A0A096N5I0_PAPAN Loading...

Leucine-rich repeat-containing protein 57

AlphaFold DB (A0A0D9R8Y9), UniProt , Accession A0A096N5I0, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC57, Length 239 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	72.6	Confident	224 Å²	224	84.8 Å²	84.8	100%	1.103	48%	0.477	S	S	*	.				0	-8	0	-68.4	-164.4	-114.9	0	0	114.8	N3 S4	M1-N3 PolarHBondContact O-N 2.96Å; M1-S4 PolarHBondContact O-OG 3.44Å
2	G	48.4	Very low	74.1	Confident	65 Å²	65	84.3 Å²	84.3	67%	0.67	48%	0.477	S	S	*	.	H	α-helix	trans	-72.9	-23	-177.3	0	0	0	0	0	116.7
3	N	54	Low	75.6	Confident	98 Å²	98	77.8 Å²	77.8	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-83.9	-25.7	-171.6	-145	-12.2	0	0	0	113.7	M1 R7	M1-N3 PolarHBondContact O-N 2.96Å; N3-R7 WeakPolarHBondContact O-CG 3.43Å; N3-R7 PolarHBondContact O-N 2.99Å
4	S	61.8	Low	76.8	Confident	85 Å²	85	80.6 Å²	80.6	59%	0.594	45%	0.448	S	S	*	.	H	α-helix	trans	-74.4	-37.8	178.1	52.7	0	0	0	0	112.6	M1 R7 A8	M1-S4 PolarHBondContact O-OG 3.44Å; S4-R7 PolarHBondContact O-N 3.11Å; S4-A8 PolarHBondContact O-N 3.26Å
5	A	70.6	Confident	77.9	Confident	33 Å²	33	87.3 Å²	87.3	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-65.6	-43.1	178	0	0	0	0	0	111.8	R7 A8 H9	A5-R7 PolarHBondContact O-N 3.31Å; A5-A8 PolarHBondContact O-N 3.29Å; A5-H9 PolarHBondContact O-CD2 3.17Å; A5-H9 PolarHBondContact O-N 3.13Å
6	L	81.4	Confident	78.9	Confident	28 Å²	28	86.8 Å²	86.8	15%	0.147	47%	0.472	C	S	.	.	H	α-helix	trans	-61.4	-43.7	177.3	-177.1	64.1	0	0	0	111.7	A8 H9 V10 F19 L21 P30	L6-A8 PolarHBondContact O-N 3.26Å; L6-H9 PolarHBondContact O-N 3.41Å; L6-V10 HydrophobicContact CG-CG2 4.46Å; L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-V10 PolarHBondContact O-N 3.47Å; L6-F19 HydrophobicContact CD1-CE2 4.36Å; L6-F19 HydrophobicContact CD1-CZ 3.84Å; L6-L21 HydrophobicContact CD1-CD2 3.45Å; L6-L21 VanDerWaalsContact CD1-CD2 3.45Å; L6-P30 HydrophobicContact CD1-CB 4.25Å
7	R	83.9	Confident	79.9	Confident	153 Å²	153	81.8 Å²	81.8	58%	0.577	45%	0.445	S	S	*	.	H	α-helix	trans	-58.6	-45.9	178.2	-75.3	179.1	-178.5	-170.1	-0.6	112.7	N3 S4 A5 H9 V10 E11	N3-R7 WeakPolarHBondContact O-CG 3.43Å; N3-R7 PolarHBondContact O-N 2.99Å; S4-R7 PolarHBondContact O-N 3.11Å; A5-R7 PolarHBondContact O-N 3.31Å; R7-H9 VanDerWaalsContact C-N 3.31Å; R7-H9 PolarHBondContact O-N 2.87Å; R7-V10 PolarHBondContact O-N 2.91Å; R7-V10 VanDerWaalsContact O-N 3.17Å; R7-E11 WeakPolarHBondContact O-CG 3.33Å; R7-E11 PolarHBondContact O-N 3.36Å
8	A	86.1	Confident	80.9	Confident	49 Å²	49	80.1 Å²	80.1	41%	0.405	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-38.4	177.9	0	0	0	0	0	112.5	S4 A5 L6 T12	S4-A8 PolarHBondContact O-N 3.26Å; A5-A8 PolarHBondContact O-N 3.29Å; L6-A8 PolarHBondContact O-N 3.26Å; A8-T12 WeakPolarHBondContact O-CB 3.22Å; A8-T12 PolarHBondContact O-N 2.93Å; A8-T12 PolarHBondContact O-OG1 3.29Å
9	H	88.9	Confident	81.7	Confident	60 Å²	60	75.9 Å²	75.9	28%	0.278	41%	0.414	S	S	.	.	H	α-helix	trans	-67.5	-39.1	174.8	-70.6	-60.9	0	0	0	112.3	A5 L6 R7 T12 A13 F19 L21	A5-H9 PolarHBondContact O-CD2 3.17Å; A5-H9 PolarHBondContact O-N 3.13Å; L6-H9 PolarHBondContact O-N 3.41Å; R7-H9 VanDerWaalsContact C-N 3.31Å; R7-H9 PolarHBondContact O-N 2.87Å; H9-T12 PolarHBondContact O-N 3.41Å; H9-A13 WeakPolarHBondContact O-CB 3.48Å; H9-A13 PolarHBondContact O-N 3.3Å; H9-F19 HydrophobicContact CB-CD2 4.4Å; H9-F19 HydrophobicContact CB-CE2 3.77Å; H9-F19 HydrophobicContact CB-CZ 4.42Å; H9-L21 WeakPolarHBondContact CD2-CD1 3.47Å
10	V	89.7	Confident	82.4	Confident	20 Å²	20	77.2 Å²	77.2	12%	0.121	42%	0.417	C	S	.	.	H	α-helix	trans	-63.7	-45.7	175.4	170.5	0	0	0	0	111	L6 R7 T12 A13 Q14 F19 D32 L36	L6-V10 HydrophobicContact CG-CG2 4.46Å; L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-V10 PolarHBondContact O-N 3.47Å; R7-V10 PolarHBondContact O-N 2.91Å; R7-V10 VanDerWaalsContact O-N 3.17Å; V10-T12 VanDerWaalsContact C-N 3.35Å; V10-T12 PolarHBondContact O-N 3.11Å; V10-A13 PolarHBondContact O-N 3.41Å; V10-Q14 PolarHBondContact O-N 3.14Å; V10-F19 HydrophobicContact CG2-CE2 3.94Å; V10-D32 HydrophobicContact CG2-CB 4.34Å; V10-L36 HydrophobicContact CG1-CD1 3.95Å; V10-L36 HydrophobicContact CG1-CG 4.41Å
11	E	89.8	Confident	82.9	Confident	118 Å²	118	73.9 Å²	73.9	55%	0.551	40%	0.4	S	S	*	.	H	α-helix	trans	-62.4	-41.1	177.4	-73	175.9	-167.5	0	0	112.4	R7 Q14 K15	R7-E11 WeakPolarHBondContact O-CG 3.33Å; R7-E11 PolarHBondContact O-N 3.36Å; E11-Q14 WeakPolarHBondContact O-CB 3.22Å; E11-Q14 PolarHBondContact O-N 3.42Å; E11-K15 PolarHBondContact O-N 2.82Å
12	T	91.3	Very high	85.3	Confident	78 Å²	78	67.4 Å²	67.4	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-64.8	-43	175.4	-57.4	0	0	0	0	110.9	A8 H9 V10 Q14 K15 T16	A8-T12 WeakPolarHBondContact O-CB 3.22Å; A8-T12 PolarHBondContact O-N 2.93Å; A8-T12 PolarHBondContact O-OG1 3.29Å; H9-T12 PolarHBondContact O-N 3.41Å; V10-T12 VanDerWaalsContact C-N 3.35Å; V10-T12 PolarHBondContact O-N 3.11Å; T12-Q14 VanDerWaalsContact C-N 3.29Å; T12-Q14 PolarHBondContact O-N 3.25Å; T12-K15 PolarHBondContact O-N 3.34Å; T12-K15 VanDerWaalsContact O-N 3.12Å; T12-T16 HydrophobicContact CG2-CG2 4.24Å; T12-T16 WeakPolarHBondContact O-CG2 3.4Å; T12-T16 PolarHBondContact O-N 3.38Å; T12-T16 PolarHBondContact O-OG1 3.3Å
13	A	93.3	Very high	87.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-31.3	178.9	0	0	0	0	0	112.5	H9 V10 K15 T16 G17 V18 F19 L36 L40	H9-A13 WeakPolarHBondContact O-CB 3.48Å; H9-A13 PolarHBondContact O-N 3.3Å; V10-A13 PolarHBondContact O-N 3.41Å; A13-K15 VanDerWaalsContact C-N 3.26Å; A13-K15 PolarHBondContact O-N 3.38Å; A13-T16 PolarHBondContact O-N 3Å; A13-G17 WeakPolarHBondContact O-CA 3.5Å; A13-G17 PolarHBondContact O-N 2.89Å; A13-V18 VanDerWaalsContact CA-O 3.32Å; A13-V18 WeakPolarHBondContact CA-O 3.31Å; A13-V18 VanDerWaalsContact CB-O 3.26Å; A13-V18 WeakPolarHBondContact CB-O 3.4Å; A13-F19 HydrophobicContact CB-CB 3.78Å; A13-F19 HydrophobicContact CB-CD2 3.75Å; A13-F19 HydrophobicContact CB-CG 4.27Å; A13-L36 HydrophobicContact CB-CD1 3.81Å; A13-L40 HydrophobicContact CB-CD2 3.87Å
14	Q	92.7	Very high	89.3	Confident	117 Å²	117	72 Å²	72	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-33.7	172.1	-169.9	178	5.6	0	0	112.4	V10 E11 T12 L36 N39	V10-Q14 PolarHBondContact O-N 3.14Å; E11-Q14 WeakPolarHBondContact O-CB 3.22Å; E11-Q14 PolarHBondContact O-N 3.42Å; T12-Q14 VanDerWaalsContact C-N 3.29Å; T12-Q14 PolarHBondContact O-N 3.25Å; Q14-L36 HydrophobicContact CB-CD2 3.74Å; Q14-L36 HydrophobicContact CG-CD2 3.92Å; Q14-N39 PolarHBondContact O-ND2 3.15Å
15	K	92.4	Very high	90.7	Very high	181 Å²	181	69.5 Å²	69.5	79%	0.787	35%	0.351	S	S	*	.	H	α-helix	trans	-84.5	-35.2	179	-65	176.3	-176.1	174.6	0	112.6	E11 T12 A13	E11-K15 PolarHBondContact O-N 2.82Å; T12-K15 PolarHBondContact O-N 3.34Å; T12-K15 VanDerWaalsContact O-N 3.12Å; A13-K15 VanDerWaalsContact C-N 3.26Å; A13-K15 PolarHBondContact O-N 3.38Å
16	T	94.9	Very high	91.8	Very high	80 Å²	80	69.9 Å²	69.9	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-102	-19.5	-169	59.6	0	0	0	0	114.2	T12 A13 V18	T12-T16 HydrophobicContact CG2-CG2 4.24Å; T12-T16 WeakPolarHBondContact O-CG2 3.4Å; T12-T16 PolarHBondContact O-N 3.38Å; T12-T16 PolarHBondContact O-OG1 3.3Å; A13-T16 PolarHBondContact O-N 3Å; T16-V18 PolarHBondContact O-N 3.13Å; T16-V18 PolarHBondContact OG1-N 2.98Å; T16-V18 PolarHBondContact OG1-O 2.95Å
17	G	96.1	Very high	92.5	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.01	37%	0.368	C	S	.	.	S	Bend	trans	71.3	11.2	-169.1	0	0	0	0	0	113.5	A13 L40 R41 T42	A13-G17 WeakPolarHBondContact O-CA 3.5Å; A13-G17 PolarHBondContact O-N 2.89Å; G17-L40 WeakPolarHBondContact O-CA 3.29Å; G17-R41 PolarHBondContact O-N 2.94Å; G17-T42 PolarHBondContact O-N 3.1Å; G17-T42 VanDerWaalsContact O-N 3.16Å
18	V	97.1	Very high	93	Very high	52 Å²	52	72.2 Å²	72.2	32%	0.315	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116	-177	178.6	0	0	0	0	109.1	A13 T16 Q20 T42	A13-V18 VanDerWaalsContact CA-O 3.32Å; A13-V18 WeakPolarHBondContact CA-O 3.31Å; A13-V18 VanDerWaalsContact CB-O 3.26Å; A13-V18 WeakPolarHBondContact CB-O 3.4Å; T16-V18 PolarHBondContact O-N 3.13Å; T16-V18 PolarHBondContact OG1-N 2.98Å; T16-V18 PolarHBondContact OG1-O 2.95Å; V18-Q20 HydrophobicContact CG1-CG 3.87Å; V18-T42 WeakPolarHBondContact CA-O 3.46Å; V18-T42 HydrophobicContact CG1-CG2 4.22Å
19	F	96.7	Very high	93.3	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.7	173.4	-174.8	-96	0	0	0	110.1	L6 H9 V10 A13 L21 L33 L40 T42 I43 D44 L45	L6-F19 HydrophobicContact CD1-CE2 4.36Å; L6-F19 HydrophobicContact CD1-CZ 3.84Å; H9-F19 HydrophobicContact CB-CD2 4.4Å; H9-F19 HydrophobicContact CB-CE2 3.77Å; H9-F19 HydrophobicContact CB-CZ 4.42Å; V10-F19 HydrophobicContact CG2-CE2 3.94Å; A13-F19 HydrophobicContact CB-CB 3.78Å; A13-F19 HydrophobicContact CB-CD2 3.75Å; A13-F19 HydrophobicContact CB-CG 4.27Å; F19-L21 HydrophobicContact CE1-CB 3.7Å; F19-L21 HydrophobicContact CE1-CD2 4.37Å; F19-L21 HydrophobicContact CZ-CB 3.89Å; F19-L21 HydrophobicContact CZ-CD2 3.93Å; F19-L33 HydrophobicContact CB-CD2 4.26Å; F19-L33 HydrophobicContact CD1-CD1 3.8Å; F19-L33 HydrophobicContact CD1-CD2 3.82Å; F19-L33 HydrophobicContact CD1-CG 4.43Å; F19-L33 HydrophobicContact CD2-CD2 3.46Å; F19-L33 VanDerWaalsContact CD2-CD2 3.46Å; F19-L33 HydrophobicContact CE1-CD1 3.89Å; F19-L33 HydrophobicContact CE1-CD2 3.97Å; F19-L33 HydrophobicContact CE1-CG 4.39Å; F19-L33 HydrophobicContact CE2-CD2 3.62Å; F19-L33 HydrophobicContact CG-CD1 4.32Å; F19-L33 HydrophobicContact CG-CD2 3.55Å; F19-L33 HydrophobicContact CZ-CD1 4.47Å; F19-L33 HydrophobicContact CZ-CD2 3.87Å; F19-L40 HydrophobicContact CB-CD1 4.08Å; F19-L40 HydrophobicContact CB-CD2 4.09Å; F19-T42 PolarHBondContact N-O 2.82Å; F19-I43 HydrophobicContact CB-CG1 4.48Å; F19-I43 CarbonylContact O-C 3.44Å; F19-I43 WeakPolarHBondContact O-CA 3.48Å; F19-D44 PolarHBondContact O-N 3.13Å; F19-L45 HydrophobicContact CD1-CD2 4.26Å; F19-L45 HydrophobicContact CE1-CD2 3.73Å
20	Q	94.9	Very high	93.5	Very high	101 Å²	101	68 Å²	68	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.9	178.3	-61.6	-175.7	-24.2	0	0	109.9	V18 D44	V18-Q20 HydrophobicContact CG1-CG 3.87Å; Q20-D44 WeakPolarHBondContact CA-O 3.27Å; Q20-D44 HydrophobicContact CB-CB 4.4Å; Q20-D44 HydrophobicContact CG-CB 3.96Å
21	L	94.2	Very high	93.5	Very high	9 Å²	9	70 Å²	70	5%	0.047	36%	0.363	C	S	.	.			trans	-148.2	79.3	177.6	-166.2	58.2	0	0	0	110.8	L6 H9 F19 R24 L26 D44 L45 N48	L6-L21 HydrophobicContact CD1-CD2 3.45Å; L6-L21 VanDerWaalsContact CD1-CD2 3.45Å; H9-L21 WeakPolarHBondContact CD2-CD1 3.47Å; F19-L21 HydrophobicContact CE1-CB 3.7Å; F19-L21 HydrophobicContact CE1-CD2 4.37Å; F19-L21 HydrophobicContact CZ-CB 3.89Å; F19-L21 HydrophobicContact CZ-CD2 3.93Å; L21-R24 HydrophobicContact CD1-CG 3.48Å; L21-R24 VanDerWaalsContact CD1-CG 3.48Å; L21-R24 HydrophobicContact CG-CB 4.38Å; L21-R24 HydrophobicContact CG-CG 3.68Å; L21-L26 HydrophobicContact CD2-CD1 3.81Å; L21-L26 HydrophobicContact CD2-CD2 4.43Å; L21-L26 HydrophobicContact CG-CD1 4.1Å; L21-D44 PolarHBondContact N-O 3.47Å; L21-L45 HydrophobicContact CB-CD2 4.09Å; L21-N48 PolarHBondContact O-ND2 2.76Å
22	K	93.9	Very high	93.6	Very high	87 Å²	87	67 Å²	67	38%	0.378	35%	0.351	S	S	.	.			trans	-91.2	155.1	-179.6	-55.2	178.5	179.5	-174.5	0	112.2	R24 D44 S46	K22-R24 WeakPolarHBondContact O-CG 3.09Å; K22-R24 PolarHBondContact O-N 2.94Å; K22-D44 WeakPolarHBondContact CE-OD1 3.43Å; K22-D44 WeakPolarHBondContact CE-OD2 3.47Å; K22-D44 IonicContact NZ-OD1 2.75Å; K22-D44 IonicContact NZ-OD2 2.81Å; K22-D44 PolarHBondContact NZ-OD2 2.82Å; K22-S46 VanDerWaalsContact CA-O 3.23Å; K22-S46 WeakPolarHBondContact CA-O 3.42Å; K22-S46 WeakPolarHBondContact CB-O 3.44Å
23	D	92.9	Very high	93.7	Very high	110 Å²	110	63.3 Å²	63.3	59%	0.588	33%	0.328	S	S	*	.	S	Bend	trans	59.4	33.1	166.6	-57.1	-78.4	0	0	0	113.4	S46 N47	D23-S46 PolarHBondContact N-O 2.84Å; D23-N47 VanDerWaalsContact CA-O 3.22Å; D23-N47 WeakPolarHBondContact CA-O 3.48Å; D23-N47 HydrophobicContact CB-CB 4.48Å; D23-N47 PolarHBondContact N-O 3.24Å; D23-N47 WeakPolarHBondContact OD1-CB 3.24Å; D23-N47 PolarHBondContact OD1-ND2 3.41Å; D23-N47 VanDerWaalsContact OD1-ND2 3.11Å; D23-N47 PolarHBondContact OD2-ND2 3.31Å; D23-N47 VanDerWaalsContact OD2-ND2 3.12Å
24	R	91.9	Very high	93.7	Very high	150 Å²	150	68.5 Å²	68.5	57%	0.566	35%	0.352	S	S	*	.	S	Bend	trans	-105	-2.3	-179.5	-62.6	-46.8	-172.8	156.1	1.5	113.8	L21 K22 L26 N48	L21-R24 HydrophobicContact CD1-CG 3.48Å; L21-R24 VanDerWaalsContact CD1-CG 3.48Å; L21-R24 HydrophobicContact CG-CB 4.38Å; L21-R24 HydrophobicContact CG-CG 3.68Å; K22-R24 WeakPolarHBondContact O-CG 3.09Å; K22-R24 PolarHBondContact O-N 2.94Å; R24-L26 HydrophobicContact CB-CD2 4.42Å; R24-L26 HydrophobicContact CB-CG 4.07Å; R24-L26 PolarHBondContact O-N 3.2Å; R24-N48 PolarHBondContact N-OD1 3.45Å; R24-N48 VanDerWaalsContact N-OD1 3.13Å
25	G	92.7	Very high	93.8	Very high	33 Å²	33	70 Å²	70	34%	0.34	36%	0.357	S	S	.	.			trans	63.5	28.2	-178	0	0	0	0	0	113.3	T27 N48	G25-T27 PolarHBondContact O-N 3.47Å; G25-N48 PolarHBondContact N-OD1 3.22Å
26	L	93.4	Very high	93.9	Very high	40 Å²	40	61.7 Å²	61.7	21%	0.209	32%	0.321	C	S	.	.			trans	-58.8	126	177.3	-60.9	169.7	0	0	0	109.8	L21 R24 P30 L45 N48 K49 I50	L21-L26 HydrophobicContact CD2-CD1 3.81Å; L21-L26 HydrophobicContact CD2-CD2 4.43Å; L21-L26 HydrophobicContact CG-CD1 4.1Å; R24-L26 HydrophobicContact CB-CD2 4.42Å; R24-L26 HydrophobicContact CB-CG 4.07Å; R24-L26 PolarHBondContact O-N 3.2Å; L26-P30 HydrophobicContact CD1-CG 4.04Å; L26-L45 HydrophobicContact CD1-CD2 3.98Å; L26-N48 HydrophobicContact CB-CB 4Å; L26-N48 WeakPolarHBondContact CG-OD1 3.4Å; L26-N48 PolarHBondContact N-OD1 3.15Å; L26-K49 CarbonylContact O-C 3.15Å; L26-K49 VanDerWaalsContact O-CA 3.24Å; L26-K49 WeakPolarHBondContact O-CA 3.2Å; L26-K49 PolarHBondContact O-N 2.99Å; L26-I50 HydrophobicContact CB-CG1 4.32Å; L26-I50 PolarHBondContact O-N 2.99Å
27	T	94.6	Very high	93.8	Very high	92 Å²	92	59.2 Å²	59.2	56%	0.564	31%	0.306	S	S	*	.	S	Bend	trans	-88.5	-19.3	175.9	51.8	0	0	0	0	112.4	G25 K49	G25-T27 PolarHBondContact O-N 3.47Å; T27-K49 HydrophobicContact CG2-CB 4.38Å
28	E	94.5	Very high	93.7	Very high	138 Å²	138	63.6 Å²	63.6	65%	0.645	34%	0.337	S	S	*	.	S	Bend	trans	-134.2	158.5	-177.5	63.1	179.5	-172	0	0	111.5
29	F	94.1	Very high	93.6	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.048	34%	0.336	C	S	.	.			trans	-68.4	130.4	173.3	-171.4	-85.8	0	0	0	110.1	A31 L33 I43 L45 L53 P54 L57 I58 F61	F29-A31 PolarHBondContact O-N 3.09Å; F29-L33 HydrophobicContact CE1-CB 4.15Å; F29-L33 HydrophobicContact CE1-CD1 3.78Å; F29-L33 HydrophobicContact CE1-CG 4.49Å; F29-L33 HydrophobicContact CZ-CD1 3.74Å; F29-I43 HydrophobicContact CZ-CD1 4.41Å; F29-L45 HydrophobicContact CD2-CD1 3.51Å; F29-L45 HydrophobicContact CE2-CD1 3.47Å; F29-L45 VanDerWaalsContact CE2-CD1 3.47Å; F29-L45 HydrophobicContact CG-CD1 4.42Å; F29-L45 HydrophobicContact CZ-CD1 4.35Å; F29-L53 HydrophobicContact CD2-CD2 3.91Å; F29-P54 HydrophobicContact CB-CG 3.76Å; F29-P54 HydrophobicContact CD1-CG 3.8Å; F29-P54 HydrophobicContact CG-CG 3.91Å; F29-L57 HydrophobicContact CD1-CD2 3.78Å; F29-L57 HydrophobicContact CD1-CG 4.48Å; F29-L57 HydrophobicContact CE1-CD2 3.82Å; F29-L57 HydrophobicContact CE1-CG 4.17Å; F29-I58 HydrophobicContact CE2-CD1 4.26Å; F29-I58 HydrophobicContact CZ-CD1 4.4Å; F29-F61 HydrophobicContact CE1-CE2 4.01Å; F29-F61 HydrophobicContact CE1-CZ 4.17Å; F29-F61 AromaticContact CZ-CE2 3.87Å; F29-F61 HydrophobicContact CZ-CE2 3.87Å; F29-F61 HydrophobicContact CZ-CZ 4.18Å
30	P	92.5	Very high	93.7	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.058	34%	0.336	C	S	.	.			trans	-64.5	111.7	-174.8	-21.1	31.9	0	0	0	113	L6 L26 D32 L33 L45	L6-P30 HydrophobicContact CD1-CB 4.25Å; L26-P30 HydrophobicContact CD1-CG 4.04Å; P30-D32 PolarHBondContact O-N 3.26Å; P30-L33 HydrophobicContact CB-CD1 4.32Å; P30-L33 HydrophobicContact CB-CG 4.19Å; P30-L33 HydrophobicContact CG-CD1 4.43Å; P30-L33 WeakPolarHBondContact O-CB 3.45Å; P30-L33 WeakPolarHBondContact O-CG 3.25Å; P30-L33 PolarHBondContact O-N 2.86Å; P30-L33 VanDerWaalsContact O-N 3.14Å; P30-L45 HydrophobicContact CG-CD2 4.23Å
31	A	90.6	Very high	93.8	Very high	64 Å²	64	66.1 Å²	66.1	53%	0.529	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.7	-29.1	-178.1	0	0	0	0	0	113.4	F29 L33 Q34	F29-A31 PolarHBondContact O-N 3.09Å; A31-L33 PolarHBondContact O-N 3.25Å; A31-L33 VanDerWaalsContact O-N 3.09Å; A31-Q34 VanDerWaalsContact O-CB 3.23Å; A31-Q34 WeakPolarHBondContact O-CB 3.35Å; A31-Q34 PolarHBondContact O-N 3.14Å
32	D	91	Very high	94	Very high	54 Å²	54	67.5 Å²	67.5	29%	0.289	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22	177.5	-83.2	-49.2	0	0	0	113.8	V10 P30 Q34 K35	V10-D32 HydrophobicContact CG2-CB 4.34Å; P30-D32 PolarHBondContact O-N 3.26Å; D32-Q34 PolarHBondContact O-N 3.08Å; D32-Q34 VanDerWaalsContact O-N 3.15Å; D32-K35 PolarHBondContact O-N 3.27Å; D32-K35 IonicContact OD1-NZ 3.94Å; D32-K35 PolarHBondContact OD1-NZ 2.82Å
33	L	93.1	Very high	94.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-64.8	-15.1	175.2	-62.6	-179	0	0	0	113.2	F19 F29 P30 A31 K35 L36 T37 L40 F61	F19-L33 HydrophobicContact CB-CD2 4.26Å; F19-L33 HydrophobicContact CD1-CD1 3.8Å; F19-L33 HydrophobicContact CD1-CD2 3.82Å; F19-L33 HydrophobicContact CD1-CG 4.43Å; F19-L33 HydrophobicContact CD2-CD2 3.46Å; F19-L33 VanDerWaalsContact CD2-CD2 3.46Å; F19-L33 HydrophobicContact CE1-CD1 3.89Å; F19-L33 HydrophobicContact CE1-CD2 3.97Å; F19-L33 HydrophobicContact CE1-CG 4.39Å; F19-L33 HydrophobicContact CE2-CD2 3.62Å; F19-L33 HydrophobicContact CG-CD1 4.32Å; F19-L33 HydrophobicContact CG-CD2 3.55Å; F19-L33 HydrophobicContact CZ-CD1 4.47Å; F19-L33 HydrophobicContact CZ-CD2 3.87Å; F29-L33 HydrophobicContact CE1-CB 4.15Å; F29-L33 HydrophobicContact CE1-CD1 3.78Å; F29-L33 HydrophobicContact CE1-CG 4.49Å; F29-L33 HydrophobicContact CZ-CD1 3.74Å; P30-L33 HydrophobicContact CB-CD1 4.32Å; P30-L33 HydrophobicContact CB-CG 4.19Å; P30-L33 HydrophobicContact CG-CD1 4.43Å; P30-L33 WeakPolarHBondContact O-CB 3.45Å; P30-L33 WeakPolarHBondContact O-CG 3.25Å; P30-L33 PolarHBondContact O-N 2.86Å; P30-L33 VanDerWaalsContact O-N 3.14Å; A31-L33 PolarHBondContact O-N 3.25Å; A31-L33 VanDerWaalsContact O-N 3.09Å; L33-K35 PolarHBondContact O-N 2.97Å; L33-K35 VanDerWaalsContact O-N 3.13Å; L33-L36 HydrophobicContact CD2-CD1 4.26Å; L33-L36 PolarHBondContact O-N 3.15Å; L33-T37 PolarHBondContact O-N 2.98Å; L33-L40 HydrophobicContact CD2-CD1 4.17Å; L33-F61 HydrophobicContact CB-CE1 4.24Å; L33-F61 HydrophobicContact CB-CZ 3.79Å; L33-F61 WeakPolarHBondContact O-CE1 3.44Å
