-K355 IonicContact OD2-NZ 2.89Å
356	L	98.8	Very high	98.6	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.168	13%	0.125	C	C	.	.			trans	-63.1	146	-175.2	-58.7	176.8	0	0	0	112.7	N201 I219 A248 L251 Q335	N201-L356 HydrophobicContact CB-CD2 3.67Å; I219-L356 HydrophobicContact CD1-CB 4.18Å; I219-L356 HydrophobicContact CD1-CD1 4.39Å; I219-L356 HydrophobicContact CD1-CD2 4.43Å; I219-L356 HydrophobicContact CG1-CD2 4.41Å; A248-L356 HydrophobicContact CB-CD1 3.62Å; L251-L356 HydrophobicContact CD2-CB 3.53Å; Q335-L356 HydrophobicContact CB-CB 4.3Å; Q335-L356 WeakPolarHBondContact CB-O 3.5Å; Q335-L356 PolarHBondContact N-O 3.05Å; Q335-L356 VanDerWaalsContact OE1-N 3.16Å
357	S	98.9	Very high	98.8	Very high	5 Å²	5	17.4 Å²	17.4	4%	0.035	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.6	166.1	-165.3	0	0	0	0	109.6	N201 I219 I333 N334	N201-S357 PolarHBondContact O-N 3.17Å; I219-S357 VanDerWaalsContact CD1-O 3.32Å; I219-S357 WeakPolarHBondContact CD1-O 3.5Å; I333-S357 WeakPolarHBondContact O-CA 3.47Å; I333-S357 PolarHBondContact O-OG 3.22Å; N334-S357 VanDerWaalsContact OD1-CB 3.32Å; N334-S357 WeakPolarHBondContact OD1-CB 3.46Å; N334-S357 PolarHBondContact OD1-OG 2.95Å
358	A	98.9	Very high	98.7	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.1	171.5	0	0	0	0	0	109.6	I219 T238 L251 V252 T255 M332 I333	I219-A358 HydrophobicContact CD1-CB 4.46Å; T238-A358 HydrophobicContact CG2-CB 4.16Å; L251-A358 HydrophobicContact CD2-CB 4.21Å; L251-A358 HydrophobicContact CG-CB 3.98Å; V252-A358 HydrophobicContact CG2-CB 4.26Å; T255-A358 HydrophobicContact CG2-CB 4.22Å; T255-A358 WeakPolarHBondContact CG2-O 3.39Å; M332-A358 WeakPolarHBondContact CA-O 3.27Å; I333-A358 PolarHBondContact N-O 3.23Å; I333-A358 PolarHBondContact O-N 2.92Å
359	Q	98.9	Very high	98.7	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.2	179.9	-170.1	-175.1	3.8	0	0	110.8	N221 N236 T238 E330 P331 M332	N221-Q359 PolarHBondContact ND2-O 3.07Å; N236-Q359 VanDerWaalsContact ND2-CD 3.26Å; N236-Q359 PolarHBondContact ND2-NE2 3.46Å; N236-Q359 VanDerWaalsContact ND2-NE2 3.11Å; N236-Q359 WeakPolarHBondContact OD1-CG 3.37Å; N236-Q359 PolarHBondContact OD1-O 3Å; T238-Q359 PolarHBondContact N-O 3.4Å; T238-Q359 PolarHBondContact OG1-N 3.04Å; T238-Q359 PolarHBondContact OG1-O 3.34Å; E330-Q359 PolarHBondContact O-NE2 3.26Å; P331-Q359 WeakPolarHBondContact O-CA 3.22Å; M332-Q359 HydrophobicContact CG-CB 3.99Å; M332-Q359 HydrophobicContact CG-CG 3.67Å
360	F	98.9	Very high	98.7	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.018	17%	0.165	C	C	.	.			trans	-137.1	148	166.4	-76.5	-91	0	0	0	108.4	N236 E237 V252 T255 Y256 L259 E330 P331 P384 F386	N236-F360 WeakPolarHBondContact O-CA 3.28Å; N236-F360 VanDerWaalsContact OD1-C 3.26Å; N236-F360 WeakPolarHBondContact OD1-CA 3.32Å; N236-F360 PolarHBondContact OD1-N 2.99Å; E237-F360 HydrophobicContact CB-CD1 4.08Å; E237-F360 HydrophobicContact CB-CE1 3.82Å; E237-F360 HydrophobicContact CG-CD1 3.88Å; E237-F360 HydrophobicContact CG-CE1 3.92Å; V252-F360 HydrophobicContact CG1-CE2 