A0A077Z719_TRITR Loading...

E2 ubiquitin-conjugating enzyme

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-, as well as 'Lys-63'-linked polyubiquitination. May be involved in degradation of muscle-specific proteins. Mediates polyubiquitination of CYP3A4.

AlphaFold DB , UniProt , Accession A0A077Z719, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 170 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	38	Very low	78.5	Confident	242 Å²	242	83.9 Å²	83.9	100%	1.192	48%	0.478	S	S	*	.				0	112.8	0	-74.8	177.6	-101.7	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 3.13Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2	S	48.9	Very low	79.8	Confident	128 Å²	128	87.6 Å²	87.6	90%	0.895	48%	0.479	S	S	*	.			trans	-64.2	113.8	175.5	-165.9	0	0	0	0	107.4	C4	S2-C4 PolarHBondContact O-N 3.25Å
3	S	59.2	Low	80.8	Confident	102 Å²	102	93.2 Å²	93.2	71%	0.713	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-60.3	123.1	176.7	54.2	0	0	0	0	107.9	M1 P5	M1-S3 PolarHBondContact O-N 3.13Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-P5 WeakPolarHBondContact O-CD 3.5Å
4	C	68.8	Low	81.7	Confident	57 Å²	57	88.4 Å²	88.4	39%	0.385	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-54.9	125.5	172.1	-168.7	0	0	0	0	107.9	S2 Q6 L9	S2-C4 PolarHBondContact O-N 3.25Å; C4-Q6 PolarHBondContact O-N 3.34Å; C4-L9 HydrophobicContact CB-CD1 4.34Å; C4-L9 HydrophobicContact CB-CD2 4.29Å; C4-L9 HydrophobicContact CB-CG 4.06Å
5	P	85.2	Confident	82.3	Confident	64 Å²	64	83.9 Å²	83.9	42%	0.416	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-52.2	140	177.9	-26.1	33.6	0	0	0	110.4	S3 S7 A8 L9	S3-P5 WeakPolarHBondContact O-CD 3.5Å; P5-S7 WeakPolarHBondContact CB-OG 3.27Å; P5-S7 PolarHBondContact O-N 3.42Å; P5-S7 VanDerWaalsContact O-N 3.13Å; P5-A8 HydrophobicContact CB-CB 4.44Å; P5-A8 WeakPolarHBondContact O-CB 3.41Å; P5-A8 PolarHBondContact O-N 2.92Å; P5-L9 PolarHBondContact O-N 3.22Å; P5-L9 VanDerWaalsContact O-N 3.14Å
6	Q	90.8	Very high	82.7	Confident	166 Å²	166	81.2 Å²	81.2	78%	0.776	44%	0.438	S	S	*	.	H	α-helix	trans	-56.2	-33	-178.9	-174.8	176.2	-26.2	0	0	112.1	C4 L9 L10	C4-Q6 PolarHBondContact O-N 3.34Å; Q6-L9 PolarHBondContact O-N 3.08Å; Q6-L10 PolarHBondContact O-N 2.87Å
7	S	93.5	Very high	82.8	Confident	7 Å²	7	78.6 Å²	78.6	5%	0.049	44%	0.435	C	S	.	.	H	α-helix	trans	-58.3	-52.7	172.2	47.8	0	0	0	0	112.2	P5 L9 L10 L11 Y37 Q64 Y66	P5-S7 WeakPolarHBondContact CB-OG 3.27Å; P5-S7 PolarHBondContact O-N 3.42Å; P5-S7 VanDerWaalsContact O-N 3.13Å; S7-L9 VanDerWaalsContact C-N 3.33Å; S7-L9 PolarHBondContact O-N 2.87Å; S7-L10 PolarHBondContact O-N 3.43Å; S7-L11 WeakPolarHBondContact O-CG 3.3Å; S7-L11 PolarHBondContact O-N 2.93Å; S7-Y37 PolarHBondContact OG-OH 3.21Å; S7-Q64 VanDerWaalsContact CB-O 3.26Å; S7-Q64 WeakPolarHBondContact CB-O 3.22Å; S7-Q64 PolarHBondContact OG-O 2.82Å; S7-Y66 WeakPolarHBondContact CA-O 3.45Å; S7-Y66 WeakPolarHBondContact CB-O 3.47Å
8	A	94.5	Very high	82.7	Confident	5 Å²	5	75.7 Å²	75.7	4%	0.041	42%	0.421	C	S	.	.	H	α-helix	trans	-59.8	-39.9	177	0	0	0	0	0	112.9	P5 L11 R12 V36 Y37	P5-A8 HydrophobicContact CB-CB 4.44Å; P5-A8 WeakPolarHBondContact O-CB 3.41Å; P5-A8 PolarHBondContact O-N 2.92Å; A8-L11 PolarHBondContact O-N 3.07Å; A8-R12 WeakPolarHBondContact O-CG 3.26Å; A8-R12 PolarHBondContact O-N 2.97Å; A8-V36 HydrophobicContact CB-CG1 3.82Å; A8-Y37 HydrophobicContact CB-CE2 4.33Å
9	L	94.2	Very high	82	Confident	101 Å²	101	79.1 Å²	79.1	53%	0.529	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.5	-74.4	167.1	0	0	0	112	C4 P5 Q6 S7 K13	C4-L9 HydrophobicContact CB-CD1 4.34Å; C4-L9 HydrophobicContact CB-CD2 4.29Å; C4-L9 HydrophobicContact CB-CG 4.06Å; P5-L9 PolarHBondContact O-N 3.22Å; P5-L9 VanDerWaalsContact O-N 3.14Å; Q6-L9 PolarHBondContact O-N 3.08Å; S7-L9 VanDerWaalsContact C-N 3.33Å; S7-L9 PolarHBondContact O-N 2.87Å; L9-K13 PolarHBondContact O-N 2.84Å; L9-K13 VanDerWaalsContact O-N 3.1Å
10	L	95	Very high	81	Confident	51 Å²	51	84 Å²	84	27%	0.267	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-43.5	177	-179.1	60.8	0	0	0	111.7	Q6 S7 K13 Q14 Y66 P67	Q6-L10 PolarHBondContact O-N 2.87Å; S7-L10 PolarHBondContact O-N 3.43Å; L10-K13 WeakPolarHBondContact O-CB 3.46Å; L10-K13 PolarHBondContact O-N 2.92Å; L10-Q14 HydrophobicContact CD1-CG 4.45Å; L10-Q14 PolarHBondContact O-N 3.38Å; L10-Y66 HydrophobicContact CD2-CD1 4.06Å; L10-Y66 HydrophobicContact CD2-CE1 3.55Å; L10-Y66 HydrophobicContact CG-CE1 3.95Å; L10-P67 HydrophobicContact CD2-CB 3.89Å; L10-P67 HydrophobicContact CD2-CG 3.57Å
11	L	95.7	Very high	80.1	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-63	-44.7	178	-68.2	170.6	0	0	0	111.6	S7 A8 K13 Q14 L15 V36 Y37 W39 F62 Y66	S7-L11 WeakPolarHBondContact O-CG 3.3Å; S7-L11 PolarHBondContact O-N 2.93Å; A8-L11 PolarHBondContact O-N 3.07Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.44Å; L11-Q14 PolarHBondContact O-N 3.43Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 PolarHBondContact O-N 2.9Å; L11-V36 HydrophobicContact CB-CG2 3.74Å; L11-V36 HydrophobicContact CD1-CG1 4.37Å; L11-Y37 HydrophobicContact CD1-CD1 3.59Å; L11-Y37 HydrophobicContact CD1-CE1 3.83Å; L11-Y37 HydrophobicContact CD1-CG 4.23Å; L11-W39 HydrophobicContact CB-CZ2 4.43Å; L11-W39 HydrophobicContact CD2-CZ2 4.43Å; L11-W39 WeakPolarHBondContact O-CZ2 3.14Å; L11-F62 HydrophobicContact CD1-CB 4.01Å; L11-F62 HydrophobicContact CD1-CD1 4.47Å; L11-F62 HydrophobicContact CD1-CG 4.08Å; L11-F62 HydrophobicContact CD2-CB 4.45Å; L11-F62 HydrophobicContact CD2-CD1 3.4Å; L11-F62 VanDerWaalsContact CD2-CD1 3.4Å; L11-F62 HydrophobicContact CD2-CD2 4.13Å; L11-F62 HydrophobicContact CD2-CE1 3.54Å; L11-F62 HydrophobicContact CD2-CE2 4.26Å; L11-F62 HydrophobicContact CD2-CG 3.73Å; L11-F62 HydrophobicContact CD2-CZ 3.99Å; L11-Y66 HydrophobicContact CD1-CD1 4.47Å; L11-Y66 HydrophobicContact CD2-CD1 3.66Å; L11-Y66 HydrophobicContact CD2-CE1 3.6Å; L11-Y66 HydrophobicContact CD2-CG 4.32Å; L11-Y66 HydrophobicContact CG-CD1 3.89Å; L11-Y66 HydrophobicContact CG-CE1 4.16Å
12	R	94	Very high	81.4	Confident	128 Å²	128	78.1 Å²	78.1	48%	0.483	43%	0.431	S	S	.	.	H	α-helix	trans	-58.9	-39.5	174.4	-70.4	-176.3	-174.7	-83.6	-3.3	111.9	A8 A16 V36	A8-R12 WeakPolarHBondContact O-CG 3.26Å; A8-R12 PolarHBondContact O-N 2.97Å; R12-A16 PolarHBondContact O-N 2.96Å; R12-V36 HydrophobicContact CG-CG2 3.75Å
13	K	93.2	Very high	82.4	Confident	160 Å²	160	73.4 Å²	73.4	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-65	-45.3	176.7	-175.7	-177.7	176.3	-174.9	0	111.7	L9 L10 L11 G17	L9-K13 PolarHBondContact O-N 2.84Å; L9-K13 VanDerWaalsContact O-N 3.1Å; L10-K13 WeakPolarHBondContact O-CB 3.46Å; L10-K13 PolarHBondContact O-N 2.92Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.44Å; K13-G17 PolarHBondContact O-N 3.22Å; K13-G17 VanDerWaalsContact O-N 3.15Å
14	Q	92.6	Very high	83.4	Confident	27 Å²	27	76 Å²	76	13%	0.126	40%	0.402	C	S	.	.	H	α-helix	trans	-66.4	-39.9	177.8	-70.3	-170.4	34.4	0	0	111.8	L10 L11 A16 G17 C18 W39 Y66 T117	L10-Q14 HydrophobicContact CD1-CG 4.45Å; L10-Q14 PolarHBondContact O-N 3.38Å; L11-Q14 PolarHBondContact O-N 3.43Å; Q14-A16 VanDerWaalsContact C-N 3.35Å; Q14-A16 PolarHBondContact O-N 3Å; Q14-G17 WeakPolarHBondContact O-CA 3.03Å; Q14-G17 PolarHBondContact O-N 3.14Å; Q14-C18 PolarHBondContact O-N 2.98Å; Q14-W39 HydrophobicContact CB-CH2 4.32Å; Q14-Y66 PolarHBondContact NE2-OH 3.21Å; Q14-Y66 PolarHBondContact OE1-OH 3.4Å; Q14-T117 VanDerWaalsContact OE1-CA 3.3Å
15	L	91.4	Very high	84.2	Confident	20 Å²	20	74.4 Å²	74.4	11%	0.105	40%	0.395	C	S	.	.	H	α-helix	trans	-59.9	-46.5	177.5	-175.6	65.9	0	0	0	111.1	L11 G17 C18 F19 L30 W39	L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 PolarHBondContact O-N 2.9Å; L15-G17 VanDerWaalsContact C-N 3.27Å; L15-G17 PolarHBondContact O-N 3.01Å; L15-C18 PolarHBondContact O-N 3.13Å; L15-F19 HydrophobicContact CD1-CE2 3.93Å; L15-F19 HydrophobicContact CD1-CZ 4.5Å; L15-F19 HydrophobicContact CD2-CE2 4.37Å; L15-F19 HydrophobicContact CG-CD2 4.35Å; L15-F19 HydrophobicContact CG-CE2 3.78Å; L15-F19 WeakPolarHBondContact O-CD2 3.44Å; L15-F19 PolarHBondContact O-N 2.83Å; L15-L30 HydrophobicContact CD2-CD1 3.83Å; L15-L30 HydrophobicContact CD2-CD2 3.89Å; L15-L30 HydrophobicContact CD2-CG 3.67Å; L15-W39 HydrophobicContact CB-CH2 3.51Å; L15-W39 HydrophobicContact CB-CZ2 3.59Å; L15-W39 HydrophobicContact CB-CZ3 4.34Å; L15-W39 HydrophobicContact CD1-CD2 4.24Å; L15-W39 HydrophobicContact CD1-CE3 3.97Å; L15-W39 HydrophobicContact CD1-CH2 3.7Å; L15-W39 HydrophobicContact CD1-CZ2 3.95Å; L15-W39 HydrophobicContact CD1-CZ3 3.68Å; L15-W39 HydrophobicContact CG-CH2 4.2Å; L15-W39 HydrophobicContact CG-CZ2 4.27Å
16	A	88.7	Confident	84.4	Confident	41 Å²	41	72.1 Å²	72.1	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-57.8	-41.9	174.1	0	0	0	0	0	111.4	R12 Q14 C18 F19 F20	R12-A16 PolarHBondContact O-N 2.96Å; Q14-A16 VanDerWaalsContact C-N 3.35Å; Q14-A16 PolarHBondContact O-N 3Å; A16-C18 VanDerWaalsContact C-N 3.34Å; A16-C18 PolarHBondContact O-N 3.43Å; A16-F19 PolarHBondContact O-N 2.96Å; A16-F19 VanDerWaalsContact O-N 3.15Å; A16-F20 HydrophobicContact CB-CE2 4.5Å; A16-F20 WeakPolarHBondContact O-CD2 3.4Å; A16-F20 PolarHBondContact O-N 2.82Å
17	G	84.3	Confident	84.4	Confident	38 Å²	38	67.4 Å²	67.4	39%	0.392	36%	0.364	S	S	.	.	H	α-helix	trans	-56.2	-44.4	175.8	0	0	0	0	0	113.5	K13 Q14 L15 F19 F20 V21	K13-G17 PolarHBondContact O-N 3.22Å; K13-G17 VanDerWaalsContact O-N 3.15Å; Q14-G17 WeakPolarHBondContact O-CA 3.03Å; Q14-G17 PolarHBondContact O-N 3.14Å; L15-G17 VanDerWaalsContact C-N 3.27Å; L15-G17 PolarHBondContact O-N 3.01Å; G17-F19 PolarHBondContact O-N 2.75Å; G17-F20 PolarHBondContact O-N 3.09Å; G17-V21 PolarHBondContact O-N 3.2Å; G17-V21 VanDerWaalsContact O-N 3.09Å
18	C	80.2	Confident	84.4	Confident	25 Å²	25	67.8 Å²	67.8	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-28.4	177.8	-65.1	0	0	0	0	113.5	Q14 L15 A16	Q14-C18 PolarHBondContact O-N 2.98Å; L15-C18 PolarHBondContact O-N 3.13Å; A16-C18 VanDerWaalsContact C-N 3.34Å; A16-C18 PolarHBondContact O-N 3.43Å
19	F	69.7	Low	84.3	Confident	141 Å²	141	68.5 Å²	68.5	62%	0.618	38%	0.375	S	S	*	.	H	α-helix	trans	-79.6	-33.1	176.2	-72	-65.6	0	0	0	113.4	L15 A16 G17	L15-F19 HydrophobicContact CD1-CE2 3.93Å; L15-F19 HydrophobicContact CD1-CZ 4.5Å; L15-F19 HydrophobicContact CD2-CE2 4.37Å; L15-F19 HydrophobicContact CG-CD2 4.35Å; L15-F19 HydrophobicContact CG-CE2 3.78Å; L15-F19 WeakPolarHBondContact O-CD2 3.44Å; L15-F19 PolarHBondContact O-N 2.83Å; A16-F19 PolarHBondContact O-N 2.96Å; A16-F19 VanDerWaalsContact O-N 3.15Å; G17-F19 PolarHBondContact O-N 2.75Å
20	F	61.9	Low	84.4	Confident	177 Å²	177	65.2 Å²	65.2	78%	0.776	36%	0.358	S	S	*	.	H	α-helix	trans	-82.1	-30.9	-177.1	-77.1	-68.6	0	0	0	113.2	A16 G17	A16-F20 HydrophobicContact CB-CE2 4.5Å; A16-F20 WeakPolarHBondContact O-CD2 3.4Å; A16-F20 PolarHBondContact O-N 2.82Å; G17-F20 PolarHBondContact O-N 3.09Å
21	V	62.5	Low	84.4	Confident	102 Å²	102	66 Å²	66	62%	0.618	37%	0.365	S	S	*	.	S	Bend	trans	-127.6	83.2	177.7	-171.2	0	0	0	0	107.3	G17 V23	G17-V21 PolarHBondContact O-N 3.2Å; G17-V21 VanDerWaalsContact O-N 3.09Å; V21-V23 PolarHBondContact O-N 3.28Å
22	P	64.7	Low	84.3	Confident	100 Å²	100	69.9 Å²	69.9	65%	0.649	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-61.1	122.7	174.4	21.2	-26.6	0	0	0	108.2
23	V	69.6	Low	84.1	Confident	29 Å²	29	70.1 Å²	70.1	18%	0.176	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-88.3	130.1	177.4	-177.8	0	0	0	0	107.7	V21 G25 F26 E119 L123	V21-V23 PolarHBondContact O-N 3.28Å; V23-G25 PolarHBondContact O-N 3.15Å; V23-F26 HydrophobicContact CB-CD1 4.24Å; V23-F26 HydrophobicContact CB-CE1 3.5Å; V23-F26 HydrophobicContact CB-CE2 4.07Å; V23-F26 HydrophobicContact CB-CZ 3.41Å; V23-F26 VanDerWaalsContact CB-CZ 3.41Å; V23-F26 HydrophobicContact CG1-CD1 4.2Å; V23-F26 HydrophobicContact CG1-CE1 3.43Å; V23-F26 VanDerWaalsContact CG1-CE1 3.43Å; V23-F26 HydrophobicContact CG1-CZ 3.83Å; V23-F26 HydrophobicContact CG2-CE1 4.19Å; V23-F26 HydrophobicContact CG2-CE2 4.37Å; V23-F26 HydrophobicContact CG2-CZ 3.68Å; V23-F26 PolarHBondContact O-N 3.29Å; V23-E119 HydrophobicContact CG2-CG 4.14Å; V23-L123 HydrophobicContact CG1-CD2 4.22Å
24	D	80.7	Confident	84.1	Confident	157 Å²	157	70.8 Å²	70.8	84%	0.84	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	131.7	178.1	-73.7	-27.2	0	0	0	110.4
25	G	85.9	Confident	84.2	Confident	23 Å²	23	72.5 Å²	72.5	24%	0.237	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	-7.2	176.4	0	0	0	0	0	115.3	V23 I44	V23-G25 PolarHBondContact O-N 3.15Å; G25-I44 PolarHBondContact O-N 2.95Å