34	Q	94	Very high	94.5	Very high	109 Å²	109	58.9 Å²	58.9	51%	0.509	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-52.3	-34.6	172.2	-175.7	175.3	-0.5	0	0	112.5	A31 D32 L36 T37 L57	A31-Q34 VanDerWaalsContact O-CB 3.23Å; A31-Q34 WeakPolarHBondContact O-CB 3.35Å; A31-Q34 PolarHBondContact O-N 3.14Å; D32-Q34 PolarHBondContact O-N 3.08Å; D32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-L36 PolarHBondContact O-N 2.74Å; Q34-T37 WeakPolarHBondContact O-CG2 3.38Å; Q34-T37 PolarHBondContact O-OG1 3.28Å; Q34-T37 VanDerWaalsContact O-OG1 3.1Å; Q34-L57 HydrophobicContact CB-CD1 3.69Å; Q34-L57 HydrophobicContact CG-CD1 4.05Å
35	K	93.8	Very high	94.8	Very high	149 Å²	149	51.8 Å²	51.8	65%	0.648	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70	-16	179.7	-62.5	165.5	-175.5	153	0	113.1	D32 L33	D32-K35 PolarHBondContact O-N 3.27Å; D32-K35 IonicContact OD1-NZ 3.94Å; D32-K35 PolarHBondContact OD1-NZ 2.82Å; L33-K35 PolarHBondContact O-N 2.97Å; L33-K35 VanDerWaalsContact O-N 3.13Å
36	L	94.3	Very high	95	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.037	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-112.8	8.1	-173.5	-53.7	-176.6	0	0	0	113.3	V10 A13 Q14 L33 Q34 S38 N39 L40	V10-L36 HydrophobicContact CG1-CD1 3.95Å; V10-L36 HydrophobicContact CG1-CG 4.41Å; A13-L36 HydrophobicContact CB-CD1 3.81Å; Q14-L36 HydrophobicContact CB-CD2 3.74Å; Q14-L36 HydrophobicContact CG-CD2 3.92Å; L33-L36 HydrophobicContact CD2-CD1 4.26Å; L33-L36 PolarHBondContact O-N 3.15Å; Q34-L36 PolarHBondContact O-N 2.74Å; L36-S38 PolarHBondContact O-N 3.48Å; L36-S38 VanDerWaalsContact O-N 3.11Å; L36-N39 PolarHBondContact O-N 3.41Å; L36-L40 HydrophobicContact CB-CD1 3.9Å; L36-L40 HydrophobicContact CB-CD2 4.16Å; L36-L40 HydrophobicContact CB-CG 3.71Å; L36-L40 HydrophobicContact CD1-CD1 4.44Å; L36-L40 HydrophobicContact CD1-CD2 4.17Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 2.79Å
37	T	94.4	Very high	95.3	Very high	27 Å²	27	51.3 Å²	51.3	17%	0.166	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29	-176.9	49	0	0	0	0	113.7	L33 Q34 L57 K60 F61	L33-T37 PolarHBondContact O-N 2.98Å; Q34-T37 WeakPolarHBondContact O-CG2 3.38Å; Q34-T37 PolarHBondContact O-OG1 3.28Å; Q34-T37 VanDerWaalsContact O-OG1 3.1Å; T37-L57 HydrophobicContact CG2-CD1 4.05Å; T37-K60 HydrophobicContact CG2-CB 3.69Å; T37-F61 HydrophobicContact CG2-CD1 3.93Å; T37-F61 HydrophobicContact CG2-CE1 3.59Å; T37-F61 HydrophobicContact CG2-CE2 4.27Å; T37-F61 HydrophobicContact CG2-CG 4.38Å; T37-F61 HydrophobicContact CG2-CZ 3.78Å
38	S	94	Very high	95.4	Very high	94 Å²	94	47.5 Å²	47.5	66%	0.657	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	0.8	179	56.6	0	0	0	0	115.1	L36 L63	L36-S38 PolarHBondContact O-N 3.48Å; L36-S38 VanDerWaalsContact O-N 3.11Å; S38-L63 WeakPolarHBondContact O-CD1 3.25Å
39	N	95.1	Very high	95.5	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-36.4	-176	-170.9	-15.7	0	0	0	113.1	Q14 L36 R41	Q14-N39 PolarHBondContact O-ND2 3.15Å; L36-N39 PolarHBondContact O-N 3.41Å; N39-R41 PolarHBondContact O-N 2.77Å
40	L	97.3	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.			trans	-62.3	129	-173	-64.4	-176.5	0	0	0	112.9	A13 G17 F19 L33 L36 I43 F61 L63 L64	A13-L40 HydrophobicContact CB-CD2 3.87Å; G17-L40 WeakPolarHBondContact O-CA 3.29Å; F19-L40 HydrophobicContact CB-CD1 4.08Å; F19-L40 HydrophobicContact CB-CD2 4.09Å; L33-L40 HydrophobicContact CD2-CD1 4.17Å; L36-L40 HydrophobicContact CB-CD1 3.9Å; L36-L40 HydrophobicContact CB-CD2 4.16Å; L36-L40 HydrophobicContact CB-CG 3.71Å; L36-L40 HydrophobicContact CD1-CD1 4.44Å; L36-L40 HydrophobicContact CD1-CD2 4.17Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 2.79Å; L40-I43 HydrophobicContact CB-CG1 4.43Å; L40-I43 HydrophobicContact CD1-CD1 3.89Å; L40-I43 HydrophobicContact CD1-CG1 3.83Å; L40-F61 HydrophobicContact CB-CD1 4.2Å; L40-F61 HydrophobicContact CD1-CD1 4.16Å; L40-F61 HydrophobicContact CD1-CE1 3.75Å; L40-L63 CarbonylContact O-C 3.48Å; L40-L64 HydrophobicContact CB-CD1 4.36Å; L40-L64 PolarHBondContact O-N 3.38Å
41	R	98.3	Very high	95.9	Very high	149 Å²	149	50.5 Å²	50.5	56%	0.562	26%	0.259	S	S	*	.	S	Bend	trans	-109.3	-27.5	173.6	-59.8	-178.1	-174.9	-161.9	0.5	111.7	G17 N39 K65 S66	G17-R41 PolarHBondContact O-N 2.94Å; N39-R41 PolarHBondContact O-N 2.77Å; R41-K65 PolarHBondContact O-N 2.85Å; R41-S66 PolarHBondContact O-N 2.91Å
42	T	98.4	Very high	96.2	Very high	38 Å²	38	51 Å²	51	23%	0.233	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.4	179.1	-58.3	0	0	0	0	110.2	G17 V18 F19 S66	G17-T42 PolarHBondContact O-N 3.1Å; G17-T42 VanDerWaalsContact O-N 3.16Å; V18-T42 WeakPolarHBondContact CA-O 3.46Å; V18-T42 HydrophobicContact CG1-CG2 4.22Å; F19-T42 PolarHBondContact N-O 2.82Å; T42-S66 WeakPolarHBondContact CA-O 3.46Å
43	I	98.3	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.1	170.6	-68.3	169.6	0	0	0	107.9	F19 F29 L40 L45 F61 L64 S66 L67 S68	F19-I43 HydrophobicContact CB-CG1 4.48Å; F19-I43 CarbonylContact O-C 3.44Å; F19-I43 WeakPolarHBondContact O-CA 3.48Å; F29-I43 HydrophobicContact CZ-CD1 4.41Å; L40-I43 HydrophobicContact CB-CG1 4.43Å; L40-I43 HydrophobicContact CD1-CD1 3.89Å; L40-I43 HydrophobicContact CD1-CG1 3.83Å; I43-L45 HydrophobicContact CG2-CD1 3.98Å; I43-L45 HydrophobicContact CG2-CG 3.88Å; I43-F61 HydrophobicContact CD1-CD1 3.95Å; I43-F61 HydrophobicContact CD1-CD2 4.31Å; I43-F61 HydrophobicContact CD1-CE1 4.04Å; I43-F61 HydrophobicContact CD1-CE2 4.37Å; I43-F61 HydrophobicContact CD1-CG 4.11Å; I43-F61 HydrophobicContact CD1-CZ 4.25Å; I43-L64 HydrophobicContact CB-CD1 4.2Å; I43-L64 HydrophobicContact CD1-CD1 3.76Å; I43-L64 HydrophobicContact CD1-CD2 4.16Å; I43-L64 HydrophobicContact CG1-CD1 3.68Å; I43-S66 PolarHBondContact N-O 3.05Å; I43-L67 HydrophobicContact CB-CD1 3.86Å; I43-L67 HydrophobicContact CG2-CD1 3.81Å; I43-L67 WeakPolarHBondContact O-CA 3.43Å; I43-S68 PolarHBondContact O-N 2.77Å
44	D	98.3	Very high	96.7	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.7	172.7	-163.3	-25.2	0	0	0	110.4	F19 Q20 L21 K22 S46	F19-D44 PolarHBondContact O-N 3.13Å; Q20-D44 WeakPolarHBondContact CA-O 3.27Å; Q20-D44 HydrophobicContact CB-CB 4.4Å; Q20-D44 HydrophobicContact CG-CB 3.96Å; L21-D44 PolarHBondContact N-O 3.47Å; K22-D44 WeakPolarHBondContact CE-OD1 3.43Å; K22-D44 WeakPolarHBondContact CE-OD2 3.47Å; K22-D44 IonicContact NZ-OD1 2.75Å; K22-D44 IonicContact NZ-OD2 2.81Å; K22-D44 PolarHBondContact NZ-OD2 2.82Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.25Å; D44-S46 PolarHBondContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 3.49Å
45	L	97.6	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.			trans	-118.7	27.3	178.8	-68.4	174.4	0	0	0	110.7	F19 L21 L26 F29 P30 I43 N48 I50 S68 L69 N72	F19-L45 HydrophobicContact CD1-CD2 4.26Å; F19-L45 HydrophobicContact CE1-CD2 3.73Å; L21-L45 HydrophobicContact CB-CD2 4.09Å; L26-L45 HydrophobicContact CD1-CD2 3.98Å; F29-L45 HydrophobicContact CD2-CD1 3.51Å; F29-L45 HydrophobicContact CE2-CD1 3.47Å; F29-L45 VanDerWaalsContact CE2-CD1 3.47Å; F29-L45 HydrophobicContact CG-CD1 4.42Å; F29-L45 HydrophobicContact CZ-CD1 4.35Å; P30-L45 HydrophobicContact CG-CD2 4.23Å; I43-L45 HydrophobicContact CG2-CD1 3.98Å; I43-L45 HydrophobicContact CG2-CG 3.88Å; L45-N48 PolarHBondContact O-ND2 3.01Å; L45-I50 HydrophobicContact CB-CD1 4.02Å; L45-I50 HydrophobicContact CD1-CD1 3.94Å; L45-I50 HydrophobicContact CG-CD1 4.48Å; L45-S68 PolarHBondContact N-O 3.49Å; L45-L69 HydrophobicContact CB-CD2 3.88Å; L45-L69 HydrophobicContact CD1-CD2 4.21Å; L45-N72 PolarHBondContact O-ND2 2.96Å
46	S	98.3	Very high	96.8	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.042	26%	0.255	C	S	.	.			trans	-63.2	155.1	-177.6	-50.5	0	0	0	0	112.4	K22 D23 D44 N48 S68 N70	K22-S46 VanDerWaalsContact CA-O 3.23Å; K22-S46 WeakPolarHBondContact CA-O 3.42Å; K22-S46 WeakPolarHBondContact CB-O 3.44Å; D23-S46 PolarHBondContact N-O 2.84Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.25Å; D44-S46 PolarHBondContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 3.49Å; S46-N48 PolarHBondContact O-ND2 2.99Å; S46-S68 PolarHBondContact OG-OG 2.99Å; S46-N70 CarbonylContact C-O 3.55Å; S46-N70 WeakPolarHBondContact CA-O 3.34Å
47	N	98	Very high	96.9	Very high	57 Å²	57	48.1 Å²	48.1	31%	0.305	26%	0.258	S	S	.	.	S	Bend	trans	59.1	49.2	178.4	-48.8	-29.2	0	0	0	112.8	D23 N70 N71	D23-N47 VanDerWaalsContact CA-O 3.22Å; D23-N47 WeakPolarHBondContact CA-O 3.48Å; D23-N47 HydrophobicContact CB-CB 4.48Å; D23-N47 PolarHBondContact N-O 3.24Å; D23-N47 WeakPolarHBondContact OD1-CB 3.24Å; D23-N47 PolarHBondContact OD1-ND2 3.41Å; D23-N47 VanDerWaalsContact OD1-ND2 3.11Å; D23-N47 PolarHBondContact OD2-ND2 3.31Å; D23-N47 VanDerWaalsContact OD2-ND2 3.12Å; N47-N70 PolarHBondContact N-O 3.22Å; N47-N71 WeakPolarHBondContact CA-O 3.21Å; N47-N71 PolarHBondContact N-O 2.91Å; N47-N71 WeakPolarHBondContact OD1-CB 3.11Å; N47-N71 PolarHBondContact OD1-ND2 3.26Å
48	N	97.3	Very high	97	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.064	25%	0.25	C	S	.	.	S	Bend	trans	-123.3	-162.2	173.5	-76.1	-66.1	0	0	0	109.2	L21 R24 G25 L26 L45 S46 I50 N71 N72	L21-N48 PolarHBondContact O-ND2 2.76Å; R24-N48 PolarHBondContact N-OD1 3.45Å; R24-N48 VanDerWaalsContact N-OD1 3.13Å; G25-N48 PolarHBondContact N-OD1 3.22Å; L26-N48 HydrophobicContact CB-CB 4Å; L26-N48 WeakPolarHBondContact CG-OD1 3.4Å; L26-N48 PolarHBondContact N-OD1 3.15Å; L45-N48 PolarHBondContact O-ND2 3.01Å; S46-N48 PolarHBondContact O-ND2 2.99Å; N48-I50 HydrophobicContact CB-CD1 4.44Å; N48-I50 HydrophobicContact CB-CG1 4.19Å; N48-N71 PolarHBondContact N-O 2.78Å; N48-N71 VanDerWaalsContact O-O 3.08Å; N48-N72 WeakPolarHBondContact CA-OD1 3.08Å; N48-N72 WeakPolarHBondContact CB-OD1 3.35Å; N48-N72 PolarHBondContact O-OD1 2.81Å
49	K	97.8	Very high	97.1	Very high	111 Å²	111	42.8 Å²	42.8	48%	0.483	22%	0.223	S	C	.	.			trans	-125.8	29.9	-178.5	-61.1	179.3	-179.3	177.6	0	110.7	L26 T27 E51 N72	L26-K49 CarbonylContact O-C 3.15Å; L26-K49 VanDerWaalsContact O-CA 3.24Å; L26-K49 WeakPolarHBondContact O-CA 3.2Å; L26-K49 PolarHBondContact O-N 2.99Å; T27-K49 HydrophobicContact CG2-CB 4.38Å; K49-E51 PolarHBondContact O-N 3.34Å; K49-N72 PolarHBondContact N-OD1 3.15Å
50	I	97.6	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.			trans	-69.7	122.4	-176.2	-58.4	173.5	0	0	0	108.9	L26 L45 N48 S52 L53 L69 N72 K73 L74	L26-I50 HydrophobicContact CB-CG1 4.32Å; L26-I50 PolarHBondContact O-N 2.99Å; L45-I50 HydrophobicContact CB-CD1 4.02Å; L45-I50 HydrophobicContact CD1-CD1 3.94Å; L45-I50 HydrophobicContact CG-CD1 4.48Å; N48-I50 HydrophobicContact CB-CD1 4.44Å; N48-I50 HydrophobicContact CB-CG1 4.19Å; I50-S52 WeakPolarHBondContact CG2-O 3.35Å; I50-L53 HydrophobicContact CG2-CD2 4.5Å; I50-L69 HydrophobicContact CD1-CD2 4.38Å; I50-N72 HydrophobicContact CB-CB 4.44Å; I50-N72 WeakPolarHBondContact CB-OD1 3.28Å; I50-N72 WeakPolarHBondContact CG1-OD1 3.46Å; I50-N72 PolarHBondContact N-OD1 3.22Å; I50-K73 CarbonylContact O-C 3.42Å; I50-K73 WeakPolarHBondContact O-CA 3.33Å; I50-K73 PolarHBondContact O-N 3.03Å; I50-L74 HydrophobicContact CG2-CD2 4.07Å; I50-L74 PolarHBondContact O-N 2.9Å
51	E	96.7	Very high	97.2	Very high	111 Å²	111	44.9 Å²	44.9	52%	0.519	23%	0.23	S	C	.	.			trans	-94.4	-26.8	-177	-65.8	-178.1	-175.3	0	0	112.8	K49 K73	K49-E51 PolarHBondContact O-N 3.34Å; E51-K73 HydrophobicContact CG-CB 3.89Å; E51-K73 HydrophobicContact CG-CD 4.17Å
52	S	96.5	Very high	97.2	Very high	74 Å²	74	41.4 Å²	41.4	52%	0.517	23%	0.225	S	C	.	.			trans	-150	156.1	177.7	63.9	0	0	0	0	112.1	I50	I50-S52 WeakPolarHBondContact CG2-O 3.35Å
53	L	97.3	Very high	97.1	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.228	C	C	.	.			trans	-97.1	134.8	171.6	-60.7	178.4	0	0	0	109.8	F29 I50 P55 I58 L69 L74 L77 P78	F29-L53 HydrophobicContact CD2-CD2 3.91Å; I50-L53 HydrophobicContact CG2-CD2 4.5Å; L53-P55 WeakPolarHBondContact O-CD 3.33Å; L53-I58 HydrophobicContact CD1-CG1 4.32Å; L53-L69 HydrophobicContact CD1-CD1 3.7Å; L53-L69 HydrophobicContact CD2-CD1 3.76Å; L53-L69 HydrophobicContact CD2-CD2 4.02Å; L53-L69 HydrophobicContact CG-CD1 4.27Å; L53-L74 HydrophobicContact CD2-CD2 4.26Å; L53-L74 HydrophobicContact CG-CD2 4.06Å; L53-L77 HydrophobicContact CD1-CD2 4.1Å; L53-P78 HydrophobicContact CB-CG 3.99Å
54	P	96.9	Very high	97.1	Very high	43 Å²	43	42.3 Å²	42.3	28%	0.279	23%	0.228	S	C	.	.			trans	-67.6	111.4	176.2	25.3	-32.5	0	0	0	110	F29 L56 L57 I58	F29-P54 HydrophobicContact CB-CG 3.76Å; F29-P54 HydrophobicContact CD1-CG 3.8Å; F29-P54 HydrophobicContact CG-CG 3.91Å; P54-L56 PolarHBondContact O-N 3.45Å; P54-L57 HydrophobicContact CB-CB 4.01Å; P54-L57 HydrophobicContact CG-CB 3.88Å; P54-L57 HydrophobicContact CG-CD2 3.94Å; P54-L57 HydrophobicContact CG-CG 4.26Å; P54-L57 PolarHBondContact O-N 2.8Å; P54-L57 VanDerWaalsContact O-N 3.11Å; P54-I58 PolarHBondContact O-N 3.02Å
55	P	95.1	Very high	97.2	Very high	58 Å²	58	45.6 Å²	45.6	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-51	-167	-23.8	31.5	0	0	0	113.6	L53 L57 I58 G59 P78 E80	L53-P55 WeakPolarHBondContact O-CD 3.33Å; P55-L57 VanDerWaalsContact C-N 3.27Å; P55-L57 PolarHBondContact O-N 2.62Å; P55-I58 WeakPolarHBondContact O-CG2 3.41Å; P55-G59 PolarHBondContact O-N 3.02Å; P55-P78 HydrophobicContact CB-CB 3.71Å; P55-P78 HydrophobicContact CG-CB 3.91Å; P55-E80 VanDerWaalsContact CB-CD 3.46Å; P55-E80 HydrophobicContact CB-CG 4.37Å; P55-E80 WeakPolarHBondContact CB-OE1 3.34Å; P55-E80 VanDerWaalsContact CB-OE2 3.32Å; P55-E80 WeakPolarHBondContact CB-OE2 3.5Å; P55-E80 VanDerWaalsContact O-CB 3.25Å; P55-E80 WeakPolarHBondContact O-CB 3.44Å
56	L	94.6	Very high	97.2	Very high	133 Å²	133	47.2 Å²	47.2	70%	0.696	25%	0.253	S	S	*	.	H	α-helix	trans	-67.8	-25.1	-179	-62.2	179.2	0	0	0	113.9	P54 K60	P54-L56 PolarHBondContact O-N 3.45Å; L56-K60 WeakPolarHBondContact O-CD 3.49Å; L56-K60 WeakPolarHBondContact O-CE 3.42Å; L56-K60 WeakPolarHBondContact O-CG 3.2Å
57	L	96.4	Very high	97.2	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-86.1	-45.2	-179.9	174.3	57.5	0	0	0	110.5	F29 Q34 T37 P54 P55 G59 K60 F61	F29-L57 HydrophobicContact CD1-CD2 3.78Å; F29-L57 HydrophobicContact CD1-CG 4.48Å; F29-L57 HydrophobicContact CE1-CD2 3.82Å; F29-L57 HydrophobicContact CE1-CG 4.17Å; Q34-L57 HydrophobicContact CB-CD1 3.69Å; Q34-L57 HydrophobicContact CG-CD1 4.05Å; T37-L57 HydrophobicContact CG2-CD1 4.05Å; P54-L57 HydrophobicContact CB-CB 4.01Å; P54-L57 HydrophobicContact CG-CB 3.88Å; P54-L57 HydrophobicContact CG-CD2 3.94Å; P54-L57 HydrophobicContact CG-CG 4.26Å; P54-L57 PolarHBondContact O-N 2.8Å; P54-L57 VanDerWaalsContact O-N 3.11Å; P55-L57 VanDerWaalsContact C-N 3.27Å; P55-L57 PolarHBondContact O-N 2.62Å; L57-G59 VanDerWaalsContact C-N 3.27Å; L57-G59 PolarHBondContact O-N 3.11Å; L57-K60 WeakPolarHBondContact O-CB 3.08Å; L57-K60 PolarHBondContact O-N 3.13Å; L57-K60 VanDerWaalsContact O-N 3.08Å; L57-F61 HydrophobicContact CD1-CE2 4Å; L57-F61 HydrophobicContact CD1-CZ 4.04Å; L57-F61 HydrophobicContact CG-CE2 4.03Å; L57-F61 HydrophobicContact CG-CZ 4.4Å; L57-F61 WeakPolarHBondContact O-CD2 3.48Å; L57-F61 VanDerWaalsContact O-CE2 3.32Å; L57-F61 WeakPolarHBondContact O-CE2 3.41Å
58	I	97.1	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-39.3	-179.8	-166	62.9	0	0	0	111.2	F29 L53 P54 P55 K60 F61 L67 P78 I81 L84	F29-I58 HydrophobicContact CE2-CD1 4.26Å; F29-I58 HydrophobicContact CZ-CD1 4.4Å; L53-I58 HydrophobicContact CD1-CG1 4.32Å; P54-I58 PolarHBondContact O-N 3.02Å; P55-I58 WeakPolarHBondContact O-CG2 3.41Å; I58-K60 PolarHBondContact O-N 2.96Å; I58-K60 VanDerWaalsContact O-N 3.1Å; I58-F61 HydrophobicContact CD1-CD2 4.2Å; I58-F61 WeakPolarHBondContact O-CD2 3.29Å; I58-F61 PolarHBondContact O-N 3.29Å; I58-L67 HydrophobicContact CD1-CD2 4.06Å; I58-P78 HydrophobicContact CG2-CG 3.64Å; I58-I81 HydrophobicContact CG1-CD1 3.84Å; I58-L84 HydrophobicContact CG1-CD1 4.49Å; I58-L84 WeakPolarHBondContact O-CD2 3.44Å
59	G	96.6	Very high	97.3	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.6	178	0	0	0	0	0	115.1	P55 L57 E80 N83	P55-G59 PolarHBondContact O-N 3.02Å; L57-G59 VanDerWaalsContact C-N 3.27Å; L57-G59 PolarHBondContact O-N 3.11Å; G59-E80 WeakPolarHBondContact CA-O 3.37Å; G59-N83 WeakPolarHBondContact O-CB 3.39Å
60	K	97.7	Very high	97.4	Very high	101 Å²	101	40.2 Å²	40.2	44%	0.439	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-15.3	-179.8	-72.7	175.8	-177.8	-177.7	0	114.1	T37 L56 L57 I58 T62	T37-K60 HydrophobicContact CG2-CB 3.69Å; L56-K60 WeakPolarHBondContact O-CD 3.49Å; L56-K60 WeakPolarHBondContact O-CE 3.42Å; L56-K60 WeakPolarHBondContact O-CG 3.2Å; L57-K60 WeakPolarHBondContact O-CB 3.08Å; L57-K60 PolarHBondContact O-N 3.13Å; L57-K60 VanDerWaalsContact O-N 3.08Å; I58-K60 PolarHBondContact O-N 2.96Å; I58-K60 VanDerWaalsContact O-N 3.1Å; K60-T62 PolarHBondContact O-N 3.18Å
61	F	97.5	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.			trans	-78.8	54.9	-179.2	-61.7	-80.5	0	0	0	112.1	F29 L33 T37 L40 I43 L57 I58 L63 L64 L84	F29-F61 HydrophobicContact CE1-CE2 4.01Å; F29-F61 HydrophobicContact CE1-CZ 4.17Å; F29-F61 AromaticContact CZ-CE2 3.87Å; F29-F61 HydrophobicContact CZ-CE2 3.87Å; F29-F61 HydrophobicContact CZ-CZ 4.18Å; L33-F61 HydrophobicContact CB-CE1 4.24Å; L33-F61 HydrophobicContact CB-CZ 3.79Å; L33-F61 WeakPolarHBondContact O-CE1 3.44Å; T37-F61 HydrophobicContact CG2-CD1 3.93Å; T37-F61 HydrophobicContact CG2-CE1 3.59Å; T37-F61 HydrophobicContact CG2-CE2 4.27Å; T37-F61 HydrophobicContact CG2-CG 4.38Å; T37-F61 HydrophobicContact CG2-CZ 3.78Å; L40-F61 HydrophobicContact CB-CD1 4.2Å; L40-F61 HydrophobicContact CD1-CD1 4.16Å; L40-F61 HydrophobicContact CD1-CE1 3.75Å; I43-F61 HydrophobicContact CD1-CD1 3.95Å; I43-F61 HydrophobicContact CD1-CD2 4.31Å; I43-F61 HydrophobicContact CD1-CE1 4.04Å; I43-F61 HydrophobicContact CD1-CE2 4.37Å; I43-F61 HydrophobicContact CD1-CG 4.11Å; I43-F61 HydrophobicContact CD1-CZ 4.25Å; L57-F61 HydrophobicContact CD1-CE2 4Å; L57-F61 HydrophobicContact CD1-CZ 4.04Å; L57-F61 HydrophobicContact CG-CE2 4.03Å; L57-F61 HydrophobicContact CG-CZ 4.4Å; L57-F61 WeakPolarHBondContact O-CD2 3.48Å; L57-F61 VanDerWaalsContact O-CE2 3.32Å; L57-F61 WeakPolarHBondContact O-CE2 3.41Å; I58-F61 HydrophobicContact CD1-CD2 4.2Å; I58-F61 WeakPolarHBondContact O-CD2 3.29Å; I58-F61 PolarHBondContact O-N 3.29Å; F61-L63 PolarHBondContact O-N 2.96Å; F61-L64 HydrophobicContact CB-CB 4.04Å; F61-L64 HydrophobicContact CB-CD2 4.4Å; F61-L64 WeakPolarHBondContact O-CB 3.35Å; F61-L64 PolarHBondContact O-N 3.08Å; F61-L84 HydrophobicContact CB-CD2 3.99Å; F61-L84 WeakPolarHBondContact O-CD2 3.5Å
62	T	96.6	Very high	97.5	Very high	76 Å²	76	38.4 Å²	38.4	47%	0.466	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.5	-171.6	59.9	0	0	0	0	114.7	K60	K60-T62 PolarHBondContact O-N 3.18Å
63	L	97.9	Very high	97.6	Very high	56 Å²	56	39 Å²	39	29%	0.293	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.1	174.6	-61.1	-174.3	0	0	0	114.3	S38 L40 F61 K65 K86	S38-L63 WeakPolarHBondContact O-CD1 3.25Å; L40-L63 CarbonylContact O-C 3.48Å; F61-L63 PolarHBondContact O-N 2.96Å; L63-K65 PolarHBondContact O-N 3.31Å; L63-K86 HydrophobicContact CD2-CD 4.22Å