3.84Å; V252-F360 HydrophobicContact CG1-CZ 3.83Å; V252-F360 WeakPolarHBondContact O-CE2 3.41Å; T255-F360 HydrophobicContact CG2-CD2 3.8Å; Y256-F360 HydrophobicContact CD2-CD1 4.13Å; Y256-F360 HydrophobicContact CD2-CG 4.32Å; L259-F360 HydrophobicContact CB-CB 4.46Å; L259-F360 HydrophobicContact CD2-CB 3.62Å; E330-F360 CarbonylContact C-O 3.28Å; E330-F360 VanDerWaalsContact CA-O 3.31Å; E330-F360 WeakPolarHBondContact CA-O 3.2Å; P331-F360 WeakPolarHBondContact CD-O 3.07Å; F360-P384 HydrophobicContact CD1-CB 4.4Å; F360-P384 HydrophobicContact CE1-CB 3.82Å; F360-P384 HydrophobicContact CE1-CG 4.44Å; F360-F386 AromaticContact CE1-CD1 3.78Å; F360-F386 HydrophobicContact CE1-CD1 3.78Å; F360-F386 AromaticContact CE1-CE1 3.89Å; F360-F386 HydrophobicContact CE1-CE1 3.89Å; F360-F386 HydrophobicContact CE2-CD1 4.38Å; F360-F386 HydrophobicContact CE2-CE1 4.16Å; F360-F386 AromaticContact CZ-CD1 3.35Å; F360-F386 HydrophobicContact CZ-CD1 3.35Å; F360-F386 AromaticContact CZ-CE1 3.44Å; F360-F386 HydrophobicContact CZ-CE1 3.44Å; F360-F386 VanDerWaalsContact CZ-CE1 3.44Å; F360-F386 HydrophobicContact CZ-CG 4.34Å
361	E	98.9	Very high	98.7	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.4	-179.8	173	177.9	-167.6	0	0	113.3	N236 T328 I329 E330	N236-E361 HydrophobicContact CB-CB 4.25Å; N236-E361 VanDerWaalsContact CG-CB 3.46Å; N236-E361 WeakPolarHBondContact ND2-CB 3.31Å; N236-E361 PolarHBondContact ND2-OE2 3.34Å; N236-E361 PolarHBondContact O-N 3.38Å; N236-E361 PolarHBondContact OD1-N 3.24Å; T328-E361 WeakPolarHBondContact CB-OE1 3.42Å; T328-E361 WeakPolarHBondContact CG2-OE1 3.41Å; I329-E361 WeakPolarHBondContact O-CA 3.46Å; E330-E361 HydrophobicContact CB-CB 3.69Å; E330-E361 HydrophobicContact CB-CG 3.7Å
362	H	98.9	Very high	98.7	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.069	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.9	163.1	-78.3	-56.3	0	0	0	112.1	I263 T328 I329 L364 I373 T375	I263-H362 HydrophobicContact CD1-CB 4.45Å; T328-H362 WeakPolarHBondContact CA-O 3.49Å; I329-H362 PolarHBondContact N-O 2.82Å; I329-H362 PolarHBondContact O-N 3.31Å; H362-L364 HydrophobicContact CB-CD2 3.93Å; H362-I373 HydrophobicContact CB-CG2 3.79Å; H362-I373 VanDerWaalsContact CG-CG2 3.41Å; H362-T375 WeakPolarHBondContact CA-OG1 3.46Å; H362-T375 PolarHBondContact CE1-O 3.49Å; H362-T375 PolarHBondContact ND1-OG1 3.4Å
363	T	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.1	158.3	-62.5	0	0	0	0	109.9	M142 D234 I299 L374 T375	M142-T363 HydrophobicContact CE-CG2 3.66Å; D234-T363 PolarHBondContact N-OG1 2.95Å; D234-T363 VanDerWaalsContact N-OG1 3.16Å; D234-T363 PolarHBondContact O-N 2.66Å; D234-T363 PolarHBondContact O-OG1 3.11Å; I299-T363 HydrophobicContact CG2-CG2 3.67Å; T363-L374 HydrophobicContact CG2-CD1 4.22Å; T363-L374 PolarHBondContact O-N 3.08Å; T363-T375 PolarHBondContact N-OG1 3.28Å