26	F	90.3	Very high	84.4	Confident	17 Å²	17	71.9 Å²	71.9	8%	0.075	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.5	169.5	65.5	-98.1	0	0	0	114.7	V23 V41 L42 E119 L122 I126	V23-F26 HydrophobicContact CB-CD1 4.24Å; V23-F26 HydrophobicContact CB-CE1 3.5Å; V23-F26 HydrophobicContact CB-CE2 4.07Å; V23-F26 HydrophobicContact CB-CZ 3.41Å; V23-F26 VanDerWaalsContact CB-CZ 3.41Å; V23-F26 HydrophobicContact CG1-CD1 4.2Å; V23-F26 HydrophobicContact CG1-CE1 3.43Å; V23-F26 VanDerWaalsContact CG1-CE1 3.43Å; V23-F26 HydrophobicContact CG1-CZ 3.83Å; V23-F26 HydrophobicContact CG2-CE1 4.19Å; V23-F26 HydrophobicContact CG2-CE2 4.37Å; V23-F26 HydrophobicContact CG2-CZ 3.68Å; V23-F26 PolarHBondContact O-N 3.29Å; F26-V41 HydrophobicContact CB-CG1 4.36Å; F26-L42 CarbonylContact C-O 3.49Å; F26-L42 WeakPolarHBondContact CA-O 3.39Å; F26-L42 WeakPolarHBondContact CB-O 3.39Å; F26-E119 HydrophobicContact CZ-CB 4.45Å; F26-E119 HydrophobicContact CZ-CG 4.3Å; F26-L122 HydrophobicContact CB-CD1 4.33Å; F26-L122 HydrophobicContact CD1-CB 3.71Å; F26-L122 HydrophobicContact CD1-CD1 4.14Å; F26-L122 HydrophobicContact CD2-CB 4.42Å; F26-L122 HydrophobicContact CD2-CD1 3.31Å; F26-L122 HydrophobicContact CD2-CG 4.48Å; F26-L122 HydrophobicContact CE1-CB 3.65Å; F26-L122 HydrophobicContact CE1-CD1 4.23Å; F26-L122 HydrophobicContact CE2-CB 4.4Å; F26-L122 HydrophobicContact CE2-CD1 3.44Å; F26-L122 VanDerWaalsContact CE2-CD1 3.44Å; F26-L122 HydrophobicContact CG-CB 4.08Å; F26-L122 HydrophobicContact CG-CD1 3.68Å; F26-L122 HydrophobicContact CG-CG 4.48Å; F26-L122 HydrophobicContact CZ-CB 4.01Å; F26-L122 HydrophobicContact CZ-CD1 3.89Å; F26-I126 HydrophobicContact CD1-CD1 3.89Å
27	S	90.9	Very high	84.8	Confident	67 Å²	67	71.1 Å²	71.1	47%	0.469	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.1	163.1	65.8	0	0	0	0	109.5	V41 L42	S27-V41 CarbonylContact O-C 3.59Å; S27-V41 VanDerWaalsContact O-CA 3.24Å; S27-V41 WeakPolarHBondContact O-CA 3.49Å; S27-V41 VanDerWaalsContact O-CG1 3.23Å; S27-V41 WeakPolarHBondContact O-CG1 3.27Å; S27-L42 PolarHBondContact N-O 2.79Å; S27-L42 PolarHBondContact O-N 3.17Å; S27-L42 WeakPolarHBondContact OG-CB 3.27Å
28	A	92.2	Very high	85.5	Confident	14 Å²	14	73.6 Å²	73.6	12%	0.116	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.2	-177.5	0	0	0	0	0	110.6	W39 E40 V41	A28-W39 HydrophobicContact CB-CE3 4.01Å; A28-W39 HydrophobicContact CB-CZ3 4.19Å; A28-E40 WeakPolarHBondContact CA-O 3.35Å; A28-V41 HydrophobicContact CB-CG2 4.1Å
29	G	93	Very high	86.3	Confident	20 Å²	20	72.4 Å²	72.4	21%	0.206	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	179.4	179.1	0	0	0	0	0	111.2	W39 E40	G29-W39 CarbonylContact O-C 3.48Å; G29-W39 WeakPolarHBondContact O-CA 3.25Å; G29-W39 VanDerWaalsContact O-CB 3.28Å; G29-W39 WeakPolarHBondContact O-CB 3.28Å; G29-E40 PolarHBondContact N-O 2.82Å; G29-E40 PolarHBondContact O-N 2.88Å
30	L	95.3	Very high	87.6	Confident	32 Å²	32	69 Å²	69	17%	0.168	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.6	174.9	-60.4	-179	0	0	0	110.1	L15 N32 V36 W39	L15-L30 HydrophobicContact CD2-CD1 3.83Å; L15-L30 HydrophobicContact CD2-CD2 3.89Å; L15-L30 HydrophobicContact CD2-CG 3.67Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-V36 HydrophobicContact CD2-CG2 4.43Å; L30-W39 VanDerWaalsContact CD2-CD1 3.47Å; L30-W39 HydrophobicContact CD2-CD2 4.33Å; L30-W39 HydrophobicContact CD2-CG 4.05Å
31	V	95.3	Very high	89.1	Confident	68 Å²	68	60.6 Å²	60.6	41%	0.412	34%	0.337	S	S	.	.	S	Bend	trans	-66.9	-36.8	167.8	172.6	0	0	0	0	110.2	R38 E40	V31-R38 HydrophobicContact CB-CG 4.11Å; V31-R38 HydrophobicContact CG2-CG 3.82Å; V31-R38 PolarHBondContact N-O 3.31Å; V31-E40 HydrophobicContact CG2-CB 3.96Å
32	N	93.1	Very high	90.7	Very high	81 Å²	81	58.3 Å²	58.3	43%	0.433	32%	0.321	S	S	.	.	S	Bend	trans	-142.4	129.9	175.3	178.2	-11.8	0	0	0	108.4	L30 E34 D35	L30-N32 VanDerWaalsContact C-N 3.27Å; N32-E34 PolarHBondContact O-N 3.28Å; N32-E34 VanDerWaalsContact O-N 3.07Å; N32-E34 WeakPolarHBondContact OD1-CB 3.33Å; N32-E34 PolarHBondContact OD1-N 2.78Å; N32-D35 CarbonylContact O-C 3.58Å; N32-D35 PolarHBondContact O-N 3.2Å
33	D	91.5	Very high	92.1	Very high	134 Å²	134	53.6 Å²	53.6	72%	0.717	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.3	-179.4	-69.5	-20.2	0	0	0	114.1
34	E	92.6	Very high	93.3	Very high	173 Å²	173	55.5 Å²	55.5	81%	0.808	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-20.2	175.2	-60.7	-175.5	170.2	0	0	113.3	N32	N32-E34 PolarHBondContact O-N 3.28Å; N32-E34 VanDerWaalsContact O-N 3.07Å; N32-E34 WeakPolarHBondContact OD1-CB 3.33Å; N32-E34 PolarHBondContact OD1-N 2.78Å
35	D	95.1	Very high	94.1	Very high	64 Å²	64	48.3 Å²	48.3	34%	0.342	26%	0.261	S	S	.	.			trans	-117.5	94.5	-177	-174.5	8.4	0	0	0	112.1	N32 Y37 R38	N32-D35 CarbonylContact O-C 3.58Å; N32-D35 PolarHBondContact O-N 3.2Å; D35-Y37 PolarHBondContact O-N 3.25Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.38Å; D35-Y37 PolarHBondContact OD1-N 2.74Å; D35-R38 PolarHBondContact O-N 2.78Å
36	V	95.8	Very high	94.5	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.5	177.5	76.6	0	0	0	0	113.5	A8 L11 R12 L30 W39	A8-V36 HydrophobicContact CB-CG1 3.82Å; L11-V36 HydrophobicContact CB-CG2 3.74Å; L11-V36 HydrophobicContact CD1-CG1 4.37Å; R12-V36 HydrophobicContact CG-CG2 3.75Å; L30-V36 HydrophobicContact CD2-CG2 4.43Å; V36-W39 PolarHBondContact O-NE1 2.86Å
37	Y	97.3	Very high	94.7	Very high	26 Å²	26	51.5 Å²	51.5	10%	0.102	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.3	-178.2	-63.6	-87.7	0	0	0	113.2	S7 A8 L11 D35 F62 Q64	S7-Y37 PolarHBondContact OG-OH 3.21Å; A8-Y37 HydrophobicContact CB-CE2 4.33Å; L11-Y37 HydrophobicContact CD1-CD1 3.59Å; L11-Y37 HydrophobicContact CD1-CE1 3.83Å; L11-Y37 HydrophobicContact CD1-CG 4.23Å; D35-Y37 PolarHBondContact O-N 3.25Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.38Å; D35-Y37 PolarHBondContact OD1-N 2.74Å; Y37-F62 HydrophobicContact CD1-CB 4.05Å; Y37-F62 WeakPolarHBondContact O-CD2 3.49Å; Y37-F62 PolarHBondContact O-N 3.43Å; Y37-Q64 VanDerWaalsContact CZ-OE1 3.29Å; Y37-Q64 PolarHBondContact OH-OE1 2.88Å
38	R	97.8	Very high	94.9	Very high	90 Å²	90	56 Å²	56	34%	0.34	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.1	179.3	-171.2	164.2	-178.1	174.9	-2.3	112.2	V31 D35 H59 D61	V31-R38 HydrophobicContact CB-CG 4.11Å; V31-R38 HydrophobicContact CG2-CG 3.82Å; V31-R38 PolarHBondContact N-O 3.31Å; D35-R38 PolarHBondContact O-N 2.78Å; R38-H59 PolarHBondContact NH2-ND1 3.36Å; R38-D61 VanDerWaalsContact CD-OD1 3.27Å; R38-D61 WeakPolarHBondContact CD-OD1 3.41Å; R38-D61 WeakPolarHBondContact CG-OD1 3.46Å; R38-D61 IonicContact CZ-OD1 3.94Å; R38-D61 IonicContact NE-OD1 3.34Å; R38-D61 PolarHBondContact NE-OD1 2.98Å
39	W	97.4	Very high	95.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.1	-175	-67.4	36.3	0	0	0	110.7	L11 Q14 L15 A28 G29 L30 V36 H59 L60 F62 V118	L11-W39 HydrophobicContact CB-CZ2 4.43Å; L11-W39 HydrophobicContact CD2-CZ2 4.43Å; L11-W39 WeakPolarHBondContact O-CZ2 3.14Å; Q14-W39 HydrophobicContact CB-CH2 4.32Å; L15-W39 HydrophobicContact CB-CH2 3.51Å; L15-W39 HydrophobicContact CB-CZ2 3.59Å; L15-W39 HydrophobicContact CB-CZ3 4.34Å; L15-W39 HydrophobicContact CD1-CD2 4.24Å; L15-W39 HydrophobicContact CD1-CE3 3.97Å; L15-W39 HydrophobicContact CD1-CH2 3.7Å; L15-W39 HydrophobicContact CD1-CZ2 3.95Å; L15-W39 HydrophobicContact CD1-CZ3 3.68Å; L15-W39 HydrophobicContact CG-CH2 4.2Å; L15-W39 HydrophobicContact CG-CZ2 4.27Å; A28-W39 HydrophobicContact CB-CE3 4.01Å; A28-W39 HydrophobicContact CB-CZ3 4.19Å; G29-W39 CarbonylContact O-C 3.48Å; G29-W39 WeakPolarHBondContact O-CA 3.25Å; G29-W39 VanDerWaalsContact O-CB 3.28Å; G29-W39 WeakPolarHBondContact O-CB 3.28Å; L30-W39 VanDerWaalsContact CD2-CD1 3.47Å; L30-W39 HydrophobicContact CD2-CD2 4.33Å; L30-W39 HydrophobicContact CD2-CG 4.05Å; V36-W39 PolarHBondContact O-NE1 2.86Å; W39-H59 VanDerWaalsContact O-CA 3.25Å; W39-H59 WeakPolarHBondContact O-CA 3.38Å; W39-L60 HydrophobicContact CB-CB 4.19Å; W39-L60 PolarHBondContact N-O 2.94Å; W39-L60 PolarHBondContact O-N 2.77Å; W39-F62 HydrophobicContact CB-CE2 4.13Å; W39-F62 AromaticContact CD1-CD2 3.87Å; W39-F62 AromaticContact CD1-CE2 3.45Å; W39-F62 VanDerWaalsContact CD1-CE2 3.45Å; W39-F62 AromaticContact CD2-CE2 3.93Å; W39-F62 HydrophobicContact CD2-CE2 3.93Å; W39-F62 HydrophobicContact CD2-CZ 4.34Å; W39-F62 AromaticContact CE2-CE2 3.96Å; W39-F62 HydrophobicContact CG-CD2 4.42Å; W39-F62 AromaticContact CG-CE2 3.6Å; W39-F62 HydrophobicContact CG-CE2 3.6Å; W39-F62 HydrophobicContact CG-CZ 4.43Å; W39-F62 AromaticContact NE1-CE2 3.69Å; W39-V118 HydrophobicContact CE3-CG1 4.16Å; W39-V118 HydrophobicContact CE3-CG2 4.42Å; W39-V118 HydrophobicContact CH2-CG2 3.93Å; W39-V118 HydrophobicContact CZ2-CG2 4.47Å; W39-V118 HydrophobicContact CZ3-CB 4.19Å; W39-V118 HydrophobicContact CZ3-CG1 3.88Å; W39-V118 HydrophobicContact CZ3-CG2 3.93Å
40	E	96.4	Very high	95.2	Very high	68 Å²	68	56.2 Å²	56.2	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.6	164.1	-169.4	171.1	98.4	0	0	108.5	A28 G29 V31 K57 H59	A28-E40 WeakPolarHBondContact CA-O 3.35Å; G29-E40 PolarHBondContact N-O 2.82Å; G29-E40 PolarHBondContact O-N 2.88Å; V31-E40 HydrophobicContact CG2-CB 3.96Å; E40-K57 HydrophobicContact CG-CD 4.16Å; E40-K57 HydrophobicContact CG-CG 3.91Å; E40-K57 VanDerWaalsContact OE1-CE 3.27Å; E40-K57 WeakPolarHBondContact OE1-CE 3.29Å; E40-K57 IonicContact OE1-NZ 2.75Å; E40-K57 PolarHBondContact OE1-NZ 3.1Å; E40-K57 VanDerWaalsContact OE2-CD 3.27Å; E40-K57 WeakPolarHBondContact OE2-CD 3.33Å; E40-K57 WeakPolarHBondContact OE2-CE 3.33Å; E40-K57 IonicContact OE2-NZ 2.96Å; E40-K57 PolarHBondContact OE2-NZ 2.84Å; E40-H59 IonicContact OE2-NE2 3.87Å
41	V	95	Very high	95.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.3	177.9	-174.7	0	0	0	0	108.7	F26 S27 A28 V43 K57 A58 L60 L122	F26-V41 HydrophobicContact CB-CG1 4.36Å; S27-V41 CarbonylContact O-C 3.59Å; S27-V41 VanDerWaalsContact O-CA 3.24Å; S27-V41 WeakPolarHBondContact O-CA 3.49Å; S27-V41 VanDerWaalsContact O-CG1 3.23Å; S27-V41 WeakPolarHBondContact O-CG1 3.27Å; A28-V41 HydrophobicContact CB-CG2 4.1Å; V41-V43 HydrophobicContact CG1-CG2 4.08Å; V41-K57 CarbonylContact O-C 3.53Å; V41-K57 WeakPolarHBondContact O-CA 3.42Å; V41-A58 PolarHBondContact N-O 3.02Å; V41-A58 PolarHBondContact O-N 3.45Å; V41-L60 HydrophobicContact CG2-CD1 3.83Å; V41-L60 HydrophobicContact CG2-CG 4.35Å; V41-L122 HydrophobicContact CB-CD2 4.49Å; V41-L122 HydrophobicContact CG1-CD1 3.65Å; V41-L122 HydrophobicContact CG1-CD2 3.72Å; V41-L122 HydrophobicContact CG1-CG 4.35Å; V41-L122 HydrophobicContact CG2-CD1 4.35Å; V41-L122 HydrophobicContact CG2-CD2 4.4Å
42	L	94.9	Very high	95.4	Very high	55 Å²	55	56.6 Å²	56.6	29%	0.288	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.7	166.7	-171.4	67.8	0	0	0	108.7	F26 S27 F55 K57	F26-L42 CarbonylContact C-O 3.49Å; F26-L42 WeakPolarHBondContact CA-O 3.39Å; F26-L42 WeakPolarHBondContact CB-O 3.39Å; S27-L42 PolarHBondContact N-O 2.79Å; S27-L42 PolarHBondContact O-N 3.17Å; S27-L42 WeakPolarHBondContact OG-CB 3.27Å; L42-F55 HydrophobicContact CD1-CB 4.12Å; L42-F55 HydrophobicContact CD2-CD1 4.21Å; L42-K57 HydrophobicContact CD1-CB 4.43Å
43	V	95.2	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.7	175	-178.8	0	0	0	0	108.8	V41 F56 M73 F75 I126 L129	V41-V43 HydrophobicContact CG1-CG2 4.08Å; V43-F56 PolarHBondContact N-O 3.21Å; V43-F56 PolarHBondContact O-N 3.33Å; V43-M73 HydrophobicContact CG2-CE 4.22Å; V43-F75 HydrophobicContact CB-CE1 4.4Å; V43-F75 HydrophobicContact CG2-CE1 4.35Å; V43-I126 HydrophobicContact CG1-CG1 4.08Å; V43-L129 HydrophobicContact CG1-CD1 4.01Å
44	I	94.9	Very high	95.7	Very high	69 Å²	69	47.7 Å²	47.7	35%	0.354	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.8	174.9	-54.9	174.9	0	0	0	108	G25 G54 F55	G25-I44 PolarHBondContact O-N 2.95Å; I44-G54 WeakPolarHBondContact CA-O 3.47Å; I44-F55 HydrophobicContact CG1-CD1 4.37Å; I44-F55 HydrophobicContact CG1-CE1 4.41Å
45	G	95.8	Very high	95.9	Very high	6 Å²	6	43 Å²	43	6%	0.062	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.7	123.9	176.5	0	0	0	0	0	112	Y51 G54	G45-Y51 VanDerWaalsContact CA-O 3.29Å; G45-Y51 WeakPolarHBondContact CA-O 3.3Å; G45-G54 PolarHBondContact N-O 2.93Å
46	P	95.4	Very high	96	Very high	14 Å²	14	40 Å²	40	9%	0.091	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-65.2	148.3	-174.7	-15.4	27	0	0	0	111.9	T49 E52 I126 L129	P46-T49 HydrophobicContact CB-CG2 3.88Å; P46-T49 HydrophobicContact CG-CG2 4.37Å; P46-T49 PolarHBondContact O-OG1 3.05Å; P46-E52 WeakPolarHBondContact O-CA 3.32Å; P46-E52 WeakPolarHBondContact O-CB 3.46Å; P46-I126 HydrophobicContact CB-CG2 4.4Å; P46-I126 HydrophobicContact CG-CG2 3.95Å; P46-L129 HydrophobicContact CG-CB 4.07Å; P46-L129 HydrophobicContact CG-CD1 4.42Å
47	P	94.1	Very high	96	Very high	94 Å²	94	43.3 Å²	43.3	61%	0.61	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	154.1	176.7	29.4	-35.6	0	0	0	111.4	T49	P47-T49 PolarHBondContact O-N 2.98Å; P47-T49 VanDerWaalsContact O-N 3.16Å
48	D	94.6	Very high	96.1	Very high	160 Å²	160	42 Å²	42	86%	0.856	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	19.7	179.6	-58.3	-55.4	0	0	0	114	E52	D48-E52 PolarHBondContact N-OE2 2.78Å
49	T	96.2	Very high	96.1	Very high	19 Å²	19	38.7 Å²	38.7	12%	0.117	21%	0.208	C	C	.	.	S	Bend	trans	-118	161.5	174.9	77.2	0	0	0	0	111.3	P46 P47 Y51 E52 A130	P46-T49 HydrophobicContact CB-CG2 3.88Å; P46-T49 HydrophobicContact CG-CG2 4.37Å; P46-T49 PolarHBondContact O-OG1 3.05Å; P47-T49 PolarHBondContact O-N 2.98Å; P47-T49 VanDerWaalsContact O-N 3.16Å; T49-Y51 PolarHBondContact O-N 2.67Å; T49-Y51 PolarHBondContact OG1-N 3.3Å; T49-E52 WeakPolarHBondContact O-CB 3.46Å; T49-E52 PolarHBondContact O-N 3.18Å; T49-E52 VanDerWaalsContact O-N 3.16Å; T49-E52 PolarHBondContact OG1-N 2.93Å; T49-A130 HydrophobicContact CG2-CB 3.73Å