64	L	98.4	Very high	97.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.			trans	-65.9	129.2	-175.9	-157	72.2	0	0	0	110.9	L40 I43 F61 L67 L84 K86 L87	L40-L64 HydrophobicContact CB-CD1 4.36Å; L40-L64 PolarHBondContact O-N 3.38Å; I43-L64 HydrophobicContact CB-CD1 4.2Å; I43-L64 HydrophobicContact CD1-CD1 3.76Å; I43-L64 HydrophobicContact CD1-CD2 4.16Å; I43-L64 HydrophobicContact CG1-CD1 3.68Å; F61-L64 HydrophobicContact CB-CB 4.04Å; F61-L64 HydrophobicContact CB-CD2 4.4Å; F61-L64 WeakPolarHBondContact O-CB 3.35Å; F61-L64 PolarHBondContact O-N 3.08Å; L64-L67 HydrophobicContact CD2-CB 3.8Å; L64-L67 HydrophobicContact CD2-CD1 4.22Å; L64-L67 HydrophobicContact CD2-CD2 4.38Å; L64-L67 HydrophobicContact CD2-CG 4.36Å; L64-L84 HydrophobicContact CB-CD2 4.43Å; L64-L84 HydrophobicContact CD2-CD1 4.14Å; L64-K86 CarbonylContact O-C 3.12Å; L64-L87 HydrophobicContact CD2-CD1 4.15Å; L64-L87 HydrophobicContact CG-CD1 4.22Å; L64-L87 VanDerWaalsContact O-CA 3.31Å; L64-L87 WeakPolarHBondContact O-CA 3.38Å; L64-L87 PolarHBondContact O-N 2.77Å; L64-L87 VanDerWaalsContact O-N 3.13Å
65	K	98.6	Very high	97.7	Very high	87 Å²	87	40.8 Å²	40.8	38%	0.378	22%	0.218	S	C	.	.			trans	-106.1	-30.3	175.8	-70	-178.5	162.6	-113.4	0	112.4	R41 L63 E88 T89	R41-K65 PolarHBondContact O-N 2.85Å; L63-K65 PolarHBondContact O-N 3.31Å; K65-E88 IonicContact NZ-OE1 2.85Å; K65-E88 PolarHBondContact NZ-OE1 3.24Å; K65-E88 PolarHBondContact O-N 3.33Å; K65-T89 PolarHBondContact O-N 3.28Å
66	S	98.8	Very high	97.8	Very high	33 Å²	33	41.5 Å²	41.5	23%	0.231	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.7	-179.1	178.6	0	0	0	0	111.3	R41 T42 I43 T89	R41-S66 PolarHBondContact O-N 2.91Å; T42-S66 WeakPolarHBondContact CA-O 3.46Å; I43-S66 PolarHBondContact N-O 3.05Å; S66-T89 WeakPolarHBondContact CA-O 3.37Å
67	L	98.8	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.7	174.6	179.8	57.7	0	0	0	109.4	I43 I58 L64 L69 I81 L84 L87 T89 L90 S91	I43-L67 HydrophobicContact CB-CD1 3.86Å; I43-L67 HydrophobicContact CG2-CD1 3.81Å; I43-L67 WeakPolarHBondContact O-CA 3.43Å; I58-L67 HydrophobicContact CD1-CD2 4.06Å; L64-L67 HydrophobicContact CD2-CB 3.8Å; L64-L67 HydrophobicContact CD2-CD1 4.22Å; L64-L67 HydrophobicContact CD2-CD2 4.38Å; L64-L67 HydrophobicContact CD2-CG 4.36Å; L67-L69 HydrophobicContact CD1-CD1 3.99Å; L67-L69 HydrophobicContact CD1-CG 4.07Å; L67-L69 HydrophobicContact CD2-CD1 3.85Å; L67-L69 HydrophobicContact CG-CD1 3.85Å; L67-L69 HydrophobicContact CG-CG 4.23Å; L67-I81 HydrophobicContact CD2-CD1 3.93Å; L67-L84 HydrophobicContact CD2-CD1 4.4Å; L67-L87 HydrophobicContact CB-CD1 3.92Å; L67-T89 PolarHBondContact N-O 2.98Å; L67-L90 HydrophobicContact CB-CD1 3.89Å; L67-L90 HydrophobicContact CD2-CD1 3.84Å; L67-L90 HydrophobicContact CG-CD1 3.94Å; L67-L90 WeakPolarHBondContact O-CA 3.46Å; L67-S91 PolarHBondContact O-N 2.82Å
68	S	98.7	Very high	98	Very high	12 Å²	12	35.2 Å²	35.2	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	174.2	-171.2	0	0	0	0	110.9	I43 L45 S46 N70	I43-S68 PolarHBondContact O-N 2.77Å; L45-S68 PolarHBondContact N-O 3.49Å; S46-S68 PolarHBondContact OG-OG 2.99Å; S68-N70 PolarHBondContact OG-ND2 3.41Å
69	L	98.5	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.			trans	-132.4	26.6	-179	-73.7	161.6	0	0	0	110.4	L45 I50 L53 L67 N72 L74 S91 L92 N95	L45-L69 HydrophobicContact CB-CD2 3.88Å; L45-L69 HydrophobicContact CD1-CD2 4.21Å; I50-L69 HydrophobicContact CD1-CD2 4.38Å; L53-L69 HydrophobicContact CD1-CD1 3.7Å; L53-L69 HydrophobicContact CD2-CD1 3.76Å; L53-L69 HydrophobicContact CD2-CD2 4.02Å; L53-L69 HydrophobicContact CG-CD1 4.27Å; L67-L69 HydrophobicContact CD1-CD1 3.99Å; L67-L69 HydrophobicContact CD1-CG 4.07Å; L67-L69 HydrophobicContact CD2-CD1 3.85Å; L67-L69 HydrophobicContact CG-CD1 3.85Å; L67-L69 HydrophobicContact CG-CG 4.23Å; L69-N72 PolarHBondContact O-ND2 2.92Å; L69-L74 HydrophobicContact CB-CD1 3.97Å; L69-L74 HydrophobicContact CD1-CD1 4.03Å; L69-L74 HydrophobicContact CG-CD1 4.45Å; L69-S91 PolarHBondContact N-O 2.85Å; L69-L92 HydrophobicContact CB-CD2 3.82Å; L69-L92 HydrophobicContact CD1-CD2 4.02Å; L69-N95 PolarHBondContact O-ND2 3.39Å
70	N	98.8	Very high	98.2	Very high	28 Å²	28	41.3 Å²	41.3	15%	0.15	22%	0.218	C	C	.	.			trans	-59	149	-179.9	-62.8	-34.9	0	0	0	111.7	S46 N47 S68 N72 S91 L92 N93	S46-N70 CarbonylContact C-O 3.55Å; S46-N70 WeakPolarHBondContact CA-O 3.34Å; N47-N70 PolarHBondContact N-O 3.22Å; S68-N70 PolarHBondContact OG-ND2 3.41Å; N70-N72 PolarHBondContact O-ND2 3.48Å; N70-S91 VanDerWaalsContact OD1-CB 3.26Å; N70-S91 WeakPolarHBondContact OD1-CB 3.28Å; N70-S91 PolarHBondContact OD1-O 3.17Å; N70-L92 PolarHBondContact OD1-N 3.44Å; N70-N93 CarbonylContact C-O 3.55Å; N70-N93 VanDerWaalsContact CA-O 3.25Å; N70-N93 WeakPolarHBondContact CA-O 3.02Å; N70-N93 HydrophobicContact CB-CB 4.42Å; N70-N93 WeakPolarHBondContact OD1-CB 3.15Å; N70-N93 PolarHBondContact OD1-N 3.43Å
71	N	98.6	Very high	98.2	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	20%	0.198	S	C	.	.	S	Bend	trans	52.8	57	177.4	-50.8	-63.7	0	0	0	111.6	N47 N48 N93 N94	N47-N71 WeakPolarHBondContact CA-O 3.21Å; N47-N71 PolarHBondContact N-O 2.91Å; N47-N71 WeakPolarHBondContact OD1-CB 3.11Å; N47-N71 PolarHBondContact OD1-ND2 3.26Å; N48-N71 PolarHBondContact N-O 2.78Å; N48-N71 VanDerWaalsContact O-O 3.08Å; N71-N93 PolarHBondContact N-O 3.34Å; N71-N94 WeakPolarHBondContact CA-O 3.15Å; N71-N94 WeakPolarHBondContact OD1-CB 3.38Å; N71-N94 PolarHBondContact OD1-ND2 3.04Å
72	N	98.6	Very high	98.1	Very high	8 Å²	8	37 Å²	37	4%	0.043	20%	0.201	C	C	.	.	S	Bend	trans	-123.3	-163.2	171.3	-84.4	-76.4	0	0	0	108.5	L45 N48 K49 I50 L69 N70 L74 N94 N95	L45-N72 PolarHBondContact O-ND2 2.96Å; N48-N72 WeakPolarHBondContact CA-OD1 3.08Å; N48-N72 WeakPolarHBondContact CB-OD1 3.35Å; N48-N72 PolarHBondContact O-OD1 2.81Å; K49-N72 PolarHBondContact N-OD1 3.15Å; I50-N72 HydrophobicContact CB-CB 4.44Å; I50-N72 WeakPolarHBondContact CB-OD1 3.28Å; I50-N72 WeakPolarHBondContact CG1-OD1 3.46Å; I50-N72 PolarHBondContact N-OD1 3.22Å; L69-N72 PolarHBondContact O-ND2 2.92Å; N70-N72 PolarHBondContact O-ND2 3.48Å; N72-L74 HydrophobicContact CB-CG 4.38Å; N72-N94 PolarHBondContact N-O 3.38Å; N72-N95 WeakPolarHBondContact CA-OD1 3.29Å; N72-N95 WeakPolarHBondContact CB-OD1 3.31Å; N72-N95 PolarHBondContact O-OD1 3.38Å
73	K	98.4	Very high	98.2	Very high	87 Å²	87	36.8 Å²	36.8	38%	0.378	20%	0.197	S	C	.	.			trans	-121.6	27.1	-178.3	-63.7	-176.3	176.2	-172.6	0	112.2	I50 E51 T75 N95	I50-K73 CarbonylContact O-C 3.42Å; I50-K73 WeakPolarHBondContact O-CA 3.33Å; I50-K73 PolarHBondContact O-N 3.03Å; E51-K73 HydrophobicContact CG-CB 3.89Å; E51-K73 HydrophobicContact CG-CD 4.17Å; K73-T75 PolarHBondContact O-N 3.38Å; K73-N95 PolarHBondContact N-OD1 3.02Å
74	L	98.5	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.			trans	-63.3	123.8	-176.1	-62.2	171.9	0	0	0	110.1	I50 L53 L69 N72 L77 L92 N95 H96 L97	I50-L74 HydrophobicContact CG2-CD2 4.07Å; I50-L74 PolarHBondContact O-N 2.9Å; L53-L74 HydrophobicContact CD2-CD2 4.26Å; L53-L74 HydrophobicContact CG-CD2 4.06Å; L69-L74 HydrophobicContact CB-CD1 3.97Å; L69-L74 HydrophobicContact CD1-CD1 4.03Å; L69-L74 HydrophobicContact CG-CD1 4.45Å; N72-L74 HydrophobicContact CB-CG 4.38Å; L74-L77 HydrophobicContact CD1-CD2 4.44Å; L74-L92 HydrophobicContact CD1-CD2 3.65Å; L74-N95 HydrophobicContact CB-CB 4.2Å; L74-N95 WeakPolarHBondContact CB-OD1 3.13Å; L74-N95 WeakPolarHBondContact CG-OD1 3.35Å; L74-N95 PolarHBondContact N-OD1 3.36Å; L74-H96 CarbonylContact O-C 3.55Å; L74-H96 VanDerWaalsContact O-CA 3.31Å; L74-H96 WeakPolarHBondContact O-CA 3.4Å; L74-H96 PolarHBondContact O-N 3.29Å; L74-L97 HydrophobicContact CB-CD2 4.14Å; L74-L97 PolarHBondContact O-N 3.45Å
75	T	97.9	Very high	98.2	Very high	85 Å²	85	38.2 Å²	38.2	52%	0.521	20%	0.201	S	C	.	.			trans	-97.9	-25.5	176	53.8	0	0	0	0	112.5	K73 H96	K73-T75 PolarHBondContact O-N 3.38Å; T75-H96 HydrophobicContact CG2-CB 4.13Å
76	V	97.3	Very high	98.1	Very high	73 Å²	73	39.2 Å²	39.2	44%	0.442	21%	0.205	S	C	.	.			trans	-147	153.5	179.8	66.6	0	0	0	0	110.4
77	L	98.2	Very high	98.1	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.194	C	C	.	.			trans	-103.7	137.2	165.7	-59.9	174.1	0	0	0	109.4	L53 L74 L92 L97 L100 P101 F104	L53-L77 HydrophobicContact CD1-CD2 4.1Å; L74-L77 HydrophobicContact CD1-CD2 4.44Å; L77-L92 HydrophobicContact CD1-CD1 3.59Å; L77-L92 HydrophobicContact CD2-CD1 4.01Å; L77-L92 HydrophobicContact CD2-CD2 3.92Å; L77-L92 HydrophobicContact CG-CD1 4.33Å; L77-L97 HydrophobicContact CD1-CD1 4.47Å; L77-L97 HydrophobicContact CD2-CD2 4.36Å; L77-L97 HydrophobicContact CG-CD1 4.36Å; L77-L97 HydrophobicContact CG-CD2 4.06Å; L77-L100 HydrophobicContact CD1-CD2 3.99Å; L77-P101 HydrophobicContact CB-CG 4.12Å; L77-F104 HydrophobicContact CD1-CD2 4.42Å; L77-F104 HydrophobicContact CD1-CE2 4.03Å
78	P	97.7	Very high	98.1	Very high	16 Å²	16	40 Å²	40	10%	0.104	21%	0.205	C	C	.	.			trans	-67.4	148.4	174.1	29.5	-35	0	0	0	111.2	L53 P55 I58 E80 I81	L53-P78 HydrophobicContact CB-CG 3.99Å; P55-P78 HydrophobicContact CB-CB 3.71Å; P55-P78 HydrophobicContact CG-CB 3.91Å; I58-P78 HydrophobicContact CG2-CG 3.64Å; P78-E80 PolarHBondContact O-N 2.77Å; P78-I81 WeakPolarHBondContact O-CB 3.31Å; P78-I81 VanDerWaalsContact O-CG2 3.23Å; P78-I81 WeakPolarHBondContact O-CG2 3.24Å; P78-I81 PolarHBondContact O-N 3.31Å; P78-I81 VanDerWaalsContact O-N 3.08Å
79	D	97.8	Very high	98.1	Very high	78 Å²	78	41.5 Å²	41.5	42%	0.417	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.4	-30.3	177.9	-78.1	-31.7	0	0	0	112	I81 C82 P101 T103	D79-I81 PolarHBondContact O-N 2.82Å; D79-I81 VanDerWaalsContact O-N 3.09Å; D79-C82 VanDerWaalsContact O-CB 3.24Å; D79-C82 WeakPolarHBondContact O-CB 3.35Å; D79-C82 PolarHBondContact O-N 3.3Å; D79-C82 PolarHBondContact O-SG 2.62Å; D79-P101 WeakPolarHBondContact OD1-CB 3.27Å; D79-T103 HydrophobicContact CB-CG2 4.27Å; D79-T103 PolarHBondContact O-OG1 2.97Å; D79-T103 PolarHBondContact OD1-OG1 2.98Å
80	E	98.1	Very high	98.2	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.1	-11.8	179.1	-67.6	87.1	157.2	0	0	113.5	P55 G59 P78 C82 N83	P55-E80 VanDerWaalsContact CB-CD 3.46Å; P55-E80 HydrophobicContact CB-CG 4.37Å; P55-E80 WeakPolarHBondContact CB-OE1 3.34Å; P55-E80 VanDerWaalsContact CB-OE2 3.32Å; P55-E80 WeakPolarHBondContact CB-OE2 3.5Å; P55-E80 VanDerWaalsContact O-CB 3.25Å; P55-E80 WeakPolarHBondContact O-CB 3.44Å; G59-E80 WeakPolarHBondContact CA-O 3.37Å; P78-E80 PolarHBondContact O-N 2.77Å; E80-C82 PolarHBondContact O-N 2.95Å; E80-C82 VanDerWaalsContact O-N 3.16Å; E80-N83 VanDerWaalsContact O-CB 3.31Å; E80-N83 WeakPolarHBondContact O-CB 3.36Å; E80-N83 PolarHBondContact O-N 3.06Å
81	I	97.9	Very high	98.2	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.7	168.1	-160	73.2	0	0	0	110.7	I58 L67 P78 D79 N83 L84 P101 F104 L107	I58-I81 HydrophobicContact CG1-CD1 3.84Å; L67-I81 HydrophobicContact CD2-CD1 3.93Å; P78-I81 WeakPolarHBondContact O-CB 3.31Å; P78-I81 VanDerWaalsContact O-CG2 3.23Å; P78-I81 WeakPolarHBondContact O-CG2 3.24Å; P78-I81 PolarHBondContact O-N 3.31Å; P78-I81 VanDerWaalsContact O-N 3.08Å; D79-I81 PolarHBondContact O-N 2.82Å; D79-I81 VanDerWaalsContact O-N 3.09Å; I81-N83 PolarHBondContact O-N 2.82Å; I81-N83 VanDerWaalsContact O-N 3.11Å; I81-L84 HydrophobicContact CD1-CD1 3.64Å; I81-L84 HydrophobicContact CG1-CD1 4.26Å; I81-L84 WeakPolarHBondContact O-CB 3.37Å; I81-L84 VanDerWaalsContact O-CG 3.32Å; I81-L84 WeakPolarHBondContact O-CG 3.29Å; I81-L84 PolarHBondContact O-N 2.93Å; I81-L84 VanDerWaalsContact O-N 3.11Å; I81-P101 HydrophobicContact CG2-CG 3.93Å; I81-F104 HydrophobicContact CG2-CD2 4.35Å; I81-L107 VanDerWaalsContact O-CD2 3.27Å; I81-L107 WeakPolarHBondContact O-CD2 3.38Å
82	C	96.7	Very high	98.2	Very high	10 Å²	10	38 Å²	38	7%	0.068	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18	179.3	84.2	0	0	0	0	113.5	D79 E80 L84 K85 T103 Q106	D79-C82 VanDerWaalsContact O-CB 3.24Å; D79-C82 WeakPolarHBondContact O-CB 3.35Å; D79-C82 PolarHBondContact O-N 3.3Å; D79-C82 PolarHBondContact O-SG 2.62Å; E80-C82 PolarHBondContact O-N 2.95Å; E80-C82 VanDerWaalsContact O-N 3.16Å; C82-L84 PolarHBondContact O-N 3.03Å; C82-K85 WeakPolarHBondContact O-CD 3.36Å; C82-K85 VanDerWaalsContact O-CE 3.24Å; C82-K85 WeakPolarHBondContact O-CE 3.23Å; C82-K85 PolarHBondContact O-NZ 2.93Å; C82-T103 WeakPolarHBondContact CB-O 3.03Å; C82-Q106 HydrophobicContact CB-CB 4.2Å
83	N	98.1	Very high	98.2	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-72.3	-14.2	177.2	-68.2	-30.2	0	0	0	112.8	G59 E80 I81 K85	G59-N83 WeakPolarHBondContact O-CB 3.39Å; E80-N83 VanDerWaalsContact O-CB 3.31Å; E80-N83 WeakPolarHBondContact O-CB 3.36Å; E80-N83 PolarHBondContact O-N 3.06Å; I81-N83 PolarHBondContact O-N 2.82Å; I81-N83 VanDerWaalsContact O-N 3.11Å; N83-K85 PolarHBondContact O-N 2.87Å
84	L	98.1	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.			trans	-77.5	62.4	178.3	-53.5	-176.8	0	0	0	111.4	I58 F61 L64 L67 I81 C82 K86 L87 L107	I58-L84 HydrophobicContact CG1-CD1 4.49Å; I58-L84 WeakPolarHBondContact O-CD2 3.44Å; F61-L84 HydrophobicContact CB-CD2 3.99Å; F61-L84 WeakPolarHBondContact O-CD2 3.5Å; L64-L84 HydrophobicContact CB-CD2 4.43Å; L64-L84 HydrophobicContact CD2-CD1 4.14Å; L67-L84 HydrophobicContact CD2-CD1 4.4Å; I81-L84 HydrophobicContact CD1-CD1 3.64Å; I81-L84 HydrophobicContact CG1-CD1 4.26Å; I81-L84 WeakPolarHBondContact O-CB 3.37Å; I81-L84 VanDerWaalsContact O-CG 3.32Å; I81-L84 WeakPolarHBondContact O-CG 3.29Å; I81-L84 PolarHBondContact O-N 2.93Å; I81-L84 VanDerWaalsContact O-N 3.11Å; C82-L84 PolarHBondContact O-N 3.03Å; L84-K86 PolarHBondContact O-N 3.43Å; L84-L87 HydrophobicContact CB-CB 3.88Å; L84-L87 HydrophobicContact CB-CD2 4.33Å; L84-L87 HydrophobicContact CD1-CD2 4.11Å; L84-L87 WeakPolarHBondContact O-CB 3.4Å; L84-L87 PolarHBondContact O-N 3.17Å; L84-L107 HydrophobicContact CB-CD2 4.2Å
85	K	97.4	Very high	98.2	Very high	86 Å²	86	38.8 Å²	38.8	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.9	-173.8	-59	-53.9	-174.8	-162.2	0	114.7	C82 N83 Q106 A109	C82-K85 WeakPolarHBondContact O-CD 3.36Å; C82-K85 VanDerWaalsContact O-CE 3.24Å; C82-K85 WeakPolarHBondContact O-CE 3.23Å; C82-K85 PolarHBondContact O-NZ 2.93Å; N83-K85 PolarHBondContact O-N 2.87Å; K85-Q106 VanDerWaalsContact NZ-CB 3.28Å; K85-Q106 PolarHBondContact NZ-O 2.78Å; K85-A109 WeakPolarHBondContact O-CB 3.5Å
86	K	98.3	Very high	98.2	Very high	109 Å²	109	38.6 Å²	38.6	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	1.9	176.6	-65.9	-172.8	179.8	178.3	0	113.6	L63 L64 L84 E88	L63-K86 HydrophobicContact CD2-CD 4.22Å; L64-K86 CarbonylContact O-C 3.12Å; L84-K86 PolarHBondContact O-N 3.43Å; K86-E88 WeakPolarHBondContact O-CG 3.41Å; K86-E88 PolarHBondContact O-N 3.25Å
87	L	98.7	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.			trans	-69	118.6	-177.6	-167.4	70.8	0	0	0	109.7	L64 L67 L84 L90 L107 A109 L110	L64-L87 HydrophobicContact CD2-CD1 4.15Å; L64-L87 HydrophobicContact CG-CD1 4.22Å; L64-L87 VanDerWaalsContact O-CA 3.31Å; L64-L87 WeakPolarHBondContact O-CA 3.38Å; L64-L87 PolarHBondContact O-N 2.77Å; L64-L87 VanDerWaalsContact O-N 3.13Å; L67-L87 HydrophobicContact CB-CD1 3.92Å; L84-L87 HydrophobicContact CB-CB 3.88Å; L84-L87 HydrophobicContact CB-CD2 4.33Å; L84-L87 HydrophobicContact CD1-CD2 4.11Å; L84-L87 WeakPolarHBondContact O-CB 3.4Å; L84-L87 PolarHBondContact O-N 3.17Å; L87-L90 HydrophobicContact CD2-CB 4.03Å; L87-L90 HydrophobicContact CD2-CD1 4.28Å; L87-L90 HydrophobicContact CD2-CD2 4.4Å; L87-L90 HydrophobicContact CD2-CG 4.47Å; L87-L107 HydrophobicContact CD2-CD2 4.36Å; L87-A109 CarbonylContact O-C 3.14Å; L87-L110 HydrophobicContact CD2-CD1 4.28Å; L87-L110 HydrophobicContact CG-CD1 4.22Å; L87-L110 VanDerWaalsContact O-CA 3.24Å; L87-L110 WeakPolarHBondContact O-CA 3.3Å; L87-L110 PolarHBondContact O-N 3.25Å; L87-L110 VanDerWaalsContact O-N 3.12Å
88	E	98.8	Very high	98.3	Very high	48 Å²	48	43.6 Å²	43.6	22%	0.224	21%	0.209	C	C	.	.			trans	-101.6	-32.9	-179.7	-56.4	-174.6	-141.4	0	0	110.9	K65 K86 K111 T112	K65-E88 IonicContact NZ-OE1 2.85Å; K65-E88 PolarHBondContact NZ-OE1 3.24Å; K65-E88 PolarHBondContact O-N 3.33Å; K86-E88 WeakPolarHBondContact O-CG 3.41Å; K86-E88 PolarHBondContact O-N 3.25Å; E88-K111 PolarHBondContact O-N 2.88Å; E88-K111 IonicContact OE2-NZ 2.77Å; E88-K111 PolarHBondContact OE2-NZ 2.84Å; E88-T112 PolarHBondContact O-N 2.95Å
89	T	98.9	Very high	98.3	Very high	45 Å²	45	49.3 Å²	49.3	28%	0.276	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.9	-179	-53.7	0	0	0	0	111.3	K65 S66 L67 T112	K65-T89 PolarHBondContact O-N 3.28Å; S66-T89 WeakPolarHBondContact CA-O 3.37Å; L67-T89 PolarHBondContact N-O 2.98Å; T89-T112 WeakPolarHBondContact CA-O 3.48Å; T89-T112 HydrophobicContact CG2-CG2 4.41Å
90	L	98.8	Very high	98.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.2	172.3	-178.5	59.7	0	0	0	110.2	L67 L87 L92 F104 L110 T112 L113 S114	L67-L90 HydrophobicContact CB-CD1 3.89Å; L67-L90 HydrophobicContact CD2-CD1 3.84Å; L67-L90 HydrophobicContact CG-CD1 3.94Å; L67-L90 WeakPolarHBondContact O-CA 3.46Å; L87-L90 HydrophobicContact CD2-CB 4.03Å; L87-L90 HydrophobicContact CD2-CD1 4.28Å; L87-L90 HydrophobicContact CD2-CD2 4.4Å; L87-L90 HydrophobicContact CD2-CG 4.47Å; L90-L92 HydrophobicContact CD1-CD1 4.05Å; L90-L92 HydrophobicContact CD1-CG 4.05Å; L90-L92 HydrophobicContact CD2-CD1 3.67Å; L90-L92 HydrophobicContact CG-CD1 3.73Å; L90-L92 HydrophobicContact CG-CG 4.04Å; L90-F104 HydrophobicContact CD2-CE2 3.79Å; L90-F104 HydrophobicContact CD2-CZ 3.84Å; L90-L110 HydrophobicContact CB-CD1 3.88Å; L90-T112 PolarHBondContact N-O 3.11Å; L90-L113 HydrophobicContact CB-CD1 4.08Å; L90-L113 HydrophobicContact CD2-CD1 3.99Å; L90-L113 HydrophobicContact CG-CD1 4.13Å; L90-L113 WeakPolarHBondContact O-CA 3.37Å; L90-S114 PolarHBondContact O-N 3.3Å
91	S	98.8	Very high	98.3	Very high	18 Å²	18	43.7 Å²	43.7	13%	0.126	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.2	178.5	-55.5	0	0	0	0	110.7	L67 L69 N70	L67-S91 PolarHBondContact O-N 2.82Å; L69-S91 PolarHBondContact N-O 2.85Å; N70-S91 VanDerWaalsContact OD1-CB 3.26Å; N70-S91 WeakPolarHBondContact OD1-CB 3.28Å; N70-S91 PolarHBondContact OD1-O 3.17Å
92	L	98.8	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.			trans	-132.8	24.9	-173.8	-71.5	164.8	0	0	0	111.3	L69 N70 L74 L77 L90 N95 L97 S114 L115 N118	L69-L92 HydrophobicContact CB-CD2 3.82Å; L69-L92 HydrophobicContact CD1-CD2 4.02Å; N70-L92 PolarHBondContact OD1-N 3.44Å; L74-L92 HydrophobicContact CD1-CD2 3.65Å; L77-L92 HydrophobicContact CD1-CD1 3.59Å; L77-L92 HydrophobicContact CD2-CD1 4.01Å; L77-L92 HydrophobicContact CD2-CD2 3.92Å; L77-L92 HydrophobicContact CG-CD1 4.33Å; L90-L92 HydrophobicContact CD1-CD1 4.05Å; L90-L92 HydrophobicContact CD1-CG 4.05Å; L90-L92 HydrophobicContact CD2-CD1 3.67Å; L90-L92 HydrophobicContact CG-CD1 3.73Å; L90-L92 HydrophobicContact CG-CG 4.04Å; L92-N95 PolarHBondContact O-ND2 3.32Å; L92-L97 HydrophobicContact CB-CD1 4.11Å; L92-L97 HydrophobicContact CD1-CD1 4.01Å; L92-L97 HydrophobicContact CG-CD1 4.47Å; L92-S114 CarbonylContact C-O 3.12Å; L92-S114 WeakPolarHBondContact CA-O 3.27Å; L92-S114 PolarHBondContact N-O 2.76Å; L92-L115 HydrophobicContact CB-CD2 3.84Å; L92-L115 HydrophobicContact CD1-CD2 3.9Å; L92-N118 PolarHBondContact O-ND2 3.08Å