364	L	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.3	-177.3	-52.2	177.8	0	0	0	111.1	I263 V266 T326 F327 I329 H362 D372 I373	I263-L364 HydrophobicContact CD1-CD2 4.09Å; I263-L364 HydrophobicContact CG1-CD1 3.99Å; I263-L364 HydrophobicContact CG1-CD2 4.13Å; V266-L364 HydrophobicContact CG1-CD1 4.46Å; V266-L364 HydrophobicContact CG2-CD1 3.98Å; T326-L364 VanDerWaalsContact CA-O 3.23Å; T326-L364 WeakPolarHBondContact CA-O 3.38Å; F327-L364 HydrophobicContact CE1-CB 4.43Å; F327-L364 HydrophobicContact CE2-CD1 4.22Å; F327-L364 HydrophobicContact CZ-CD1 4.1Å; F327-L364 PolarHBondContact N-O 3.21Å; F327-L364 VanDerWaalsContact N-O 3.13Å; F327-L364 PolarHBondContact O-N 2.94Å; I329-L364 HydrophobicContact CD1-CD1 3.57Å; I329-L364 HydrophobicContact CG1-CD1 3.82Å; H362-L364 HydrophobicContact CB-CD2 3.93Å; L364-D372 WeakPolarHBondContact CA-O 3.48Å; L364-I373 HydrophobicContact CD2-CB 4.32Å; L364-I373 HydrophobicContact CD2-CG1 4Å; L364-I373 HydrophobicContact CD2-CG2 4.25Å
365	L	98.9	Very high	98.7	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.4	166.7	170.1	68	0	0	0	109.3	I139 H325 T326 T367 C371 D372 L374	I139-L365 HydrophobicContact CD1-CD1 4.35Å; I139-L365 HydrophobicContact CG1-CD1 4.09Å; I139-L365 HydrophobicContact CG1-CD2 4.39Å; I139-L365 HydrophobicContact CG2-CD2 3.65Å; H325-L365 WeakPolarHBondContact O-CA 3.28Å; T326-L365 HydrophobicContact CG2-CB 4.21Å; T326-L365 HydrophobicContact CG2-CD1 3.65Å; L365-T367 PolarHBondContact O-N 3.18Å; L365-C371 CarbonylContact O-C 3.22Å; L365-C371 WeakPolarHBondContact O-CA 3.45Å; L365-C371 WeakPolarHBondContact O-CB 3.4Å; L365-D372 HydrophobicContact CB-CB 4.43Å; L365-D372 PolarHBondContact N-O 3Å; L365-D372 PolarHBondContact O-N 2.9Å; L365-L374 HydrophobicContact CB-CD1 4.05Å; L365-L374 HydrophobicContact CB-CD2 3.89Å; L365-L374 HydrophobicContact CB-CG 4.01Å; L365-L374 HydrophobicContact CD2-CD2 4.39Å
366	V	98.9	Very high	98.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.7	174	-176.2	0	0	0	0	109.7	V266 P268 M321 K322 T323 G324 H325 F327	V266-V366 HydrophobicContact CG1-CG2 4.07Å; P268-V366 HydrophobicContact CG-CG1 3.89Å; M321-V366 HydrophobicContact CB-CG1 4.39Å; M321-V366 HydrophobicContact CB-CG2 4.21Å; M321-V366 HydrophobicContact CG-CG2 4.45Å; K322-V366 VanDerWaalsContact O-CB 3.27Å; K322-V366 WeakPolarHBondContact O-CB 3.44Å; K322-V366 WeakPolarHBondContact O-CG1 3.25Å; T323-V366 WeakPolarHBondContact CA-O 3.45Å; G324-V366 PolarHBondContact N-O 3.41Å; H325-V366 HydrophobicContact CB-CB 4.4Å; H325-V366 HydrophobicContact CB-CG2 4.04Å; H325-V366 PolarHBondContact O-N 3.13Å; F327-V366 HydrophobicContact CD1-CG2 4.38Å; F327-V366 HydrophobicContact CE1-CG2 3.65Å
367	T	98.7	Very high	98.6	Very high	32 Å²	32	27.7 Å²	27.7	20%	0.196	16%	0.16	C	C	.	.			trans	-108	178.9	175.8	64.4	0	0	0	0	110.3	P268 L365 T369 G370 D372	P268-T367 WeakPolarHBondContact CD-O 3.24Å; P268-T367 WeakPolarHBondContact CG-O 3.49Å; L365-T367 PolarHBondContact O-N 3.18Å; T367-T369 PolarHBondContact O-N 3Å; T367-G370 PolarHBondContact N-O 3.13Å; T367-G370 VanDerWaalsContact OG1-C 3.24Å; T367-G370 PolarHBondContact OG1-N 2.92Å; T367-G370 PolarHBondContact OG1-O 3.39Å; T367-D372 HydrophobicContact CG2-CB 4.47Å