50	P	96.9	Very high	96.1	Very high	21 Å²	21	38.7 Å²	38.7	14%	0.136	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.4	170.9	-26.4	37	0	0	0	114.5	Y150 F153 K154 V157	P50-Y150 HydrophobicContact CG-CE2 4.19Å; P50-Y150 WeakPolarHBondContact CG-OH 3.11Å; P50-F153 HydrophobicContact CG-CE1 4.42Å; P50-K154 HydrophobicContact CB-CG 4.28Å; P50-K154 HydrophobicContact CG-CG 4.11Å; P50-V157 HydrophobicContact CB-CB 4.17Å; P50-V157 HydrophobicContact CB-CG1 3.91Å; P50-V157 VanDerWaalsContact O-CG1 3.23Å; P50-V157 WeakPolarHBondContact O-CG1 3.47Å
51	Y	97.8	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.8	-176.8	-57.2	-82	0	0	0	113.2	G45 T49 G53 G54 F56 L79 W80 H81 L129 F153 V157	G45-Y51 VanDerWaalsContact CA-O 3.29Å; G45-Y51 WeakPolarHBondContact CA-O 3.3Å; T49-Y51 PolarHBondContact O-N 2.67Å; T49-Y51 PolarHBondContact OG1-N 3.3Å; Y51-G53 PolarHBondContact O-N 2.8Å; Y51-G54 PolarHBondContact O-N 2.83Å; Y51-F56 HydrophobicContact CD1-CE2 4.35Å; Y51-F56 HydrophobicContact CD1-CZ 4.16Å; Y51-L79 HydrophobicContact CD1-CD1 3.71Å; Y51-L79 HydrophobicContact CE1-CD1 3.58Å; Y51-L79 HydrophobicContact CE1-CG 4.35Å; Y51-W80 PolarHBondContact OH-O 2.87Å; Y51-H81 AromaticContact CZ-CD2 3.62Å; Y51-H81 PolarHBondContact OH-CD2 3.17Å; Y51-L129 HydrophobicContact CD1-CD2 4.37Å; Y51-L129 HydrophobicContact CD2-CB 4.02Å; Y51-L129 HydrophobicContact CD2-CD2 4.39Å; Y51-L129 VanDerWaalsContact CD2-O 3.24Å; Y51-L129 WeakPolarHBondContact CD2-O 3.48Å; Y51-L129 HydrophobicContact CE1-CD2 4.34Å; Y51-L129 HydrophobicContact CE2-CB 4.38Å; Y51-L129 HydrophobicContact CE2-CD2 4.36Å; Y51-L129 WeakPolarHBondContact CE2-O 3.25Å; Y51-L129 HydrophobicContact CG-CB 4.5Å; Y51-L129 HydrophobicContact CG-CD2 4.41Å; Y51-F153 VanDerWaalsContact OH-CZ 3.26Å; Y51-F153 WeakPolarHBondContact OH-CZ 3.23Å; Y51-V157 HydrophobicContact CD1-CG1 3.33Å; Y51-V157 HydrophobicContact CE1-CB 4.3Å; Y51-V157 HydrophobicContact CE1-CG1 3.39Å; Y51-V157 HydrophobicContact CE1-CG2 3.86Å; Y51-V157 HydrophobicContact CG-CG1 3.93Å
52	E	96.2	Very high	96.3	Very high	108 Å²	108	38.6 Å²	38.6	51%	0.505	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	131.9	-174.5	-176.8	175.5	162.9	0	0	112.7	P46 D48 T49 G54	P46-E52 WeakPolarHBondContact O-CA 3.32Å; P46-E52 WeakPolarHBondContact O-CB 3.46Å; D48-E52 PolarHBondContact N-OE2 2.78Å; T49-E52 WeakPolarHBondContact O-CB 3.46Å; T49-E52 PolarHBondContact O-N 3.18Å; T49-E52 VanDerWaalsContact O-N 3.16Å; T49-E52 PolarHBondContact OG1-N 2.93Å; E52-G54 VanDerWaalsContact C-N 3.25Å; E52-G54 PolarHBondContact O-N 3.21Å
53	G	94.7	Very high	96.4	Very high	28 Å²	28	37.3 Å²	37.3	29%	0.289	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.2	-179.7	0	0	0	0	0	115.2	Y51 Q165	Y51-G53 PolarHBondContact O-N 2.8Å; G53-Q165 WeakPolarHBondContact O-CG 3.35Å; G53-Q165 PolarHBondContact O-NE2 2.79Å
54	G	96.6	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.			trans	-79.5	152.3	172.6	0	0	0	0	0	113.4	I44 G45 Y51 E52 S164	I44-G54 WeakPolarHBondContact CA-O 3.47Å; G45-G54 PolarHBondContact N-O 2.93Å; Y51-G54 PolarHBondContact O-N 2.83Å; E52-G54 VanDerWaalsContact C-N 3.25Å; E52-G54 PolarHBondContact O-N 3.21Å; G54-S164 WeakPolarHBondContact CA-OG 3.42Å
55	F	96	Very high	96.5	Very high	74 Å²	74	42.4 Å²	42.4	33%	0.325	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	93.2	179.3	-65.7	-81.2	0	0	0	110.9	L42 I44 S164 Q165 A168	L42-F55 HydrophobicContact CD1-CB 4.12Å; L42-F55 HydrophobicContact CD2-CD1 4.21Å; I44-F55 HydrophobicContact CG1-CD1 4.37Å; I44-F55 HydrophobicContact CG1-CE1 4.41Å; F55-S164 PolarHBondContact N-OG 2.94Å; F55-S164 VanDerWaalsContact O-CB 3.3Å; F55-S164 WeakPolarHBondContact O-CB 3.49Å; F55-Q165 HydrophobicContact CD2-CG 4.06Å; F55-Q165 HydrophobicContact CE2-CG 4.27Å; F55-A168 HydrophobicContact CB-CB 4.05Å; F55-A168 HydrophobicContact CD2-CB 4.24Å; F55-A168 HydrophobicContact CG-CB 4.18Å
56	F	96.9	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.3	-168.8	-53.7	-71.9	0	0	0	111.6	V43 Y51 F75 T77 L79 V161	V43-F56 PolarHBondContact N-O 3.21Å; V43-F56 PolarHBondContact O-N 3.33Å; Y51-F56 HydrophobicContact CD1-CE2 4.35Å; Y51-F56 HydrophobicContact CD1-CZ 4.16Å; F56-F75 HydrophobicContact CB-CD1 3.79Å; F56-F75 HydrophobicContact CB-CE1 3.54Å; F56-T77 HydrophobicContact CD1-CG2 3.8Å; F56-T77 HydrophobicContact CE1-CG2 4.48Å; F56-L79 HydrophobicContact CD1-CD1 3.74Å; F56-L79 HydrophobicContact CD1-CD2 4.47Å; F56-L79 HydrophobicContact CE1-CD1 3.49Å; F56-L79 VanDerWaalsContact CE1-CD1 3.49Å; F56-L79 HydrophobicContact CE2-CD1 4.46Å; F56-L79 HydrophobicContact CG-CD1 4.33Å; F56-L79 HydrophobicContact CG-CD2 4.48Å; F56-L79 HydrophobicContact CZ-CD1 3.87Å; F56-V161 HydrophobicContact CZ-CG2 3.96Å
57	K	96.8	Very high	96.5	Very high	76 Å²	76	42.8 Å²	42.8	33%	0.33	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.2	175.2	-177.4	178.1	-75.2	-141.2	0	110	E40 V41 L42 I76 T77	E40-K57 HydrophobicContact CG-CD 4.16Å; E40-K57 HydrophobicContact CG-CG 3.91Å; E40-K57 VanDerWaalsContact OE1-CE 3.27Å; E40-K57 WeakPolarHBondContact OE1-CE 3.29Å; E40-K57 IonicContact OE1-NZ 2.75Å; E40-K57 PolarHBondContact OE1-NZ 3.1Å; E40-K57 VanDerWaalsContact OE2-CD 3.27Å; E40-K57 WeakPolarHBondContact OE2-CD 3.33Å; E40-K57 WeakPolarHBondContact OE2-CE 3.33Å; E40-K57 IonicContact OE2-NZ 2.96Å; E40-K57 PolarHBondContact OE2-NZ 2.84Å; V41-K57 CarbonylContact O-C 3.53Å; V41-K57 WeakPolarHBondContact O-CA 3.42Å; L42-K57 HydrophobicContact CD1-CB 4.43Å; K57-I76 HydrophobicContact CB-CB 4.47Å; K57-I76 HydrophobicContact CD-CB 4.48Å; K57-I76 HydrophobicContact CG-CB 4.26Å; K57-I76 HydrophobicContact CG-CG1 4.35Å; K57-I76 PolarHBondContact O-N 3.36Å; K57-T77 PolarHBondContact N-OG1 3.44Å; K57-T77 PolarHBondContact O-N 3.2Å; K57-T77 VanDerWaalsContact O-N 3.17Å
58	A	97.9	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.4	177.1	0	0	0	0	0	111	V41 M73 R74 F75	V41-A58 PolarHBondContact N-O 3.02Å; V41-A58 PolarHBondContact O-N 3.45Å; A58-M73 HydrophobicContact CB-CE 3.62Å; A58-M73 HydrophobicContact CB-CG 4.44Å; A58-R74 CarbonylContact C-O 3.54Å; A58-R74 WeakPolarHBondContact CA-O 3.49Å; A58-R74 WeakPolarHBondContact CB-O 3.41Å; A58-F75 HydrophobicContact CB-CD1 3.79Å; A58-F75 HydrophobicContact CB-CE1 4.03Å; A58-F75 HydrophobicContact CB-CG 4.22Å
59	H	98	Very high	96.6	Very high	20 Å²	20	41.4 Å²	41.4	9%	0.093	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.9	167.1	-67.5	159.4	0	0	0	110.9	R38 W39 E40 M73 R74 I76	R38-H59 PolarHBondContact NH2-ND1 3.36Å; W39-H59 VanDerWaalsContact O-CA 3.25Å; W39-H59 WeakPolarHBondContact O-CA 3.38Å; E40-H59 IonicContact OE2-NE2 3.87Å; H59-M73 WeakPolarHBondContact O-CA 3.18Å; H59-R74 PolarHBondContact N-O 3.03Å; H59-R74 PolarHBondContact O-N 3.29Å; H59-I76 HydrophobicContact CB-CD1 4.46Å; H59-I76 WeakPolarHBondContact ND1-CD1 3.39Å
60	L	98.1	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.4	163.8	-81.2	167.7	0	0	0	108.8	W39 V41 F62 P71 K72 M73 V118 I121 L122	W39-L60 HydrophobicContact CB-CB 4.19Å; W39-L60 PolarHBondContact N-O 2.94Å; W39-L60 PolarHBondContact O-N 2.77Å; V41-L60 HydrophobicContact CG2-CD1 3.83Å; V41-L60 HydrophobicContact CG2-CG 4.35Å; L60-F62 HydrophobicContact CB-CE2 3.74Å; L60-F62 HydrophobicContact CB-CZ 4.04Å; L60-F62 HydrophobicContact CD1-CZ 4.28Å; L60-P71 HydrophobicContact CD2-CB 4Å; L60-P71 HydrophobicContact CD2-CG 3.89Å; L60-K72 WeakPolarHBondContact CA-O 3.46Å; L60-M73 HydrophobicContact CD2-CB 3.69Å; L60-M73 HydrophobicContact CD2-CG 3.97Å; L60-M73 HydrophobicContact CD2-SD 4.36Å; L60-M73 HydrophobicContact CG-CG 4.38Å; L60-V118 HydrophobicContact CD1-CG1 3.82Å; L60-I121 HydrophobicContact CD2-CG2 4.44Å; L60-L122 HydrophobicContact CD1-CD2 4.34Å
61	D	98.3	Very high	96.8	Very high	54 Å²	54	40.2 Å²	40.2	29%	0.289	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.1	177.1	-66.4	-64	0	0	0	109.1	R38 P71 K72	R38-D61 VanDerWaalsContact CD-OD1 3.27Å; R38-D61 WeakPolarHBondContact CD-OD1 3.41Å; R38-D61 WeakPolarHBondContact CG-OD1 3.46Å; R38-D61 IonicContact CZ-OD1 3.94Å; R38-D61 IonicContact NE-OD1 3.34Å; R38-D61 PolarHBondContact NE-OD1 2.98Å; D61-P71 CarbonylContact O-C 3.52Å; D61-P71 VanDerWaalsContact O-CA 3.25Å; D61-P71 WeakPolarHBondContact O-CA 3.24Å; D61-P71 WeakPolarHBondContact O-CB 3.35Å; D61-K72 PolarHBondContact N-O 3.4Å; D61-K72 PolarHBondContact O-N 3.46Å
62	F	98.1	Very high	96.8	Very high	13 Å²	13	48.1 Å²	48.1	6%	0.057	23%	0.234	C	C	.	.			trans	-88.4	138	-176.5	-64.3	-93.6	0	0	0	111.5	L11 Y37 W39 L60 Y66 P71 V118	L11-F62 HydrophobicContact CD1-CB 4.01Å; L11-F62 HydrophobicContact CD1-CD1 4.47Å; L11-F62 HydrophobicContact CD1-CG 4.08Å; L11-F62 HydrophobicContact CD2-CB 4.45Å; L11-F62 HydrophobicContact CD2-CD1 3.4Å; L11-F62 VanDerWaalsContact CD2-CD1 3.4Å; L11-F62 HydrophobicContact CD2-CD2 4.13Å; L11-F62 HydrophobicContact CD2-CE1 3.54Å; L11-F62 HydrophobicContact CD2-CE2 4.26Å; L11-F62 HydrophobicContact CD2-CG 3.73Å; L11-F62 HydrophobicContact CD2-CZ 3.99Å; Y37-F62 HydrophobicContact CD1-CB 4.05Å; Y37-F62 WeakPolarHBondContact O-CD2 3.49Å; Y37-F62 PolarHBondContact O-N 3.43Å; W39-F62 HydrophobicContact CB-CE2 4.13Å; W39-F62 AromaticContact CD1-CD2 3.87Å; W39-F62 AromaticContact CD1-CE2 3.45Å; W39-F62 VanDerWaalsContact CD1-CE2 3.45Å; W39-F62 AromaticContact CD2-CE2 3.93Å; W39-F62 HydrophobicContact CD2-CE2 3.93Å; W39-F62 HydrophobicContact CD2-CZ 4.34Å; W39-F62 AromaticContact CE2-CE2 3.96Å; W39-F62 HydrophobicContact CG-CD2 4.42Å; W39-F62 AromaticContact CG-CE2 3.6Å; W39-F62 HydrophobicContact CG-CE2 3.6Å; W39-F62 HydrophobicContact CG-CZ 4.43Å; W39-F62 AromaticContact NE1-CE2 3.69Å; L60-F62 HydrophobicContact CB-CE2 3.74Å; L60-F62 HydrophobicContact CB-CZ 4.04Å; L60-F62 HydrophobicContact CD1-CZ 4.28Å; F62-Y66 HydrophobicContact CD1-CD1 4.5Å; F62-Y66 AromaticContact CD1-CD2 3.72Å; F62-Y66 HydrophobicContact CD1-CD2 3.72Å; F62-Y66 AromaticContact CD1-CE2 3.9Å; F62-Y66 HydrophobicContact CD1-CE2 3.9Å; F62-Y66 HydrophobicContact CD1-CG 4.06Å; F62-Y66 HydrophobicContact CE1-CD2 4.34Å; F62-Y66 HydrophobicContact CE1-CE2 4.05Å; F62-P71 HydrophobicContact CD1-CB 3.63Å; F62-P71 HydrophobicContact CD1-CG 4.06Å; F62-P71 HydrophobicContact CE1-CB 3.79Å; F62-P71 HydrophobicContact CE1-CG 3.82Å; F62-P71 HydrophobicContact CG-CB 4.03Å; F62-P71 HydrophobicContact CZ-CB 4.3Å; F62-P71 HydrophobicContact CZ-CG 4.45Å; F62-V118 HydrophobicContact CE1-CG2 3.83Å; F62-V118 HydrophobicContact CZ-CG2 3.49Å; F62-V118 VanDerWaalsContact CZ-CG2 3.49Å
63	P	96.9	Very high	96.9	Very high	28 Å²	28	43.1 Å²	43.1	18%	0.182	21%	0.211	C	C	.	.			trans	-75.2	157.5	173	34.9	-37.6	0	0	0	110.9	D65 Y66 R69 P70	P63-D65 WeakPolarHBondContact CB-OD1 3.5Å; P63-D65 PolarHBondContact O-N 2.87Å; P63-Y66 VanDerWaalsContact O-CB 3.3Å; P63-Y66 WeakPolarHBondContact O-CB 3.48Å; P63-Y66 PolarHBondContact O-N 2.93Å; P63-Y66 VanDerWaalsContact O-N 3.08Å; P63-R69 HydrophobicContact CG-CB 3.91Å; P63-R69 WeakPolarHBondContact CG-O 3.3Å; P63-P70 VanDerWaalsContact CD-O 3.32Å; P63-P70 WeakPolarHBondContact CD-O 3.23Å; P63-P70 WeakPolarHBondContact CG-O 3.38Å
64	Q	95.3	Very high	97.1	Very high	123 Å²	123	45.5 Å²	45.5	58%	0.575	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.6	-178.9	-68.4	-61.7	-44.3	0	0	113.3	S7 Y37	S7-Q64 VanDerWaalsContact CB-O 3.26Å; S7-Q64 WeakPolarHBondContact CB-O 3.22Å; S7-Q64 PolarHBondContact OG-O 2.82Å; Y37-Q64 VanDerWaalsContact CZ-OE1 3.29Å; Y37-Q64 PolarHBondContact OH-OE1 2.88Å
65	D	95.1	Very high	97.1	Very high	52 Å²	52	45.7 Å²	45.7	28%	0.278	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	15.3	177.3	61.1	-39.3	0	0	0	113.6	P63 L68 R69	P63-D65 WeakPolarHBondContact CB-OD1 3.5Å; P63-D65 PolarHBondContact O-N 2.87Å; D65-L68 WeakPolarHBondContact O-CA 3.35Å; D65-L68 WeakPolarHBondContact O-CB 3.5Å; D65-L68 WeakPolarHBondContact O-CG 3.37Å; D65-L68 PolarHBondContact O-N 2.88Å; D65-R69 VanDerWaalsContact CG-NH2 3.32Å; D65-R69 IonicContact OD1-CZ 3.42Å; D65-R69 IonicContact OD1-NE 3.25Å; D65-R69 PolarHBondContact OD1-NE 3.37Å; D65-R69 IonicContact OD1-NH2 2.78Å; D65-R69 PolarHBondContact OD1-NH2 3.45Å; D65-R69 IonicContact OD2-CZ 3.38Å; D65-R69 IonicContact OD2-NE 2.74Å; D65-R69 PolarHBondContact OD2-NE 3.06Å; D65-R69 IonicContact OD2-NH2 3.2Å; D65-R69 PolarHBondContact OD2-NH2 3.15Å