93	N	98.8	Very high	98.2	Very high	33 Å²	33	48.8 Å²	48.8	18%	0.176	24%	0.241	C	C	.	.			trans	-60.5	148.5	-178.1	-63.4	-32.3	0	0	0	111.1	N70 N71 N95 S114 L115 S116	N70-N93 CarbonylContact C-O 3.55Å; N70-N93 VanDerWaalsContact CA-O 3.25Å; N70-N93 WeakPolarHBondContact CA-O 3.02Å; N70-N93 HydrophobicContact CB-CB 4.42Å; N70-N93 WeakPolarHBondContact OD1-CB 3.15Å; N70-N93 PolarHBondContact OD1-N 3.43Å; N71-N93 PolarHBondContact N-O 3.34Å; N93-N95 PolarHBondContact O-ND2 3.3Å; N93-S114 WeakPolarHBondContact ND2-CB 3.22Å; N93-S114 WeakPolarHBondContact OD1-CB 3.37Å; N93-S114 PolarHBondContact OD1-O 3.02Å; N93-L115 PolarHBondContact OD1-N 3.2Å; N93-S116 CarbonylContact C-O 3.03Å; N93-S116 WeakPolarHBondContact CA-O 3.41Å; N93-S116 WeakPolarHBondContact OD1-CB 3.26Å; N93-S116 PolarHBondContact OD1-N 2.94Å
94	N	98.8	Very high	98.2	Very high	76 Å²	76	45.4 Å²	45.4	41%	0.406	22%	0.223	S	C	.	.	S	Bend	trans	53.1	61	176.6	-56	-39.3	0	0	0	111.9	N71 N72 S116 G117	N71-N94 WeakPolarHBondContact CA-O 3.15Å; N71-N94 WeakPolarHBondContact OD1-CB 3.38Å; N71-N94 PolarHBondContact OD1-ND2 3.04Å; N72-N94 PolarHBondContact N-O 3.38Å; N94-S116 PolarHBondContact N-O 3.27Å; N94-G117 VanDerWaalsContact CA-O 3.23Å; N94-G117 WeakPolarHBondContact CA-O 3.34Å
95	N	98.8	Very high	98.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.23	C	C	.	.	S	Bend	trans	-125.2	-163.3	171.4	-82.8	-80.1	0	0	0	108.6	L69 N72 K73 L74 L92 N93 L97 G117 N118	L69-N95 PolarHBondContact O-ND2 3.39Å; N72-N95 WeakPolarHBondContact CA-OD1 3.29Å; N72-N95 WeakPolarHBondContact CB-OD1 3.31Å; N72-N95 PolarHBondContact O-OD1 3.38Å; K73-N95 PolarHBondContact N-OD1 3.02Å; L74-N95 HydrophobicContact CB-CB 4.2Å; L74-N95 WeakPolarHBondContact CB-OD1 3.13Å; L74-N95 WeakPolarHBondContact CG-OD1 3.35Å; L74-N95 PolarHBondContact N-OD1 3.36Å; L92-N95 PolarHBondContact O-ND2 3.32Å; N93-N95 PolarHBondContact O-ND2 3.3Å; N95-L97 HydrophobicContact CB-CG 4.34Å; N95-G117 PolarHBondContact N-O 2.94Å; N95-N118 WeakPolarHBondContact CA-OD1 3.18Å; N95-N118 WeakPolarHBondContact CB-OD1 3.23Å; N95-N118 PolarHBondContact O-OD1 2.52Å
96	H	98.6	Very high	98.1	Very high	81 Å²	81	46.6 Å²	46.6	38%	0.375	23%	0.234	S	C	.	.			trans	-122.1	28.9	-178.9	-57.6	-37.1	0	0	0	111.8	L74 T75 R98 N118	L74-H96 CarbonylContact O-C 3.55Å; L74-H96 VanDerWaalsContact O-CA 3.31Å; L74-H96 WeakPolarHBondContact O-CA 3.4Å; L74-H96 PolarHBondContact O-N 3.29Å; T75-H96 HydrophobicContact CG2-CB 4.13Å; H96-R98 PolarHBondContact O-N 3.16Å; H96-N118 PolarHBondContact N-OD1 3.04Å
97	L	98.6	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.			trans	-67.4	130.5	-178	-61.6	173	0	0	0	110.4	L74 L77 L92 N95 L115 N118 Q119 L120	L74-L97 HydrophobicContact CB-CD2 4.14Å; L74-L97 PolarHBondContact O-N 3.45Å; L77-L97 HydrophobicContact CD1-CD1 4.47Å; L77-L97 HydrophobicContact CD2-CD2 4.36Å; L77-L97 HydrophobicContact CG-CD1 4.36Å; L77-L97 HydrophobicContact CG-CD2 4.06Å; L92-L97 HydrophobicContact CB-CD1 4.11Å; L92-L97 HydrophobicContact CD1-CD1 4.01Å; L92-L97 HydrophobicContact CG-CD1 4.47Å; N95-L97 HydrophobicContact CB-CG 4.34Å; L97-L115 HydrophobicContact CD1-CD2 3.68Å; L97-N118 HydrophobicContact CB-CB 4.28Å; L97-N118 WeakPolarHBondContact CB-OD1 3.15Å; L97-N118 WeakPolarHBondContact CG-OD1 3.39Å; L97-N118 PolarHBondContact N-OD1 2.92Å; L97-Q119 CarbonylContact O-C 3.29Å; L97-Q119 VanDerWaalsContact O-C 3.23Å; L97-Q119 VanDerWaalsContact O-CA 3.3Å; L97-Q119 WeakPolarHBondContact O-CA 3.12Å; L97-Q119 PolarHBondContact O-N 2.96Å; L97-L120 PolarHBondContact O-N 3.09Å
98	R	98.3	Very high	97.9	Very high	182 Å²	182	44.7 Å²	44.7	69%	0.687	24%	0.235	S	C	*	.			trans	-102.8	-23.2	176.1	-66.4	-179.4	-179.2	179.3	1	113.5	H96 Q119 L120	H96-R98 PolarHBondContact O-N 3.16Å; R98-Q119 HydrophobicContact CG-CB 3.92Å; R98-L120 VanDerWaalsContact C-CD2 3.49Å; R98-L120 WeakPolarHBondContact O-CD2 3.11Å
99	E	97.9	Very high	97.8	Very high	135 Å²	135	43.8 Å²	43.8	63%	0.631	24%	0.235	S	C	*	.			trans	-152.8	168.4	178.1	61.7	-175.9	-164.4	0	0	110.8
100	L	98	Very high	97.8	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	22%	0.222	C	C	.	.			trans	-104.9	148.7	168.1	-62	-179.4	0	0	0	109.2	L77 F104 L115 P124 L127	L77-L100 HydrophobicContact CD1-CD2 3.99Å; L100-F104 HydrophobicContact CB-CB 4.18Å; L100-F104 HydrophobicContact CB-CD2 4.22Å; L100-F104 HydrophobicContact CB-CG 4.1Å; L100-F104 HydrophobicContact CD1-CD1 3.84Å; L100-F104 HydrophobicContact CD1-CD2 4.34Å; L100-F104 HydrophobicContact CD1-CE1 3.85Å; L100-F104 HydrophobicContact CD1-CE2 4.34Å; L100-F104 HydrophobicContact CD1-CG 4.09Å; L100-F104 HydrophobicContact CD1-CZ 4.1Å; L100-F104 HydrophobicContact CD2-CD2 4.33Å; L100-F104 HydrophobicContact CD2-CE2 4.16Å; L100-L115 HydrophobicContact CD1-CD1 3.91Å; L100-L115 HydrophobicContact CD2-CD1 4.05Å; L100-L115 HydrophobicContact CD2-CD2 4.1Å; L100-L115 HydrophobicContact CG-CD1 4.41Å; L100-P124 HydrophobicContact CB-CB 4.44Å; L100-P124 HydrophobicContact CD1-CB 3.74Å; L100-P124 HydrophobicContact CD1-CG 3.88Å; L100-P124 HydrophobicContact CG-CB 4.15Å; L100-P124 HydrophobicContact CG-CG 4.16Å; L100-L127 HydrophobicContact CD1-CD2 4.27Å
101	P	97.1	Very high	97.8	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.078	24%	0.239	C	C	.	.			trans	-59	149.8	179.7	19.5	-29.4	0	0	0	111.4	L77 D79 I81 T103 F104	L77-P101 HydrophobicContact CB-CG 4.12Å; D79-P101 WeakPolarHBondContact OD1-CB 3.27Å; I81-P101 HydrophobicContact CG2-CG 3.93Å; P101-T103 PolarHBondContact O-N 2.9Å; P101-T103 VanDerWaalsContact O-N 3.09Å; P101-F104 HydrophobicContact CG-CB 4.13Å; P101-F104 HydrophobicContact CG-CD2 4.06Å; P101-F104 WeakPolarHBondContact O-CB 3.25Å; P101-F104 PolarHBondContact O-N 3.12Å
102	S	95.6	Very high	97.8	Very high	93 Å²	93	46.7 Å²	46.7	65%	0.65	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.5	-179	67.1	0	0	0	0	112.8	F104	S102-F104 VanDerWaalsContact C-N 3.34Å
103	T	96.7	Very high	97.8	Very high	25 Å²	25	46.7 Å²	46.7	15%	0.153	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.3	178.7	62.1	0	0	0	0	114	D79 C82 P101 G105 Q106	D79-T103 HydrophobicContact CB-CG2 4.27Å; D79-T103 PolarHBondContact O-OG1 2.97Å; D79-T103 PolarHBondContact OD1-OG1 2.98Å; C82-T103 WeakPolarHBondContact CB-O 3.03Å; P101-T103 PolarHBondContact O-N 2.9Å; P101-T103 VanDerWaalsContact O-N 3.09Å; T103-G105 PolarHBondContact O-N 3.43Å; T103-G105 VanDerWaalsContact O-N 3.14Å; T103-Q106 WeakPolarHBondContact O-CB 3.48Å; T103-Q106 VanDerWaalsContact O-CG 3.29Å; T103-Q106 WeakPolarHBondContact O-CG 3.08Å; T103-Q106 PolarHBondContact O-N 2.8Å
104	F	97.6	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-58.2	-32.8	-174.1	-165	-90.4	0	0	0	112.9	L77 I81 L90 L100 P101 S102 Q106 L107 L110 L113 Q126 L127 L130	L77-F104 HydrophobicContact CD1-CD2 4.42Å; L77-F104 HydrophobicContact CD1-CE2 4.03Å; I81-F104 HydrophobicContact CG2-CD2 4.35Å; L90-F104 HydrophobicContact CD2-CE2 3.79Å; L90-F104 HydrophobicContact CD2-CZ 3.84Å; L100-F104 HydrophobicContact CB-CB 4.18Å; L100-F104 HydrophobicContact CB-CD2 4.22Å; L100-F104 HydrophobicContact CB-CG 4.1Å; L100-F104 HydrophobicContact CD1-CD1 3.84Å; L100-F104 HydrophobicContact CD1-CD2 4.34Å; L100-F104 HydrophobicContact CD1-CE1 3.85Å; L100-F104 HydrophobicContact CD1-CE2 4.34Å; L100-F104 HydrophobicContact CD1-CG 4.09Å; L100-F104 HydrophobicContact CD1-CZ 4.1Å; L100-F104 HydrophobicContact CD2-CD2 4.33Å; L100-F104 HydrophobicContact CD2-CE2 4.16Å; P101-F104 HydrophobicContact CG-CB 4.13Å; P101-F104 HydrophobicContact CG-CD2 4.06Å; P101-F104 WeakPolarHBondContact O-CB 3.25Å; P101-F104 PolarHBondContact O-N 3.12Å; S102-F104 VanDerWaalsContact C-N 3.34Å; F104-Q106 PolarHBondContact O-N 2.87Å; F104-L107 HydrophobicContact CD1-CD1 4.36Å; F104-L107 HydrophobicContact CD2-CD1 3.98Å; F104-L107 HydrophobicContact CE1-CD1 4.11Å; F104-L107 HydrophobicContact CE2-CD1 3.72Å; F104-L107 HydrophobicContact CG-CD1 4.3Å; F104-L107 HydrophobicContact CZ-CD1 3.79Å; F104-L107 PolarHBondContact O-N 2.58Å; F104-L110 HydrophobicContact CE1-CD2 4.04Å; F104-L110 HydrophobicContact CZ-CD2 4.13Å; F104-L113 HydrophobicContact CE1-CD2 3.74Å; F104-L113 HydrophobicContact CZ-CD1 3.85Å; F104-L113 HydrophobicContact CZ-CD2 3.91Å; F104-Q126 HydrophobicContact CB-CB 4.07Å; F104-Q126 HydrophobicContact CB-CG 4.43Å; F104-L127 HydrophobicContact CD1-CD2 4.44Å; F104-L127 HydrophobicContact CE1-CD2 4.15Å; F104-L130 HydrophobicContact CD1-CD1 4.15Å; F104-L130 HydrophobicContact CE1-CD1 4.01Å
105	G	96.1	Very high	97.8	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-61.2	-10.4	175.9	0	0	0	0	0	115	T103 L107 Q126 L130	T103-G105 PolarHBondContact O-N 3.43Å; T103-G105 VanDerWaalsContact O-N 3.14Å; G105-L107 VanDerWaalsContact C-N 3.35Å; G105-Q126 WeakPolarHBondContact CA-O 3.2Å; G105-L130 WeakPolarHBondContact O-CD2 3.42Å
106	Q	97.3	Very high	97.8	Very high	97 Å²	97	43 Å²	43	45%	0.453	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-87.9	1.8	177.9	-49.1	177.3	12.2	0	0	114.2	C82 K85 T103 F104 S108	C82-Q106 HydrophobicContact CB-CB 4.2Å; K85-Q106 VanDerWaalsContact NZ-CB 3.28Å; K85-Q106 PolarHBondContact NZ-O 2.78Å; T103-Q106 WeakPolarHBondContact O-CB 3.48Å; T103-Q106 VanDerWaalsContact O-CG 3.29Å; T103-Q106 WeakPolarHBondContact O-CG 3.08Å; T103-Q106 PolarHBondContact O-N 2.8Å; F104-Q106 PolarHBondContact O-N 2.87Å; Q106-S108 PolarHBondContact O-N 2.83Å
107	L	97.9	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.			trans	-74.5	65.5	172.9	-69.6	174.4	0	0	0	110.8	I81 L84 L87 F104 G105 A109 L110 L130	I81-L107 VanDerWaalsContact O-CD2 3.27Å; I81-L107 WeakPolarHBondContact O-CD2 3.38Å; L84-L107 HydrophobicContact CB-CD2 4.2Å; L87-L107 HydrophobicContact CD2-CD2 4.36Å; F104-L107 HydrophobicContact CD1-CD1 4.36Å; F104-L107 HydrophobicContact CD2-CD1 3.98Å; F104-L107 HydrophobicContact CE1-CD1 4.11Å; F104-L107 HydrophobicContact CE2-CD1 3.72Å; F104-L107 HydrophobicContact CG-CD1 4.3Å; F104-L107 HydrophobicContact CZ-CD1 3.79Å; F104-L107 PolarHBondContact O-N 2.58Å; G105-L107 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 2.87Å; L107-L110 HydrophobicContact CB-CB 4.07Å; L107-L110 HydrophobicContact CB-CD2 4.45Å; L107-L110 HydrophobicContact CD1-CD2 4.18Å; L107-L110 VanDerWaalsContact O-CB 3.3Å; L107-L110 WeakPolarHBondContact O-CB 3.35Å; L107-L110 PolarHBondContact O-N 3.4Å; L107-L130 HydrophobicContact CB-CD2 4Å; L107-L130 VanDerWaalsContact O-CD2 3.28Å; L107-L130 WeakPolarHBondContact O-CD2 3.21Å
108	S	94.8	Very high	97.8	Very high	69 Å²	69	40.3 Å²	40.3	48%	0.483	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.2	-167.5	54.1	0	0	0	0	115.5	Q106 H132	Q106-S108 PolarHBondContact O-N 2.83Å; S108-H132 PolarHBondContact O-CD2 3.27Å
109	A	98	Very high	97.8	Very high	28 Å²	28	34.4 Å²	34.4	23%	0.231	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.6	179.9	0	0	0	0	0	114	K85 L87 L107 K111	K85-A109 WeakPolarHBondContact O-CB 3.5Å; L87-A109 CarbonylContact O-C 3.14Å; L107-A109 PolarHBondContact O-N 2.87Å; A109-K111 PolarHBondContact O-N 3.42Å
110	L	98.6	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.171	C	C	.	.			trans	-69.5	125.2	-171.4	-165.1	70.6	0	0	0	111.1	L87 L90 F104 L107 L113 L130 H132 L133	L87-L110 HydrophobicContact CD2-CD1 4.28Å; L87-L110 HydrophobicContact CG-CD1 4.22Å; L87-L110 VanDerWaalsContact O-CA 3.24Å; L87-L110 WeakPolarHBondContact O-CA 3.3Å; L87-L110 PolarHBondContact O-N 3.25Å; L87-L110 VanDerWaalsContact O-N 3.12Å; L90-L110 HydrophobicContact CB-CD1 3.88Å; F104-L110 HydrophobicContact CE1-CD2 4.04Å; F104-L110 HydrophobicContact CZ-CD2 4.13Å; L107-L110 HydrophobicContact CB-CB 4.07Å; L107-L110 HydrophobicContact CB-CD2 4.45Å; L107-L110 HydrophobicContact CD1-CD2 4.18Å; L107-L110 VanDerWaalsContact O-CB 3.3Å; L107-L110 WeakPolarHBondContact O-CB 3.35Å; L107-L110 PolarHBondContact O-N 3.4Å; L110-L113 HydrophobicContact CD2-CB 4.2Å; L110-L113 HydrophobicContact CD2-CD1 4.44Å; L110-L113 HydrophobicContact CD2-CD2 4.48Å; L110-L130 HydrophobicContact CD2-CD1 4.09Å; L110-H132 CarbonylContact O-C 3.37Å; L110-H132 VanDerWaalsContact O-C 3.29Å; L110-L133 HydrophobicContact CB-CD2 4.46Å; L110-L133 HydrophobicContact CD2-CD2 4.17Å; L110-L133 HydrophobicContact CG-CD2 4.13Å; L110-L133 PolarHBondContact O-N 2.79Å
111	K	98.6	Very high	97.9	Very high	82 Å²	82	29.7 Å²	29.7	36%	0.357	19%	0.189	S	C	.	.			trans	-111.5	-37.8	179.5	-62.8	174.7	-174.6	163.3	0	112.1	E88 A109 H132 D134 V135	E88-K111 PolarHBondContact O-N 2.88Å; E88-K111 IonicContact OE2-NZ 2.77Å; E88-K111 PolarHBondContact OE2-NZ 2.84Å; A109-K111 PolarHBondContact O-N 3.42Å; K111-H132 WeakPolarHBondContact CA-O 3.49Å; K111-D134 PolarHBondContact O-N 2.93Å; K111-V135 PolarHBondContact O-N 3.18Å; K111-V135 VanDerWaalsContact O-N 3.08Å
112	T	98.8	Very high	97.9	Very high	43 Å²	43	32.1 Å²	32.1	26%	0.264	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.6	-175.9	-53.4	0	0	0	0	110	E88 T89 L90 V135	E88-T112 PolarHBondContact O-N 2.95Å; T89-T112 WeakPolarHBondContact CA-O 3.48Å; T89-T112 HydrophobicContact CG2-CG2 4.41Å; L90-T112 PolarHBondContact N-O 3.11Å; T112-V135 WeakPolarHBondContact CA-O 3.26Å; T112-V135 HydrophobicContact CG2-CB 4.43Å
113	L	98.8	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.8	176.5	178.6	58.9	0	0	0	109.9	L90 F104 L110 L115 L127 L133 V135 V136 D137	L90-L113 HydrophobicContact CB-CD1 4.08Å; L90-L113 HydrophobicContact CD2-CD1 3.99Å; L90-L113 HydrophobicContact CG-CD1 4.13Å; L90-L113 WeakPolarHBondContact O-CA 3.37Å; F104-L113 HydrophobicContact CE1-CD2 3.74Å; F104-L113 HydrophobicContact CZ-CD1 3.85Å; F104-L113 HydrophobicContact CZ-CD2 3.91Å; L110-L113 HydrophobicContact CD2-CB 4.2Å; L110-L113 HydrophobicContact CD2-CD1 4.44Å; L110-L113 HydrophobicContact CD2-CD2 4.48Å; L113-L115 HydrophobicContact CD1-CD1 3.97Å; L113-L115 HydrophobicContact CD1-CG 3.96Å; L113-L115 HydrophobicContact CD2-CD1 3.66Å; L113-L115 HydrophobicContact CD2-CG 4.49Å; L113-L115 HydrophobicContact CG-CD1 3.77Å; L113-L115 HydrophobicContact CG-CG 4.05Å; L113-L127 HydrophobicContact CD2-CD2 3.49Å; L113-L127 VanDerWaalsContact CD2-CD2 3.49Å; L113-L133 HydrophobicContact CB-CD2 4.37Å; L113-V135 PolarHBondContact N-O 3.13Å; L113-V136 HydrophobicContact CB-CG2 4.42Å; L113-V136 WeakPolarHBondContact O-CA 3.25Å; L113-D137 PolarHBondContact O-N 3.43Å
114	S	98.8	Very high	98	Very high	19 Å²	19	27.2 Å²	27.2	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.2	175.5	-43.6	0	0	0	0	110.1	L90 L92 N93	L90-S114 PolarHBondContact O-N 3.3Å; L92-S114 CarbonylContact C-O 3.12Å; L92-S114 WeakPolarHBondContact CA-O 3.27Å; L92-S114 PolarHBondContact N-O 2.76Å; N93-S114 WeakPolarHBondContact ND2-CB 3.22Å; N93-S114 WeakPolarHBondContact OD1-CB 3.37Å; N93-S114 PolarHBondContact OD1-O 3.02Å
115	L	98.8	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.198	C	C	.	.			trans	-127.9	20.5	-178.5	-74.3	164.2	0	0	0	111.2	L92 N93 L97 L100 L113 N118 L120 D137 L138 N141	L92-L115 HydrophobicContact CB-CD2 3.84Å; L92-L115 HydrophobicContact CD1-CD2 3.9Å; N93-L115 PolarHBondContact OD1-N 3.2Å; L97-L115 HydrophobicContact CD1-CD2 3.68Å; L100-L115 HydrophobicContact CD1-CD1 3.91Å; L100-L115 HydrophobicContact CD2-CD1 4.05Å; L100-L115 HydrophobicContact CD2-CD2 4.1Å; L100-L115 HydrophobicContact CG-CD1 4.41Å; L113-L115 HydrophobicContact CD1-CD1 3.97Å; L113-L115 HydrophobicContact CD1-CG 3.96Å; L113-L115 HydrophobicContact CD2-CD1 3.66Å; L113-L115 HydrophobicContact CD2-CG 4.49Å; L113-L115 HydrophobicContact CG-CD1 3.77Å; L113-L115 HydrophobicContact CG-CG 4.05Å; L115-N118 PolarHBondContact O-ND2 3.01Å; L115-L120 HydrophobicContact CB-CD1 4.28Å; L115-L120 HydrophobicContact CD1-CD1 4.23Å; L115-D137 CarbonylContact C-O 3.23Å; L115-D137 WeakPolarHBondContact CA-O 3.4Å; L115-D137 PolarHBondContact N-O 3.03Å; L115-L138 HydrophobicContact CB-CD2 3.95Å; L115-L138 HydrophobicContact CD1-CD2 3.87Å; L115-N141 PolarHBondContact O-ND2 3.35Å
116	S	98.9	Very high	97.8	Very high	14 Å²	14	33.2 Å²	33.2	10%	0.098	20%	0.202	C	C	.	.			trans	-60.4	140.4	-179	-175.8	0	0	0	0	111.1	N93 N94 D137 S139	N93-S116 CarbonylContact C-O 3.03Å; N93-S116 WeakPolarHBondContact CA-O 3.41Å; N93-S116 WeakPolarHBondContact OD1-CB 3.26Å; N93-S116 PolarHBondContact OD1-N 2.94Å; N94-S116 PolarHBondContact N-O 3.27Å; S116-D137 PolarHBondContact N-O 2.95Å; S116-S139 CarbonylContact C-O 3.2Å; S116-S139 WeakPolarHBondContact CA-O 3.13Å; S116-S139 WeakPolarHBondContact CB-OG 3.41Å; S116-S139 PolarHBondContact OG-O 2.94Å; S116-S139 PolarHBondContact OG-OG 2.75Å
117	G	98.8	Very high	97.7	Very high	17 Å²	17	28.6 Å²	28.6	18%	0.175	18%	0.181	C	C	.	.	S	Bend	trans	72	42.8	175.8	0	0	0	0	0	113.3	N94 N95 S139 K140	N94-G117 VanDerWaalsContact CA-O 3.23Å; N94-G117 WeakPolarHBondContact CA-O 3.34Å; N95-G117 PolarHBondContact N-O 2.94Å; G117-S139 PolarHBondContact N-O 3.21Å; G117-K140 WeakPolarHBondContact CA-O 3.4Å; G117-K140 PolarHBondContact N-O 2.78Å
118	N	98.9	Very high	97.6	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	19%	0.186	C	C	.	.	S	Bend	trans	-115.6	-166.5	174.1	-82.3	-78.6	0	0	0	110.5	L92 N95 H96 L97 L115 L120 K140 N141	L92-N118 PolarHBondContact O-ND2 3.08Å; N95-N118 WeakPolarHBondContact CA-OD1 3.18Å; N95-N118 WeakPolarHBondContact CB-OD1 3.23Å; N95-N118 PolarHBondContact O-OD1 2.52Å; H96-N118 PolarHBondContact N-OD1 3.04Å; L97-N118 HydrophobicContact CB-CB 4.28Å; L97-N118 WeakPolarHBondContact CB-OD1 3.15Å; L97-N118 WeakPolarHBondContact CG-OD1 3.39Å; L97-N118 PolarHBondContact N-OD1 2.92Å; L115-N118 PolarHBondContact O-ND2 3.01Å; N118-L120 HydrophobicContact CB-CG 4.42Å; N118-K140 PolarHBondContact N-O 2.9Å; N118-N141 VanDerWaalsContact CA-OD1 3.27Å; N118-N141 WeakPolarHBondContact CA-OD1 3.47Å; N118-N141 WeakPolarHBondContact CB-OD1 3.4Å; N118-N141 PolarHBondContact N-OD1 3.16Å; N118-N141 PolarHBondContact O-OD1 3.48Å
119	Q	98.6	Very high	97.6	Very high	58 Å²	58	29.8 Å²	29.8	27%	0.271	19%	0.189	S	C	.	.			trans	-116.2	28.4	-177.5	-59.1	177.8	4	0	0	111.9	L97 R98 G121 N141	L97-Q119 CarbonylContact O-C 3.29Å; L97-Q119 VanDerWaalsContact O-C 3.23Å; L97-Q119 VanDerWaalsContact O-CA 3.3Å; L97-Q119 WeakPolarHBondContact O-CA 3.12Å; L97-Q119 PolarHBondContact O-N 2.96Å; R98-Q119 HydrophobicContact CG-CB 3.92Å; Q119-G121 PolarHBondContact O-N 3.08Å; Q119-N141 PolarHBondContact N-OD1 2.76Å