368	D	98.1	Very high	98.4	Very high	130 Å²	130	32.6 Å²	32.6	70%	0.695	19%	0.191	S	C	*	.	S	Bend	trans	-62.9	-26.4	-176.7	-68.5	-26.4	0	0	0	114.4	T323	T323-D368 WeakPolarHBondContact CB-OD1 3.33Å; T323-D368 WeakPolarHBondContact CG2-OD1 3.1Å; T323-D368 PolarHBondContact OG1-OD1 3.06Å
369	T	97.9	Very high	98.2	Very high	129 Å²	129	35.8 Å²	35.8	79%	0.791	21%	0.211	S	C	*	.	S	Bend	trans	-121.4	-6.9	-174.5	56.6	0	0	0	0	113.9	T367	T367-T369 PolarHBondContact O-N 3Å
370	G	98.6	Very high	97.8	Very high	15 Å²	15	39.9 Å²	39.9	16%	0.155	23%	0.233	C	C	.	.	S	Bend	trans	-177	-132	-172.6	0	0	0	0	0	112.3	V266 T367	V266-G370 CarbonylContact O-C 3.59Å; V266-G370 WeakPolarHBondContact O-CA 3.44Å; T367-G370 PolarHBondContact N-O 3.13Å; T367-G370 VanDerWaalsContact OG1-C 3.24Å; T367-G370 PolarHBondContact OG1-N 2.92Å; T367-G370 PolarHBondContact OG1-O 3.39Å
371	C	98.8	Very high	97.5	Very high	29 Å²	29	43.8 Å²	43.8	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.6	169.8	64.3	0	0	0	0	112	V266 L365	V266-C371 HydrophobicContact CB-CB 4.16Å; V266-C371 HydrophobicContact CG1-CB 3.61Å; L365-C371 CarbonylContact O-C 3.22Å; L365-C371 WeakPolarHBondContact O-CA 3.45Å; L365-C371 WeakPolarHBondContact O-CB 3.4Å
372	D	98.6	Very high	97.3	Very high	60 Å²	60	44.3 Å²	44.3	32%	0.321	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.4	162.4	-65.2	-15.5	0	0	0	109.4	R143 L364 L365 T367 L374	R143-D372 IonicContact CZ-OD2 3.82Å; R143-D372 VanDerWaalsContact CZ-OD2 3.23Å; R143-D372 IonicContact NH1-OD2 2.94Å; R143-D372 PolarHBondContact NH1-OD2 3Å; R143-D372 IonicContact NH2-OD2 3.27Å; R143-D372 PolarHBondContact NH2-OD2 3.04Å; L364-D372 WeakPolarHBondContact CA-O 3.48Å; L365-D372 HydrophobicContact CB-CB 4.43Å; L365-D372 PolarHBondContact N-O 3Å; L365-D372 PolarHBondContact O-N 2.9Å; T367-D372 HydrophobicContact CG2-CB 4.47Å; D372-L374 HydrophobicContact CB-CD2 3.99Å; D372-L374 PolarHBondContact O-N 3.07Å
373	I	98.7	Very high	97.1	Very high	56 Å²	56	47.7 Å²	47.7	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	101	170.6	-53.6	175.6	0	0	0	107.2	I263 H362 L364 T375 V376	I263-I373 HydrophobicContact CD1-CD1 4.25Å; I263-I373 HydrophobicContact CG2-CD1 4.09Å; I263-I373 HydrophobicContact CG2-CG1 4.21Å; H362-I373 HydrophobicContact CB-CG2 3.79Å; H362-I373 VanDerWaalsContact CG-CG2 3.41Å; L364-I373 HydrophobicContact CD2-CB 4.32Å; L364-I373 HydrophobicContact CD2-CG1 4Å; L364-I373 HydrophobicContact CD2-CG2 4.25Å; I373-T375 VanDerWaalsContact C-N 3.3Å; I373-T375 PolarHBondContact O-N 3.34Å; I373-V376 HydrophobicContact CB-CB 4.07Å; I373-V376 HydrophobicContact CG2-CB 3.86Å; I373-V376 VanDerWaalsContact O-CG1 3.31Å; I373-V376 WeakPolarHBondContact O-CG1 3.42Å; I373-V376 PolarHBondContact O-N 3.5Å