66	Y	96.4	Very high	97.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	135.3	168.3	-179.4	-95.2	0	0	0	111	S7 L10 L11 Q14 F62 P63 W112 H116	S7-Y66 WeakPolarHBondContact CA-O 3.45Å; S7-Y66 WeakPolarHBondContact CB-O 3.47Å; L10-Y66 HydrophobicContact CD2-CD1 4.06Å; L10-Y66 HydrophobicContact CD2-CE1 3.55Å; L10-Y66 HydrophobicContact CG-CE1 3.95Å; L11-Y66 HydrophobicContact CD1-CD1 4.47Å; L11-Y66 HydrophobicContact CD2-CD1 3.66Å; L11-Y66 HydrophobicContact CD2-CE1 3.6Å; L11-Y66 HydrophobicContact CD2-CG 4.32Å; L11-Y66 HydrophobicContact CG-CD1 3.89Å; L11-Y66 HydrophobicContact CG-CE1 4.16Å; Q14-Y66 PolarHBondContact NE2-OH 3.21Å; Q14-Y66 PolarHBondContact OE1-OH 3.4Å; F62-Y66 HydrophobicContact CD1-CD1 4.5Å; F62-Y66 AromaticContact CD1-CD2 3.72Å; F62-Y66 HydrophobicContact CD1-CD2 3.72Å; F62-Y66 AromaticContact CD1-CE2 3.9Å; F62-Y66 HydrophobicContact CD1-CE2 3.9Å; F62-Y66 HydrophobicContact CD1-CG 4.06Å; F62-Y66 HydrophobicContact CE1-CD2 4.34Å; F62-Y66 HydrophobicContact CE1-CE2 4.05Å; P63-Y66 VanDerWaalsContact O-CB 3.3Å; P63-Y66 WeakPolarHBondContact O-CB 3.48Å; P63-Y66 PolarHBondContact O-N 2.93Å; P63-Y66 VanDerWaalsContact O-N 3.08Å; Y66-W112 HydrophobicContact CD2-CH2 4.48Å; Y66-W112 HydrophobicContact CD2-CZ2 4.04Å; Y66-W112 AromaticContact CE2-CH2 3.55Å; Y66-W112 HydrophobicContact CE2-CH2 3.55Å; Y66-W112 AromaticContact CE2-CZ2 3.44Å; Y66-W112 HydrophobicContact CE2-CZ2 3.44Å; Y66-W112 VanDerWaalsContact CE2-CZ2 3.44Å; Y66-H116 PolarHBondContact OH-O 3.01Å
67	P	95.9	Very high	97.2	Very high	24 Å²	24	46.9 Å²	46.9	16%	0.156	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.9	20.8	9	39.8	-37.1	0	0	0	114.1	L10 R69 W112 P114	L10-P67 HydrophobicContact CD2-CB 3.89Å; L10-P67 HydrophobicContact CD2-CG 3.57Å; P67-R69 VanDerWaalsContact C-N 3.31Å; P67-W112 HydrophobicContact CB-CZ2 4.16Å; P67-W112 PolarHBondContact O-NE1 3.26Å; P67-P114 HydrophobicContact CB-CB 4.27Å; P67-P114 HydrophobicContact CG-CB 4.11Å; P67-P114 WeakPolarHBondContact O-CA 3.35Å
68	L	95	Very high	97.2	Very high	112 Å²	112	49 Å²	49	59%	0.586	23%	0.233	S	C	*	.	S	Bend	trans	-69.1	-33.2	177.6	-57.8	178.7	0	0	0	112	D65	D65-L68 WeakPolarHBondContact O-CA 3.35Å; D65-L68 WeakPolarHBondContact O-CB 3.5Å; D65-L68 WeakPolarHBondContact O-CG 3.37Å; D65-L68 PolarHBondContact O-N 2.88Å
69	R	96.1	Very high	97.1	Very high	114 Å²	114	49.7 Å²	49.7	43%	0.43	24%	0.237	S	C	.	.	S	Bend	trans	-121.4	149.5	173.3	-76.4	-170	-67.1	162.8	4	111.7	P63 D65 P67	P63-R69 HydrophobicContact CG-CB 3.91Å; P63-R69 WeakPolarHBondContact CG-O 3.3Å; D65-R69 VanDerWaalsContact CG-NH2 3.32Å; D65-R69 IonicContact OD1-CZ 3.42Å; D65-R69 IonicContact OD1-NE 3.25Å; D65-R69 PolarHBondContact OD1-NE 3.37Å; D65-R69 IonicContact OD1-NH2 2.78Å; D65-R69 PolarHBondContact OD1-NH2 3.45Å; D65-R69 IonicContact OD2-CZ 3.38Å; D65-R69 IonicContact OD2-NE 2.74Å; D65-R69 PolarHBondContact OD2-NE 3.06Å; D65-R69 IonicContact OD2-NH2 3.2Å; D65-R69 PolarHBondContact OD2-NH2 3.15Å; P67-R69 VanDerWaalsContact C-N 3.31Å
70	P	97.8	Very high	97.1	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.078	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.4	156.5	-179.3	27.7	-32.7	0	0	0	111.5	P63 L95 W112	P63-P70 VanDerWaalsContact CD-O 3.32Å; P63-P70 WeakPolarHBondContact CD-O 3.23Å; P63-P70 WeakPolarHBondContact CG-O 3.38Å; P70-L95 WeakPolarHBondContact CG-O 3.45Å; P70-W112 HydrophobicContact CB-CB 3.94Å; P70-W112 HydrophobicContact CB-CD2 3.59Å; P70-W112 HydrophobicContact CB-CE3 3.79Å; P70-W112 HydrophobicContact CB-CG 3.67Å; P70-W112 HydrophobicContact CG-CB 3.96Å; P70-W112 HydrophobicContact CG-CD2 4.44Å; P70-W112 HydrophobicContact CG-CG 4Å
71	P	98.2	Very high	97.1	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-67.4	165	162.1	31.9	-34.2	0	0	0	111.2	L60 D61 F62 L95 I121	L60-P71 HydrophobicContact CD2-CB 4Å; L60-P71 HydrophobicContact CD2-CG 3.89Å; D61-P71 CarbonylContact O-C 3.52Å; D61-P71 VanDerWaalsContact O-CA 3.25Å; D61-P71 WeakPolarHBondContact O-CA 3.24Å; D61-P71 WeakPolarHBondContact O-CB 3.35Å; F62-P71 HydrophobicContact CD1-CB 3.63Å; F62-P71 HydrophobicContact CD1-CG 4.06Å; F62-P71 HydrophobicContact CE1-CB 3.79Å; F62-P71 HydrophobicContact CE1-CG 3.82Å; F62-P71 HydrophobicContact CG-CB 4.03Å; F62-P71 HydrophobicContact CZ-CB 4.3Å; F62-P71 HydrophobicContact CZ-CG 4.45Å; P71-L95 HydrophobicContact CG-CD2 4.19Å; P71-I121 HydrophobicContact CG-CD1 3.44Å; P71-I121 VanDerWaalsContact CG-CD1 3.44Å
72	K	98.3	Very high	97	Very high	166 Å²	166	48 Å²	48	72%	0.722	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.5	164.6	-65.6	-178.8	179.7	-178.3	0	109.1	L60 D61	L60-K72 WeakPolarHBondContact CA-O 3.46Å; D61-K72 PolarHBondContact N-O 3.4Å; D61-K72 PolarHBondContact O-N 3.46Å
73	M	98.4	Very high	97	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.3	174.4	-170.2	172.1	175.6	0	0	110.6	V43 A58 H59 L60 F75 V90 L95 I121 L122 V125	V43-M73 HydrophobicContact CG2-CE 4.22Å; A58-M73 HydrophobicContact CB-CE 3.62Å; A58-M73 HydrophobicContact CB-CG 4.44Å; H59-M73 WeakPolarHBondContact O-CA 3.18Å; L60-M73 HydrophobicContact CD2-CB 3.69Å; L60-M73 HydrophobicContact CD2-CG 3.97Å; L60-M73 HydrophobicContact CD2-SD 4.36Å; L60-M73 HydrophobicContact CG-CG 4.38Å; M73-F75 HydrophobicContact CE-CE1 4.38Å; M73-F75 HydrophobicContact CE-CE2 4.21Å; M73-F75 HydrophobicContact CE-CZ 3.93Å; M73-V90 HydrophobicContact CB-CB 4.16Å; M73-V90 HydrophobicContact CB-CG2 4.05Å; M73-V90 HydrophobicContact CG-CB 4.46Å; M73-V90 HydrophobicContact CG-CG2 3.84Å; M73-V90 PolarHBondContact O-N 3.05Å; M73-V90 HydrophobicContact SD-CG2 4.16Å; M73-L95 HydrophobicContact CB-CD1 3.73Å; M73-I121 HydrophobicContact SD-CG2 4.5Å; M73-L122 HydrophobicContact CE-CD2 4.06Å; M73-L122 HydrophobicContact SD-CD2 4.35Å; M73-V125 HydrophobicContact CE-CG1 4.08Å; M73-V125 HydrophobicContact CE-CG2 4.18Å; M73-V125 HydrophobicContact SD-CB 4.49Å; M73-V125 HydrophobicContact SD-CG1 4.48Å; M73-V125 HydrophobicContact SD-CG2 3.55Å; M73-V125 VanDerWaalsContact SD-CG2 3.55Å
74	R	98.4	Very high	97	Very high	78 Å²	78	46.3 Å²	46.3	29%	0.294	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.5	177	-173.4	176.2	63.7	82.7	0	111.3	A58 H59 I76 E87 G88 N89	A58-R74 CarbonylContact C-O 3.54Å; A58-R74 WeakPolarHBondContact CA-O 3.49Å; A58-R74 WeakPolarHBondContact CB-O 3.41Å; H59-R74 PolarHBondContact N-O 3.03Å; H59-R74 PolarHBondContact O-N 3.29Å; R74-I76 VanDerWaalsContact CZ-CD1 3.46Å; R74-I76 VanDerWaalsContact NH2-CD1 3.3Å; R74-E87 WeakPolarHBondContact CD-O 3.42Å; R74-E87 WeakPolarHBondContact CG-O 3.19Å; R74-G88 CarbonylContact C-O 3.46Å; R74-G88 VanDerWaalsContact CA-O 3.29Å; R74-G88 WeakPolarHBondContact CA-O 3.22Å; R74-N89 WeakPolarHBondContact CD-OD1 3.21Å
75	F	98.3	Very high	97.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.8	169.8	-77.1	-79.4	0	0	0	110.8	V43 F56 A58 M73 L79 I84 G88 V90 V125	V43-F75 HydrophobicContact CB-CE1 4.4Å; V43-F75 HydrophobicContact CG2-CE1 4.35Å; F56-F75 HydrophobicContact CB-CD1 3.79Å; F56-F75 HydrophobicContact CB-CE1 3.54Å; A58-F75 HydrophobicContact CB-CD1 3.79Å; A58-F75 HydrophobicContact CB-CE1 4.03Å; A58-F75 HydrophobicContact CB-CG 4.22Å; M73-F75 HydrophobicContact CE-CE1 4.38Å; M73-F75 HydrophobicContact CE-CE2 4.21Å; M73-F75 HydrophobicContact CE-CZ 3.93Å; F75-L79 HydrophobicContact CD1-CD2 4.1Å; F75-L79 HydrophobicContact CD2-CD2 3.94Å; F75-L79 HydrophobicContact CE1-CD2 4.06Å; F75-L79 HydrophobicContact CE2-CD2 3.87Å; F75-L79 HydrophobicContact CG-CD2 4.04Å; F75-L79 HydrophobicContact CZ-CD2 3.93Å; F75-I84 HydrophobicContact CD2-CD1 3.59Å; F75-I84 HydrophobicContact CD2-CG1 4.4Å; F75-I84 HydrophobicContact CD2-CG2 4.25Å; F75-I84 HydrophobicContact CE2-CD1 3.48Å; F75-I84 VanDerWaalsContact CE2-CD1 3.48Å; F75-I84 HydrophobicContact CE2-CG1 4.45Å; F75-I84 HydrophobicContact CZ-CD1 4.48Å; F75-G88 PolarHBondContact N-O 2.86Å; F75-V90 HydrophobicContact CD2-CG2 3.6Å; F75-V90 HydrophobicContact CE2-CG2 3.56Å; F75-V125 HydrophobicContact CE2-CG1 4.27Å; F75-V125 HydrophobicContact CZ-CG1 3.93Å
76	I	97.2	Very high	97.1	Very high	72 Å²	72	47.6 Å²	47.6	37%	0.369	22%	0.219	S	C	.	.	S	Bend	trans	-90	-38.3	172.1	-50.1	-52.8	0	0	0	109.2	K57 H59 R74	K57-I76 HydrophobicContact CB-CB 4.47Å; K57-I76 HydrophobicContact CD-CB 4.48Å; K57-I76 HydrophobicContact CG-CB 4.26Å; K57-I76 HydrophobicContact CG-CG1 4.35Å; K57-I76 PolarHBondContact O-N 3.36Å; H59-I76 HydrophobicContact CB-CD1 4.46Å; H59-I76 WeakPolarHBondContact ND1-CD1 3.39Å; R74-I76 VanDerWaalsContact CZ-CD1 3.46Å; R74-I76 VanDerWaalsContact NH2-CD1 3.3Å
77	T	96.6	Very high	97.1	Very high	27 Å²	27	53.5 Å²	53.5	17%	0.166	25%	0.247	C	C	.	.	S	Bend	trans	-69.4	132.7	169.7	-55	0	0	0	0	109.9	F56 K57 L79	F56-T77 HydrophobicContact CD1-CG2 3.8Å; F56-T77 HydrophobicContact CE1-CG2 4.48Å; K57-T77 PolarHBondContact N-OG1 3.44Å; K57-T77 PolarHBondContact O-N 3.2Å; K57-T77 VanDerWaalsContact O-N 3.17Å; T77-L79 PolarHBondContact O-N 2.99Å
78	E	96.2	Very high	97.2	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	24%	0.244	S	C	*	.			trans	-58.1	126.2	175	-175.4	-172.2	173.6	0	0	110.6	C160 K163	E78-C160 WeakPolarHBondContact O-CB 3.49Å; E78-K163 IonicContact OE2-NZ 2.67Å; E78-K163 PolarHBondContact OE2-NZ 3Å
79	L	96	Very high	97.3	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.079	23%	0.233	C	C	.	.			trans	-137.2	133	-176.1	-166.7	55	0	0	0	111.1	Y51 F56 F75 T77 H81 I84 L129	Y51-L79 HydrophobicContact CD1-CD1 3.71Å; Y51-L79 HydrophobicContact CE1-CD1 3.58Å; Y51-L79 HydrophobicContact CE1-CG 4.35Å; F56-L79 HydrophobicContact CD1-CD1 3.74Å; F56-L79 HydrophobicContact CD1-CD2 4.47Å; F56-L79 HydrophobicContact CE1-CD1 3.49Å; F56-L79 VanDerWaalsContact CE1-CD1 3.49Å; F56-L79 HydrophobicContact CE2-CD1 4.46Å; F56-L79 HydrophobicContact CG-CD1 4.33Å; F56-L79 HydrophobicContact CG-CD2 4.48Å; F56-L79 HydrophobicContact CZ-CD1 3.87Å; F75-L79 HydrophobicContact CD1-CD2 4.1Å; F75-L79 HydrophobicContact CD2-CD2 3.94Å; F75-L79 HydrophobicContact CE1-CD2 4.06Å; F75-L79 HydrophobicContact CE2-CD2 3.87Å; F75-L79 HydrophobicContact CG-CD2 4.04Å; F75-L79 HydrophobicContact CZ-CD2 3.93Å; T77-L79 PolarHBondContact O-N 2.99Å; L79-H81 HydrophobicContact CG-CB 4.46Å; L79-I84 HydrophobicContact CB-CD1 4.45Å; L79-I84 HydrophobicContact CD2-CD1 3.31Å; L79-I84 HydrophobicContact CG-CD1 3.93Å; L79-L129 HydrophobicContact CD2-CD2 4.06Å
80	W	97.9	Very high	97.4	Very high	37 Å²	37	45.9 Å²	45.9	14%	0.14	22%	0.217	C	C	.	.			trans	-102.1	99.4	178.5	-172	-107.4	0	0	0	110	Y51 N139 D141 A142 F153 R156 V157	Y51-W80 PolarHBondContact OH-O 2.87Å; W80-N139 WeakPolarHBondContact CZ3-ND2 3.45Å; W80-D141 HydrophobicContact CH2-CB 3.68Å; W80-D141 HydrophobicContact CZ2-CB 3.92Å; W80-A142 HydrophobicContact CD2-CB 4.08Å; W80-A142 HydrophobicContact CG-CB 4.45Å; W80-A142 HydrophobicContact CH2-CB 4.47Å; W80-A142 HydrophobicContact CZ2-CB 3.87Å; W80-F153 AromaticContact CD1-CD2 3.79Å; W80-F153 AromaticContact CD1-CE2 3.85Å; W80-F153 AromaticContact NE1-CD2 3.84Å; W80-R156 HydrophobicContact CB-CB 4.44Å; W80-R156 HydrophobicContact CG-CB 3.98Å; W80-R156 VanDerWaalsContact CH2-NH1 3.3Å; W80-R156 VanDerWaalsContact CZ2-NH1 3.32Å; W80-V157 HydrophobicContact CB-CG2 4.36Å; W80-V157 WeakPolarHBondContact O-CG2 3.43Å
81	H	98	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.227	C	C	.	.			trans	-149	142.5	-172.6	-171.9	-77.7	0	0	0	111.8	Y51 L79 N83 I84 L128 N139	Y51-H81 AromaticContact CZ-CD2 3.62Å; Y51-H81 PolarHBondContact OH-CD2 3.17Å; L79-H81 HydrophobicContact CG-CB 4.46Å; H81-N83 VanDerWaalsContact C-N 3.31Å; H81-N83 PolarHBondContact CE1-OD1 2.84Å; H81-N83 PolarHBondContact ND1-N 3.23Å; H81-N83 PolarHBondContact O-N 3.28Å; H81-I84 HydrophobicContact CB-CB 3.97Å; H81-I84 HydrophobicContact CB-CD1 3.62Å; H81-I84 HydrophobicContact CB-CG1 3.78Å; H81-I84 PolarHBondContact O-N 2.89Å; H81-I84 VanDerWaalsContact O-O 3.1Å; H81-L128 PolarHBondContact NE2-O 3.15Å; H81-N139 WeakPolarHBondContact O-CB 3.4Å
82	P	97.6	Very high	97.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.5	179.8	-29.8	39.1	0	0	0	114.9	P132 P137 A138 N139 A142 A143 W146 F153	P82-P132 HydrophobicContact CB-CB 4.05Å; P82-P132 HydrophobicContact CG-CB 3.65Å; P82-P132 HydrophobicContact CG-CG 4.17Å; P82-P137 HydrophobicContact CB-CB 4.41Å; P82-P137 CarbonylContact O-C 3.45Å; P82-P137 WeakPolarHBondContact O-CA 3.44Å; P82-P137 WeakPolarHBondContact O-CB 3.42Å; P82-A138 PolarHBondContact O-N 3.06Å; P82-N139 PolarHBondContact O-N 2.97Å; P82-A142 HydrophobicContact CG-CB 4.48Å; P82-A143 HydrophobicContact CB-CB 3.98Å; P82-A143 HydrophobicContact CG-CB 4.46Å; P82-W146 HydrophobicContact CG-CB 4.17Å; P82-W146 HydrophobicContact CG-CG 4.45Å; P82-F153 HydrophobicContact CG-CE2 4.4Å
83	N	97.7	Very high	96.9	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	16	-178.5	-55.4	99.2	0	0	0	114.7	H81 C91 L128 N133	H81-N83 VanDerWaalsContact C-N 3.31Å; H81-N83 PolarHBondContact CE1-OD1 2.84Å; H81-N83 PolarHBondContact ND1-N 3.23Å; H81-N83 PolarHBondContact O-N 3.28Å; N83-C91 WeakPolarHBondContact CB-O 3.41Å; N83-C91 PolarHBondContact O-N 3.01Å; N83-L128 HydrophobicContact CB-CD1 4.12Å; N83-L128 HydrophobicContact CB-CD2 3.71Å; N83-L128 HydrophobicContact CB-CG 4.17Å; N83-N133 PolarHBondContact ND2-O 3.27Å; N83-N133 PolarHBondContact OD1-N 3.09Å; N83-N133 PolarHBondContact OD1-O 3.45Å
84	I	97.8	Very high	96.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-127.4	121.1	177.6	-54.6	176.2	0	0	0	108.1	F75 L79 H81 N89 V90 N139	F75-I84 HydrophobicContact CD2-CD1 3.59Å; F75-I84 HydrophobicContact CD2-CG1 4.4Å; F75-I84 HydrophobicContact CD2-CG2 4.25Å; F75-I84 HydrophobicContact CE2-CD1 3.48Å; F75-I84 VanDerWaalsContact CE2-CD1 3.48Å; F75-I84 HydrophobicContact CE2-CG1 4.45Å; F75-I84 HydrophobicContact CZ-CD1 4.48Å; L79-I84 HydrophobicContact CB-CD1 4.45Å; L79-I84 HydrophobicContact CD2-CD1 3.31Å; L79-I84 HydrophobicContact CG-CD1 3.93Å; H81-I84 HydrophobicContact CB-CB 3.97Å; H81-I84 HydrophobicContact CB-CD1 3.62Å; H81-I84 HydrophobicContact CB-CG1 3.78Å; H81-I84 PolarHBondContact O-N 2.89Å; H81-I84 VanDerWaalsContact O-O 3.1Å; I84-N89 WeakPolarHBondContact CA-O 3.37Å; I84-V90 HydrophobicContact CG1-CG2 4.48Å; I84-N139 VanDerWaalsContact O-CB 3.22Å; I84-N139 WeakPolarHBondContact O-CB 3.36Å