120	L	98.6	Very high	97.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	18%	0.179	C	C	.	.			trans	-67.2	117.3	-179.1	-61.1	172.4	0	0	0	109.7	L97 R98 L115 N118 P124 L138 N141 Q142 I143	L97-L120 PolarHBondContact O-N 3.09Å; R98-L120 VanDerWaalsContact C-CD2 3.49Å; R98-L120 WeakPolarHBondContact O-CD2 3.11Å; L115-L120 HydrophobicContact CB-CD1 4.28Å; L115-L120 HydrophobicContact CD1-CD1 4.23Å; N118-L120 HydrophobicContact CB-CG 4.42Å; L120-P124 HydrophobicContact CD1-CG 4.24Å; L120-L138 HydrophobicContact CD1-CD2 3.39Å; L120-N141 HydrophobicContact CB-CB 4.21Å; L120-N141 WeakPolarHBondContact CB-OD1 3.26Å; L120-N141 WeakPolarHBondContact CG-OD1 3.31Å; L120-N141 PolarHBondContact N-OD1 3.3Å; L120-Q142 CarbonylContact O-C 3.47Å; L120-Q142 VanDerWaalsContact O-CA 3.3Å; L120-Q142 WeakPolarHBondContact O-CA 3.22Å; L120-Q142 PolarHBondContact O-N 3.31Å; L120-I143 HydrophobicContact CB-CG1 4.4Å; L120-I143 WeakPolarHBondContact O-CG1 3.42Å; L120-I143 PolarHBondContact O-N 2.92Å; L120-I143 VanDerWaalsContact O-N 3.16Å
121	G	97.8	Very high	97.3	Very high	39 Å²	39	37.5 Å²	37.5	40%	0.402	21%	0.212	S	C	.	.			trans	-84.6	-15.6	179.3	0	0	0	0	0	114.5	Q119 Q142	Q119-G121 PolarHBondContact O-N 3.08Å; G121-Q142 WeakPolarHBondContact CA-O 3.37Å
122	A	97.8	Very high	97.1	Very high	63 Å²	63	39 Å²	39	52%	0.521	22%	0.22	S	C	.	.	S	Bend	trans	-143.9	158.2	-178.8	0	0	0	0	0	110.6	P124	A122-P124 WeakPolarHBondContact O-CD 3.28Å
123	L	97.3	Very high	97	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.208	C	C	.	.			trans	-65.4	122.5	171.8	-171.5	150	0	0	0	109.2	L125 I146 V150	L123-L125 PolarHBondContact O-N 3.16Å; L123-L125 VanDerWaalsContact O-N 3.16Å; L123-I146 HydrophobicContact CD1-CG2 4.29Å; L123-V150 HydrophobicContact CD1-CG2 4.32Å
124	P	96.2	Very high	97	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.065	22%	0.22	C	C	.	.			trans	-67.3	115.1	-177.5	-19.4	31.6	0	0	0	111.7	L100 L120 A122 Q126 L127	L100-P124 HydrophobicContact CB-CB 4.44Å; L100-P124 HydrophobicContact CD1-CB 3.74Å; L100-P124 HydrophobicContact CD1-CG 3.88Å; L100-P124 HydrophobicContact CG-CB 4.15Å; L100-P124 HydrophobicContact CG-CG 4.16Å; L120-P124 HydrophobicContact CD1-CG 4.24Å; A122-P124 WeakPolarHBondContact O-CD 3.28Å; P124-Q126 PolarHBondContact O-N 3.31Å; P124-L127 HydrophobicContact CB-CD1 4.36Å; P124-L127 HydrophobicContact CB-CG 4.2Å; P124-L127 HydrophobicContact CG-CD1 4.41Å; P124-L127 WeakPolarHBondContact O-CB 3.33Å; P124-L127 VanDerWaalsContact O-CG 3.29Å; P124-L127 WeakPolarHBondContact O-CG 3.48Å; P124-L127 PolarHBondContact O-N 3.27Å; P124-L127 VanDerWaalsContact O-N 3.15Å
125	L	94.3	Very high	97	Very high	90 Å²	90	40.8 Å²	40.8	47%	0.471	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.5	-24.3	-177.3	-61.1	-179.3	0	0	0	112.9	L123 L127 C128 P147 T149	L123-L125 PolarHBondContact O-N 3.16Å; L123-L125 VanDerWaalsContact O-N 3.16Å; L125-L127 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact O-N 3.14Å; L125-C128 WeakPolarHBondContact O-CB 2.74Å; L125-C128 PolarHBondContact O-N 3.23Å; L125-P147 HydrophobicContact CD2-CG 4.08Å; L125-T149 HydrophobicContact CD2-CG2 4.06Å; L125-T149 WeakPolarHBondContact CD2-OG1 3.2Å
126	Q	95.9	Very high	96.9	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.238	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.9	-22.6	177.7	-61.8	80.7	2.2	0	0	112.3	F104 G105 P124 C128 S129	F104-Q126 HydrophobicContact CB-CB 4.07Å; F104-Q126 HydrophobicContact CB-CG 4.43Å; G105-Q126 WeakPolarHBondContact CA-O 3.2Å; P124-Q126 PolarHBondContact O-N 3.31Å; Q126-C128 PolarHBondContact O-N 2.77Å; Q126-S129 PolarHBondContact O-N 2.81Å
127	L	96.6	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.9	-28	175.7	-59.3	178.2	0	0	0	112.4	L100 F104 L113 P124 L125 S129 L130 L133 V136 L138 L153	L100-L127 HydrophobicContact CD1-CD2 4.27Å; F104-L127 HydrophobicContact CD1-CD2 4.44Å; F104-L127 HydrophobicContact CE1-CD2 4.15Å; L113-L127 HydrophobicContact CD2-CD2 3.49Å; L113-L127 VanDerWaalsContact CD2-CD2 3.49Å; P124-L127 HydrophobicContact CB-CD1 4.36Å; P124-L127 HydrophobicContact CB-CG 4.2Å; P124-L127 HydrophobicContact CG-CD1 4.41Å; P124-L127 WeakPolarHBondContact O-CB 3.33Å; P124-L127 VanDerWaalsContact O-CG 3.29Å; P124-L127 WeakPolarHBondContact O-CG 3.48Å; P124-L127 PolarHBondContact O-N 3.27Å; P124-L127 VanDerWaalsContact O-N 3.15Å; L125-L127 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact O-N 3.14Å; L127-S129 PolarHBondContact O-N 3.03Å; L127-L130 HydrophobicContact CD2-CD1 4.01Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-L130 VanDerWaalsContact O-N 3.12Å; L127-L133 HydrophobicContact CD2-CD1 4.39Å; L127-V136 HydrophobicContact CD1-CG1 4.1Å; L127-L138 HydrophobicContact CD1-CD1 4.1Å; L127-L153 HydrophobicContact CB-CD1 3.63Å
128	C	94.7	Very high	97	Very high	16 Å²	16	40.9 Å²	40.9	11%	0.108	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-65.5	-21.8	177.8	-60	0	0	0	0	112.9	L125 Q126 T149 E152	L125-C128 WeakPolarHBondContact O-CB 2.74Å; L125-C128 PolarHBondContact O-N 3.23Å; Q126-C128 PolarHBondContact O-N 2.77Å; C128-T149 PolarHBondContact SG-O 3.24Å; C128-E152 HydrophobicContact CB-CB 3.93Å
129	S	95.4	Very high	97	Very high	79 Å²	79	40.9 Å²	40.9	55%	0.552	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-81.1	-15.9	176.3	-62.7	0	0	0	0	113.6	Q126 L127	Q126-S129 PolarHBondContact O-N 2.81Å; L127-S129 PolarHBondContact O-N 3.03Å
130	L	96.3	Very high	97	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.235	C	C	.	.			trans	-86.2	116.4	-176.3	-62.5	174.2	0	0	0	110.2	F104 G105 L107 L110 L127 L133	F104-L130 HydrophobicContact CD1-CD1 4.15Å; F104-L130 HydrophobicContact CE1-CD1 4.01Å; G105-L130 WeakPolarHBondContact O-CD2 3.42Å; L107-L130 HydrophobicContact CB-CD2 4Å; L107-L130 VanDerWaalsContact O-CD2 3.28Å; L107-L130 WeakPolarHBondContact O-CD2 3.21Å; L110-L130 HydrophobicContact CD2-CD1 4.09Å; L127-L130 HydrophobicContact CD2-CD1 4.01Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-L130 VanDerWaalsContact O-N 3.12Å; L130-L133 HydrophobicContact CB-CD1 3.62Å; L130-L133 HydrophobicContact CB-CG 3.82Å; L130-L133 HydrophobicContact CD1-CD1 3.68Å; L130-L133 HydrophobicContact CD1-CD2 4.32Å; L130-L133 HydrophobicContact CD1-CG 4.12Å; L130-L133 HydrophobicContact CG-CD1 4.29Å
131	R	93	Very high	97	Very high	189 Å²	189	43.8 Å²	43.8	71%	0.713	24%	0.237	S	C	*	.	S	Bend	trans	-90.9	-12.5	-170.6	-62.3	-172.7	178.6	-175	-1.5	115.4
132	H	94.3	Very high	97	Very high	113 Å²	113	45.9 Å²	45.9	52%	0.523	24%	0.236	S	C	.	.	S	Bend	trans	-122.4	17.5	-170.8	-64.1	-56.2	0	0	0	113.4	S108 L110 K111 D134	S108-H132 PolarHBondContact O-CD2 3.27Å; L110-H132 CarbonylContact O-C 3.37Å; L110-H132 VanDerWaalsContact O-C 3.29Å; K111-H132 WeakPolarHBondContact CA-O 3.49Å; H132-D134 PolarHBondContact O-N 3.44Å
133	L	97.5	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.			trans	-66.4	132.8	175.1	-76.2	171	0	0	0	110.2	L110 L113 L127 L130 V136 V155 R177	L110-L133 HydrophobicContact CB-CD2 4.46Å; L110-L133 HydrophobicContact CD2-CD2 4.17Å; L110-L133 HydrophobicContact CG-CD2 4.13Å; L110-L133 PolarHBondContact O-N 2.79Å; L113-L133 HydrophobicContact CB-CD2 4.37Å; L127-L133 HydrophobicContact CD2-CD1 4.39Å; L130-L133 HydrophobicContact CB-CD1 3.62Å; L130-L133 HydrophobicContact CB-CG 3.82Å; L130-L133 HydrophobicContact CD1-CD1 3.68Å; L130-L133 HydrophobicContact CD1-CD2 4.32Å; L130-L133 HydrophobicContact CD1-CG 4.12Å; L130-L133 HydrophobicContact CG-CD1 4.29Å; L133-V136 HydrophobicContact CB-CG2 4.41Å; L133-V136 HydrophobicContact CD1-CG2 3.7Å; L133-V136 HydrophobicContact CD2-CG2 4.03Å; L133-V136 HydrophobicContact CG-CG2 4.28Å; L133-V155 HydrophobicContact CB-CB 4.29Å; L133-V155 HydrophobicContact CB-CG2 4.14Å; L133-V155 WeakPolarHBondContact O-CA 3.21Å; L133-R177 PolarHBondContact O-NH1 3.04Å
134	D	98	Very high	97.1	Very high	50 Å²	50	50.3 Å²	50.3	27%	0.267	24%	0.239	S	C	.	.			trans	-105	-47.6	171.4	-65.8	-30.6	0	0	0	109	K111 H132 V155 I156 E157 R177	K111-D134 PolarHBondContact O-N 2.93Å; H132-D134 PolarHBondContact O-N 3.44Å; D134-V155 WeakPolarHBondContact O-CG2 3.18Å; D134-I156 HydrophobicContact CB-CD1 4.11Å; D134-I156 CarbonylContact O-C 3.47Å; D134-I156 WeakPolarHBondContact O-CA 3.35Å; D134-I156 VanDerWaalsContact O-CB 3.27Å; D134-I156 WeakPolarHBondContact O-CB 3.24Å; D134-I156 PolarHBondContact O-N 3.24Å; D134-I156 WeakPolarHBondContact OD1-CD1 3.18Å; D134-E157 PolarHBondContact O-N 3.01Å; D134-R177 IonicContact OD1-CZ 3.87Å; D134-R177 IonicContact OD1-NH1 2.8Å; D134-R177 IonicContact OD1-NH2 3.79Å; D134-R177 PolarHBondContact OD1-NH2 3.35Å
135	V	98.6	Very high	97.2	Very high	50 Å²	50	52.1 Å²	52.1	30%	0.303	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.7	-176.2	-176	0	0	0	0	110.8	K111 T112 L113 E157	K111-V135 PolarHBondContact O-N 3.18Å; K111-V135 VanDerWaalsContact O-N 3.08Å; T112-V135 WeakPolarHBondContact CA-O 3.26Å; T112-V135 HydrophobicContact CG2-CB 4.43Å; L113-V135 PolarHBondContact N-O 3.13Å; V135-E157 HydrophobicContact CG1-CB 4.47Å; V135-E157 HydrophobicContact CG2-CB 4.34Å
136	V	98.8	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.5	169.9	176	0	0	0	0	109.1	L113 L127 L133 L138 V155 E157 L158 N159	L113-V136 HydrophobicContact CB-CG2 4.42Å; L113-V136 WeakPolarHBondContact O-CA 3.25Å; L127-V136 HydrophobicContact CD1-CG1 4.1Å; L133-V136 HydrophobicContact CB-CG2 4.41Å; L133-V136 HydrophobicContact CD1-CG2 3.7Å; L133-V136 HydrophobicContact CD2-CG2 4.03Å; L133-V136 HydrophobicContact CG-CG2 4.28Å; V136-L138 HydrophobicContact CG1-CD1 3.84Å; V136-L138 HydrophobicContact CG1-CG 3.79Å; V136-V155 HydrophobicContact CB-CG2 4.18Å; V136-V155 HydrophobicContact CG2-CG2 3.78Å; V136-E157 PolarHBondContact N-O 3.02Å; V136-L158 HydrophobicContact CB-CD1 4.08Å; V136-L158 HydrophobicContact CG1-CD1 3.99Å; V136-N159 PolarHBondContact O-N 2.98Å
137	D	98.9	Very high	97.4	Very high	33 Å²	33	47.7 Å²	47.7	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110	173.1	-173	1.4	0	0	0	110.8	L113 L115 S116 S139 N159	L113-D137 PolarHBondContact O-N 3.43Å; L115-D137 CarbonylContact C-O 3.23Å; L115-D137 WeakPolarHBondContact CA-O 3.4Å; L115-D137 PolarHBondContact N-O 3.03Å; S116-D137 PolarHBondContact N-O 2.95Å; D137-S139 VanDerWaalsContact OD1-CB 3.23Å; D137-S139 WeakPolarHBondContact OD1-CB 3.41Å; D137-S139 PolarHBondContact OD1-N 3.02Å; D137-S139 PolarHBondContact OD1-OG 3.21Å; D137-N159 HydrophobicContact CB-CB 4.47Å; D137-N159 PolarHBondContact OD1-ND2 3Å
138	L	98.8	Very high	97.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.			trans	-115.4	17.8	176.3	-72.1	165.8	0	0	0	111.1	L115 L120 L127 V136 N141 I143 L158 N159 L160 N163	L115-L138 HydrophobicContact CB-CD2 3.95Å; L115-L138 HydrophobicContact CD1-CD2 3.87Å; L120-L138 HydrophobicContact CD1-CD2 3.39Å; L127-L138 HydrophobicContact CD1-CD1 4.1Å; V136-L138 HydrophobicContact CG1-CD1 3.84Å; V136-L138 HydrophobicContact CG1-CG 3.79Å; L138-N141 PolarHBondContact O-ND2 2.95Å; L138-I143 HydrophobicContact CB-CD1 4.03Å; L138-I143 HydrophobicContact CD1-CD1 4.23Å; L138-I143 HydrophobicContact CD2-CD1 4.46Å; L138-I143 HydrophobicContact CG-CD1 4.49Å; L138-L158 HydrophobicContact CD1-CD1 4.15Å; L138-N159 CarbonylContact C-O 3.47Å; L138-N159 WeakPolarHBondContact CA-O 3.5Å; L138-N159 PolarHBondContact N-O 3.16Å; L138-L160 HydrophobicContact CB-CD2 3.75Å; L138-L160 HydrophobicContact CD1-CD2 4.01Å; L138-N163 PolarHBondContact O-ND2 2.86Å
139	S	98.9	Very high	97.5	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.07	27%	0.27	C	S	.	.			trans	-61	159.4	-179.9	59.6	0	0	0	0	112.5	S116 G117 D137 N141 N159 N161	S116-S139 CarbonylContact C-O 3.2Å; S116-S139 WeakPolarHBondContact CA-O 3.13Å; S116-S139 WeakPolarHBondContact CB-OG 3.41Å; S116-S139 PolarHBondContact OG-O 2.94Å; S116-S139 PolarHBondContact OG-OG 2.75Å; G117-S139 PolarHBondContact N-O 3.21Å; D137-S139 VanDerWaalsContact OD1-CB 3.23Å; D137-S139 WeakPolarHBondContact OD1-CB 3.41Å; D137-S139 PolarHBondContact OD1-N 3.02Å; D137-S139 PolarHBondContact OD1-OG 3.21Å; S139-N141 VanDerWaalsContact C-N 3.34Å; S139-N141 PolarHBondContact O-N 3.34Å; S139-N141 PolarHBondContact O-ND2 3.39Å; S139-N159 PolarHBondContact N-O 3Å; S139-N161 CarbonylContact C-O 3.46Å; S139-N161 WeakPolarHBondContact CA-O 3.34Å; S139-N161 VanDerWaalsContact CB-O 3.24Å; S139-N161 WeakPolarHBondContact CB-O 3.46Å
140	K	98.8	Very high	97.5	Very high	111 Å²	111	50.7 Å²	50.7	48%	0.483	24%	0.244	S	C	.	.	S	Bend	trans	55	47.6	176.8	-63.1	173.8	177.3	177.4	0	112.6	G117 N118 N161 Q162	G117-K140 WeakPolarHBondContact CA-O 3.4Å; G117-K140 PolarHBondContact N-O 2.78Å; N118-K140 PolarHBondContact N-O 2.9Å; K140-N161 PolarHBondContact N-O 3.17Å; K140-Q162 WeakPolarHBondContact CA-O 3.3Å; K140-Q162 HydrophobicContact CG-CB 3.92Å; K140-Q162 PolarHBondContact N-O 3.06Å
141	N	98.9	Very high	97.5	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.053	25%	0.252	C	S	.	.	S	Bend	trans	-120.5	-164.1	174.4	-85	-82.9	0	0	0	109.6	L115 N118 Q119 L120 L138 S139 I143 Q162 N163	L115-N141 PolarHBondContact O-ND2 3.35Å; N118-N141 VanDerWaalsContact CA-OD1 3.27Å; N118-N141 WeakPolarHBondContact CA-OD1 3.47Å; N118-N141 WeakPolarHBondContact CB-OD1 3.4Å; N118-N141 PolarHBondContact N-OD1 3.16Å; N118-N141 PolarHBondContact O-OD1 3.48Å; Q119-N141 PolarHBondContact N-OD1 2.76Å; L120-N141 HydrophobicContact CB-CB 4.21Å; L120-N141 WeakPolarHBondContact CB-OD1 3.26Å; L120-N141 WeakPolarHBondContact CG-OD1 3.31Å; L120-N141 PolarHBondContact N-OD1 3.3Å; L138-N141 PolarHBondContact O-ND2 2.95Å; S139-N141 VanDerWaalsContact C-N 3.34Å; S139-N141 PolarHBondContact O-N 3.34Å; S139-N141 PolarHBondContact O-ND2 3.39Å; N141-I143 HydrophobicContact CB-CD1 4.4Å; N141-I143 HydrophobicContact CB-CG1 4.19Å; N141-Q162 PolarHBondContact N-O 3.08Å; N141-N163 VanDerWaalsContact CA-OD1 3.25Å; N141-N163 WeakPolarHBondContact CA-OD1 3.45Å; N141-N163 WeakPolarHBondContact CB-OD1 3.2Å; N141-N163 PolarHBondContact N-OD1 3.48Å; N141-N163 PolarHBondContact O-OD1 2.99Å
142	Q	98.6	Very high	97.7	Very high	82 Å²	82	48.6 Å²	48.6	38%	0.383	25%	0.246	S	C	.	.			trans	-118	26.8	-178.3	-59.3	174.2	44.5	0	0	111.3	L120 G121 R144 N163	L120-Q142 CarbonylContact O-C 3.47Å; L120-Q142 VanDerWaalsContact O-CA 3.3Å; L120-Q142 WeakPolarHBondContact O-CA 3.22Å; L120-Q142 PolarHBondContact O-N 3.31Å; G121-Q142 WeakPolarHBondContact CA-O 3.37Å; Q142-R144 PolarHBondContact O-N 2.93Å; Q142-N163 PolarHBondContact N-OD1 3.02Å
143	I	98.6	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.			trans	-69.9	128.7	-175.5	-58.7	173.2	0	0	0	109.1	L120 L138 N141 L160 N163 Q164 I165	L120-I143 HydrophobicContact CB-CG1 4.4Å; L120-I143 WeakPolarHBondContact O-CG1 3.42Å; L120-I143 PolarHBondContact O-N 2.92Å; L120-I143 VanDerWaalsContact O-N 3.16Å; L138-I143 HydrophobicContact CB-CD1 4.03Å; L138-I143 HydrophobicContact CD1-CD1 4.23Å; L138-I143 HydrophobicContact CD2-CD1 4.46Å; L138-I143 HydrophobicContact CG-CD1 4.49Å; N141-I143 HydrophobicContact CB-CD1 4.4Å; N141-I143 HydrophobicContact CB-CG1 4.19Å; I143-L160 HydrophobicContact CD1-CD2 3.73Å; I143-N163 HydrophobicContact CB-CB 4.33Å; I143-N163 WeakPolarHBondContact CB-OD1 3.47Å; I143-N163 WeakPolarHBondContact CG1-OD1 3.38Å; I143-N163 PolarHBondContact N-OD1 3.01Å; I143-Q164 CarbonylContact O-C 3.4Å; I143-Q164 WeakPolarHBondContact O-CA 3.39Å; I143-Q164 PolarHBondContact O-N 2.92Å; I143-I165 HydrophobicContact CB-CG1 4.41Å; I143-I165 HydrophobicContact CG2-CD1 4.39Å; I143-I165 HydrophobicContact CG2-CG1 4.15Å; I143-I165 WeakPolarHBondContact O-CG1 3.44Å; I143-I165 PolarHBondContact O-N 3.16Å; I143-I165 VanDerWaalsContact O-N 3.15Å
144	R	98.2	Very high	97.8	Very high	161 Å²	161	46 Å²	46	61%	0.608	24%	0.235	S	C	*	.			trans	-102.3	-23.6	-175.5	-62.9	-177.6	-179.5	177.7	1.6	114.9	Q142 Q164 I165 S166	Q142-R144 PolarHBondContact O-N 2.93Å; R144-Q164 WeakPolarHBondContact CA-O 3.23Å; R144-Q164 HydrophobicContact CG-CB 4.23Å; R144-I165 WeakPolarHBondContact O-CA 3.16Å; R144-S166 PolarHBondContact O-N 3.15Å
145	S	97.8	Very high	97.8	Very high	48 Å²	48	43.7 Å²	43.7	34%	0.336	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.2	-177.3	60	0	0	0	0	112.1	Q167	S145-Q167 WeakPolarHBondContact CA-O 3.42Å
146	I	97.9	Very high	97.8	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.4	169.8	-54.7	-177	0	0	0	108	L123 V150 L160 I165 Q167 I168 S169 I172 L183	L123-I146 HydrophobicContact CD1-CG2 4.29Å; I146-V150 HydrophobicContact CG2-CB 3.7Å; I146-V150 HydrophobicContact CG2-CG1 3.66Å; I146-V150 HydrophobicContact CG2-CG2 3.73Å; I146-L160 HydrophobicContact CD1-CD1 3.56Å; I146-L160 HydrophobicContact CG1-CD1 4.16Å; I146-I165 HydrophobicContact CD1-CD1 4.4Å; I146-I165 HydrophobicContact CG1-CD1 4.26Å; I146-I165 HydrophobicContact CG1-CG2 4.22Å; I146-Q167 PolarHBondContact N-O 3.02Å; I146-I168 HydrophobicContact CB-CG2 4.35Å; I146-I168 HydrophobicContact CD1-CD1 4.43Å; I146-I168 HydrophobicContact CD1-CG1 3.98Å; I146-I168 HydrophobicContact CD1-CG2 4.17Å; I146-I168 HydrophobicContact CG1-CG1 4.34Å; I146-S169 VanDerWaalsContact O-CB 3.28Å; I146-S169 WeakPolarHBondContact O-CB 3.36Å; I146-S169 PolarHBondContact O-N 3.39Å; I146-I172 HydrophobicContact CG2-CD1 4.3Å; I146-L183 HydrophobicContact CD1-CD2 4.06Å
147	P	97.2	Very high	97.8	Very high	44 Å²	44	46 Å²	46	29%	0.286	23%	0.231	S	C	.	.			trans	-78.1	167.9	-176	32	-36.5	0	0	0	113.4	L125 T149 V150	L125-P147 HydrophobicContact CD2-CG 4.08Å; P147-T149 WeakPolarHBondContact CG-OG1 3.45Å; P147-T149 PolarHBondContact O-N 3.4Å; P147-V150 VanDerWaalsContact O-CB 3.3Å; P147-V150 WeakPolarHBondContact O-CB 3.39Å; P147-V150 WeakPolarHBondContact O-CG1 3.48Å; P147-V150 PolarHBondContact O-N 3.22Å
148	D	97.2	Very high	97.7	Very high	107 Å²	107	44.4 Å²	44.4	57%	0.572	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-58	-30.6	179.5	-78.5	7.8	0	0	0	114.5	V150 G151 S169 K171	D148-V150 PolarHBondContact O-N 2.84Å; D148-V150 VanDerWaalsContact O-N 3.08Å; D148-G151 PolarHBondContact O-N 2.88Å; D148-S169 WeakPolarHBondContact CA-OG 3.46Å; D148-S169 WeakPolarHBondContact OD1-CB 3.39Å; D148-S169 PolarHBondContact OD1-OG 2.8Å; D148-K171 HydrophobicContact CB-CG 3.99Å; D148-K171 VanDerWaalsContact O-CB 3.22Å; D148-K171 WeakPolarHBondContact O-CB 3.29Å
149	T	95.7	Very high	97.7	Very high	52 Å²	52	45.5 Å²	45.5	32%	0.319	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.2	-18.7	176.3	47.7	0	0	0	0	113.2	L125 C128 P147 G151 E152	L125-T149 HydrophobicContact CD2-CG2 4.06Å; L125-T149 WeakPolarHBondContact CD2-OG1 3.2Å; C128-T149 PolarHBondContact SG-O 3.24Å; P147-T149 WeakPolarHBondContact CG-OG1 3.45Å; P147-T149 PolarHBondContact O-N 3.4Å; T149-G151 PolarHBondContact O-N 2.83Å; T149-G151 VanDerWaalsContact O-N 3.12Å; T149-E152 PolarHBondContact O-N 3.33Å; T149-E152 VanDerWaalsContact O-N 3.15Å
150	V	96.6	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26	176.6	78.5	0	0	0	0	112.3	L123 I146 P147 D148 E152 L153 K171 I172 C175	L123-V150 HydrophobicContact CD1-CG2 4.32Å; I146-V150 HydrophobicContact CG2-CB 3.7Å; I146-V150 HydrophobicContact CG2-CG1 3.66Å; I146-V150 HydrophobicContact CG2-CG2 3.73Å; P147-V150 VanDerWaalsContact O-CB 3.3Å; P147-V150 WeakPolarHBondContact O-CB 3.39Å; P147-V150 WeakPolarHBondContact O-CG1 3.48Å; P147-V150 PolarHBondContact O-N 3.22Å; D148-V150 PolarHBondContact O-N 2.84Å; D148-V150 VanDerWaalsContact O-N 3.08Å; V150-E152 PolarHBondContact O-N 3.32Å; V150-L153 HydrophobicContact CG2-CB 4.38Å; V150-L153 HydrophobicContact CG2-CD2 4.15Å; V150-L153 WeakPolarHBondContact O-CB 3.37Å; V150-L153 PolarHBondContact O-N 2.89Å; V150-K171 HydrophobicContact CG1-CB 4.39Å; V150-I172 HydrophobicContact CB-CD1 4.36Å; V150-I172 HydrophobicContact CG1-CB 3.99Å; V150-I172 HydrophobicContact CG1-CD1 3.93Å; V150-I172 HydrophobicContact CG2-CD1 3.49Å; V150-I172 VanDerWaalsContact CG2-CD1 3.49Å; V150-C175 PolarHBondContact O-SG 3.26Å