374	L	98.8	Very high	97	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.2	-170.5	-59.7	-169.1	0	0	0	113.2	M142 R143 C146 T363 L365 D372	M142-L374 HydrophobicContact CB-CD1 3.91Å; M142-L374 HydrophobicContact CE-CD1 4.39Å; R143-L374 HydrophobicContact CG-CD2 4.02Å; R143-L374 VanDerWaalsContact NH1-CD2 3.33Å; C146-L374 HydrophobicContact CB-CB 3.56Å; C146-L374 WeakPolarHBondContact CB-O 3.46Å; T363-L374 HydrophobicContact CG2-CD1 4.22Å; T363-L374 PolarHBondContact O-N 3.08Å; L365-L374 HydrophobicContact CB-CD1 4.05Å; L365-L374 HydrophobicContact CB-CD2 3.89Å; L365-L374 HydrophobicContact CB-CG 4.01Å; L365-L374 HydrophobicContact CD2-CD2 4.39Å; D372-L374 HydrophobicContact CB-CD2 3.99Å; D372-L374 PolarHBondContact O-N 3.07Å
375	T	98.8	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	19.9	-179.1	53.1	0	0	0	0	113.3	C146 R150 D234 L235 H362 T363 I373	C146-T375 HydrophobicContact CB-CG2 3.52Å; R150-T375 PolarHBondContact NE-O 3.46Å; R150-T375 PolarHBondContact NH2-O 3.29Å; R150-T375 VanDerWaalsContact NH2-O 3.08Å; D234-T375 WeakPolarHBondContact O-CG2 3.47Å; L235-T375 HydrophobicContact CB-CG2 3.99Å; L235-T375 HydrophobicContact CD1-CG2 4.38Å; L235-T375 HydrophobicContact CD2-CG2 4.44Å; L235-T375 HydrophobicContact CG-CG2 4.49Å; H362-T375 WeakPolarHBondContact CA-OG1 3.46Å; H362-T375 PolarHBondContact CE1-O 3.49Å; H362-T375 PolarHBondContact ND1-OG1 3.4Å; T363-T375 PolarHBondContact N-OG1 3.28Å; I373-T375 VanDerWaalsContact C-N 3.3Å; I373-T375 PolarHBondContact O-N 3.34Å
376	V	98.1	Very high	96.7	Very high	62 Å²	62	50.6 Å²	50.6	38%	0.376	31%	0.307	S	S	.	.			trans	-60.5	141.9	176	68.3	0	0	0	0	110.8	I373	I373-V376 HydrophobicContact CB-CB 4.07Å; I373-V376 HydrophobicContact CG2-CB 3.86Å; I373-V376 VanDerWaalsContact O-CG1 3.31Å; I373-V376 WeakPolarHBondContact O-CG1 3.42Å; I373-V376 PolarHBondContact O-N 3.5Å
377	R	97.1	Very high	96.5	Very high	14 Å²	14	53.5 Å²	53.5	5%	0.053	32%	0.322	C	S	.	.			trans	-68.7	130.6	174.6	-165.8	179.7	170.7	-155.8	0.6	109.9	T379 G382 Q383 D388	R377-T379 VanDerWaalsContact C-N 3.28Å; R377-T379 PolarHBondContact NE-OG1 2.97Å; R377-T379 PolarHBondContact O-N 3.46Å; R377-G382 VanDerWaalsContact O-CA 3.29Å; R377-G382 WeakPolarHBondContact O-CA 3.11Å; R377-Q383 VanDerWaalsContact CD-O 3.25Å; R377-Q383 WeakPolarHBondContact CD-O 3.38Å; R377-Q383 PolarHBondContact NH1-O 2.93Å; R377-Q383 VanDerWaalsContact NH1-O 3.1Å; R377-D388 IonicContact CZ-OD1 3.19Å; R377-D388 IonicContact CZ-OD2 3.5Å; R377-D388 VanDerWaalsContact CZ-OD2 3.27Å; R377-D388 VanDerWaalsContact NH1-CG 3.31Å; R377-D388 IonicContact NH1-OD1 2.97Å; R377-D388 PolarHBondContact NH1-OD1 3.23Å; R377-D388 IonicContact NH1-OD2 3.12Å; R377-D388 PolarHBondContact NH1-OD2 2.92Å; R377-D388 IonicContact NH2-OD1 3.53Å; R377-D388 IonicContact NH2-OD2 3.62Å; R377-D388 PolarHBondContact NH2-OD2 3.38Å
378	P	94.8	Very high	96.1	Very high	107 Å²	107	54.7 Å²	54.7	70%	0.695	33%	0.327	S	S	*	.	S	Bend	trans	-75	-17.9	-177.3	28.6	-34.6	0	0	0	113.4
379	T	93.4	Very high	94.8	Very high	70 Å²	70	55.2 Å²	55.2	43%	0.429	33%	0.33	S	S	.	.	S	Bend	trans	-101.6	169.1	179.7	57.1	0	0	0	0	111.7	R377 G381 G382	R377-T379 VanDerWaalsContact C-N 3.28Å; R377-T379 PolarHBondContact NE-OG1 2.97Å; R377-T379 PolarHBondContact O-N 3.46Å; T379-G381 PolarHBondContact O-N 2.84Å; T379-G382 PolarHBondContact O-N 3.43Å