85	D	96.4	Very high	96.6	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.214	20%	0.2	C	C	.	.			trans	-73.3	-179.4	-178.9	72.8	16.5	0	0	0	112.7	E87 G88 N89 A138	D85-E87 PolarHBondContact O-N 3.22Å; D85-E87 WeakPolarHBondContact OD1-CA 3.49Å; D85-E87 WeakPolarHBondContact OD1-CB 3.42Å; D85-E87 PolarHBondContact OD1-N 3.28Å; D85-G88 PolarHBondContact O-N 3.4Å; D85-G88 PolarHBondContact OD1-N 2.77Å; D85-N89 PolarHBondContact N-O 3.25Å; D85-N89 VanDerWaalsContact N-O 3.09Å; D85-N89 PolarHBondContact OD1-N 3.14Å; D85-N89 PolarHBondContact OD1-ND2 2.74Å; D85-N89 VanDerWaalsContact OD2-CB 3.3Å; D85-N89 WeakPolarHBondContact OD2-CB 3.11Å; D85-N89 PolarHBondContact OD2-ND2 3.38Å; D85-A138 HydrophobicContact CB-CB 4.22Å
86	K	95	Very high	96.5	Very high	162 Å²	162	41.5 Å²	41.5	70%	0.704	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.3	-176.3	-64.4	-178.3	-179	176.5	0	112.5	G88	K86-G88 VanDerWaalsContact C-N 3.33Å
87	E	96.8	Very high	96.3	Very high	129 Å²	129	42.1 Å²	42.1	60%	0.603	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.7	177.4	-62.5	70.7	-153.9	0	0	112.2	R74 D85	R74-E87 WeakPolarHBondContact CD-O 3.42Å; R74-E87 WeakPolarHBondContact CG-O 3.19Å; D85-E87 PolarHBondContact O-N 3.22Å; D85-E87 WeakPolarHBondContact OD1-CA 3.49Å; D85-E87 WeakPolarHBondContact OD1-CB 3.42Å; D85-E87 PolarHBondContact OD1-N 3.28Å
88	G	97.7	Very high	96.1	Very high	10 Å²	10	44 Å²	44	10%	0.103	23%	0.226	C	C	.	.			trans	91.8	3.4	178.1	0	0	0	0	0	114.4	R74 F75 D85 K86	R74-G88 CarbonylContact C-O 3.46Å; R74-G88 VanDerWaalsContact CA-O 3.29Å; R74-G88 WeakPolarHBondContact CA-O 3.22Å; F75-G88 PolarHBondContact N-O 2.86Å; D85-G88 PolarHBondContact O-N 3.4Å; D85-G88 PolarHBondContact OD1-N 2.77Å; K86-G88 VanDerWaalsContact C-N 3.33Å
89	N	98	Very high	95.9	Very high	64 Å²	64	39.9 Å²	39.9	34%	0.342	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-69.2	134.9	-179	-51.1	-65.7	0	0	0	110.3	R74 I84 D85	R74-N89 WeakPolarHBondContact CD-OD1 3.21Å; I84-N89 WeakPolarHBondContact CA-O 3.37Å; D85-N89 PolarHBondContact N-O 3.25Å; D85-N89 VanDerWaalsContact N-O 3.09Å; D85-N89 PolarHBondContact OD1-N 3.14Å; D85-N89 PolarHBondContact OD1-ND2 2.74Å; D85-N89 VanDerWaalsContact OD2-CB 3.3Å; D85-N89 WeakPolarHBondContact OD2-CB 3.11Å; D85-N89 PolarHBondContact OD2-ND2 3.38Å
90	V	97.6	Very high	95.4	Very high	15 Å²	15	46 Å²	46	9%	0.091	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-89.6	127.8	-179.8	-173.7	0	0	0	0	109.7	M73 F75 I84 I92 L95 V125 L128	M73-V90 HydrophobicContact CB-CB 4.16Å; M73-V90 HydrophobicContact CB-CG2 4.05Å; M73-V90 HydrophobicContact CG-CB 4.46Å; M73-V90 HydrophobicContact CG-CG2 3.84Å; M73-V90 PolarHBondContact O-N 3.05Å; M73-V90 HydrophobicContact SD-CG2 4.16Å; F75-V90 HydrophobicContact CD2-CG2 3.6Å; F75-V90 HydrophobicContact CE2-CG2 3.56Å; I84-V90 HydrophobicContact CG1-CG2 4.48Å; V90-I92 HydrophobicContact CG1-CG2 4.04Å; V90-L95 HydrophobicContact CB-CD1 4.31Å; V90-L95 HydrophobicContact CG1-CD1 4.42Å; V90-V125 HydrophobicContact CG1-CG2 4.38Å; V90-L128 HydrophobicContact CG1-CD2 4.14Å
91	C	94.9	Very high	94.8	Very high	43 Å²	43	45.7 Å²	45.7	29%	0.291	25%	0.251	S	S	.	.			trans	-112.2	98.8	177.7	-169.8	0	0	0	0	109.9	N83 H96 A138	N83-C91 WeakPolarHBondContact CB-O 3.41Å; N83-C91 PolarHBondContact O-N 3.01Å; C91-H96 PolarHBondContact SG-NE2 3.14Å; C91-A138 HydrophobicContact CB-CB 3.88Å
92	I	94.3	Very high	94.1	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.128	29%	0.288	C	S	.	.			trans	-144	145.2	178.2	-175	169.2	0	0	0	108.9	V90 I94 L95 L128	V90-I92 HydrophobicContact CG1-CG2 4.04Å; I92-I94 VanDerWaalsContact C-N 3.27Å; I92-I94 HydrophobicContact CD1-CG2 4.44Å; I92-I94 HydrophobicContact CG1-CG2 4.29Å; I92-I94 HydrophobicContact CG2-CG2 3.83Å; I92-I94 PolarHBondContact O-N 3.06Å; I92-I94 VanDerWaalsContact O-N 3.14Å; I92-L95 HydrophobicContact CG2-CB 4.24Å; I92-L95 HydrophobicContact CG2-CD1 3.84Å; I92-L95 HydrophobicContact CG2-CG 3.84Å; I92-L95 PolarHBondContact O-N 2.99Å; I92-L128 HydrophobicContact CB-CD2 4.13Å; I92-L128 HydrophobicContact CD1-CB 4.16Å; I92-L128 HydrophobicContact CD1-CD1 4.16Å; I92-L128 HydrophobicContact CD1-CD2 4.09Å; I92-L128 HydrophobicContact CD1-CG 4.37Å
93	S	93.8	Very high	93.4	Very high	32 Å²	32	62.1 Å²	62.1	22%	0.224	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-52.1	-41.7	-171.8	67.4	0	0	0	0	113.3	L95 H96 E110 R111	S93-L95 PolarHBondContact O-N 3.19Å; S93-H96 VanDerWaalsContact O-CB 3.3Å; S93-H96 WeakPolarHBondContact O-CB 3.44Å; S93-H96 PolarHBondContact O-N 3.43Å; S93-E110 CarbonylContact C-O 3.27Å; S93-E110 VanDerWaalsContact C-O 3.27Å; S93-E110 WeakPolarHBondContact CB-O 3.41Å; S93-E110 PolarHBondContact OG-O 3.26Å; S93-R111 VanDerWaalsContact O-CA 3.28Å; S93-R111 WeakPolarHBondContact O-CA 3.3Å
94	I	95.3	Very high	92.6	Very high	8 Å²	8	65 Å²	65	4%	0.041	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-58.8	-23.9	178.9	-165.4	174.3	0	0	0	113.1	I92 E110 W112 H116 I121	I92-I94 VanDerWaalsContact C-N 3.27Å; I92-I94 HydrophobicContact CD1-CG2 4.44Å; I92-I94 HydrophobicContact CG1-CG2 4.29Å; I92-I94 HydrophobicContact CG2-CG2 3.83Å; I92-I94 PolarHBondContact O-N 3.06Å; I92-I94 VanDerWaalsContact O-N 3.14Å; I94-E110 PolarHBondContact N-O 3.34Å; I94-W112 HydrophobicContact CG1-CE3 4.46Å; I94-W112 VanDerWaalsContact O-CE3 3.29Å; I94-H116 HydrophobicContact CD1-CB 4.27Å; I94-H116 HydrophobicContact CG1-CB 4.47Å; I94-I121 HydrophobicContact CD1-CG1 4.32Å
95	L	96.5	Very high	91.9	Very high	19 Å²	19	71.9 Å²	71.9	10%	0.099	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-95.2	0.5	176.5	-63.3	-179.5	0	0	0	113.5	P70 P71 M73 V90 I92 S93 I121	P70-L95 WeakPolarHBondContact CG-O 3.45Å; P71-L95 HydrophobicContact CG-CD2 4.19Å; M73-L95 HydrophobicContact CB-CD1 3.73Å; V90-L95 HydrophobicContact CB-CD1 4.31Å; V90-L95 HydrophobicContact CG1-CD1 4.42Å; I92-L95 HydrophobicContact CG2-CB 4.24Å; I92-L95 HydrophobicContact CG2-CD1 3.84Å; I92-L95 HydrophobicContact CG2-CG 3.84Å; I92-L95 PolarHBondContact O-N 2.99Å; S93-L95 PolarHBondContact O-N 3.19Å; L95-I121 HydrophobicContact CD2-CD1 4.03Å; L95-I121 HydrophobicContact CD2-CG1 4.13Å; L95-I121 HydrophobicContact CD2-CG2 3.83Å; L95-I121 HydrophobicContact CG-CG2 4.47Å
96	H	94.7	Very high	91.3	Very high	47 Å²	47	71.6 Å²	71.6	22%	0.218	37%	0.373	C	S	.	.	S	Bend	trans	-82.2	143.2	174.4	-64.1	167.4	0	0	0	111.1	C91 S93 E106 R111 W112	C91-H96 PolarHBondContact SG-NE2 3.14Å; S93-H96 VanDerWaalsContact O-CB 3.3Å; S93-H96 WeakPolarHBondContact O-CB 3.44Å; S93-H96 PolarHBondContact O-N 3.43Å; H96-E106 IonicContact CE1-OE1 3.49Å; H96-E106 PolarHBondContact CE1-OE1 2.92Å; H96-E106 IonicContact CE1-OE2 2.74Å; H96-E106 IonicContact CG-OE2 3.95Å; H96-E106 VanDerWaalsContact ND1-CD 3.28Å; H96-E106 IonicContact ND1-OE1 3.69Å; H96-E106 PolarHBondContact ND1-OE1 3.12Å; H96-E106 IonicContact ND1-OE2 3.58Å; H96-E106 PolarHBondContact ND1-OE2 3.36Å; H96-R111 HydrophobicContact CB-CG 4.38Å; H96-W112 WeakPolarHBondContact O-CB 3.27Å; H96-W112 PolarHBondContact O-N 3.09Å
97	D	94	Very high	91	Very high	86 Å²	86	70.5 Å²	70.5	46%	0.46	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-51.7	146.8	178	-82.4	-43.7	0	0	0	112.1	R111	D97-R111 PolarHBondContact O-NE 3.46Å; D97-R111 PolarHBondContact O-NH1 2.91Å; D97-R111 PolarHBondContact O-NH2 3.49Å
98	P	92.6	Very high	90.5	Very high	65 Å²	65	66.2 Å²	66.2	42%	0.422	36%	0.355	S	S	.	.	S	Bend	trans	-62.8	155.1	-178.4	26.9	-35.4	0	0	0	112.3
99	G	90.6	Very high	90.1	Very high	35 Å²	35	69.6 Å²	69.6	36%	0.361	38%	0.377	S	S	.	.	S	Bend	trans	108	-174.7	176.7	0	0	0	0	0	113.3	R111	G99-R111 VanDerWaalsContact O-CD 3.3Å; G99-R111 WeakPolarHBondContact O-CD 3.37Å; G99-R111 PolarHBondContact O-NH1 3.23Å
100	D	86.1	Confident	89.8	Confident	144 Å²	144	70.6 Å²	70.6	77%	0.77	38%	0.38	S	S	*	.			trans	-69.8	136.1	-176.3	-61.4	-45.7	0	0	0	111.3	K102 R111	D100-K102 PolarHBondContact O-N 2.87Å; D100-R111 PolarHBondContact O-NH1 3.49Å
101	D	85.2	Confident	89.6	Confident	30 Å²	30	71.5 Å²	71.5	16%	0.16	38%	0.381	C	S	.	.			trans	-68	130.1	169.6	173.7	35.8	0	0	0	109.4	Y103 G104 Y105 E106	D101-Y103 PolarHBondContact O-N 2.93Å; D101-Y103 VanDerWaalsContact O-N 3.16Å; D101-Y103 PolarHBondContact OD1-N 3.07Å; D101-Y103 PolarHBondContact OD2-N 3.41Å; D101-G104 PolarHBondContact O-N 3.08Å; D101-G104 VanDerWaalsContact O-N 3.15Å; D101-G104 PolarHBondContact OD2-N 2.85Å; D101-Y105 PolarHBondContact OD2-N 3Å; D101-E106 HydrophobicContact CB-CB 4.12Å
102	K	83.1	Confident	89.7	Confident	181 Å²	181	69.5 Å²	69.5	79%	0.787	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.5	-179.4	-178.6	-179.6	176.1	-173.7	0	111.9	D100	D100-K102 PolarHBondContact O-N 2.87Å
103	Y	83.7	Confident	89.8	Confident	164 Å²	164	71.4 Å²	71.4	64%	0.643	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-8.3	-176.8	-54.1	-71.6	0	0	0	113.3	D101 Y105	D101-Y103 PolarHBondContact O-N 2.93Å; D101-Y103 VanDerWaalsContact O-N 3.16Å; D101-Y103 PolarHBondContact OD1-N 3.07Å; D101-Y103 PolarHBondContact OD2-N 3.41Å; Y103-Y105 VanDerWaalsContact C-N 3.3Å; Y103-Y105 VanDerWaalsContact CB-CE2 3.41Å; Y103-Y105 HydrophobicContact CG-CD2 4.35Å; Y103-Y105 HydrophobicContact CG-CE2 4.19Å; Y103-Y105 PolarHBondContact O-N 3.05Å
104	G	81.3	Confident	89.9	Confident	63 Å²	63	73.3 Å²	73.3	65%	0.649	39%	0.39	S	S	*	.	S	Bend	trans	71.2	19	178.6	0	0	0	0	0	114.6	D101	D101-G104 PolarHBondContact O-N 3.08Å; D101-G104 VanDerWaalsContact O-N 3.15Å; D101-G104 PolarHBondContact OD2-N 2.85Å
105	Y	81.5	Confident	89.9	Confident	148 Å²	148	79.6 Å²	79.6	58%	0.58	42%	0.422	S	S	*	.	S	Bend	trans	-78.3	-30.4	176	-66.4	-63.9	0	0	0	112.2	D101 Y103	D101-Y105 PolarHBondContact OD2-N 3Å; Y103-Y105 VanDerWaalsContact C-N 3.3Å; Y103-Y105 VanDerWaalsContact CB-CE2 3.41Å; Y103-Y105 HydrophobicContact CG-CD2 4.35Å; Y103-Y105 HydrophobicContact CG-CE2 4.19Å; Y103-Y105 PolarHBondContact O-N 3.05Å
106	E	85.6	Confident	89.8	Confident	34 Å²	34	80.7 Å²	80.7	16%	0.159	43%	0.426	C	S	.	.	S	Bend	trans	-118.3	140.3	-175.5	-58.1	176.2	161.7	0	0	110.9	H96 D101 R111	H96-E106 IonicContact CE1-OE1 3.49Å; H96-E106 PolarHBondContact CE1-OE1 2.92Å; H96-E106 IonicContact CE1-OE2 2.74Å; H96-E106 IonicContact CG-OE2 3.95Å; H96-E106 VanDerWaalsContact ND1-CD 3.28Å; H96-E106 IonicContact ND1-OE1 3.69Å; H96-E106 PolarHBondContact ND1-OE1 3.12Å; H96-E106 IonicContact ND1-OE2 3.58Å; H96-E106 PolarHBondContact ND1-OE2 3.36Å; D101-E106 HydrophobicContact CB-CB 4.12Å; E106-R111 HydrophobicContact CB-CG 4.23Å; E106-R111 IonicContact OE2-NE 2.74Å; E106-R111 PolarHBondContact OE2-NE 3.2Å
107	K	87.6	Confident	89.8	Confident	139 Å²	139	80.7 Å²	80.7	60%	0.604	43%	0.429	S	S	*	.			trans	-76.8	146.5	169.1	-63.2	172.5	-174.5	163.9	0	109.3	S109 E110 R111	K107-S109 PolarHBondContact O-N 3.09Å; K107-E110 HydrophobicContact CB-CG 4.15Å; K107-E110 PolarHBondContact N-OE2 3.21Å; K107-E110 WeakPolarHBondContact O-CB 3.34Å; K107-E110 PolarHBondContact O-N 2.86Å; K107-R111 PolarHBondContact O-N 2.81Å
108	A	87.2	Confident	89.8	Confident	38 Å²	38	76.6 Å²	76.6	31%	0.314	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.5	173.5	0	0	0	0	0	113.2	E110 R111	A108-E110 VanDerWaalsContact C-N 3.3Å; A108-E110 PolarHBondContact O-N 3.4Å; A108-R111 PolarHBondContact O-N 3.17Å
109	S	89.6	Confident	89.8	Confident	82 Å²	82	77.7 Å²	77.7	57%	0.573	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-73.4	-16.6	175.4	58.8	0	0	0	0	114.7	K107	K107-S109 PolarHBondContact O-N 3.09Å
110	E	89.7	Confident	89.9	Confident	85 Å²	85	77.3 Å²	77.3	40%	0.397	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-92.5	-13.5	176.4	-64.7	163.2	165.4	0	0	111.4	S93 I94 K107 A108	S93-E110 CarbonylContact C-O 3.27Å; S93-E110 VanDerWaalsContact C-O 3.27Å; S93-E110 WeakPolarHBondContact CB-O 3.41Å; S93-E110 PolarHBondContact OG-O 3.26Å; I94-E110 PolarHBondContact N-O 3.34Å; K107-E110 HydrophobicContact CB-CG 4.15Å; K107-E110 PolarHBondContact N-OE2 3.21Å; K107-E110 WeakPolarHBondContact O-CB 3.34Å; K107-E110 PolarHBondContact O-N 2.86Å; A108-E110 VanDerWaalsContact C-N 3.3Å; A108-E110 PolarHBondContact O-N 3.4Å
111	R	94.3	Very high	90.4	Very high	33 Å²	33	70.5 Å²	70.5	13%	0.125	36%	0.362	C	S	.	.	S	Bend	trans	-89.1	179.9	179.2	-59.4	-177.7	87.5	-159	1	111.7	S93 H96 D97 G99 D100 E106 K107 A108 L113	S93-R111 VanDerWaalsContact O-CA 3.28Å; S93-R111 WeakPolarHBondContact O-CA 3.3Å; H96-R111 HydrophobicContact CB-CG 4.38Å; D97-R111 PolarHBondContact O-NE 3.46Å; D97-R111 PolarHBondContact O-NH1 2.91Å; D97-R111 PolarHBondContact O-NH2 3.49Å; G99-R111 VanDerWaalsContact O-CD 3.3Å; G99-R111 WeakPolarHBondContact O-CD 3.37Å; G99-R111 PolarHBondContact O-NH1 3.23Å; D100-R111 PolarHBondContact O-NH1 3.49Å; E106-R111 HydrophobicContact CB-CG 4.23Å; E106-R111 IonicContact OE2-NE 2.74Å; E106-R111 PolarHBondContact OE2-NE 3.2Å; K107-R111 PolarHBondContact O-N 2.81Å; A108-R111 PolarHBondContact O-N 3.17Å; R111-L113 PolarHBondContact O-N 3.25Å