151	G	96.3	Very high	97.7	Very high	17 Å²	17	40.9 Å²	40.9	18%	0.175	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.5	179.2	0	0	0	0	0	114.3	D148 T149 K171	D148-G151 PolarHBondContact O-N 2.88Å; T149-G151 PolarHBondContact O-N 2.83Å; T149-G151 VanDerWaalsContact O-N 3.12Å; G151-K171 VanDerWaalsContact CA-O 3.26Å; G151-K171 WeakPolarHBondContact CA-O 3.3Å
152	E	96.5	Very high	97.7	Very high	128 Å²	128	43.7 Å²	43.7	60%	0.598	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-86.2	-10	175.9	-63.2	178	-169.8	0	0	113.2	C128 T149 V150 Q154	C128-E152 HydrophobicContact CB-CB 3.93Å; T149-E152 PolarHBondContact O-N 3.33Å; T149-E152 VanDerWaalsContact O-N 3.15Å; V150-E152 PolarHBondContact O-N 3.32Å; E152-Q154 PolarHBondContact O-N 3.29Å
153	L	96.8	Very high	97.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.205	C	C	.	.			trans	-66.8	124.3	-172.5	-170.4	65.3	0	0	0	111.8	L127 V150 V155 L158	L127-L153 HydrophobicContact CB-CD1 3.63Å; V150-L153 HydrophobicContact CG2-CB 4.38Å; V150-L153 HydrophobicContact CG2-CD2 4.15Å; V150-L153 WeakPolarHBondContact O-CB 3.37Å; V150-L153 PolarHBondContact O-N 2.89Å; L153-V155 HydrophobicContact CD2-CB 4.32Å; L153-V155 HydrophobicContact CD2-CG1 3.52Å; L153-V155 HydrophobicContact CG-CB 4.12Å; L153-V155 HydrophobicContact CG-CG1 3.72Å; L153-V155 PolarHBondContact O-N 3.03Å; L153-L158 HydrophobicContact CD2-CD2 3.99Å
154	Q	96.8	Very high	97.7	Very high	59 Å²	59	44 Å²	44	28%	0.276	22%	0.223	S	C	.	.			trans	-100.9	60.6	-179.1	-61.2	-72.6	-20.9	0	0	111.4	E152 P176 R177	E152-Q154 PolarHBondContact O-N 3.29Å; Q154-P176 VanDerWaalsContact CD-CG 3.49Å; Q154-P176 VanDerWaalsContact OE1-CG 3.31Å; Q154-R177 PolarHBondContact O-NH1 3.02Å
155	V	97.8	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.			trans	-118.7	151.2	-178.7	74.7	0	0	0	0	111.8	L133 D134 V136 L153 E157 L158 R177 L178	L133-V155 HydrophobicContact CB-CB 4.29Å; L133-V155 HydrophobicContact CB-CG2 4.14Å; L133-V155 WeakPolarHBondContact O-CA 3.21Å; D134-V155 WeakPolarHBondContact O-CG2 3.18Å; V136-V155 HydrophobicContact CB-CG2 4.18Å; V136-V155 HydrophobicContact CG2-CG2 3.78Å; L153-V155 HydrophobicContact CD2-CB 4.32Å; L153-V155 HydrophobicContact CD2-CG1 3.52Å; L153-V155 HydrophobicContact CG-CB 4.12Å; L153-V155 HydrophobicContact CG-CG1 3.72Å; L153-V155 PolarHBondContact O-N 3.03Å; V155-E157 WeakPolarHBondContact CG2-O 3.43Å; V155-L158 HydrophobicContact CG1-CB 4.14Å; V155-R177 CarbonylContact O-C 3.57Å; V155-R177 WeakPolarHBondContact O-CB 3.49Å; V155-L178 HydrophobicContact CG1-CD1 3.75Å; V155-L178 WeakPolarHBondContact O-CA 3.41Å; V155-L178 PolarHBondContact O-N 3.06Å
156	I	98.1	Very high	97.7	Very high	59 Å²	59	36.5 Å²	36.5	30%	0.303	20%	0.195	S	C	.	.	S	Bend	trans	-88.4	-46.8	173.3	-57.7	174.3	0	0	0	110.8	D134 K179 I180	D134-I156 HydrophobicContact CB-CD1 4.11Å; D134-I156 CarbonylContact O-C 3.47Å; D134-I156 WeakPolarHBondContact O-CA 3.35Å; D134-I156 VanDerWaalsContact O-CB 3.27Å; D134-I156 WeakPolarHBondContact O-CB 3.24Å; D134-I156 PolarHBondContact O-N 3.24Å; D134-I156 WeakPolarHBondContact OD1-CD1 3.18Å; I156-K179 HydrophobicContact CG2-CB 4.14Å; I156-K179 HydrophobicContact CG2-CG 4.14Å; I156-K179 PolarHBondContact O-N 3.18Å; I156-I180 PolarHBondContact O-N 3.26Å
157	E	98.5	Very high	97.7	Very high	40 Å²	40	41.6 Å²	41.6	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.9	-180	178.5	163	-175.1	0	0	111.4	D134 V135 V136 V155 I180 R182	D134-E157 PolarHBondContact O-N 3.01Å; V135-E157 HydrophobicContact CG1-CB 4.47Å; V135-E157 HydrophobicContact CG2-CB 4.34Å; V136-E157 PolarHBondContact N-O 3.02Å; V155-E157 WeakPolarHBondContact CG2-O 3.43Å; E157-I180 WeakPolarHBondContact CA-O 3.45Å; E157-I180 HydrophobicContact CB-CB 3.94Å; E157-I180 HydrophobicContact CB-CD1 4.45Å; E157-I180 HydrophobicContact CB-CG2 4.42Å; E157-I180 HydrophobicContact CG-CB 3.81Å; E157-I180 HydrophobicContact CG-CG2 3.73Å; E157-R182 IonicContact OE1-CZ 3.52Å; E157-R182 IonicContact OE1-NE 2.78Å; E157-R182 PolarHBondContact OE1-NE 3.38Å; E157-R182 IonicContact OE1-NH2 3.34Å; E157-R182 PolarHBondContact OE1-NH2 3.21Å
158	L	98.6	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111	173.4	-178.1	59.9	0	0	0	109.2	V136 L138 L153 V155 L160 L178 I180 L181 R182	V136-L158 HydrophobicContact CB-CD1 4.08Å; V136-L158 HydrophobicContact CG1-CD1 3.99Å; L138-L158 HydrophobicContact CD1-CD1 4.15Å; L153-L158 HydrophobicContact CD2-CD2 3.99Å; V155-L158 HydrophobicContact CG1-CB 4.14Å; L158-L160 HydrophobicContact CD1-CD1 4.47Å; L158-L160 HydrophobicContact CD1-CG 4.27Å; L158-L160 HydrophobicContact CD2-CD1 3.73Å; L158-L160 HydrophobicContact CD2-CG 4.39Å; L158-L160 HydrophobicContact CG-CD1 3.87Å; L158-L160 HydrophobicContact CG-CG 4.01Å; L158-L178 HydrophobicContact CB-CD1 3.74Å; L158-I180 PolarHBondContact N-O 3.46Å; L158-L181 HydrophobicContact CB-CD1 4.28Å; L158-L181 HydrophobicContact CD2-CD1 4.18Å; L158-L181 HydrophobicContact CG-CD1 4.34Å; L158-R182 PolarHBondContact O-N 3.17Å
159	N	98.8	Very high	97.8	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.7	174.8	-175.9	4.2	0	0	0	110.4	V136 D137 L138 S139 N161 R182	V136-N159 PolarHBondContact O-N 2.98Å; D137-N159 HydrophobicContact CB-CB 4.47Å; D137-N159 PolarHBondContact OD1-ND2 3Å; L138-N159 CarbonylContact C-O 3.47Å; L138-N159 WeakPolarHBondContact CA-O 3.5Å; L138-N159 PolarHBondContact N-O 3.16Å; S139-N159 PolarHBondContact N-O 3Å; N159-N161 WeakPolarHBondContact OD1-CB 3.37Å; N159-N161 PolarHBondContact OD1-N 2.87Å; N159-N161 PolarHBondContact OD1-OD1 2.83Å; N159-R182 HydrophobicContact CB-CB 4.45Å
160	L	98.8	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.			trans	-122.5	19.6	178.5	-72.3	164.2	0	0	0	111.7	L138 I143 I146 L158 N163 I165 L181 R182 L183 N186	L138-L160 HydrophobicContact CB-CD2 3.75Å; L138-L160 HydrophobicContact CD1-CD2 4.01Å; I143-L160 HydrophobicContact CD1-CD2 3.73Å; I146-L160 HydrophobicContact CD1-CD1 3.56Å; I146-L160 HydrophobicContact CG1-CD1 4.16Å; L158-L160 HydrophobicContact CD1-CD1 4.47Å; L158-L160 HydrophobicContact CD1-CG 4.27Å; L158-L160 HydrophobicContact CD2-CD1 3.73Å; L158-L160 HydrophobicContact CD2-CG 4.39Å; L158-L160 HydrophobicContact CG-CD1 3.87Å; L158-L160 HydrophobicContact CG-CG 4.01Å; L160-N163 PolarHBondContact O-ND2 2.95Å; L160-I165 HydrophobicContact CB-CD1 3.75Å; L160-I165 HydrophobicContact CD1-CD1 3.96Å; L160-I165 HydrophobicContact CD2-CD1 4.16Å; L160-I165 HydrophobicContact CG-CD1 4.19Å; L160-L181 HydrophobicContact CD1-CD1 4.44Å; L160-R182 CarbonylContact C-O 3.54Å; L160-R182 WeakPolarHBondContact CA-O 3.34Å; L160-R182 WeakPolarHBondContact CB-O 3.14Å; L160-R182 PolarHBondContact N-O 2.95Å; L160-L183 HydrophobicContact CB-CD2 3.88Å; L160-L183 HydrophobicContact CD1-CD2 4.04Å; L160-N186 PolarHBondContact O-ND2 3.04Å
161	N	98.8	Very high	97.9	Very high	24 Å²	24	42 Å²	42	13%	0.128	22%	0.215	C	C	.	.			trans	-55.5	148.8	179.1	-72.3	1.1	0	0	0	111.9	S139 K140 N159 N163 R182 L183 E184	S139-N161 CarbonylContact C-O 3.46Å; S139-N161 WeakPolarHBondContact CA-O 3.34Å; S139-N161 VanDerWaalsContact CB-O 3.24Å; S139-N161 WeakPolarHBondContact CB-O 3.46Å; K140-N161 PolarHBondContact N-O 3.17Å; N159-N161 WeakPolarHBondContact OD1-CB 3.37Å; N159-N161 PolarHBondContact OD1-N 2.87Å; N159-N161 PolarHBondContact OD1-OD1 2.83Å; N161-N163 PolarHBondContact O-N 3.2Å; N161-N163 PolarHBondContact O-ND2 2.88Å; N161-R182 WeakPolarHBondContact OD1-CB 3.31Å; N161-R182 PolarHBondContact OD1-O 2.88Å; N161-L183 PolarHBondContact OD1-N 2.8Å; N161-L183 VanDerWaalsContact OD1-N 3.12Å; N161-E184 CarbonylContact C-O 3.11Å; N161-E184 WeakPolarHBondContact CA-O 3.34Å; N161-E184 HydrophobicContact CB-CB 4.38Å; N161-E184 PolarHBondContact ND2-OE2 2.84Å; N161-E184 WeakPolarHBondContact OD1-CB 3.39Å; N161-E184 PolarHBondContact OD1-N 3.41Å
162	Q	98.7	Very high	97.9	Very high	68 Å²	68	41.2 Å²	41.2	32%	0.318	21%	0.207	S	C	.	.	S	Bend	trans	57.1	53.2	173.5	-62.6	179.9	-8.5	0	0	111.9	K140 N141 E184 E185	K140-Q162 WeakPolarHBondContact CA-O 3.3Å; K140-Q162 HydrophobicContact CG-CB 3.92Å; K140-Q162 PolarHBondContact N-O 3.06Å; N141-Q162 PolarHBondContact N-O 3.08Å; Q162-E184 PolarHBondContact N-O 2.92Å; Q162-E185 VanDerWaalsContact CA-O 3.24Å; Q162-E185 WeakPolarHBondContact CA-O 3.46Å; Q162-E185 VanDerWaalsContact CD-OE2 3.3Å; Q162-E185 HydrophobicContact CG-CB 3.66Å; Q162-E185 HydrophobicContact CG-CG 4.23Å; Q162-E185 WeakPolarHBondContact CG-OE2 3.46Å; Q162-E185 PolarHBondContact N-O 3.15Å; Q162-E185 PolarHBondContact NE2-OE1 3.14Å; Q162-E185 PolarHBondContact NE2-OE2 3.19Å
163	N	98.8	Very high	98	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	18%	0.184	C	C	.	.	S	Bend	trans	-120.5	-167.3	171.8	-85.7	-82.6	0	0	0	109.3	L138 N141 Q142 I143 L160 N161 I165 N186	L138-N163 PolarHBondContact O-ND2 2.86Å; N141-N163 VanDerWaalsContact CA-OD1 3.25Å; N141-N163 WeakPolarHBondContact CA-OD1 3.45Å; N141-N163 WeakPolarHBondContact CB-OD1 3.2Å; N141-N163 PolarHBondContact N-OD1 3.48Å; N141-N163 PolarHBondContact O-OD1 2.99Å; Q142-N163 PolarHBondContact N-OD1 3.02Å; I143-N163 HydrophobicContact CB-CB 4.33Å; I143-N163 WeakPolarHBondContact CB-OD1 3.47Å; I143-N163 WeakPolarHBondContact CG1-OD1 3.38Å; I143-N163 PolarHBondContact N-OD1 3.01Å; L160-N163 PolarHBondContact O-ND2 2.95Å; N161-N163 PolarHBondContact O-N 3.2Å; N161-N163 PolarHBondContact O-ND2 2.88Å; N163-I165 HydrophobicContact CB-CD1 4.18Å; N163-I165 HydrophobicContact CB-CG1 3.92Å; N163-N186 VanDerWaalsContact CA-OD1 3.29Å; N163-N186 WeakPolarHBondContact CA-OD1 3.26Å; N163-N186 WeakPolarHBondContact CB-OD1 3.32Å; N163-N186 PolarHBondContact N-OD1 3.46Å; N163-N186 PolarHBondContact O-OD1 3.45Å
164	Q	98.4	Very high	98	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	21%	0.208	S	C	.	.			trans	-111.8	29.1	178.3	-64.2	167.2	31.5	0	0	110.7	I143 R144 S166	I143-Q164 CarbonylContact O-C 3.4Å; I143-Q164 WeakPolarHBondContact O-CA 3.39Å; I143-Q164 PolarHBondContact O-N 2.92Å; R144-Q164 WeakPolarHBondContact CA-O 3.23Å; R144-Q164 HydrophobicContact CG-CB 4.23Å; Q164-S166 PolarHBondContact O-N 3.06Å
165	I	98.6	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.			trans	-70	119.9	-170.7	-58	172.6	0	0	0	108.9	I143 R144 I146 L160 N163 I168 L183 N186 C187 L188	I143-I165 HydrophobicContact CB-CG1 4.41Å; I143-I165 HydrophobicContact CG2-CD1 4.39Å; I143-I165 HydrophobicContact CG2-CG1 4.15Å; I143-I165 WeakPolarHBondContact O-CG1 3.44Å; I143-I165 PolarHBondContact O-N 3.16Å; I143-I165 VanDerWaalsContact O-N 3.15Å; R144-I165 WeakPolarHBondContact O-CA 3.16Å; I146-I165 HydrophobicContact CD1-CD1 4.4Å; I146-I165 HydrophobicContact CG1-CD1 4.26Å; I146-I165 HydrophobicContact CG1-CG2 4.22Å; L160-I165 HydrophobicContact CB-CD1 3.75Å; L160-I165 HydrophobicContact CD1-CD1 3.96Å; L160-I165 HydrophobicContact CD2-CD1 4.16Å; L160-I165 HydrophobicContact CG-CD1 4.19Å; N163-I165 HydrophobicContact CB-CD1 4.18Å; N163-I165 HydrophobicContact CB-CG1 3.92Å; I165-I168 HydrophobicContact CG2-CG1 4.09Å; I165-L183 HydrophobicContact CD1-CD2 3.81Å; I165-N186 HydrophobicContact CB-CB 4.31Å; I165-N186 VanDerWaalsContact CB-OD1 3.28Å; I165-N186 WeakPolarHBondContact CB-OD1 3.22Å; I165-N186 VanDerWaalsContact CG1-OD1 3.31Å; I165-N186 WeakPolarHBondContact CG1-OD1 3.49Å; I165-N186 PolarHBondContact N-OD1 3.41Å; I165-C187 CarbonylContact O-C 3.53Å; I165-C187 WeakPolarHBondContact O-CA 3.35Å; I165-C187 PolarHBondContact O-N 3.39Å; I165-L188 HydrophobicContact CG2-CD2 3.88Å; I165-L188 WeakPolarHBondContact O-CG 3.45Å; I165-L188 PolarHBondContact O-N 3.36Å; I165-L188 VanDerWaalsContact O-N 3.15Å
166	S	97.6	Very high	97.8	Very high	50 Å²	50	39.1 Å²	39.1	35%	0.35	21%	0.211	S	C	.	.			trans	-116.3	-11.1	173.9	60.3	0	0	0	0	113.1	R144 Q164 C187 M192	R144-S166 PolarHBondContact O-N 3.15Å; Q164-S166 PolarHBondContact O-N 3.06Å; S166-C187 WeakPolarHBondContact CA-O 3.16Å; S166-M192 WeakPolarHBondContact O-CB 3.37Å; S166-M192 VanDerWaalsContact O-CG 3.31Å; S166-M192 WeakPolarHBondContact O-CG 3.34Å
167	Q	97.5	Very high	97.7	Very high	112 Å²	112	39.7 Å²	39.7	52%	0.523	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.4	-178.9	-66.6	-177.5	-11.4	0	0	111.8	S145 I146 M192	S145-Q167 WeakPolarHBondContact CA-O 3.42Å; I146-Q167 PolarHBondContact N-O 3.02Å; Q167-M192 HydrophobicContact CG-SD 4.41Å
168	I	97.6	Very high	97.7	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.6	176.2	-58.9	173.6	0	0	0	109.3	I146 I165 I172 L183 L188 L193 P194 I197	I146-I168 HydrophobicContact CB-CG2 4.35Å; I146-I168 HydrophobicContact CD1-CD1 4.43Å; I146-I168 HydrophobicContact CD1-CG1 3.98Å; I146-I168 HydrophobicContact CD1-CG2 4.17Å; I146-I168 HydrophobicContact CG1-CG1 4.34Å; I165-I168 HydrophobicContact CG2-CG1 4.09Å; I168-I172 HydrophobicContact CG2-CB 4.28Å; I168-I172 HydrophobicContact CG2-CG2 3.82Å; I168-L183 HydrophobicContact CD1-CD1 3.55Å; I168-L183 HydrophobicContact CD1-CD2 4.42Å; I168-L188 HydrophobicContact CD1-CD1 3.59Å; I168-L188 HydrophobicContact CD1-CD2 3.61Å; I168-L188 HydrophobicContact CD1-CG 4.26Å; I168-L188 HydrophobicContact CG1-CD2 3.69Å; I168-L193 HydrophobicContact CD1-CD1 4.25Å; I168-P194 HydrophobicContact CB-CG 4.27Å; I168-P194 HydrophobicContact CG2-CG 4.03Å; I168-P194 WeakPolarHBondContact O-CG 3.34Å; I168-I197 HydrophobicContact CG2-CD1 4.44Å
169	S	97.5	Very high	97.7	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.084	22%	0.217	C	C	.	.			trans	-64.9	139.7	170.7	174.4	0	0	0	0	111.9	I146 D148 K171 I172	I146-S169 VanDerWaalsContact O-CB 3.28Å; I146-S169 WeakPolarHBondContact O-CB 3.36Å; I146-S169 PolarHBondContact O-N 3.39Å; D148-S169 WeakPolarHBondContact CA-OG 3.46Å; D148-S169 WeakPolarHBondContact OD1-CB 3.39Å; D148-S169 PolarHBondContact OD1-OG 2.8Å; S169-K171 PolarHBondContact O-N 3.12Å; S169-K171 VanDerWaalsContact O-N 3.08Å; S169-K171 WeakPolarHBondContact OG-CB 3.49Å; S169-K171 WeakPolarHBondContact OG-CG 3.45Å; S169-K171 PolarHBondContact OG-N 2.85Å; S169-I172 WeakPolarHBondContact O-CG2 3.37Å; S169-I172 PolarHBondContact O-N 3.19Å; S169-I172 VanDerWaalsContact O-N 3.16Å
170	V	97.5	Very high	97.6	Very high	88 Å²	88	42 Å²	42	53%	0.533	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-57	-21.3	170.4	-57.3	0	0	0	0	113.1	I172 S173 P194	V170-I172 PolarHBondContact O-N 3.42Å; V170-S173 WeakPolarHBondContact O-CB 3.45Å; V170-S173 PolarHBondContact O-N 2.8Å; V170-S173 PolarHBondContact O-OG 3.31Å; V170-P194 HydrophobicContact CB-CB 4.48Å; V170-P194 HydrophobicContact CG1-CB 4.1Å; V170-P194 HydrophobicContact CG1-CG 4.26Å
171	K	97.9	Very high	97.6	Very high	96 Å²	96	42 Å²	42	42%	0.417	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-67.5	-15.8	179	-63.5	-62.5	-175.1	-179.7	0	113.4	D148 V150 G151 S169 S173 C174	D148-K171 HydrophobicContact CB-CG 3.99Å; D148-K171 VanDerWaalsContact O-CB 3.22Å; D148-K171 WeakPolarHBondContact O-CB 3.29Å; V150-K171 HydrophobicContact CG1-CB 4.39Å; G151-K171 VanDerWaalsContact CA-O 3.26Å; G151-K171 WeakPolarHBondContact CA-O 3.3Å; S169-K171 PolarHBondContact O-N 3.12Å; S169-K171 VanDerWaalsContact O-N 3.08Å; S169-K171 WeakPolarHBondContact OG-CB 3.49Å; S169-K171 WeakPolarHBondContact OG-CG 3.45Å; S169-K171 PolarHBondContact OG-N 2.85Å; K171-S173 PolarHBondContact O-N 2.77Å; K171-S173 VanDerWaalsContact O-N 3.17Å; K171-C174 VanDerWaalsContact O-CB 3.31Å; K171-C174 WeakPolarHBondContact O-CB 2.95Å; K171-C174 PolarHBondContact O-N 3.36Å
172	I	97.2	Very high	97.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55.4	-32.4	171.8	-166.3	69.3	0	0	0	111.9	I146 V150 I168 S169 V170 C174 C175 L178 L181 I197	I146-I172 HydrophobicContact CG2-CD1 4.3Å; V150-I172 HydrophobicContact CB-CD1 4.36Å; V150-I172 HydrophobicContact CG1-CB 3.99Å; V150-I172 HydrophobicContact CG1-CD1 3.93Å; V150-I172 HydrophobicContact CG2-CD1 3.49Å; V150-I172 VanDerWaalsContact CG2-CD1 3.49Å; I168-I172 HydrophobicContact CG2-CB 4.28Å; I168-I172 HydrophobicContact CG2-CG2 3.82Å; S169-I172 WeakPolarHBondContact O-CG2 3.37Å; S169-I172 PolarHBondContact O-N 3.19Å; S169-I172 VanDerWaalsContact O-N 3.16Å; V170-I172 PolarHBondContact O-N 3.42Å; I172-C174 PolarHBondContact O-N 3.21Å; I172-C175 WeakPolarHBondContact O-CB 3.38Å; I172-C175 PolarHBondContact O-N 3.35Å; I172-C175 PolarHBondContact O-SG 3.38Å; I172-L178 HydrophobicContact CD1-CD2 3.7Å; I172-L178 HydrophobicContact CG1-CD2 3.97Å; I172-L181 HydrophobicContact CG1-CD2 4.01Å; I172-I197 HydrophobicContact CG2-CD1 3.68Å; I172-I197 HydrophobicContact CG2-CG1 3.58Å
173	S	97	Very high	97.6	Very high	14 Å²	14	40.7 Å²	40.7	10%	0.098	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-70.2	-19.1	178.4	-52.7	0	0	0	0	113	V170 K171 S196 I197	V170-S173 WeakPolarHBondContact O-CB 3.45Å; V170-S173 PolarHBondContact O-N 2.8Å; V170-S173 PolarHBondContact O-OG 3.31Å; K171-S173 PolarHBondContact O-N 2.77Å; K171-S173 VanDerWaalsContact O-N 3.17Å; S173-S196 WeakPolarHBondContact OG-CB 3.09Å; S173-S196 PolarHBondContact OG-O 3.21Å; S173-S196 PolarHBondContact OG-OG 3.35Å; S173-I197 PolarHBondContact OG-N 3.39Å; S173-I197 VanDerWaalsContact OG-N 3.11Å
174	C	96.8	Very high	97.6	Very high	78 Å²	78	42.6 Å²	42.6	53%	0.527	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-85.5	-6.7	177.3	-55.7	0	0	0	0	113.3	K171 I172 P176	K171-C174 VanDerWaalsContact O-CB 3.31Å; K171-C174 WeakPolarHBondContact O-CB 2.95Å; K171-C174 PolarHBondContact O-N 3.36Å; I172-C174 PolarHBondContact O-N 3.21Å; C174-P176 WeakPolarHBondContact O-CD 3.4Å; C174-P176 VanDerWaalsContact O-N 3.14Å
175	C	96.7	Very high	97.6	Very high	2 Å²	2	44 Å²	44	1%	0.014	23%	0.225	C	C	.	.			trans	-59.5	117.8	-179.9	-64.9	0	0	0	0	110	V150 I172 R177 L178	V150-C175 PolarHBondContact O-SG 3.26Å; I172-C175 WeakPolarHBondContact O-CB 3.38Å; I172-C175 PolarHBondContact O-N 3.35Å; I172-C175 PolarHBondContact O-SG 3.38Å; C175-R177 VanDerWaalsContact C-N 3.29Å; C175-R177 PolarHBondContact O-N 3.48Å; C175-L178 HydrophobicContact CB-CB 3.48Å; C175-L178 VanDerWaalsContact CB-CB 3.48Å; C175-L178 HydrophobicContact CB-CD2 4.1Å; C175-L178 HydrophobicContact CB-CG 4.45Å
176	P	94.9	Very high	97.6	Very high	50 Å²	50	44.3 Å²	44.3	33%	0.325	23%	0.227	S	C	.	.	S	Bend	trans	-72.6	-20.6	-166.5	25.2	-33.9	0	0	0	114	Q154 C174 Q202	Q154-P176 VanDerWaalsContact CD-CG 3.49Å; Q154-P176 VanDerWaalsContact OE1-CG 3.31Å; C174-P176 WeakPolarHBondContact O-CD 3.4Å; C174-P176 VanDerWaalsContact O-N 3.14Å; P176-Q202 PolarHBondContact O-NE2 3.48Å; P176-Q202 PolarHBondContact O-OE1 3.16Å