380	N	91.4	Very high	93.2	Very high	89 Å²	89	56.5 Å²	56.5	48%	0.476	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	50.8	32.9	174.7	-60.4	-9.1	0	0	0	114.6	G382 Q383 D388	N380-G382 PolarHBondContact O-N 2.63Å; N380-Q383 WeakPolarHBondContact O-CB 3.46Å; N380-Q383 WeakPolarHBondContact O-CG 3.38Å; N380-Q383 PolarHBondContact O-N 2.69Å; N380-D388 VanDerWaalsContact ND2-CG 3.32Å; N380-D388 PolarHBondContact ND2-OD1 3.33Å; N380-D388 PolarHBondContact ND2-OD2 3.32Å
381	G	91.9	Very high	92.9	Very high	86 Å²	86	58.6 Å²	58.6	89%	0.887	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	66	22.3	179.2	0	0	0	0	0	114.7	T379 Q383	T379-G381 PolarHBondContact O-N 2.84Å; G381-Q383 VanDerWaalsContact C-N 3.33Å
382	G	94.1	Very high	92.6	Very high	13 Å²	13	60.1 Å²	60.1	13%	0.134	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	82.4	8.4	-177.7	0	0	0	0	0	114.5	R377 T379 N380	R377-G382 VanDerWaalsContact O-CA 3.29Å; R377-G382 WeakPolarHBondContact O-CA 3.11Å; T379-G382 PolarHBondContact O-N 3.43Å; N380-G382 PolarHBondContact O-N 2.63Å
383	Q	94.7	Very high	92.3	Very high	87 Å²	87	60.1 Å²	60.1	41%	0.407	34%	0.341	S	S	.	.			trans	-70.3	141.2	177.4	-68.7	-178.2	-12.2	0	0	111.8	R377 N380 G381 M387	R377-Q383 VanDerWaalsContact CD-O 3.25Å; R377-Q383 WeakPolarHBondContact CD-O 3.38Å; R377-Q383 PolarHBondContact NH1-O 2.93Å; R377-Q383 VanDerWaalsContact NH1-O 3.1Å; N380-Q383 WeakPolarHBondContact O-CB 3.46Å; N380-Q383 WeakPolarHBondContact O-CG 3.38Å; N380-Q383 PolarHBondContact O-N 2.69Å; G381-Q383 VanDerWaalsContact C-N 3.33Å; Q383-M387 HydrophobicContact CB-CB 4.47Å; Q383-M387 HydrophobicContact CB-SD 4.36Å; Q383-M387 HydrophobicContact CG-SD 4.41Å
384	P	96.9	Very high	91.9	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.026	34%	0.344	C	S	.	.			trans	-67.4	156.5	178.1	30.5	-37.9	0	0	0	111.5	E237 Y256 F360 F386 M387	E237-P384 VanDerWaalsContact OE2-CA 3.32Å; E237-P384 WeakPolarHBondContact OE2-CA 3.5Å; E237-P384 VanDerWaalsContact OE2-CB 3.28Å; E237-P384 WeakPolarHBondContact OE2-CB 3.29Å; Y256-P384 HydrophobicContact CD1-CG 4.09Å; Y256-P384 HydrophobicContact CD2-CB 4.34Å; Y256-P384 HydrophobicContact CD2-CG 3.72Å; Y256-P384 HydrophobicContact CE1-CG 4.01Å; Y256-P384 HydrophobicContact CE2-CB 4.32Å; Y256-P384 HydrophobicContact CE2-CG 3.64Å; Y256-P384 HydrophobicContact CG-CG 3.94Å; Y256-P384 VanDerWaalsContact CZ-CD 3.44Å; F360-P384 HydrophobicContact CD1-CB 4.4Å; F360-P384 HydrophobicContact CE1-CB 3.82Å; F360-P384 HydrophobicContact CE1-CG 4.44Å; P384-F386 VanDerWaalsContact C-N 3.27Å; P384-F386 HydrophobicContact CB-CD1 3.8Å; P384-F386 HydrophobicContact CB-CE1 3.89Å; P384-F386 HydrophobicContact CG-CD1 3.59Å; P384-F386 HydrophobicContact CG-CE1 3.23Å; P384-F386 HydrophobicContact CG-CZ 4.16Å; P384-F386 PolarHBondContact O-N 3.44Å; P384-M387 HydrophobicContact CG-CG 4.01Å; P384-M387 HydrophobicContact CG-SD 3.93Å; P384-M387 WeakPolarHBondContact O-CB 3.05Å; P384-M387 PolarHBondContact O-N 2.84Å