112	W	97.2	Very high	90.8	Very high	1 Å²	1	69 Å²	69	0%	0.004	36%	0.355	C	S	.	.			trans	-57.4	133.3	-178.7	-179.8	-105.8	0	0	0	112.5	Y66 P67 P70 I94 H96 H116 I121	Y66-W112 HydrophobicContact CD2-CH2 4.48Å; Y66-W112 HydrophobicContact CD2-CZ2 4.04Å; Y66-W112 AromaticContact CE2-CH2 3.55Å; Y66-W112 HydrophobicContact CE2-CH2 3.55Å; Y66-W112 AromaticContact CE2-CZ2 3.44Å; Y66-W112 HydrophobicContact CE2-CZ2 3.44Å; Y66-W112 VanDerWaalsContact CE2-CZ2 3.44Å; P67-W112 HydrophobicContact CB-CZ2 4.16Å; P67-W112 PolarHBondContact O-NE1 3.26Å; P70-W112 HydrophobicContact CB-CB 3.94Å; P70-W112 HydrophobicContact CB-CD2 3.59Å; P70-W112 HydrophobicContact CB-CE3 3.79Å; P70-W112 HydrophobicContact CB-CG 3.67Å; P70-W112 HydrophobicContact CG-CB 3.96Å; P70-W112 HydrophobicContact CG-CD2 4.44Å; P70-W112 HydrophobicContact CG-CG 4Å; I94-W112 HydrophobicContact CG1-CE3 4.46Å; I94-W112 VanDerWaalsContact O-CE3 3.29Å; H96-W112 WeakPolarHBondContact O-CB 3.27Å; H96-W112 PolarHBondContact O-N 3.09Å; W112-H116 HydrophobicContact CE3-CB 3.8Å; W112-H116 HydrophobicContact CH2-CB 3.72Å; W112-H116 VanDerWaalsContact CH2-O 3.27Å; W112-H116 WeakPolarHBondContact CH2-O 3.38Å; W112-H116 HydrophobicContact CZ3-CB 3.31Å; W112-I121 HydrophobicContact CH2-CD1 4.3Å; W112-I121 HydrophobicContact CZ3-CD1 3.79Å; W112-I121 HydrophobicContact CZ3-CG1 4.07Å
113	L	96.4	Very high	91.3	Very high	66 Å²	66	64.3 Å²	64.3	35%	0.346	34%	0.338	S	S	.	.			trans	-129.1	141	173.1	-63.8	175.5	0	0	0	108	R111 I115 H116	R111-L113 PolarHBondContact O-N 3.25Å; L113-I115 HydrophobicContact CB-CG2 3.92Å; L113-I115 PolarHBondContact O-N 2.78Å; L113-H116 PolarHBondContact N-CD2 3.06Å; L113-H116 WeakPolarHBondContact O-CB 3.41Å; L113-H116 PolarHBondContact O-N 3.11Å
114	P	95	Very high	91.8	Very high	72 Å²	72	58.2 Å²	58.2	47%	0.468	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-8.8	-179.8	-27.2	35.7	0	0	0	116.1	P67	P67-P114 HydrophobicContact CB-CB 4.27Å; P67-P114 HydrophobicContact CG-CB 4.11Å; P67-P114 WeakPolarHBondContact O-CA 3.35Å
115	I	95.1	Very high	92.5	Very high	140 Å²	140	55.3 Å²	55.3	72%	0.718	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.3	174	-166.6	165.8	0	0	0	112.8	L113	L113-I115 HydrophobicContact CB-CG2 3.92Å; L113-I115 PolarHBondContact O-N 2.78Å
116	H	95.9	Very high	93.1	Very high	42 Å²	42	49.8 Å²	49.8	19%	0.194	27%	0.269	C	S	.	.			trans	-67.8	138.1	178.5	-70.1	-49.9	0	0	0	111.3	Y66 I94 W112 L113 S120	Y66-H116 PolarHBondContact OH-O 3.01Å; I94-H116 HydrophobicContact CD1-CB 4.27Å; I94-H116 HydrophobicContact CG1-CB 4.47Å; W112-H116 HydrophobicContact CE3-CB 3.8Å; W112-H116 HydrophobicContact CH2-CB 3.72Å; W112-H116 VanDerWaalsContact CH2-O 3.27Å; W112-H116 WeakPolarHBondContact CH2-O 3.38Å; W112-H116 HydrophobicContact CZ3-CB 3.31Å; L113-H116 PolarHBondContact N-CD2 3.06Å; L113-H116 WeakPolarHBondContact O-CB 3.41Å; L113-H116 PolarHBondContact O-N 3.11Å; H116-S120 WeakPolarHBondContact CA-OG 3.42Å; H116-S120 WeakPolarHBondContact CB-OG 3.34Å
117	T	94	Very high	93.5	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	29%	0.286	S	S	.	.			trans	-109.2	167.8	179.2	62.1	0	0	0	0	110.4	Q14 E119 S120 I121	Q14-T117 VanDerWaalsContact OE1-CA 3.3Å; T117-E119 PolarHBondContact O-N 3.49Å; T117-S120 PolarHBondContact N-OG 2.83Å; T117-S120 PolarHBondContact O-N 3.27Å; T117-S120 VanDerWaalsContact O-N 3.12Å; T117-S120 PolarHBondContact O-OG 2.85Å; T117-S120 PolarHBondContact OG1-N 2.95Å; T117-S120 VanDerWaalsContact OG1-N 3.16Å; T117-I121 WeakPolarHBondContact O-CG1 3.43Å; T117-I121 PolarHBondContact O-N 3.39Å; T117-I121 VanDerWaalsContact O-N 3.09Å
118	V	93.9	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-52.6	-44.5	169.5	179.7	0	0	0	0	111.1	W39 L60 F62 S120 I121 L122	W39-V118 HydrophobicContact CE3-CG1 4.16Å; W39-V118 HydrophobicContact CE3-CG2 4.42Å; W39-V118 HydrophobicContact CH2-CG2 3.93Å; W39-V118 HydrophobicContact CZ2-CG2 4.47Å; W39-V118 HydrophobicContact CZ3-CB 4.19Å; W39-V118 HydrophobicContact CZ3-CG1 3.88Å; W39-V118 HydrophobicContact CZ3-CG2 3.93Å; L60-V118 HydrophobicContact CD1-CG1 3.82Å; F62-V118 HydrophobicContact CE1-CG2 3.83Å; F62-V118 HydrophobicContact CZ-CG2 3.49Å; F62-V118 VanDerWaalsContact CZ-CG2 3.49Å; V118-S120 PolarHBondContact O-N 3.01Å; V118-I121 WeakPolarHBondContact O-CB 3.48Å; V118-I121 PolarHBondContact O-N 3.35Å; V118-L122 HydrophobicContact CG1-CD1 3.9Å; V118-L122 HydrophobicContact CG1-CG 4.28Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 2.89Å
119	E	92.6	Very high	94.3	Very high	89 Å²	89	43.9 Å²	43.9	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-56.2	-48.5	175.7	176.2	-179.8	-171.9	0	0	112.1	V23 F26 T117 I121 L122 L123	V23-E119 HydrophobicContact CG2-CG 4.14Å; F26-E119 HydrophobicContact CZ-CB 4.45Å; F26-E119 HydrophobicContact CZ-CG 4.3Å; T117-E119 PolarHBondContact O-N 3.49Å; E119-I121 VanDerWaalsContact C-N 3.29Å; E119-I121 PolarHBondContact O-N 2.87Å; E119-L122 PolarHBondContact O-N 3.05Å; E119-L123 HydrophobicContact CG-CD1 4.05Å; E119-L123 HydrophobicContact CG-CG 4.47Å; E119-L123 WeakPolarHBondContact O-CG 3.13Å; E119-L123 PolarHBondContact O-N 2.88Å
120	S	94	Very high	94.4	Very high	27 Å²	27	42.3 Å²	42.3	19%	0.189	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-35.1	179.2	65.9	0	0	0	0	113	H116 T117 V118 S124	H116-S120 WeakPolarHBondContact CA-OG 3.42Å; H116-S120 WeakPolarHBondContact CB-OG 3.34Å; T117-S120 PolarHBondContact N-OG 2.83Å; T117-S120 PolarHBondContact O-N 3.27Å; T117-S120 VanDerWaalsContact O-N 3.12Å; T117-S120 PolarHBondContact O-OG 2.85Å; T117-S120 PolarHBondContact OG1-N 2.95Å; T117-S120 VanDerWaalsContact OG1-N 3.16Å; V118-S120 PolarHBondContact O-N 3.01Å; S120-S124 PolarHBondContact O-N 3.33Å; S120-S124 VanDerWaalsContact O-N 3.09Å; S120-S124 PolarHBondContact O-OG 2.89Å; S120-S124 VanDerWaalsContact O-OG 3.08Å
121	I	95.5	Very high	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-48.7	174	-65.4	166	0	0	0	110.2	L60 P71 M73 I94 L95 W112 T117 V118 E119 L123 S124 V125	L60-I121 HydrophobicContact CD2-CG2 4.44Å; P71-I121 HydrophobicContact CG-CD1 3.44Å; P71-I121 VanDerWaalsContact CG-CD1 3.44Å; M73-I121 HydrophobicContact SD-CG2 4.5Å; I94-I121 HydrophobicContact CD1-CG1 4.32Å; L95-I121 HydrophobicContact CD2-CD1 4.03Å; L95-I121 HydrophobicContact CD2-CG1 4.13Å; L95-I121 HydrophobicContact CD2-CG2 3.83Å; L95-I121 HydrophobicContact CG-CG2 4.47Å; W112-I121 HydrophobicContact CH2-CD1 4.3Å; W112-I121 HydrophobicContact CZ3-CD1 3.79Å; W112-I121 HydrophobicContact CZ3-CG1 4.07Å; T117-I121 WeakPolarHBondContact O-CG1 3.43Å; T117-I121 PolarHBondContact O-N 3.39Å; T117-I121 VanDerWaalsContact O-N 3.09Å; V118-I121 WeakPolarHBondContact O-CB 3.48Å; V118-I121 PolarHBondContact O-N 3.35Å; E119-I121 VanDerWaalsContact C-N 3.29Å; E119-I121 PolarHBondContact O-N 2.87Å; I121-L123 PolarHBondContact O-N 3.14Å; I121-S124 WeakPolarHBondContact O-CB 3.28Å; I121-S124 PolarHBondContact O-N 3.36Å; I121-S124 VanDerWaalsContact O-N 3.17Å; I121-V125 HydrophobicContact CG2-CG2 4.49Å; I121-V125 WeakPolarHBondContact O-CG2 3.08Å; I121-V125 PolarHBondContact O-N 2.84Å
122	L	94.8	Very high	94.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-36.4	-175.8	-64	179.8	0	0	0	112.1	F26 V41 L60 M73 V118 E119 S124 V125 I126	F26-L122 HydrophobicContact CB-CD1 4.33Å; F26-L122 HydrophobicContact CD1-CB 3.71Å; F26-L122 HydrophobicContact CD1-CD1 4.14Å; F26-L122 HydrophobicContact CD2-CB 4.42Å; F26-L122 HydrophobicContact CD2-CD1 3.31Å; F26-L122 HydrophobicContact CD2-CG 4.48Å; F26-L122 HydrophobicContact CE1-CB 3.65Å; F26-L122 HydrophobicContact CE1-CD1 4.23Å; F26-L122 HydrophobicContact CE2-CB 4.4Å; F26-L122 HydrophobicContact CE2-CD1 3.44Å; F26-L122 VanDerWaalsContact CE2-CD1 3.44Å; F26-L122 HydrophobicContact CG-CB 4.08Å; F26-L122 HydrophobicContact CG-CD1 3.68Å; F26-L122 HydrophobicContact CG-CG 4.48Å; F26-L122 HydrophobicContact CZ-CB 4.01Å; F26-L122 HydrophobicContact CZ-CD1 3.89Å; V41-L122 HydrophobicContact CB-CD2 4.49Å; V41-L122 HydrophobicContact CG1-CD1 3.65Å; V41-L122 HydrophobicContact CG1-CD2 3.72Å; V41-L122 HydrophobicContact CG1-CG 4.35Å; V41-L122 HydrophobicContact CG2-CD1 4.35Å; V41-L122 HydrophobicContact CG2-CD2 4.4Å; L60-L122 HydrophobicContact CD1-CD2 4.34Å; M73-L122 HydrophobicContact CE-CD2 4.06Å; M73-L122 HydrophobicContact SD-CD2 4.35Å; V118-L122 HydrophobicContact CG1-CD1 3.9Å; V118-L122 HydrophobicContact CG1-CG 4.28Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 2.89Å; E119-L122 PolarHBondContact O-N 3.05Å; L122-S124 VanDerWaalsContact C-N 3.35Å; L122-V125 PolarHBondContact O-N 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.3Å; L122-I126 PolarHBondContact O-N 2.96Å
123	L	93.1	Very high	94.1	Very high	82 Å²	82	45.8 Å²	45.8	43%	0.429	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-42.7	170.3	-70.5	173	0	0	0	111.7	V23 E119 I121 V125 I126 S127	V23-L123 HydrophobicContact CG1-CD2 4.22Å; E119-L123 HydrophobicContact CG-CD1 4.05Å; E119-L123 HydrophobicContact CG-CG 4.47Å; E119-L123 WeakPolarHBondContact O-CG 3.13Å; E119-L123 PolarHBondContact O-N 2.88Å; I121-L123 PolarHBondContact O-N 3.14Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 3.29Å; L123-I126 PolarHBondContact O-N 2.99Å; L123-S127 PolarHBondContact O-N 2.87Å
124	S	94.6	Very high	93.2	Very high	36 Å²	36	46.1 Å²	46.1	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-37.4	174.5	-63	0	0	0	0	112.4	S120 I121 L122 S127 L128	S120-S124 PolarHBondContact O-N 3.33Å; S120-S124 VanDerWaalsContact O-N 3.09Å; S120-S124 PolarHBondContact O-OG 2.89Å; S120-S124 VanDerWaalsContact O-OG 3.08Å; I121-S124 WeakPolarHBondContact O-CB 3.28Å; I121-S124 PolarHBondContact O-N 3.36Å; I121-S124 VanDerWaalsContact O-N 3.17Å; L122-S124 VanDerWaalsContact C-N 3.35Å; S124-S127 PolarHBondContact O-N 3.35Å; S124-L128 WeakPolarHBondContact O-CB 3.38Å; S124-L128 PolarHBondContact O-N 2.91Å
125	V	95.8	Very high	92.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-42	175.5	174.3	0	0	0	0	111.9	M73 F75 V90 I121 L122 L123 S127 L128 L129	M73-V125 HydrophobicContact CE-CG1 4.08Å; M73-V125 HydrophobicContact CE-CG2 4.18Å; M73-V125 HydrophobicContact SD-CB 4.49Å; M73-V125 HydrophobicContact SD-CG1 4.48Å; M73-V125 HydrophobicContact SD-CG2 3.55Å; M73-V125 VanDerWaalsContact SD-CG2 3.55Å; F75-V125 HydrophobicContact CE2-CG1 4.27Å; F75-V125 HydrophobicContact CZ-CG1 3.93Å; V90-V125 HydrophobicContact CG1-CG2 4.38Å; I121-V125 HydrophobicContact CG2-CG2 4.49Å; I121-V125 WeakPolarHBondContact O-CG2 3.08Å; I121-V125 PolarHBondContact O-N 2.84Å; L122-V125 PolarHBondContact O-N 3.31Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 3.29Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.34Å; V125-L128 WeakPolarHBondContact O-CB 3.35Å; V125-L128 PolarHBondContact O-N 2.94Å; V125-L128 VanDerWaalsContact O-N 3.14Å; V125-L129 WeakPolarHBondContact O-CG 3.47Å; V125-L129 PolarHBondContact O-N 2.74Å
126	I	94.1	Very high	91.9	Very high	32 Å²	32	45.2 Å²	45.2	16%	0.164	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-45.1	174.4	-74.1	171.3	0	0	0	110.3	F26 V43 P46 L122 L123 L128 L129 A130	F26-I126 HydrophobicContact CD1-CD1 3.89Å; V43-I126 HydrophobicContact CG1-CG1 4.08Å; P46-I126 HydrophobicContact CB-CG2 4.4Å; P46-I126 HydrophobicContact CG-CG2 3.95Å; L122-I126 WeakPolarHBondContact O-CG1 3.3Å; L122-I126 PolarHBondContact O-N 2.96Å; L123-I126 PolarHBondContact O-N 2.99Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 2.77Å; I126-L129 PolarHBondContact O-N 3.25Å; I126-A130 PolarHBondContact O-N 2.96Å
127	S	94.1	Very high	91.7	Very high	75 Å²	75	45 Å²	45	52%	0.524	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-39.8	174.7	-171.2	0	0	0	0	112	L123 S124 V125 L129 A130 D131	L123-S127 PolarHBondContact O-N 2.87Å; S124-S127 PolarHBondContact O-N 3.35Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.34Å; S127-L129 PolarHBondContact O-N 3.01Å; S127-A130 PolarHBondContact O-N 3.39Å; S127-D131 PolarHBondContact O-N 3.43Å
128	L	94.8	Very high	91.8	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-38.4	179.8	-169.1	68.3	0	0	0	112.1	H81 N83 V90 I92 S124 V125 I126 A130 D131 N133	H81-L128 PolarHBondContact NE2-O 3.15Å; N83-L128 HydrophobicContact CB-CD1 4.12Å; N83-L128 HydrophobicContact CB-CD2 3.71Å; N83-L128 HydrophobicContact CB-CG 4.17Å; V90-L128 HydrophobicContact CG1-CD2 4.14Å; I92-L128 HydrophobicContact CB-CD2 4.13Å; I92-L128 HydrophobicContact CD1-CB 4.16Å; I92-L128 HydrophobicContact CD1-CD1 4.16Å; I92-L128 HydrophobicContact CD1-CD2 4.09Å; I92-L128 HydrophobicContact CD1-CG 4.37Å; S124-L128 WeakPolarHBondContact O-CB 3.38Å; S124-L128 PolarHBondContact O-N 2.91Å; V125-L128 WeakPolarHBondContact O-CB 3.35Å; V125-L128 PolarHBondContact O-N 2.94Å; V125-L128 VanDerWaalsContact O-N 3.14Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 2.77Å; L128-A130 PolarHBondContact O-N 3.06Å; L128-D131 CarbonylContact O-C 3.29Å; L128-D131 VanDerWaalsContact O-C 3.29Å; L128-D131 PolarHBondContact O-N 2.89Å; L128-N133 HydrophobicContact CD1-CB 4.38Å