177	R	96.5	Very high	97.6	Very high	71 Å²	71	44.4 Å²	44.4	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	-116.7	-10	-177.4	-65.4	-179.1	70.2	-142.7	-1.9	114.1	L133 D134 Q154 V155 C175 K179	L133-R177 PolarHBondContact O-NH1 3.04Å; D134-R177 IonicContact OD1-CZ 3.87Å; D134-R177 IonicContact OD1-NH1 2.8Å; D134-R177 IonicContact OD1-NH2 3.79Å; D134-R177 PolarHBondContact OD1-NH2 3.35Å; Q154-R177 PolarHBondContact O-NH1 3.02Å; V155-R177 CarbonylContact O-C 3.57Å; V155-R177 WeakPolarHBondContact O-CB 3.49Å; C175-R177 VanDerWaalsContact C-N 3.29Å; C175-R177 PolarHBondContact O-N 3.48Å; R177-K179 PolarHBondContact O-N 3.36Å
178	L	97.7	Very high	97.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.202	C	C	.	.			trans	-70.2	117.4	-170.1	-174.7	66.7	0	0	0	111	V155 L158 I172 C175 I180 Q202 I203	V155-L178 HydrophobicContact CG1-CD1 3.75Å; V155-L178 WeakPolarHBondContact O-CA 3.41Å; V155-L178 PolarHBondContact O-N 3.06Å; L158-L178 HydrophobicContact CB-CD1 3.74Å; I172-L178 HydrophobicContact CD1-CD2 3.7Å; I172-L178 HydrophobicContact CG1-CD2 3.97Å; C175-L178 HydrophobicContact CB-CB 3.48Å; C175-L178 VanDerWaalsContact CB-CB 3.48Å; C175-L178 HydrophobicContact CB-CD2 4.1Å; C175-L178 HydrophobicContact CB-CG 4.45Å; L178-I180 WeakPolarHBondContact CD1-O 3.46Å; L178-Q202 CarbonylContact O-C 3.48Å; L178-I203 HydrophobicContact CD2-CD1 3.96Å; L178-I203 HydrophobicContact CD2-CG1 4.16Å; L178-I203 HydrophobicContact CG-CD1 4.43Å; L178-I203 HydrophobicContact CG-CG1 4.09Å
179	K	97.6	Very high	97.6	Very high	76 Å²	76	43.3 Å²	43.3	33%	0.33	22%	0.221	S	C	.	.			trans	-112.2	-35.2	179.1	-61.7	-55.8	177.1	178.7	0	112.4	I156 R177 Q202 I203 C204 L205	I156-K179 HydrophobicContact CG2-CB 4.14Å; I156-K179 HydrophobicContact CG2-CG 4.14Å; I156-K179 PolarHBondContact O-N 3.18Å; R177-K179 PolarHBondContact O-N 3.36Å; K179-Q202 HydrophobicContact CD-CB 4.33Å; K179-Q202 VanDerWaalsContact CD-O 3.28Å; K179-Q202 WeakPolarHBondContact CD-O 3.36Å; K179-I203 WeakPolarHBondContact O-CA 3.22Å; K179-C204 PolarHBondContact O-N 3.46Å; K179-L205 PolarHBondContact O-N 3.13Å; K179-L205 VanDerWaalsContact O-N 3.08Å
180	I	98.4	Very high	97.5	Very high	35 Å²	35	44.5 Å²	44.5	18%	0.179	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	-174.3	-55.5	178.5	0	0	0	108.1	I156 E157 L158 L178 R182 L205	I156-I180 PolarHBondContact O-N 3.26Å; E157-I180 WeakPolarHBondContact CA-O 3.45Å; E157-I180 HydrophobicContact CB-CB 3.94Å; E157-I180 HydrophobicContact CB-CD1 4.45Å; E157-I180 HydrophobicContact CB-CG2 4.42Å; E157-I180 HydrophobicContact CG-CB 3.81Å; E157-I180 HydrophobicContact CG-CG2 3.73Å; L158-I180 PolarHBondContact N-O 3.46Å; L178-I180 WeakPolarHBondContact CD1-O 3.46Å; I180-R182 HydrophobicContact CG2-CG 4.11Å; I180-L205 WeakPolarHBondContact CA-O 3.05Å; I180-L205 HydrophobicContact CB-CB 4.45Å; I180-L205 HydrophobicContact CG1-CB 4.12Å; I180-L205 HydrophobicContact CG2-CB 4.21Å; I180-L205 HydrophobicContact CG2-CD1 4.24Å; I180-L205 HydrophobicContact CG2-CD2 4.11Å; I180-L205 HydrophobicContact CG2-CG 4.41Å
181	L	98.6	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.8	175.2	178.8	58.8	0	0	0	108.7	L158 L160 I172 L183 I197 I203 L205 L206 A207	L158-L181 HydrophobicContact CB-CD1 4.28Å; L158-L181 HydrophobicContact CD2-CD1 4.18Å; L158-L181 HydrophobicContact CG-CD1 4.34Å; L160-L181 HydrophobicContact CD1-CD1 4.44Å; I172-L181 HydrophobicContact CG1-CD2 4.01Å; L181-L183 HydrophobicContact CD1-CD1 4.25Å; L181-L183 HydrophobicContact CD1-CG 4.12Å; L181-L183 HydrophobicContact CD2-CD1 3.75Å; L181-L183 HydrophobicContact CD2-CG 4.49Å; L181-L183 HydrophobicContact CG-CD1 3.8Å; L181-L183 HydrophobicContact CG-CG 4.03Å; L181-I197 HydrophobicContact CD2-CD1 4.41Å; L181-I203 HydrophobicContact CB-CD1 4.16Å; L181-I203 HydrophobicContact CB-CG2 4.22Å; L181-I203 HydrophobicContact CD2-CD1 3.89Å; L181-L205 PolarHBondContact N-O 2.96Å; L181-L206 HydrophobicContact CB-CD1 4.21Å; L181-L206 HydrophobicContact CD2-CD1 4.03Å; L181-L206 HydrophobicContact CG-CD1 4.15Å; L181-L206 WeakPolarHBondContact O-CA 3.48Å; L181-A207 PolarHBondContact O-N 3Å
182	R	98.8	Very high	97.3	Very high	64 Å²	64	43.9 Å²	43.9	24%	0.242	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.8	177.6	-44.6	178.5	171	-84.9	-2.6	109.7	E157 L158 N159 L160 N161 I180 A207	E157-R182 IonicContact OE1-CZ 3.52Å; E157-R182 IonicContact OE1-NE 2.78Å; E157-R182 PolarHBondContact OE1-NE 3.38Å; E157-R182 IonicContact OE1-NH2 3.34Å; E157-R182 PolarHBondContact OE1-NH2 3.21Å; L158-R182 PolarHBondContact O-N 3.17Å; N159-R182 HydrophobicContact CB-CB 4.45Å; L160-R182 CarbonylContact C-O 3.54Å; L160-R182 WeakPolarHBondContact CA-O 3.34Å; L160-R182 WeakPolarHBondContact CB-O 3.14Å; L160-R182 PolarHBondContact N-O 2.95Å; N161-R182 WeakPolarHBondContact OD1-CB 3.31Å; N161-R182 PolarHBondContact OD1-O 2.88Å; I180-R182 HydrophobicContact CG2-CG 4.11Å; R182-A207 HydrophobicContact CB-CB 4.35Å
183	L	98.4	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.			trans	-136.7	23.3	-174.4	-71.2	165.2	0	0	0	110.7	I146 L160 N161 I165 I168 L181 N186 L188 L206 A207 V208 N211	I146-L183 HydrophobicContact CD1-CD2 4.06Å; L160-L183 HydrophobicContact CB-CD2 3.88Å; L160-L183 HydrophobicContact CD1-CD2 4.04Å; N161-L183 PolarHBondContact OD1-N 2.8Å; N161-L183 VanDerWaalsContact OD1-N 3.12Å; I165-L183 HydrophobicContact CD1-CD2 3.81Å; I168-L183 HydrophobicContact CD1-CD1 3.55Å; I168-L183 HydrophobicContact CD1-CD2 4.42Å; L181-L183 HydrophobicContact CD1-CD1 4.25Å; L181-L183 HydrophobicContact CD1-CG 4.12Å; L181-L183 HydrophobicContact CD2-CD1 3.75Å; L181-L183 HydrophobicContact CD2-CG 4.49Å; L181-L183 HydrophobicContact CG-CD1 3.8Å; L181-L183 HydrophobicContact CG-CG 4.03Å; L183-N186 PolarHBondContact O-ND2 3.24Å; L183-N186 VanDerWaalsContact O-ND2 3.13Å; L183-L188 HydrophobicContact CB-CD1 4.14Å; L183-L188 HydrophobicContact CD1-CD1 4.13Å; L183-L206 HydrophobicContact CD1-CD1 4.37Å; L183-A207 CarbonylContact C-O 3.59Å; L183-A207 WeakPolarHBondContact CA-O 3.34Å; L183-A207 PolarHBondContact N-O 3.02Å; L183-V208 HydrophobicContact CB-CG1 4.1Å; L183-V208 HydrophobicContact CD1-CG1 4.34Å; L183-N211 PolarHBondContact O-ND2 3.45Å
184	E	98.5	Very high	97.2	Very high	50 Å²	50	44.2 Å²	44.2	23%	0.234	23%	0.232	C	C	.	.			trans	-62.6	149	-179.2	-59	169.7	86.7	0	0	110.6	N161 Q162 N186 A207 E209	N161-E184 CarbonylContact C-O 3.11Å; N161-E184 WeakPolarHBondContact CA-O 3.34Å; N161-E184 HydrophobicContact CB-CB 4.38Å; N161-E184 PolarHBondContact ND2-OE2 2.84Å; N161-E184 WeakPolarHBondContact OD1-CB 3.39Å; N161-E184 PolarHBondContact OD1-N 3.41Å; Q162-E184 PolarHBondContact N-O 2.92Å; E184-N186 PolarHBondContact O-N 3.05Å; E184-N186 PolarHBondContact O-ND2 2.93Å; E184-N186 VanDerWaalsContact O-ND2 3.1Å; E184-A207 HydrophobicContact CG-CB 3.68Å; E184-E209 CarbonylContact C-O 3.4Å; E184-E209 WeakPolarHBondContact CA-O 3.35Å; E184-E209 WeakPolarHBondContact CB-O 3.23Å; E184-E209 HydrophobicContact CG-CB 4.25Å
185	E	98.3	Very high	97.1	Very high	108 Å²	108	44.7 Å²	44.7	51%	0.505	23%	0.226	S	C	.	.	S	Bend	trans	53.3	56.7	176.8	-61.9	176.3	-131.7	0	0	112.6	Q162 E209 G210	Q162-E185 VanDerWaalsContact CA-O 3.24Å; Q162-E185 WeakPolarHBondContact CA-O 3.46Å; Q162-E185 VanDerWaalsContact CD-OE2 3.3Å; Q162-E185 HydrophobicContact CG-CB 3.66Å; Q162-E185 HydrophobicContact CG-CG 4.23Å; Q162-E185 WeakPolarHBondContact CG-OE2 3.46Å; Q162-E185 PolarHBondContact N-O 3.15Å; Q162-E185 PolarHBondContact NE2-OE1 3.14Å; Q162-E185 PolarHBondContact NE2-OE2 3.19Å; E185-E209 PolarHBondContact N-O 3.46Å; E185-G210 WeakPolarHBondContact CA-O 3.14Å
186	N	98.6	Very high	97.2	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.043	23%	0.234	C	C	.	.	S	Bend	trans	-122.6	-171.7	175.5	-87.5	-82.8	0	0	0	110.7	L160 N163 I165 L183 E184 L188 N211	L160-N186 PolarHBondContact O-ND2 3.04Å; N163-N186 VanDerWaalsContact CA-OD1 3.29Å; N163-N186 WeakPolarHBondContact CA-OD1 3.26Å; N163-N186 WeakPolarHBondContact CB-OD1 3.32Å; N163-N186 PolarHBondContact N-OD1 3.46Å; N163-N186 PolarHBondContact O-OD1 3.45Å; I165-N186 HydrophobicContact CB-CB 4.31Å; I165-N186 VanDerWaalsContact CB-OD1 3.28Å; I165-N186 WeakPolarHBondContact CB-OD1 3.22Å; I165-N186 VanDerWaalsContact CG1-OD1 3.31Å; I165-N186 WeakPolarHBondContact CG1-OD1 3.49Å; I165-N186 PolarHBondContact N-OD1 3.41Å; L183-N186 PolarHBondContact O-ND2 3.24Å; L183-N186 VanDerWaalsContact O-ND2 3.13Å; E184-N186 PolarHBondContact O-N 3.05Å; E184-N186 PolarHBondContact O-ND2 2.93Å; E184-N186 VanDerWaalsContact O-ND2 3.1Å; N186-L188 HydrophobicContact CB-CG 4.45Å; N186-N211 WeakPolarHBondContact CA-OD1 3.49Å; N186-N211 WeakPolarHBondContact CB-OD1 3.46Å; N186-N211 PolarHBondContact O-OD1 3.2Å
187	C	97.9	Very high	97.3	Very high	52 Å²	52	43.4 Å²	43.4	35%	0.351	22%	0.219	S	C	.	.			trans	-106.9	29.2	-179	-57.3	0	0	0	0	112.3	I165 S166 L212	I165-C187 CarbonylContact O-C 3.53Å; I165-C187 WeakPolarHBondContact O-CA 3.35Å; I165-C187 PolarHBondContact O-N 3.39Å; S166-C187 WeakPolarHBondContact CA-O 3.16Å; C187-L212 HydrophobicContact CB-CD1 4.29Å; C187-L212 WeakPolarHBondContact O-CD1 3.37Å
188	L	97.1	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.			trans	-76.5	130.1	-177.5	-62.9	165.2	0	0	0	110.5	I165 I168 L183 N186 N211 L212 F213	I165-L188 HydrophobicContact CG2-CD2 3.88Å; I165-L188 WeakPolarHBondContact O-CG 3.45Å; I165-L188 PolarHBondContact O-N 3.36Å; I165-L188 VanDerWaalsContact O-N 3.15Å; I168-L188 HydrophobicContact CD1-CD1 3.59Å; I168-L188 HydrophobicContact CD1-CD2 3.61Å; I168-L188 HydrophobicContact CD1-CG 4.26Å; I168-L188 HydrophobicContact CG1-CD2 3.69Å; L183-L188 HydrophobicContact CB-CD1 4.14Å; L183-L188 HydrophobicContact CD1-CD1 4.13Å; N186-L188 HydrophobicContact CB-CG 4.45Å; L188-N211 HydrophobicContact CB-CB 4.14Å; L188-N211 WeakPolarHBondContact CB-OD1 3.45Å; L188-N211 WeakPolarHBondContact CG-OD1 3.15Å; L188-N211 PolarHBondContact N-OD1 3.14Å; L188-L212 WeakPolarHBondContact O-CA 3.4Å; L188-L212 WeakPolarHBondContact O-CB 3.32Å; L188-L212 PolarHBondContact O-N 3.09Å; L188-F213 HydrophobicContact CB-CE1 4.27Å; L188-F213 WeakPolarHBondContact O-CD1 3.2Å
189	E	97.3	Very high	97.2	Very high	104 Å²	104	41.3 Å²	41.3	49%	0.486	22%	0.215	S	C	.	.			trans	-83	154.5	159.1	-65.7	178.6	-161.3	0	0	109.6	S191 M192 L212	E189-S191 PolarHBondContact O-N 2.89Å; E189-M192 HydrophobicContact CB-CG 4.27Å; E189-M192 WeakPolarHBondContact O-CB 3.3Å; E189-M192 PolarHBondContact O-N 3.42Å; E189-L212 HydrophobicContact CG-CB 4.36Å; E189-L212 HydrophobicContact CG-CD1 4.37Å
190	L	95.8	Very high	97.1	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.194	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58.9	-35.1	179.7	-172.8	65.3	0	0	0	112.4	M192 L193 F213 K217 L221	L190-M192 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 3.25Å; L190-F213 HydrophobicContact CB-CB 3.84Å; L190-F213 HydrophobicContact CB-CD1 4.21Å; L190-F213 HydrophobicContact CB-CD2 4.39Å; L190-F213 HydrophobicContact CB-CG 3.9Å; L190-F213 HydrophobicContact CD1-CD2 3.75Å; L190-F213 HydrophobicContact CD1-CE2 3.9Å; L190-F213 HydrophobicContact CD1-CG 4.11Å; L190-F213 HydrophobicContact CD1-CZ 4.37Å; L190-K217 HydrophobicContact CD2-CB 3.62Å; L190-K217 HydrophobicContact CD2-CD 4.4Å; L190-L221 HydrophobicContact CD1-CD1 3.78Å; L190-L221 HydrophobicContact CD1-CG 4.31Å; L190-L221 HydrophobicContact CD2-CD2 4.3Å; L190-L221 HydrophobicContact CG-CD1 4.29Å; L190-L221 HydrophobicContact CG-CD2 4.37Å
191	S	94.9	Very high	97	Very high	94 Å²	94	42 Å²	42	66%	0.657	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-62.8	-25.7	176.7	54.3	0	0	0	0	113.3	E189	E189-S191 PolarHBondContact O-N 2.89Å
192	M	96.2	Very high	96.8	Very high	77 Å²	77	46 Å²	46	38%	0.379	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-89.8	-3.3	-178.4	-63.2	-65.3	176.4	0	0	112.7	S166 Q167 E189 L190 P194	S166-M192 WeakPolarHBondContact O-CB 3.37Å; S166-M192 VanDerWaalsContact O-CG 3.31Å; S166-M192 WeakPolarHBondContact O-CG 3.34Å; Q167-M192 HydrophobicContact CG-SD 4.41Å; E189-M192 HydrophobicContact CB-CG 4.27Å; E189-M192 WeakPolarHBondContact O-CB 3.3Å; E189-M192 PolarHBondContact O-N 3.42Å; L190-M192 PolarHBondContact O-N 2.9Å; M192-P194 VanDerWaalsContact O-CD 3.29Å; M192-P194 WeakPolarHBondContact O-CD 3.43Å
193	L	95.7	Very high	96.7	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	-87.2	112.6	172.7	-172.3	75.4	0	0	0	109.4	I168 L190 Q195 I197 L206 V208 L218 L221	I168-L193 HydrophobicContact CD1-CD1 4.25Å; L190-L193 PolarHBondContact O-N 3.25Å; L193-Q195 PolarHBondContact O-N 3.06Å; L193-I197 HydrophobicContact CD1-CD1 3.94Å; L193-L206 HydrophobicContact CD2-CD2 4.46Å; L193-V208 HydrophobicContact CD1-CG1 4.45Å; L193-L218 HydrophobicContact CD2-CD1 3.46Å; L193-L218 VanDerWaalsContact CD2-CD1 3.46Å; L193-L221 HydrophobicContact CD2-CD1 4.4Å
194	P	96.2	Very high	96.6	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.097	24%	0.235	C	C	.	.			trans	-61.5	123.5	177.6	-25.1	35.6	0	0	0	111.6	I168 V170 M192 S196 I197	I168-P194 HydrophobicContact CB-CG 4.27Å; I168-P194 HydrophobicContact CG2-CG 4.03Å; I168-P194 WeakPolarHBondContact O-CG 3.34Å; V170-P194 HydrophobicContact CB-CB 4.48Å; V170-P194 HydrophobicContact CG1-CB 4.1Å; V170-P194 HydrophobicContact CG1-CG 4.26Å; M192-P194 VanDerWaalsContact O-CD 3.29Å; M192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-S196 PolarHBondContact O-N 2.89Å; P194-S196 VanDerWaalsContact O-N 3.15Å; P194-I197 HydrophobicContact CB-CD1 4.41Å; P194-I197 HydrophobicContact CB-CG1 4.32Å; P194-I197 HydrophobicContact CG-CD1 4.36Å; P194-I197 VanDerWaalsContact O-CB 3.29Å; P194-I197 WeakPolarHBondContact O-CB 3.28Å; P194-I197 WeakPolarHBondContact O-CG1 3.47Å; P194-I197 PolarHBondContact O-N 2.99Å
195	Q	96.1	Very high	96.6	Very high	88 Å²	88	43.6 Å²	43.6	41%	0.411	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	174.9	-67.2	179.5	4.9	0	0	112.4	L193 I197 L198 S199	L193-Q195 PolarHBondContact O-N 3.06Å; Q195-I197 PolarHBondContact O-N 2.83Å; Q195-I197 VanDerWaalsContact O-N 3.13Å; Q195-L198 WeakPolarHBondContact O-CA 3.24Å; Q195-L198 WeakPolarHBondContact O-CB 3.2Å; Q195-L198 PolarHBondContact O-N 3.24Å; Q195-S199 PolarHBondContact O-N 3.12Å; Q195-S199 PolarHBondContact O-OG 3.24Å
196	S	97	Very high	96.5	Very high	26 Å²	26	39 Å²	39	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-23.9	172.6	62.8	0	0	0	0	113.4	S173 P194 L198 S199 D200 S201	S173-S196 WeakPolarHBondContact OG-CB 3.09Å; S173-S196 PolarHBondContact OG-O 3.21Å; S173-S196 PolarHBondContact OG-OG 3.35Å; P194-S196 PolarHBondContact O-N 2.89Å; P194-S196 VanDerWaalsContact O-N 3.15Å; S196-L198 PolarHBondContact O-N 3.4Å; S196-S199 WeakPolarHBondContact CA-OG 3.49Å; S196-D200 PolarHBondContact O-N 3.34Å; S196-S201 PolarHBondContact O-N 3.12Å
197	I	97.1	Very high	96.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-39.5	170.4	-67.8	172.5	0	0	0	109.8	I168 I172 S173 L181 L193 P194 Q195 S201 I203 L206 R230	I168-I197 HydrophobicContact CG2-CD1 4.44Å; I172-I197 HydrophobicContact CG2-CD1 3.68Å; I172-I197 HydrophobicContact CG2-CG1 3.58Å; S173-I197 PolarHBondContact OG-N 3.39Å; S173-I197 VanDerWaalsContact OG-N 3.11Å; L181-I197 HydrophobicContact CD2-CD1 4.41Å; L193-I197 HydrophobicContact CD1-CD1 3.94Å; P194-I197 HydrophobicContact CB-CD1 4.41Å; P194-I197 HydrophobicContact CB-CG1 4.32Å; P194-I197 HydrophobicContact CG-CD1 4.36Å; P194-I197 VanDerWaalsContact O-CB 3.29Å; P194-I197 WeakPolarHBondContact O-CB 3.28Å; P194-I197 WeakPolarHBondContact O-CG1 3.47Å; P194-I197 PolarHBondContact O-N 2.99Å; Q195-I197 PolarHBondContact O-N 2.83Å; Q195-I197 VanDerWaalsContact O-N 3.13Å; I197-S201 WeakPolarHBondContact O-CB 3.31Å; I197-S201 PolarHBondContact O-OG 2.99Å; I197-I203 HydrophobicContact CG1-CD1 4.48Å; I197-I203 HydrophobicContact CG2-CD1 3.84Å; I197-L206 HydrophobicContact CG2-CD1 4.31Å; I197-L206 HydrophobicContact CG2-CD2 3.91Å; I197-R230 PolarHBondContact O-NH2 2.83Å
198	L	97.1	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-81.4	-42.9	-178.4	-51.8	179.8	0	0	0	111.6	Q195 S196 L206 L218 L221 G223 Y227 R230	Q195-L198 WeakPolarHBondContact O-CA 3.24Å; Q195-L198 WeakPolarHBondContact O-CB 3.2Å; Q195-L198 PolarHBondContact O-N 3.24Å; S196-L198 PolarHBondContact O-N 3.4Å; L198-L206 HydrophobicContact CD2-CD2 3.96Å; L198-L218 HydrophobicContact CD1-CD1 4.26Å; L198-L221 HydrophobicContact CD1-CB 3.74Å; L198-L221 HydrophobicContact CD1-CD1 4.02Å; L198-G223 CarbonylContact C-O 3.13Å; L198-Y227 HydrophobicContact CD2-CD1 4.36Å; L198-Y227 HydrophobicContact CD2-CG 4.09Å; L198-R230 VanDerWaalsContact O-CZ 3.26Å; L198-R230 PolarHBondContact O-NH1 3.23Å; L198-R230 PolarHBondContact O-NH2 3.15Å
199	S	95.4	Very high	96.5	Very high	28 Å²	28	41.1 Å²	41.1	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-85	-47.7	-174.4	50.4	0	0	0	0	115	Q195 S196	Q195-S199 PolarHBondContact O-N 3.12Å; Q195-S199 PolarHBondContact O-OG 3.24Å; S196-S199 WeakPolarHBondContact CA-OG 3.49Å
200	D	95.3	Very high	96.4	Very high	117 Å²	117	39 Å²	39	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-11.3	-159.2	-50.8	-53.5	0	0	0	113.6	S196	S196-D200 PolarHBondContact O-N 3.34Å
201	S	96.3	Very high	96.5	Very high	8 Å²	8	38 Å²	38	6%	0.056	22%	0.222	C	C	.	.			trans	-83.5	168.3	-177.3	90.4	0	0	0	0	113.8	S196 I197 I203 R230	S196-S201 PolarHBondContact O-N 3.12Å; I197-S201 WeakPolarHBondContact O-CB 3.31Å; I197-S201 PolarHBondContact O-OG 2.99Å; S201-I203 VanDerWaalsContact C-N 3.35Å; S201-I203 WeakPolarHBondContact OG-CB 3.47Å; S201-I203 PolarHBondContact OG-N 2.8Å; S201-R230 PolarHBondContact O-NE 2.85Å
202	Q	95.1	Very high	96.6	Very high	85 Å²	85	39 Å²	39	40%	0.397	22%	0.218	S	C	.	.			trans	-88.4	-0.4	171.3	-69.4	-167.6	43.8	0	0	114	P176 L178 K179 C204	P176-Q202 PolarHBondContact O-NE2 3.48Å; P176-Q202 PolarHBondContact O-OE1 3.16Å; L178-Q202 CarbonylContact O-C 3.48Å; K179-Q202 HydrophobicContact CD-CB 4.33Å; K179-Q202 VanDerWaalsContact CD-O 3.28Å; K179-Q202 WeakPolarHBondContact CD-O 3.36Å; Q202-C204 PolarHBondContact O-N 2.77Å
203	I	97.3	Very high	96.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.206	C	C	.	.			trans	-68.1	122.4	-176.1	-63	162.2	0	0	0	108.6	L178 K179 L181 I197 S201 L205 L206 R230	L178-I203 HydrophobicContact CD2-CD1 3.96Å; L178-I203 HydrophobicContact CD2-CG1 4.16Å; L178-I203 HydrophobicContact CG-CD1 4.43Å; L178-I203 HydrophobicContact CG-CG1 4.09Å; K179-I203 WeakPolarHBondContact O-CA 3.22Å; L181-I203 HydrophobicContact CB-CD1 4.16Å; L181-I203 HydrophobicContact CB-CG2 4.22Å; L181-I203 HydrophobicContact CD2-CD1 3.89Å; I197-I203 HydrophobicContact CG1-CD1 4.48Å; I197-I203 HydrophobicContact CG2-CD1 3.84Å; S201-I203 VanDerWaalsContact C-N 3.35Å; S201-I203 WeakPolarHBondContact OG-CB 3.47Å; S201-I203 PolarHBondContact OG-N 2.8Å; I203-L205 WeakPolarHBondContact CG2-O 3.32Å; I203-L206 HydrophobicContact CG2-CB 4.21Å; I203-R230 PolarHBondContact O-NE 3.28Å; I203-R230 PolarHBondContact O-NH2 3.41Å