385	W	97.1	Very high	91.5	Very high	55 Å²	55	63.1 Å²	63.1	21%	0.208	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-56.6	-36.5	-173.6	-85.4	88.1	0	0	0	114.1	D154 A157 A158 E237 F239 M387 D388	D154-W385 HydrophobicContact CB-CZ2 4.04Å; D154-W385 WeakPolarHBondContact O-CZ2 3.24Å; D154-W385 PolarHBondContact OD1-NE1 2.9Å; A157-W385 HydrophobicContact CB-CD2 3.7Å; A157-W385 VanDerWaalsContact CB-CE2 3.43Å; A157-W385 HydrophobicContact CB-CE3 4.25Å; A157-W385 HydrophobicContact CB-CG 4.03Å; A157-W385 HydrophobicContact CB-CH2 4.31Å; A157-W385 HydrophobicContact CB-CZ2 3.78Å; A158-W385 HydrophobicContact CB-CH2 3.97Å; E237-W385 PolarHBondContact OE2-N 3.01Å; F239-W385 HydrophobicContact CD1-CB 3.85Å; F239-W385 HydrophobicContact CD1-CG 4.39Å; F239-W385 HydrophobicContact CE1-CB 3.46Å; F239-W385 VanDerWaalsContact CE1-CB 3.46Å; F239-W385 AromaticContact CE1-CD1 3.89Å; F239-W385 HydrophobicContact CE1-CD2 4.32Å; F239-W385 AromaticContact CE1-CG 3.62Å; F239-W385 HydrophobicContact CE1-CG 3.62Å; F239-W385 HydrophobicContact CZ-CB 4.5Å; W385-M387 PolarHBondContact O-N 2.72Å; W385-M387 VanDerWaalsContact O-N 3.11Å; W385-D388 WeakPolarHBondContact O-CB 3.34Å; W385-D388 PolarHBondContact O-N 3.22Å; W385-D388 VanDerWaalsContact O-N 3.08Å
386	F	95.6	Very high	91	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.026	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-61.1	-25.3	-178.4	82.2	-86.9	0	0	0	112.4	L240 V252 R253 Y256 F360 P384 F390	L240-F386 HydrophobicContact CD1-CB 4.5Å; L240-F386 HydrophobicContact CG-CB 4.17Å; V252-F386 HydrophobicContact CG1-CB 4.11Å; V252-F386 HydrophobicContact CG1-CD1 3.91Å; V252-F386 HydrophobicContact CG1-CD2 3.66Å; V252-F386 HydrophobicContact CG1-CE1 4.2Å; V252-F386 HydrophobicContact CG1-CE2 4.04Å; V252-F386 HydrophobicContact CG1-CG 3.63Å; V252-F386 HydrophobicContact CG1-CZ 4.29Å; R253-F386 HydrophobicContact CB-CE2 4.14Å; R253-F386 HydrophobicContact CB-CZ 4.46Å; Y256-F386 HydrophobicContact CD1-CE1 4.23Å; Y256-F386 HydrophobicContact CD1-CZ 4.15Å; Y256-F386 AromaticContact CG-CE1 3.93Å; Y256-F386 HydrophobicContact CG-CE1 3.93Å; Y256-F386 HydrophobicContact CG-CZ 4.2Å; F360-F386 AromaticContact CE1-CD1 3.78Å; F360-F386 HydrophobicContact CE1-CD1 3.78Å; F360-F386 AromaticContact CE1-CE1 3.89Å; F360-F386 HydrophobicContact CE1-CE1 3.89Å; F360-F386 HydrophobicContact CE2-CD1 4.38Å; F360-F386 HydrophobicContact CE2-CE1 4.16Å; F360-F386 AromaticContact CZ-CD1 3.35Å; F360-F386 HydrophobicContact CZ-CD1 3.35Å; F360-F386 AromaticContact CZ-CE1 3.44Å; F360-F386 HydrophobicContact CZ-CE1 3.44Å; F360-F386 VanDerWaalsContact CZ-CE1 3.44Å; F360-F386 HydrophobicContact CZ-CG 4.34Å; P384-F386 VanDerWaalsContact C-N 3.27Å; P384-F386 HydrophobicContact CB-CD1 3.8Å; P384-F386 HydrophobicContact CB-CE1 3.89Å; P384-F386 HydrophobicContact CG-CD1 3.59Å; P384-F386 HydrophobicContact CG-CE1 3.23Å; P384-F386 HydrophobicContact CG-CZ 4.16Å; P384-F386 PolarHBondContact O-N 3.44Å; F386-F390 HydrophobicContact CD2-CD2 4.24Å; F386-F390 AromaticContact CD2-CE2 3.54Å; F386-F390 HydrophobicContact CD2-CE2 3.54Å; F386-F390 HydrophobicContact CD2-CZ 4.18Å; F386-F390 HydrophobicContact CE2-CE2 4.07Å; F386-F390 HydrophobicContact CE2-CZ 4.43Å; F386-F390 WeakPolarHBondContact O-CD2 3.01Å; F386-F390 WeakPolarHBondContact O-CE2 3.21Å