129	L	95.4	Very high	91.9	Very high	2 Å²	2	45 Å²	45	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-32.1	175.3	-67.4	179.6	0	0	0	112.2	V43 P46 Y51 L79 V125 I126 S127	V43-L129 HydrophobicContact CG1-CD1 4.01Å; P46-L129 HydrophobicContact CG-CB 4.07Å; P46-L129 HydrophobicContact CG-CD1 4.42Å; Y51-L129 HydrophobicContact CD1-CD2 4.37Å; Y51-L129 HydrophobicContact CD2-CB 4.02Å; Y51-L129 HydrophobicContact CD2-CD2 4.39Å; Y51-L129 VanDerWaalsContact CD2-O 3.24Å; Y51-L129 WeakPolarHBondContact CD2-O 3.48Å; Y51-L129 HydrophobicContact CE1-CD2 4.34Å; Y51-L129 HydrophobicContact CE2-CB 4.38Å; Y51-L129 HydrophobicContact CE2-CD2 4.36Å; Y51-L129 WeakPolarHBondContact CE2-O 3.25Å; Y51-L129 HydrophobicContact CG-CB 4.5Å; Y51-L129 HydrophobicContact CG-CD2 4.41Å; L79-L129 HydrophobicContact CD2-CD2 4.06Å; V125-L129 WeakPolarHBondContact O-CG 3.47Å; V125-L129 PolarHBondContact O-N 2.74Å; I126-L129 PolarHBondContact O-N 3.25Å; S127-L129 PolarHBondContact O-N 3.01Å
130	A	92.7	Very high	92.1	Very high	48 Å²	48	45.4 Å²	45.4	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-78.8	-42	177.1	0	0	0	0	0	112.2	T49 I126 S127 L128	T49-A130 HydrophobicContact CG2-CB 3.73Å; I126-A130 PolarHBondContact O-N 2.96Å; S127-A130 PolarHBondContact O-N 3.39Å; L128-A130 PolarHBondContact O-N 3.06Å
131	D	93.5	Very high	92.2	Very high	118 Å²	118	48.4 Å²	48.4	63%	0.631	28%	0.284	S	S	*	.	S	Bend	trans	-133.6	89.9	-176.3	-168.1	27.8	0	0	0	111	S127 L128	S127-D131 PolarHBondContact O-N 3.43Å; L128-D131 CarbonylContact O-C 3.29Å; L128-D131 VanDerWaalsContact O-C 3.29Å; L128-D131 PolarHBondContact O-N 2.89Å
132	P	92.8	Very high	92.3	Very high	7 Å²	7	48.4 Å²	48.4	5%	0.045	28%	0.284	C	S	.	.			trans	-62.9	137.6	-179.8	-22.9	33.4	0	0	0	112.8	P82 D134 W146	P82-P132 HydrophobicContact CB-CB 4.05Å; P82-P132 HydrophobicContact CG-CB 3.65Å; P82-P132 HydrophobicContact CG-CG 4.17Å; P132-D134 PolarHBondContact O-N 3.28Å; P132-W146 VanDerWaalsContact CD-CZ2 3.49Å; P132-W146 HydrophobicContact CG-CD2 4.07Å; P132-W146 HydrophobicContact CG-CE3 4.1Å; P132-W146 HydrophobicContact CG-CH2 4.05Å; P132-W146 HydrophobicContact CG-CZ2 4.04Å; P132-W146 HydrophobicContact CG-CZ3 4.05Å
133	N	87.2	Confident	92.4	Very high	67 Å²	67	48.4 Å²	48.4	36%	0.358	28%	0.284	S	S	.	.			trans	-79.5	112.3	171.7	-178.5	-14	0	0	0	110.2	N83 L128 Q135	N83-N133 PolarHBondContact ND2-O 3.27Å; N83-N133 PolarHBondContact OD1-N 3.09Å; N83-N133 PolarHBondContact OD1-O 3.45Å; L128-N133 HydrophobicContact CD1-CB 4.38Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.4Å; N133-Q135 PolarHBondContact OD1-N 3.42Å
134	D	78.5	Confident	92.5	Very high	74 Å²	74	49.8 Å²	49.8	40%	0.396	29%	0.287	S	S	.	.			trans	-91.7	-5.1	-174.7	77.2	-23.5	0	0	0	115.1	P132	P132-D134 PolarHBondContact O-N 3.28Å
135	Q	78.9	Confident	92.6	Very high	137 Å²	137	49.5 Å²	49.5	64%	0.64	28%	0.282	S	S	*	.	S	Bend	trans	-71.8	-39	-177.5	-61.3	-170.7	3.8	0	0	112.4	N133	N133-Q135 WeakPolarHBondContact OD1-CB 3.4Å; N133-Q135 PolarHBondContact OD1-N 3.42Å
136	S	83.6	Confident	92.6	Very high	55 Å²	55	52.1 Å²	52.1	39%	0.385	29%	0.291	S	S	.	.	S	Bend	trans	-137.3	70.2	-177.1	-67.2	0	0	0	0	111.2
137	P	92.7	Very high	92.6	Very high	37 Å²	37	56.1 Å²	56.1	24%	0.24	31%	0.305	C	S	.	.			trans	-73.9	135.8	-175.2	30.4	-34.8	0	0	0	112.1	P82 N139 A143	P82-P137 HydrophobicContact CB-CB 4.41Å; P82-P137 CarbonylContact O-C 3.45Å; P82-P137 WeakPolarHBondContact O-CA 3.44Å; P82-P137 WeakPolarHBondContact O-CB 3.42Å; P137-N139 VanDerWaalsContact C-N 3.35Å; P137-A143 HydrophobicContact CB-CB 3.49Å; P137-A143 VanDerWaalsContact CB-CB 3.49Å; P137-A143 HydrophobicContact CG-CB 3.79Å
138	A	95.3	Very high	92.7	Very high	40 Å²	40	59 Å²	59	33%	0.331	31%	0.31	S	S	.	.	S	Bend	trans	-73.6	-29.4	169.5	0	0	0	0	0	112	P82 D85 C91	P82-A138 PolarHBondContact O-N 3.06Å; D85-A138 HydrophobicContact CB-CB 4.22Å; C91-A138 HydrophobicContact CB-CB 3.88Å
139	N	96.9	Very high	92.8	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.043	33%	0.328	C	S	.	.			trans	-121.6	96.7	176.9	-178.6	-14.3	0	0	0	110.2	W80 H81 P82 I84 P137 D141 A142 A143	W80-N139 WeakPolarHBondContact CZ3-ND2 3.45Å; H81-N139 WeakPolarHBondContact O-CB 3.4Å; P82-N139 PolarHBondContact O-N 2.97Å; I84-N139 VanDerWaalsContact O-CB 3.22Å; I84-N139 WeakPolarHBondContact O-CB 3.36Å; P137-N139 VanDerWaalsContact C-N 3.35Å; N139-D141 VanDerWaalsContact C-N 3.27Å; N139-D141 PolarHBondContact O-N 3.36Å; N139-D141 PolarHBondContact OD1-N 3.05Å; N139-A142 HydrophobicContact CB-CB 4.01Å; N139-A142 VanDerWaalsContact CG-CB 3.47Å; N139-A142 PolarHBondContact O-N 3.46Å; N139-A142 PolarHBondContact OD1-N 3Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.46Å
140	V	95.9	Very high	92.8	Very high	97 Å²	97	66.7 Å²	66.7	59%	0.588	35%	0.345	S	S	*	.	H	α-helix	trans	-63.5	-33.9	-175.7	-159.7	0	0	0	0	111.9	A143 K144	V140-A143 PolarHBondContact O-N 3.5Å; V140-K144 WeakPolarHBondContact O-CB 3.34Å; V140-K144 PolarHBondContact O-N 3.33Å
141	D	96.2	Very high	93	Very high	89 Å²	89	71 Å²	71	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-44.7	178.1	-67.1	-40.5	0	0	0	111.1	W80 N139 K144 Q145	W80-D141 HydrophobicContact CH2-CB 3.68Å; W80-D141 HydrophobicContact CZ2-CB 3.92Å; N139-D141 VanDerWaalsContact C-N 3.27Å; N139-D141 PolarHBondContact O-N 3.36Å; N139-D141 PolarHBondContact OD1-N 3.05Å; D141-K144 PolarHBondContact O-N 2.9Å; D141-Q145 WeakPolarHBondContact O-CG 3.44Å; D141-Q145 PolarHBondContact O-N 3.14Å
142	A	97.1	Very high	93.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-43.1	175.5	0	0	0	0	0	111	W80 P82 N139 K144 Q145 W146 F153	W80-A142 HydrophobicContact CD2-CB 4.08Å; W80-A142 HydrophobicContact CG-CB 4.45Å; W80-A142 HydrophobicContact CH2-CB 4.47Å; W80-A142 HydrophobicContact CZ2-CB 3.87Å; P82-A142 HydrophobicContact CG-CB 4.48Å; N139-A142 HydrophobicContact CB-CB 4.01Å; N139-A142 VanDerWaalsContact CG-CB 3.47Å; N139-A142 PolarHBondContact O-N 3.46Å; N139-A142 PolarHBondContact OD1-N 3Å; A142-K144 PolarHBondContact O-N 3.17Å; A142-Q145 PolarHBondContact O-N 3.23Å; A142-W146 WeakPolarHBondContact O-CB 3.46Å; A142-W146 PolarHBondContact O-N 2.94Å; A142-F153 HydrophobicContact CB-CE2 4.35Å
143	A	96.4	Very high	93.5	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-41.7	175.7	0	0	0	0	0	112.8	P82 P137 N139 V140 W146 R147	P82-A143 HydrophobicContact CB-CB 3.98Å; P82-A143 HydrophobicContact CG-CB 4.46Å; P137-A143 HydrophobicContact CB-CB 3.49Å; P137-A143 VanDerWaalsContact CB-CB 3.49Å; P137-A143 HydrophobicContact CG-CB 3.79Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.46Å; V140-A143 PolarHBondContact O-N 3.5Å; A143-W146 PolarHBondContact O-N 2.91Å; A143-R147 PolarHBondContact O-N 3.43Å; A143-R147 VanDerWaalsContact O-N 3.13Å
144	K	95.8	Very high	94	Very high	111 Å²	111	68.2 Å²	68.2	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-46.2	175.6	-173.8	178.7	-177.9	178	0	111.2	V140 D141 A142 R147 E148	V140-K144 WeakPolarHBondContact O-CB 3.34Å; V140-K144 PolarHBondContact O-N 3.33Å; D141-K144 PolarHBondContact O-N 2.9Å; A142-K144 PolarHBondContact O-N 3.17Å; K144-R147 PolarHBondContact O-N 3.09Å; K144-E148 WeakPolarHBondContact CE-OE2 3.46Å; K144-E148 HydrophobicContact CG-CG 4.42Å; K144-E148 IonicContact NZ-OE2 3.11Å; K144-E148 WeakPolarHBondContact O-CB 3.48Å; K144-E148 PolarHBondContact O-N 3.5Å
145	Q	96.4	Very high	94.9	Very high	30 Å²	30	70.3 Å²	70.3	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-40.8	177.4	-70.3	178.4	-1.7	0	0	112	D141 A142 R147 N149 Y150 F153 R156	D141-Q145 WeakPolarHBondContact O-CG 3.44Å; D141-Q145 PolarHBondContact O-N 3.14Å; A142-Q145 PolarHBondContact O-N 3.23Å; Q145-R147 VanDerWaalsContact C-N 3.3Å; Q145-R147 PolarHBondContact O-N 3.17Å; Q145-N149 CarbonylContact O-C 2.81Å; Q145-N149 VanDerWaalsContact O-CA 3.32Å; Q145-N149 WeakPolarHBondContact O-CA 3.48Å; Q145-N149 PolarHBondContact O-N 3.33Å; Q145-Y150 PolarHBondContact O-N 2.92Å; Q145-Y150 VanDerWaalsContact O-N 3.1Å; Q145-F153 HydrophobicContact CB-CB 3.95Å; Q145-F153 HydrophobicContact CB-CD2 4.22Å; Q145-R156 VanDerWaalsContact NE2-CZ 3.35Å
146	W	95.5	Very high	95.8	Very high	56 Å²	56	68 Å²	68	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-53.4	-47.6	174.5	174	-102.2	0	0	0	111.8	P82 P132 A142 A143 Y150 F153	P82-W146 HydrophobicContact CG-CB 4.17Å; P82-W146 HydrophobicContact CG-CG 4.45Å; P132-W146 VanDerWaalsContact CD-CZ2 3.49Å; P132-W146 HydrophobicContact CG-CD2 4.07Å; P132-W146 HydrophobicContact CG-CE3 4.1Å; P132-W146 HydrophobicContact CG-CH2 4.05Å; P132-W146 HydrophobicContact CG-CZ2 4.04Å; P132-W146 HydrophobicContact CG-CZ3 4.05Å; A142-W146 WeakPolarHBondContact O-CB 3.46Å; A142-W146 PolarHBondContact O-N 2.94Å; A143-W146 PolarHBondContact O-N 2.91Å; W146-Y150 AromaticContact CE3-CD2 3.87Å; W146-Y150 HydrophobicContact CE3-CD2 3.87Å; W146-Y150 AromaticContact CE3-CE2 3.59Å; W146-Y150 HydrophobicContact CE3-CE2 3.59Å; W146-Y150 HydrophobicContact CH2-CE2 4.08Å; W146-Y150 HydrophobicContact CZ3-CD2 4.09Å; W146-Y150 AromaticContact CZ3-CE2 3.34Å; W146-Y150 HydrophobicContact CZ3-CE2 3.34Å; W146-F153 HydrophobicContact CB-CD2 4.17Å; W146-F153 HydrophobicContact CB-CE2 4.28Å; W146-F153 AromaticContact CE3-CD1 3.82Å; W146-F153 HydrophobicContact CE3-CD1 3.82Å; W146-F153 AromaticContact CE3-CE1 3.49Å; W146-F153 HydrophobicContact CE3-CE1 3.49Å; W146-F153 VanDerWaalsContact CE3-CE1 3.49Å; W146-F153 HydrophobicContact CE3-CE2 4.37Å; W146-F153 HydrophobicContact CE3-CG 4.38Å; W146-F153 AromaticContact CE3-CZ 3.79Å; W146-F153 HydrophobicContact CE3-CZ 3.79Å; W146-F153 HydrophobicContact CZ3-CD1 4.33Å; W146-F153 AromaticContact CZ3-CE1 3.84Å; W146-F153 HydrophobicContact CZ3-CE1 3.84Å; W146-F153 HydrophobicContact CZ3-CZ 4.38Å
147	R	94.1	Very high	96.5	Very high	117 Å²	117	65.4 Å²	65.4	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-76.9	-45.9	-178.7	-68.2	-171.8	-63.1	-101.4	-1.6	114.4	A143 K144 Q145	A143-R147 PolarHBondContact O-N 3.43Å; A143-R147 VanDerWaalsContact O-N 3.13Å; K144-R147 PolarHBondContact O-N 3.09Å; Q145-R147 VanDerWaalsContact C-N 3.3Å; Q145-R147 PolarHBondContact O-N 3.17Å
148	E	96.5	Very high	96.7	Very high	135 Å²	135	66.1 Å²	66.1	63%	0.631	32%	0.315	S	S	*	.	H	α-helix	trans	-104.7	-22.7	-165.3	-61.5	174.2	-158.6	0	0	113.2	K144	K144-E148 WeakPolarHBondContact CE-OE2 3.46Å; K144-E148 HydrophobicContact CG-CG 4.42Å; K144-E148 IonicContact NZ-OE2 3.11Å; K144-E148 WeakPolarHBondContact O-CB 3.48Å; K144-E148 PolarHBondContact O-N 3.5Å
149	N	96.7	Very high	96.8	Very high	83 Å²	83	68.3 Å²	68.3	44%	0.444	32%	0.316	S	S	.	.			trans	-149.3	65.6	-176.3	-168.2	-14.8	0	0	0	111.7	Q145 Q151 E152 F153	Q145-N149 CarbonylContact O-C 2.81Å; Q145-N149 VanDerWaalsContact O-CA 3.32Å; Q145-N149 WeakPolarHBondContact O-CA 3.48Å; Q145-N149 PolarHBondContact O-N 3.33Å; N149-Q151 PolarHBondContact O-N 3.16Å; N149-Q151 VanDerWaalsContact O-N 3.12Å; N149-E152 HydrophobicContact CB-CB 4.38Å; N149-E152 PolarHBondContact O-N 3.04Å; N149-E152 VanDerWaalsContact O-N 3.08Å; N149-E152 WeakPolarHBondContact OD1-CB 3.38Å; N149-E152 PolarHBondContact OD1-N 3.18Å; N149-E152 VanDerWaalsContact OD1-N 3.09Å; N149-F153 PolarHBondContact O-N 3.47Å
150	Y	96.3	Very high	96.9	Very high	91 Å²	91	68.2 Å²	68.2	36%	0.357	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-27.6	-176.3	-174.1	-125.8	0	0	0	112.9	P50 Q145 W146 F153 K154	P50-Y150 HydrophobicContact CG-CE2 4.19Å; P50-Y150 WeakPolarHBondContact CG-OH 3.11Å; Q145-Y150 PolarHBondContact O-N 2.92Å; Q145-Y150 VanDerWaalsContact O-N 3.1Å; W146-Y150 AromaticContact CE3-CD2 3.87Å; W146-Y150 HydrophobicContact CE3-CD2 3.87Å; W146-Y150 AromaticContact CE3-CE2 3.59Å; W146-Y150 HydrophobicContact CE3-CE2 3.59Å; W146-Y150 HydrophobicContact CH2-CE2 4.08Å; W146-Y150 HydrophobicContact CZ3-CD2 4.09Å; W146-Y150 AromaticContact CZ3-CE2 3.34Å; W146-Y150 HydrophobicContact CZ3-CE2 3.34Å; Y150-F153 HydrophobicContact CD2-CB 4.37Å; Y150-F153 HydrophobicContact CD2-CD1 4.04Å; Y150-F153 HydrophobicContact CD2-CG 4.5Å; Y150-F153 AromaticContact CE2-CD1 3.91Å; Y150-F153 HydrophobicContact CE2-CD1 3.91Å; Y150-F153 HydrophobicContact CE2-CE1 4.43Å; Y150-F153 WeakPolarHBondContact O-CB 3.36Å; Y150-F153 PolarHBondContact O-N 3.41Å; Y150-K154 HydrophobicContact CD1-CD 4.05Å; Y150-K154 HydrophobicContact CD1-CG 4.37Å; Y150-K154 HydrophobicContact CD2-CG 4.41Å; Y150-K154 HydrophobicContact CE1-CD 3.61Å; Y150-K154 HydrophobicContact CE1-CG 4.05Å; Y150-K154 HydrophobicContact CE2-CD 4.47Å; Y150-K154 HydrophobicContact CE2-CG 4.01Å; Y150-K154 WeakPolarHBondContact O-CB 3.26Å; Y150-K154 WeakPolarHBondContact O-CG 3.45Å; Y150-K154 PolarHBondContact O-N 3.34Å
151	Q	97.5	Very high	97	Very high	138 Å²	138	64.2 Å²	64.2	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-67.4	-44.4	175.9	-65.5	-59.5	-26.3	0	0	112.5	N149 F153 K154 R155	N149-Q151 PolarHBondContact O-N 3.16Å; N149-Q151 VanDerWaalsContact O-N 3.12Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-K154 PolarHBondContact O-N 2.84Å; Q151-R155 WeakPolarHBondContact O-CB 3.36Å; Q151-R155 PolarHBondContact O-N 2.87Å
152	E	97.7	Very high	97	Very high	43 Å²	43	66.6 Å²	66.6	20%	0.201	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-37.8	173.9	176.3	57.4	-163.9	0	0	111.3	N149 R155 R156	N149-E152 HydrophobicContact CB-CB 4.38Å; N149-E152 PolarHBondContact O-N 3.04Å; N149-E152 VanDerWaalsContact O-N 3.08Å; N149-E152 WeakPolarHBondContact OD1-CB 3.38Å; N149-E152 PolarHBondContact OD1-N 3.18Å; N149-E152 VanDerWaalsContact OD1-N 3.09Å; E152-R155 PolarHBondContact O-N 3.4Å; E152-R155 IonicContact OE1-CZ 3.39Å; E152-R155 IonicContact OE1-NE 3.78Å; E152-R155 IonicContact OE1-NH2 3.25Å; E152-R155 PolarHBondContact OE1-NH2 3.15Å; E152-R155 IonicContact OE2-CZ 3.14Å; E152-R155 IonicContact OE2-NE 2.78Å; E152-R155 PolarHBondContact OE2-NE 2.99Å; E152-R155 IonicContact OE2-NH2 3.59Å; E152-R155 PolarHBondContact OE2-NH2 3.03Å; E152-R156 PolarHBondContact O-N 3.33Å; E152-R156 IonicContact OE1-NE 3.99Å; E152-R156 PolarHBondContact OE1-NE 3.35Å; E152-R156 VanDerWaalsContact OE1-NE 3.14Å
153	F	97.5	Very high	97	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-55.3	-55.4	172.9	-178.9	-92.9	0	0	0	110.9	P50 Y51 W80 P82 A142 Q145 W146 N149 Y150 Q151 R155 R156 V157	P50-F153 HydrophobicContact CG-CE1 4.42Å; Y51-F153 VanDerWaalsContact OH-CZ 3.26Å; Y51-F153 WeakPolarHBondContact OH-CZ 3.23Å; W80-F153 AromaticContact CD1-CD2 3.79Å; W80-F153 AromaticContact CD1-CE2 3.85Å; W80-F153 AromaticContact NE1-CD2 3.84Å; P82-F153 HydrophobicContact CG-CE2 4.4Å; A142-F153 HydrophobicContact CB-CE2 4.35Å; Q145-F153 HydrophobicContact CB-CB 3.95Å; Q145-F153 HydrophobicContact CB-CD2 4.22Å; W146-F153 HydrophobicContact CB-CD2 4.17Å; W146-F153 HydrophobicContact CB-CE2 4.28Å; W146-F153 AromaticContact CE3-CD1 3.82Å; W146-F153 HydrophobicContact CE3-CD1 3.82Å; W146-F153 AromaticContact CE3-CE1 3.49Å; W146-F153 HydrophobicContact CE3-CE1 3.49Å; W146-F153 VanDerWaalsContact CE3-CE1 3.49Å; W146-F153 HydrophobicContact CE3-CE2 4.37Å; W146-F153 HydrophobicContact CE3-CG 4.38Å; W146-F153 AromaticContact CE3-CZ 3.79Å; W146-F153 HydrophobicContact CE3-CZ 3.79Å; W146-F153 HydrophobicContact CZ3-CD1 4.33Å; W146-F153 AromaticContact CZ3-CE1 3.84Å; W146-F153 HydrophobicContact CZ3-CE1 3.84Å; W146-F153 HydrophobicContact CZ3-CZ 4.38Å; N149-F153 PolarHBondContact O-N 3.47Å; Y150-F153 HydrophobicContact CD2-CB 4.37Å; Y150-F153 HydrophobicContact CD2-CD1 4.04Å; Y150-F153 HydrophobicContact CD2-CG 4.5Å; Y150-F153 AromaticContact CE2-CD1 3.91Å; Y150-F153 HydrophobicContact CE2-CD1 3.91Å; Y150-F153 HydrophobicContact CE2-CE1 4.43Å; Y150-F153 WeakPolarHBondContact O-CB 3.36Å; Y150-F153 PolarHBondContact O-N 3.41Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 3.16Å; F153-R156 PolarHBondContact O-N 3.39Å; F153-V157 HydrophobicContact CD1-CG2 4.01Å; F153-V157 HydrophobicContact CE1-CG2 3.61Å; F153-V157 HydrophobicContact CE2-CG2 4.41Å; F153-V157 HydrophobicContact CZ-CG2 3.85Å; F153-V157 WeakPolarHBondContact O-CG2 3.31Å; F153-V157 PolarHBondContact O-N 3.48Å
154	K	97.4	Very high	97	Very high	91 Å²	91	71.7 Å²	71.7	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-55.8	-41.5	177.1	-76.4	-173.5	66.7	168.9	0	112.2	P50 Y150 Q151 R156 V157 A158	P50-K154 HydrophobicContact CB-CG 4.28Å; P50-K154 HydrophobicContact CG-CG 4.11Å; Y150-K154 HydrophobicContact CD1-CD 4.05Å; Y150-K154 HydrophobicContact CD1-CG 4.37Å; Y150-K154 HydrophobicContact CD2-CG 4.41Å; Y150-K154 HydrophobicContact CE1-CD 3.61Å; Y150-K154 HydrophobicContact CE1-CG 4.05Å; Y150-K154 HydrophobicContact CE2-CD 4.47Å; Y150-K154 HydrophobicContact CE2-CG 4.01Å; Y150-K154 WeakPolarHBondContact O-CB 3.26Å; Y150-K154 WeakPolarHBondContact O-CG 3.45Å; Y150-K154 PolarHBondContact O-N 3.34Å; Q151-K154 PolarHBondContact O-N 2.84Å; K154-R156 VanDerWaalsContact C-N 3.32Å; K154-R156 PolarHBondContact O-N 3.48Å; K154-V157 PolarHBondContact O-N 3.13Å; K154-A158 VanDerWaalsContact O-CB 3.31Å; K154-A158 WeakPolarHBondContact O-CB 3.42Å; K154-A158 PolarHBondContact O-N 3.41Å
155	R	98	Very high	97	Very high	118 Å²	118	70.3 Å²	70.3	45%	0.445	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-37.4	178.5	-166.8	-167.7	70.2	103	0.7	112.3	Q151 E152 F153	Q151-R155 WeakPolarHBondContact O-CB 3.36Å; Q151-R155 PolarHBondContact O-N 2.87Å; E152-R155 PolarHBondContact O-N 3.4Å; E152-R155 IonicContact OE1-CZ 3.39Å; E152-R155 IonicContact OE1-NE 3.78Å; E152-R155 IonicContact OE1-NH2 3.25Å; E152-R155 PolarHBondContact OE1-NH2 3.15Å; E152-R155 IonicContact OE2-CZ 3.14Å; E152-R155 IonicContact OE2-NE 2.78Å; E152-R155 PolarHBondContact OE2-NE 2.99Å; E152-R155 IonicContact OE2-NH2 3.59Å; E152-R155 PolarHBondContact OE2-NH2 3.03Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 3.16Å
156	R	97.9	Very high	96.9	Very high	89 Å²	89	74.2 Å²	74.2	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-46.8	175.4	-71.2	-169.3	178.8	-152	-3.7	111.6	W80 Q145 E152 F153 K154 A158 K159 C160	W80-R156 HydrophobicContact CB-CB 4.44Å; W80-R156 HydrophobicContact CG-CB 3.98Å; W80-R156 VanDerWaalsContact CH2-NH1 3.3Å; W80-R156 VanDerWaalsContact CZ2-NH1 3.32Å; Q145-R156 VanDerWaalsContact NE2-CZ 3.35Å; E152-R156 PolarHBondContact O-N 3.33Å; E152-R156 IonicContact OE1-NE 3.99Å; E152-R156 PolarHBondContact OE1-NE 3.35Å; E152-R156 VanDerWaalsContact OE1-NE 3.14Å; F153-R156 PolarHBondContact O-N 3.39Å; K154-R156 VanDerWaalsContact C-N 3.32Å; K154-R156 PolarHBondContact O-N 3.48Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.45Å; R156-K159 WeakPolarHBondContact O-CB 3.29Å; R156-K159 PolarHBondContact O-N 2.85Å; R156-C160 PolarHBondContact O-N 2.85Å
157	V	98.1	Very high	96.7	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-42.4	177	178.5	0	0	0	0	111.3	P50 Y51 W80 F153 K154 K159 C160 V161	P50-V157 HydrophobicContact CB-CB 4.17Å; P50-V157 HydrophobicContact CB-CG1 3.91Å; P50-V157 VanDerWaalsContact O-CG1 3.23Å; P50-V157 WeakPolarHBondContact O-CG1 3.47Å; Y51-V157 HydrophobicContact CD1-CG1 3.33Å; Y51-V157 HydrophobicContact CE1-CB 4.3Å; Y51-V157 HydrophobicContact CE1-CG1 3.39Å; Y51-V157 HydrophobicContact CE1-CG2 3.86Å; Y51-V157 HydrophobicContact CG-CG1 3.93Å; W80-V157 HydrophobicContact CB-CG2 4.36Å; W80-V157 WeakPolarHBondContact O-CG2 3.43Å; F153-V157 HydrophobicContact CD1-CG2 4.01Å; F153-V157 HydrophobicContact CE1-CG2 3.61Å; F153-V157 HydrophobicContact CE2-CG2 4.41Å; F153-V157 HydrophobicContact CZ-CG2 3.85Å; F153-V157 WeakPolarHBondContact O-CG2 3.31Å; F153-V157 PolarHBondContact O-N 3.48Å; K154-V157 PolarHBondContact O-N 3.13Å; V157-K159 PolarHBondContact O-N 3.34Å; V157-K159 VanDerWaalsContact O-N 3.14Å; V157-C160 CarbonylContact O-C 3.51Å; V157-C160 WeakPolarHBondContact O-CA 2.88Å; V157-C160 VanDerWaalsContact O-CB 3.3Å; V157-C160 WeakPolarHBondContact O-CB 3.35Å; V157-C160 PolarHBondContact O-N 2.87Å; V157-V161 HydrophobicContact CG1-CG2 4.23Å; V157-V161 PolarHBondContact O-N 3.09Å
158	A	97.8	Very high	96.2	Very high	53 Å²	53	71.8 Å²	71.8	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-29.9	177.2	0	0	0	0	0	113.2	K154 R156 R162	K154-A158 VanDerWaalsContact O-CB 3.31Å; K154-A158 WeakPolarHBondContact O-CB 3.42Å; K154-A158 PolarHBondContact O-N 3.41Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.45Å; A158-R162 PolarHBondContact O-N 3Å; A158-R162 VanDerWaalsContact O-N 3.08Å
159	K	97.9	Very high	95.3	Very high	85 Å²	85	69.5 Å²	69.5	37%	0.37	35%	0.351	S	S	.	.	H	α-helix	trans	-71.4	-41.3	172.2	-66.3	175.1	-177.8	-178.4	0	111.7	R156 V157 R162 K163	R156-K159 WeakPolarHBondContact O-CB 3.29Å; R156-K159 PolarHBondContact O-N 2.85Å; V157-K159 PolarHBondContact O-N 3.34Å; V157-K159 VanDerWaalsContact O-N 3.14Å; K159-R162 PolarHBondContact O-N 3.29Å; K159-K163 WeakPolarHBondContact O-CB 3.42Å; K159-K163 WeakPolarHBondContact O-CG 3.32Å; K159-K163 PolarHBondContact O-N 2.72Å
160	C	97.6	Very high	93.5	Very high	6 Å²	6	75 Å²	75	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-60.6	-45.2	174.3	-61.8	0	0	0	0	111	E78 R156 V157 K163 S164	E78-C160 WeakPolarHBondContact O-CB 3.49Å; R156-C160 PolarHBondContact O-N 2.85Å; V157-C160 CarbonylContact O-C 3.51Å; V157-C160 WeakPolarHBondContact O-CA 2.88Å; V157-C160 VanDerWaalsContact O-CB 3.3Å; V157-C160 WeakPolarHBondContact O-CB 3.35Å; V157-C160 PolarHBondContact O-N 2.87Å; C160-K163 PolarHBondContact O-N 3.36Å; C160-S164 WeakPolarHBondContact O-CB 3.18Å; C160-S164 PolarHBondContact O-N 3.1Å; C160-S164 PolarHBondContact O-OG 3.08Å
161	V	98	Very high	93.3	Very high	14 Å²	14	74.2 Å²	74.2	9%	0.085	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-50.2	175.9	170.7	0	0	0	0	111.1	F56 V157 K163 S164 Q165	F56-V161 HydrophobicContact CZ-CG2 3.96Å; V157-V161 HydrophobicContact CG1-CG2 4.23Å; V157-V161 PolarHBondContact O-N 3.09Å; V161-K163 PolarHBondContact O-N 3.08Å; V161-S164 PolarHBondContact O-N 3.12Å; V161-S164 PolarHBondContact O-OG 3.4Å; V161-Q165 WeakPolarHBondContact O-CG 3.47Å; V161-Q165 PolarHBondContact O-N 3.19Å
162	R	97.5	Very high	93.1	Very high	139 Å²	139	70.8 Å²	70.8	53%	0.525	37%	0.368	S	S	.	.	H	α-helix	trans	-62.2	-44.9	179.9	-174.6	176.3	62.2	-130.7	-1.2	112.3	A158 K159 S164 Q165 E166	A158-R162 PolarHBondContact O-N 3Å; A158-R162 VanDerWaalsContact O-N 3.08Å; K159-R162 PolarHBondContact O-N 3.29Å; R162-S164 VanDerWaalsContact C-N 3.25Å; R162-S164 PolarHBondContact O-N 3.42Å; R162-Q165 PolarHBondContact O-N 3.36Å; R162-E166 WeakPolarHBondContact CG-OE1 3.2Å; R162-E166 IonicContact NE-OE1 3.01Å; R162-E166 WeakPolarHBondContact O-CG 3.24Å; R162-E166 PolarHBondContact O-N 3.42Å
163	K	96.8	Very high	92.9	Very high	104 Å²	104	72.3 Å²	72.3	45%	0.452	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-37.1	176.8	-75.2	-177.3	-179	-172.9	0	112.1	E78 K159 C160 V161 E166 A167	E78-K163 IonicContact OE2-NZ 2.67Å; E78-K163 PolarHBondContact OE2-NZ 3Å; K159-K163 WeakPolarHBondContact O-CB 3.42Å; K159-K163 WeakPolarHBondContact O-CG 3.32Å; K159-K163 PolarHBondContact O-N 2.72Å; C160-K163 PolarHBondContact O-N 3.36Å; V161-K163 PolarHBondContact O-N 3.08Å; K163-E166 PolarHBondContact O-N 2.95Å; K163-A167 PolarHBondContact O-N 3.47Å; K163-A167 VanDerWaalsContact O-N 3.09Å
164	S	96.7	Very high	92.6	Very high	2 Å²	2	76.6 Å²	76.6	1%	0.014	40%	0.4	C	S	.	.	H	α-helix	trans	-72.2	-33.3	-179.2	76.7	0	0	0	0	112.5	G54 F55 C160 V161 R162 A168	G54-S164 WeakPolarHBondContact CA-OG 3.42Å; F55-S164 PolarHBondContact N-OG 2.94Å; F55-S164 VanDerWaalsContact O-CB 3.3Å; F55-S164 WeakPolarHBondContact O-CB 3.49Å; C160-S164 WeakPolarHBondContact O-CB 3.18Å; C160-S164 PolarHBondContact O-N 3.1Å; C160-S164 PolarHBondContact O-OG 3.08Å; V161-S164 PolarHBondContact O-N 3.12Å; V161-S164 PolarHBondContact O-OG 3.4Å; R162-S164 VanDerWaalsContact C-N 3.25Å; R162-S164 PolarHBondContact O-N 3.42Å; S164-A168 WeakPolarHBondContact O-CB 3.39Å; S164-A168 PolarHBondContact O-N 3.16Å; S164-A168 VanDerWaalsContact O-N 3.15Å
165	Q	95.8	Very high	92.3	Very high	82 Å²	82	75.7 Å²	75.7	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-43.1	170.9	-69.2	169.5	-17.8	0	0	112.2	G53 F55 V161 R162 A168 A169	G53-Q165 WeakPolarHBondContact O-CG 3.35Å; G53-Q165 PolarHBondContact O-NE2 2.79Å; F55-Q165 HydrophobicContact CD2-CG 4.06Å; F55-Q165 HydrophobicContact CE2-CG 4.27Å; V161-Q165 WeakPolarHBondContact O-CG 3.47Å; V161-Q165 PolarHBondContact O-N 3.19Å; R162-Q165 PolarHBondContact O-N 3.36Å; Q165-A168 PolarHBondContact O-N 2.9Å; Q165-A169 PolarHBondContact O-N 2.8Å
166	E	94	Very high	91.9	Very high	112 Å²	112	72.9 Å²	72.9	52%	0.523	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-48.8	175.9	-71	165.1	-170.7	0	0	110.7	R162 K163 A168 A169	R162-E166 WeakPolarHBondContact CG-OE1 3.2Å; R162-E166 IonicContact NE-OE1 3.01Å; R162-E166 WeakPolarHBondContact O-CG 3.24Å; R162-E166 PolarHBondContact O-N 3.42Å; K163-E166 PolarHBondContact O-N 2.95Å; E166-A168 VanDerWaalsContact C-N 3.26Å; E166-A168 PolarHBondContact O-N 3.16Å; E166-A169 PolarHBondContact O-N 2.71Å
167	A	91.2	Very high	91.5	Very high	66 Å²	66	71.7 Å²	71.7	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-69.1	-18.7	179.9	0	0	0	0	0	114.7	K163	K163-A167 PolarHBondContact O-N 3.47Å; K163-A167 VanDerWaalsContact O-N 3.09Å
168	A	82.7	Confident	91	Very high	56 Å²	56	77.2 Å²	77.2	46%	0.463	43%	0.432	S	S	.	.	H	α-helix	trans	-88.3	-13.7	176.4	0	0	0	0	0	112.9	F55 S164 Q165 E166	F55-A168 HydrophobicContact CB-CB 4.05Å; F55-A168 HydrophobicContact CD2-CB 4.24Å; F55-A168 HydrophobicContact CG-CB 4.18Å; S164-A168 WeakPolarHBondContact O-CB 3.39Å; S164-A168 PolarHBondContact O-N 3.16Å; S164-A168 VanDerWaalsContact O-N 3.15Å; Q165-A168 PolarHBondContact O-N 2.9Å; E166-A168 VanDerWaalsContact C-N 3.26Å; E166-A168 PolarHBondContact O-N 3.16Å
169	A	78.1	Confident	90.4	Very high	87 Å²	87	79.3 Å²	79.3	72%	0.719	43%	0.432	S	S	*	.	H	α-helix	trans	-87	-13.6	177.1	0	0	0	0	0	113.2	Q165 E166	Q165-A169 PolarHBondContact O-N 2.8Å; E166-A169 PolarHBondContact O-N 2.71Å
170	D	58.7	Low	89.7	Confident	198 Å²	198	78.7 Å²	78.7	100%	1.059	44%	0.437	S	S	*	.			trans	-88.8	0	176	-66.5	-27.8	0	0	0	111.8

Retrieved 170 of 170 residues in 254.7 ms (Link to these results)

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