387	M	94.8	Very high	90.5	Very high	62 Å²	62	67.6 Å²	67.6	31%	0.305	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-78.6	-15.8	179.3	-66.9	-174.4	67.9	0	0	114	Y256 Q383 P384 W385 N389 F390	Y256-M387 HydrophobicContact CD1-SD 4.32Å; Y256-M387 HydrophobicContact CE1-SD 4Å; Q383-M387 HydrophobicContact CB-CB 4.47Å; Q383-M387 HydrophobicContact CB-SD 4.36Å; Q383-M387 HydrophobicContact CG-SD 4.41Å; P384-M387 HydrophobicContact CG-CG 4.01Å; P384-M387 HydrophobicContact CG-SD 3.93Å; P384-M387 WeakPolarHBondContact O-CB 3.05Å; P384-M387 PolarHBondContact O-N 2.84Å; W385-M387 PolarHBondContact O-N 2.72Å; W385-M387 VanDerWaalsContact O-N 3.11Å; M387-N389 PolarHBondContact O-N 3.2Å; M387-N389 VanDerWaalsContact O-N 3.16Å; M387-F390 PolarHBondContact O-N 3.42Å
388	D	90.9	Very high	90	Very high	58 Å²	58	71.8 Å²	71.8	31%	0.31	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-65.5	-19	178.9	-69.4	-6.8	0	0	0	112.6	R377 N380 W385	R377-D388 IonicContact CZ-OD1 3.19Å; R377-D388 IonicContact CZ-OD2 3.5Å; R377-D388 VanDerWaalsContact CZ-OD2 3.27Å; R377-D388 VanDerWaalsContact NH1-CG 3.31Å; R377-D388 IonicContact NH1-OD1 2.97Å; R377-D388 PolarHBondContact NH1-OD1 3.23Å; R377-D388 IonicContact NH1-OD2 3.12Å; R377-D388 PolarHBondContact NH1-OD2 2.92Å; R377-D388 IonicContact NH2-OD1 3.53Å; R377-D388 IonicContact NH2-OD2 3.62Å; R377-D388 PolarHBondContact NH2-OD2 3.38Å; N380-D388 VanDerWaalsContact ND2-CG 3.32Å; N380-D388 PolarHBondContact ND2-OD1 3.33Å; N380-D388 PolarHBondContact ND2-OD2 3.32Å; W385-D388 WeakPolarHBondContact O-CB 3.34Å; W385-D388 PolarHBondContact O-N 3.22Å; W385-D388 VanDerWaalsContact O-N 3.08Å
389	N	70.5	Confident	89.6	Confident	141 Å²	141	68.8 Å²	68.8	75%	0.754	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-112.1	16.2	-176.2	-62.7	-50.1	0	0	0	113.5	M387	M387-N389 PolarHBondContact O-N 3.2Å; M387-N389 VanDerWaalsContact O-N 3.16Å
390	F	63.9	Low	89.2	Confident	155 Å²	155	68.7 Å²	68.7	68%	0.68	38%	0.383	S	S	*	.			trans	-92	0	177.9	-88.9	-96.8	0	0	0	114.4	L240 K249 F386 M387	L240-F390 HydrophobicContact CD1-CE2 3.82Å; L240-F390 HydrophobicContact CD1-CZ 4.21Å; K249-F390 HydrophobicContact CB-CE1 4.4Å; K249-F390 HydrophobicContact CB-CZ 4.03Å; K249-F390 HydrophobicContact CD-CE1 4.29Å; K249-F390 HydrophobicContact CD-CZ 4.17Å; K249-F390 HydrophobicContact CG-CZ 4.04Å; F386-F390 HydrophobicContact CD2-CD2 4.24Å; F386-F390 AromaticContact CD2-CE2 3.54Å; F386-F390 HydrophobicContact CD2-CE2 3.54Å; F386-F390 HydrophobicContact CD2-CZ 4.18Å; F386-F390 HydrophobicContact CE2-CE2 4.07Å; F386-F390 HydrophobicContact CE2-CZ 4.43Å; F386-F390 WeakPolarHBondContact O-CD2 3.01Å; F386-F390 WeakPolarHBondContact O-CE2 3.21Å; M387-F390 PolarHBondContact O-N 3.42Å

Retrieved 390 of 390 residues in 229.3 ms (Link to these results)

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