204	C	96.4	Very high	96.6	Very high	12 Å²	12	42.1 Å²	42.1	8%	0.081	23%	0.232	C	C	.	.			trans	-113.5	-10	177.9	64.1	0	0	0	0	112.9	K179 Q202 R230 F231 T234	K179-C204 PolarHBondContact O-N 3.46Å; Q202-C204 PolarHBondContact O-N 2.77Å; C204-R230 HydrophobicContact CB-CB 4.05Å; C204-F231 VanDerWaalsContact O-CA 3.25Å; C204-F231 WeakPolarHBondContact O-CA 3.43Å; C204-F231 WeakPolarHBondContact O-CB 3.25Å; C204-F231 VanDerWaalsContact O-CD2 3.25Å; C204-F231 WeakPolarHBondContact O-CD2 3.24Å; C204-T234 WeakPolarHBondContact CB-OG1 3.42Å; C204-T234 PolarHBondContact SG-OG1 3.26Å; C204-T234 VanDerWaalsContact SG-OG1 3.38Å
205	L	97.1	Very high	96.3	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.5	168.7	-167	171	0	0	0	108.3	K179 I180 L181 I203 A207	K179-L205 PolarHBondContact O-N 3.13Å; K179-L205 VanDerWaalsContact O-N 3.08Å; I180-L205 WeakPolarHBondContact CA-O 3.05Å; I180-L205 HydrophobicContact CB-CB 4.45Å; I180-L205 HydrophobicContact CG1-CB 4.12Å; I180-L205 HydrophobicContact CG2-CB 4.21Å; I180-L205 HydrophobicContact CG2-CD1 4.24Å; I180-L205 HydrophobicContact CG2-CD2 4.11Å; I180-L205 HydrophobicContact CG2-CG 4.41Å; L181-L205 PolarHBondContact N-O 2.96Å; I203-L205 WeakPolarHBondContact CG2-O 3.32Å; L205-A207 HydrophobicContact CD2-CB 4.23Å
206	L	97.4	Very high	96.2	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.9	173.9	178.8	65.3	0	0	0	108.5	L181 L183 L193 I197 L198 I203 V208 Y227	L181-L206 HydrophobicContact CB-CD1 4.21Å; L181-L206 HydrophobicContact CD2-CD1 4.03Å; L181-L206 HydrophobicContact CG-CD1 4.15Å; L181-L206 WeakPolarHBondContact O-CA 3.48Å; L183-L206 HydrophobicContact CD1-CD1 4.37Å; L193-L206 HydrophobicContact CD2-CD2 4.46Å; I197-L206 HydrophobicContact CG2-CD1 4.31Å; I197-L206 HydrophobicContact CG2-CD2 3.91Å; L198-L206 HydrophobicContact CD2-CD2 3.96Å; I203-L206 HydrophobicContact CG2-CB 4.21Å; L206-V208 HydrophobicContact CD1-CG1 3.72Å; L206-V208 HydrophobicContact CD2-CG1 4.24Å; L206-V208 HydrophobicContact CG-CG1 3.77Å; L206-Y227 HydrophobicContact CB-CE2 3.82Å; L206-Y227 PolarHBondContact N-OH 2.91Å; L206-Y227 PolarHBondContact O-OH 3.12Å
207	A	97.4	Very high	96.1	Very high	6 Å²	6	50.8 Å²	50.8	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.9	173.7	0	0	0	0	0	108.8	L181 R182 L183 E184 L205 E209	L181-A207 PolarHBondContact O-N 3Å; R182-A207 HydrophobicContact CB-CB 4.35Å; L183-A207 CarbonylContact C-O 3.59Å; L183-A207 WeakPolarHBondContact CA-O 3.34Å; L183-A207 PolarHBondContact N-O 3.02Å; E184-A207 HydrophobicContact CG-CB 3.68Å; L205-A207 HydrophobicContact CD2-CB 4.23Å; A207-E209 WeakPolarHBondContact CA-OE2 3.36Å
208	V	97.3	Very high	95.9	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.012	27%	0.268	C	S	.	.			trans	-139.9	14.6	-172.7	-68.7	0	0	0	0	112	L183 L193 L206 N211 F213 I215 L218	L183-V208 HydrophobicContact CB-CG1 4.1Å; L183-V208 HydrophobicContact CD1-CG1 4.34Å; L193-V208 HydrophobicContact CD1-CG1 4.45Å; L206-V208 HydrophobicContact CD1-CG1 3.72Å; L206-V208 HydrophobicContact CD2-CG1 4.24Å; L206-V208 HydrophobicContact CG-CG1 3.77Å; V208-N211 PolarHBondContact O-ND2 3.34Å; V208-F213 HydrophobicContact CB-CZ 4.01Å; V208-F213 HydrophobicContact CG2-CE2 4.26Å; V208-F213 HydrophobicContact CG2-CZ 3.91Å; V208-I215 HydrophobicContact CG2-CD1 3.57Å; V208-L218 HydrophobicContact CG2-CD2 3.87Å
209	E	97.2	Very high	95.7	Very high	96 Å²	96	59 Å²	59	45%	0.449	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	145.7	177.2	-67.8	83.5	172.3	0	0	111.6	E184 E185 A207 N211	E184-E209 CarbonylContact C-O 3.4Å; E184-E209 WeakPolarHBondContact CA-O 3.35Å; E184-E209 WeakPolarHBondContact CB-O 3.23Å; E184-E209 HydrophobicContact CG-CB 4.25Å; E185-E209 PolarHBondContact N-O 3.46Å; A207-E209 WeakPolarHBondContact CA-OE2 3.36Å; E209-N211 PolarHBondContact O-N 3.38Å
210	G	96.7	Very high	95.7	Very high	59 Å²	59	65.1 Å²	65.1	61%	0.608	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	19.6	178	0	0	0	0	0	115.4	E185	E185-G210 WeakPolarHBondContact CA-O 3.14Å
211	N	97.9	Very high	95.7	Very high	18 Å²	18	61 Å²	61	10%	0.096	30%	0.301	C	S	.	.	S	Bend	trans	-89.7	-179.4	167.9	-80.5	-78.1	0	0	0	112.2	L183 N186 L188 V208 E209 F213	L183-N211 PolarHBondContact O-ND2 3.45Å; N186-N211 WeakPolarHBondContact CA-OD1 3.49Å; N186-N211 WeakPolarHBondContact CB-OD1 3.46Å; N186-N211 PolarHBondContact O-OD1 3.2Å; L188-N211 HydrophobicContact CB-CB 4.14Å; L188-N211 WeakPolarHBondContact CB-OD1 3.45Å; L188-N211 WeakPolarHBondContact CG-OD1 3.15Å; L188-N211 PolarHBondContact N-OD1 3.14Å; V208-N211 PolarHBondContact O-ND2 3.34Å; E209-N211 PolarHBondContact O-N 3.38Å; N211-F213 HydrophobicContact CB-CD1 3.83Å; N211-F213 HydrophobicContact CB-CE1 3.5Å; N211-F213 VanDerWaalsContact CB-CE1 3.5Å; N211-F213 HydrophobicContact CB-CZ 4.22Å; N211-F213 PolarHBondContact O-N 3.06Å
212	L	97.1	Very high	95.6	Very high	113 Å²	113	67.9 Å²	67.9	59%	0.592	33%	0.332	S	S	*	.	S	Bend	trans	-79.2	32.9	-177.4	-54	177.2	0	0	0	113.1	C187 L188 E189	C187-L212 HydrophobicContact CB-CD1 4.29Å; C187-L212 WeakPolarHBondContact O-CD1 3.37Å; L188-L212 WeakPolarHBondContact O-CA 3.4Å; L188-L212 WeakPolarHBondContact O-CB 3.32Å; L188-L212 PolarHBondContact O-N 3.09Å; E189-L212 HydrophobicContact CG-CB 4.36Å; E189-L212 HydrophobicContact CG-CD1 4.37Å
213	F	96.4	Very high	95.6	Very high	29 Å²	29	64.6 Å²	64.6	13%	0.127	32%	0.321	C	S	.	.	S	Bend	trans	-150.3	154.5	175.1	63.5	-90.7	0	0	0	111.5	L188 L190 V208 N211	L188-F213 HydrophobicContact CB-CE1 4.27Å; L188-F213 WeakPolarHBondContact O-CD1 3.2Å; L190-F213 HydrophobicContact CB-CB 3.84Å; L190-F213 HydrophobicContact CB-CD1 4.21Å; L190-F213 HydrophobicContact CB-CD2 4.39Å; L190-F213 HydrophobicContact CB-CG 3.9Å; L190-F213 HydrophobicContact CD1-CD2 3.75Å; L190-F213 HydrophobicContact CD1-CE2 3.9Å; L190-F213 HydrophobicContact CD1-CG 4.11Å; L190-F213 HydrophobicContact CD1-CZ 4.37Å; V208-F213 HydrophobicContact CB-CZ 4.01Å; V208-F213 HydrophobicContact CG2-CE2 4.26Å; V208-F213 HydrophobicContact CG2-CZ 3.91Å; N211-F213 HydrophobicContact CB-CD1 3.83Å; N211-F213 HydrophobicContact CB-CE1 3.5Å; N211-F213 VanDerWaalsContact CB-CE1 3.5Å; N211-F213 HydrophobicContact CB-CZ 4.22Å; N211-F213 PolarHBondContact O-N 3.06Å
214	E	93.8	Very high	95.6	Very high	121 Å²	121	66.2 Å²	66.2	57%	0.565	33%	0.327	S	S	*	.			trans	-74.3	128.2	173.4	-69.5	176.1	-140.4	0	0	110.9	K216 K217	E214-K216 PolarHBondContact O-N 3.08Å; E214-K217 HydrophobicContact CB-CG 4.35Å; E214-K217 WeakPolarHBondContact O-CB 3.27Å; E214-K217 PolarHBondContact O-N 3.09Å
215	I	91.7	Very high	95.6	Very high	72 Å²	72	71.5 Å²	71.5	37%	0.369	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-56.8	-24.3	-179	-162.7	63.6	0	0	0	113.6	V208 K217 L218	V208-I215 HydrophobicContact CG2-CD1 3.57Å; I215-K217 VanDerWaalsContact C-N 3.3Å; I215-K217 PolarHBondContact O-N 3.17Å; I215-L218 HydrophobicContact CD1-CD2 3.94Å; I215-L218 WeakPolarHBondContact O-CB 3.24Å; I215-L218 PolarHBondContact O-N 2.95Å
216	K	93.3	Very high	95.5	Very high	143 Å²	143	74.5 Å²	74.5	62%	0.622	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.5	-35.2	177.1	-66.1	179.6	-177.1	174.1	0	112.1	E214 L218 R219	E214-K216 PolarHBondContact O-N 3.08Å; K216-L218 PolarHBondContact O-N 3.09Å; K216-R219 WeakPolarHBondContact O-CB 3.39Å; K216-R219 WeakPolarHBondContact O-CG 3.37Å; K216-R219 PolarHBondContact O-N 3Å; K216-R219 VanDerWaalsContact O-N 3.11Å
217	K	94.4	Very high	95.5	Very high	95 Å²	95	74.5 Å²	74.5	41%	0.413	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-66.7	-22.4	178.5	-62.4	-176.4	178.2	-179.8	0	112.7	L190 E214 I215 R219 E220	L190-K217 HydrophobicContact CD2-CB 3.62Å; L190-K217 HydrophobicContact CD2-CD 4.4Å; E214-K217 HydrophobicContact CB-CG 4.35Å; E214-K217 WeakPolarHBondContact O-CB 3.27Å; E214-K217 PolarHBondContact O-N 3.09Å; I215-K217 VanDerWaalsContact C-N 3.3Å; I215-K217 PolarHBondContact O-N 3.17Å; K217-R219 PolarHBondContact O-N 2.92Å; K217-E220 WeakPolarHBondContact O-CB 3.29Å; K217-E220 PolarHBondContact O-N 2.99Å; K217-E220 VanDerWaalsContact O-N 3.13Å
218	L	93.4	Very high	95.4	Very high	9 Å²	9	76.9 Å²	76.9	5%	0.047	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-59.4	-32	173.5	-173.6	63.4	0	0	0	111.8	L193 L198 V208 I215 K216 E220 L221 Y224	L193-L218 HydrophobicContact CD2-CD1 3.46Å; L193-L218 VanDerWaalsContact CD2-CD1 3.46Å; L198-L218 HydrophobicContact CD1-CD1 4.26Å; V208-L218 HydrophobicContact CG2-CD2 3.87Å; I215-L218 HydrophobicContact CD1-CD2 3.94Å; I215-L218 WeakPolarHBondContact O-CB 3.24Å; I215-L218 PolarHBondContact O-N 2.95Å; K216-L218 PolarHBondContact O-N 3.09Å; L218-E220 PolarHBondContact O-N 3.11Å; L218-L221 HydrophobicContact CD1-CD1 4.02Å; L218-L221 PolarHBondContact O-N 3.04Å; L218-Y224 HydrophobicContact CD2-CE2 4.19Å; L218-Y224 HydrophobicContact CG-CD2 4.02Å; L218-Y224 HydrophobicContact CG-CE2 3.96Å; L218-Y224 WeakPolarHBondContact O-CD2 3.38Å
219	R	93.7	Very high	95.3	Very high	165 Å²	165	83.3 Å²	83.3	62%	0.623	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-71.3	-18.7	-179.6	-53.8	-177.1	-178.9	-172.4	-0.1	113.3	K216 K217 Y224	K216-R219 WeakPolarHBondContact O-CB 3.39Å; K216-R219 WeakPolarHBondContact O-CG 3.37Å; K216-R219 PolarHBondContact O-N 3Å; K216-R219 VanDerWaalsContact O-N 3.11Å; K217-R219 PolarHBondContact O-N 2.92Å; R219-Y224 HydrophobicContact CB-CD1 4.26Å; R219-Y224 HydrophobicContact CB-CE1 4.08Å; R219-Y224 HydrophobicContact CG-CE1 3.9Å; R219-Y224 HydrophobicContact CG-CE2 4.21Å
220	E	94.6	Very high	95.2	Very high	156 Å²	156	81.1 Å²	81.1	73%	0.729	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-89.3	-9	-179.4	-60.3	168.7	-171.1	0	0	111.4	K217 L218	K217-E220 WeakPolarHBondContact O-CB 3.29Å; K217-E220 PolarHBondContact O-N 2.99Å; K217-E220 VanDerWaalsContact O-N 3.13Å; L218-E220 PolarHBondContact O-N 3.11Å
221	L	95.1	Very high	95	Very high	31 Å²	31	81.6 Å²	81.6	16%	0.162	38%	0.378	C	S	.	.	S	Bend	trans	-75.2	143.1	179	-65.8	-169.3	0	0	0	112.1	L190 L193 L198 L218 G223 Y224	L190-L221 HydrophobicContact CD1-CD1 3.78Å; L190-L221 HydrophobicContact CD1-CG 4.31Å; L190-L221 HydrophobicContact CD2-CD2 4.3Å; L190-L221 HydrophobicContact CG-CD1 4.29Å; L190-L221 HydrophobicContact CG-CD2 4.37Å; L193-L221 HydrophobicContact CD2-CD1 4.4Å; L198-L221 HydrophobicContact CD1-CB 3.74Å; L198-L221 HydrophobicContact CD1-CD1 4.02Å; L218-L221 HydrophobicContact CD1-CD1 4.02Å; L218-L221 PolarHBondContact O-N 3.04Å; L221-G223 PolarHBondContact O-N 3.35Å; L221-Y224 VanDerWaalsContact O-CB 3.29Å; L221-Y224 WeakPolarHBondContact O-CB 3.2Å; L221-Y224 PolarHBondContact O-N 3.11Å
222	E	95.1	Very high	94.7	Very high	152 Å²	152	83.7 Å²	83.7	71%	0.71	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	137.7	172.1	-167.9	178.1	168.1	0	0	110.9	Y224	E222-Y224 VanDerWaalsContact C-N 3.31Å; E222-Y224 PolarHBondContact O-N 3.32Å
223	G	95.1	Very high	94.3	Very high	15 Å²	15	80.8 Å²	80.8	16%	0.155	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-4.3	-178.1	0	0	0	0	0	115.1	L198 L221 D225 K226 Y227	L198-G223 CarbonylContact C-O 3.13Å; L221-G223 PolarHBondContact O-N 3.35Å; G223-D225 VanDerWaalsContact C-N 3.27Å; G223-D225 PolarHBondContact O-N 3.19Å; G223-K226 WeakPolarHBondContact O-CB 3.32Å; G223-K226 PolarHBondContact O-N 3.14Å; G223-K226 VanDerWaalsContact O-N 3.14Å; G223-Y227 PolarHBondContact O-N 3.03Å; G223-Y227 VanDerWaalsContact O-N 3.08Å
224	Y	96.1	Very high	93.7	Very high	36 Å²	36	81.4 Å²	81.4	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-56.9	-39.3	177	-176.3	-95.8	0	0	0	112.7	L218 R219 L221 E222 K226 Y227 M228	L218-Y224 HydrophobicContact CD2-CE2 4.19Å; L218-Y224 HydrophobicContact CG-CD2 4.02Å; L218-Y224 HydrophobicContact CG-CE2 3.96Å; L218-Y224 WeakPolarHBondContact O-CD2 3.38Å; R219-Y224 HydrophobicContact CB-CD1 4.26Å; R219-Y224 HydrophobicContact CB-CE1 4.08Å; R219-Y224 HydrophobicContact CG-CE1 3.9Å; R219-Y224 HydrophobicContact CG-CE2 4.21Å; L221-Y224 VanDerWaalsContact O-CB 3.29Å; L221-Y224 WeakPolarHBondContact O-CB 3.2Å; L221-Y224 PolarHBondContact O-N 3.11Å; E222-Y224 VanDerWaalsContact C-N 3.31Å; E222-Y224 PolarHBondContact O-N 3.32Å; Y224-K226 PolarHBondContact O-N 3.1Å; Y224-Y227 HydrophobicContact CD2-CD1 4.31Å; Y224-Y227 HydrophobicContact CE2-CD1 4.19Å; Y224-Y227 HydrophobicContact CE2-CE1 4.48Å; Y224-Y227 WeakPolarHBondContact O-CB 3.2Å; Y224-Y227 PolarHBondContact O-N 2.77Å; Y224-M228 HydrophobicContact CD1-CG 3.79Å; Y224-M228 HydrophobicContact CE1-CG 3.28Å; Y224-M228 HydrophobicContact CE1-SD 3.96Å; Y224-M228 HydrophobicContact CE2-CG 4.44Å; Y224-M228 WeakPolarHBondContact O-CG 3.35Å; Y224-M228 PolarHBondContact O-N 3.11Å; Y224-M228 PolarHBondContact OH-SD 3.11Å; Y224-M228 VanDerWaalsContact OH-SD 3.41Å
225	D	95.9	Very high	92.9	Very high	123 Å²	123	82.6 Å²	82.6	66%	0.658	39%	0.394	S	S	*	.	H	α-helix	trans	-61.5	-43.7	176.9	-65.1	-35.1	0	0	0	112	G223 Y227 M228 E229	G223-D225 VanDerWaalsContact C-N 3.27Å; G223-D225 PolarHBondContact O-N 3.19Å; D225-Y227 VanDerWaalsContact C-N 3.3Å; D225-Y227 PolarHBondContact O-N 3.02Å; D225-M228 PolarHBondContact O-N 2.96Å; D225-M228 VanDerWaalsContact O-N 3.11Å; D225-E229 WeakPolarHBondContact O-CG 3.47Å; D225-E229 PolarHBondContact O-N 3.37Å
226	K	96.3	Very high	91.7	Very high	111 Å²	111	87.2 Å²	87.2	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-41.2	174.6	-67.1	-179.4	175.6	177.3	0	111.3	G223 Y224 R230	G223-K226 WeakPolarHBondContact O-CB 3.32Å; G223-K226 PolarHBondContact O-N 3.14Å; G223-K226 VanDerWaalsContact O-N 3.14Å; Y224-K226 PolarHBondContact O-N 3.1Å; K226-R230 WeakPolarHBondContact O-CG 3.23Å; K226-R230 PolarHBondContact O-N 2.78Å; K226-R230 PolarHBondContact O-NH1 3.47Å
227	Y	96.6	Very high	90.3	Very high	13 Å²	13	88.9 Å²	88.9	5%	0.051	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-45	173.6	164.9	-106.2	0	0	0	111.9	L198 L206 G223 Y224 D225 E229 R230 F231	L198-Y227 HydrophobicContact CD2-CD1 4.36Å; L198-Y227 HydrophobicContact CD2-CG 4.09Å; L206-Y227 HydrophobicContact CB-CE2 3.82Å; L206-Y227 PolarHBondContact N-OH 2.91Å; L206-Y227 PolarHBondContact O-OH 3.12Å; G223-Y227 PolarHBondContact O-N 3.03Å; G223-Y227 VanDerWaalsContact O-N 3.08Å; Y224-Y227 HydrophobicContact CD2-CD1 4.31Å; Y224-Y227 HydrophobicContact CE2-CD1 4.19Å; Y224-Y227 HydrophobicContact CE2-CE1 4.48Å; Y224-Y227 WeakPolarHBondContact O-CB 3.2Å; Y224-Y227 PolarHBondContact O-N 2.77Å; D225-Y227 VanDerWaalsContact C-N 3.3Å; D225-Y227 PolarHBondContact O-N 3.02Å; Y227-E229 VanDerWaalsContact C-N 3.33Å; Y227-E229 PolarHBondContact O-N 3.49Å; Y227-R230 WeakPolarHBondContact O-CB 3.31Å; Y227-R230 PolarHBondContact O-N 2.85Å; Y227-R230 VanDerWaalsContact O-N 3.09Å; Y227-F231 PolarHBondContact O-N 3.01Å
228	M	95.6	Very high	88.1	Confident	55 Å²	55	92.8 Å²	92.8	27%	0.271	44%	0.436	S	S	.	.	H	α-helix	trans	-63.5	-36.2	179.4	-77.1	-57.4	-55.1	0	0	113	Y224 D225 F231 T232	Y224-M228 HydrophobicContact CD1-CG 3.79Å; Y224-M228 HydrophobicContact CE1-CG 3.28Å; Y224-M228 HydrophobicContact CE1-SD 3.96Å; Y224-M228 HydrophobicContact CE2-CG 4.44Å; Y224-M228 WeakPolarHBondContact O-CG 3.35Å; Y224-M228 PolarHBondContact O-N 3.11Å; Y224-M228 PolarHBondContact OH-SD 3.11Å; Y224-M228 VanDerWaalsContact OH-SD 3.41Å; D225-M228 PolarHBondContact O-N 2.96Å; D225-M228 VanDerWaalsContact O-N 3.11Å; M228-F231 HydrophobicContact CE-CD1 4.08Å; M228-F231 PolarHBondContact O-N 3.03Å; M228-T232 HydrophobicContact CE-CG2 4.22Å; M228-T232 WeakPolarHBondContact O-CB 3.45Å; M228-T232 VanDerWaalsContact O-CG2 3.31Å; M228-T232 WeakPolarHBondContact O-CG2 3.34Å; M228-T232 PolarHBondContact O-N 3.29Å; M228-T232 PolarHBondContact O-OG1 2.91Å
229	E	95.1	Very high	85.9	Confident	137 Å²	137	99 Å²	99	64%	0.64	49%	0.488	S	S	*	.	H	α-helix	trans	-58.7	-47	170.2	-71.8	177.6	179.8	0	0	111.3	D225 Y227 T232 A233	D225-E229 WeakPolarHBondContact O-CG 3.47Å; D225-E229 PolarHBondContact O-N 3.37Å; Y227-E229 VanDerWaalsContact C-N 3.33Å; Y227-E229 PolarHBondContact O-N 3.49Å; E229-T232 PolarHBondContact O-OG1 3.22Å; E229-T232 VanDerWaalsContact O-OG1 3.13Å; E229-A233 VanDerWaalsContact O-CB 3.25Å; E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 3.12Å
230	R	95.4	Very high	85.5	Confident	51 Å²	51	95.7 Å²	95.7	19%	0.192	48%	0.481	C	S	.	.	H	α-helix	trans	-63	-43.9	176.7	-65.4	-169.5	-56.3	-87.3	7.1	112.4	I197 L198 S201 I203 C204 K226 Y227 T234	I197-R230 PolarHBondContact O-NH2 2.83Å; L198-R230 VanDerWaalsContact O-CZ 3.26Å; L198-R230 PolarHBondContact O-NH1 3.23Å; L198-R230 PolarHBondContact O-NH2 3.15Å; S201-R230 PolarHBondContact O-NE 2.85Å; I203-R230 PolarHBondContact O-NE 3.28Å; I203-R230 PolarHBondContact O-NH2 3.41Å; C204-R230 HydrophobicContact CB-CB 4.05Å; K226-R230 WeakPolarHBondContact O-CG 3.23Å; K226-R230 PolarHBondContact O-N 2.78Å; K226-R230 PolarHBondContact O-NH1 3.47Å; Y227-R230 WeakPolarHBondContact O-CB 3.31Å; Y227-R230 PolarHBondContact O-N 2.85Å; Y227-R230 VanDerWaalsContact O-N 3.09Å; R230-T234 PolarHBondContact O-N 3.03Å; R230-T234 VanDerWaalsContact O-N 3.15Å; R230-T234 PolarHBondContact O-OG1 3.03Å
231	F	93.2	Very high	85	Confident	68 Å²	68	92.5 Å²	92.5	30%	0.298	47%	0.468	S	S	.	.	H	α-helix	trans	-62.4	-49.7	179	175.8	-97.8	0	0	0	111.8	C204 Y227 M228 T234 K235	C204-F231 VanDerWaalsContact O-CA 3.25Å; C204-F231 WeakPolarHBondContact O-CA 3.43Å; C204-F231 WeakPolarHBondContact O-CB 3.25Å; C204-F231 VanDerWaalsContact O-CD2 3.25Å; C204-F231 WeakPolarHBondContact O-CD2 3.24Å; Y227-F231 PolarHBondContact O-N 3.01Å; M228-F231 HydrophobicContact CE-CD1 4.08Å; M228-F231 PolarHBondContact O-N 3.03Å; F231-T234 PolarHBondContact O-N 3.08Å; F231-K235 PolarHBondContact O-N 3.34Å
232	T	91.4	Very high	84.4	Confident	63 Å²	63	95.9 Å²	95.9	39%	0.387	49%	0.485	S	S	.	.	H	α-helix	trans	-67.6	-39.5	-179	54.3	0	0	0	0	112.8	M228 E229 T234 K235 K236	M228-T232 HydrophobicContact CE-CG2 4.22Å; M228-T232 WeakPolarHBondContact O-CB 3.45Å; M228-T232 VanDerWaalsContact O-CG2 3.31Å; M228-T232 WeakPolarHBondContact O-CG2 3.34Å; M228-T232 PolarHBondContact O-N 3.29Å; M228-T232 PolarHBondContact O-OG1 2.91Å; E229-T232 PolarHBondContact O-OG1 3.22Å; E229-T232 VanDerWaalsContact O-OG1 3.13Å; T232-T234 VanDerWaalsContact C-N 3.25Å; T232-T234 PolarHBondContact O-N 3.03Å; T232-K235 PolarHBondContact O-N 3.16Å; T232-K236 WeakPolarHBondContact O-CG 3.41Å; T232-K236 PolarHBondContact O-N 3.13Å; T232-K236 VanDerWaalsContact O-N 3.14Å
233	A	89.2	Confident	83.8	Confident	51 Å²	51	92.6 Å²	92.6	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-36	174.6	0	0	0	0	0	112	E229	E229-A233 VanDerWaalsContact O-CB 3.25Å; E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 3.12Å
234	T	83.4	Confident	83.1	Confident	43 Å²	43	97.4 Å²	97.4	26%	0.264	49%	0.492	S	S	.	.	H	α-helix	trans	-71.9	-46.1	176.9	-55.3	0	0	0	0	111.1	C204 R230 F231 T232 K236 K237 F238	C204-T234 WeakPolarHBondContact CB-OG1 3.42Å; C204-T234 PolarHBondContact SG-OG1 3.26Å; C204-T234 VanDerWaalsContact SG-OG1 3.38Å; R230-T234 PolarHBondContact O-N 3.03Å; R230-T234 VanDerWaalsContact O-N 3.15Å; R230-T234 PolarHBondContact O-OG1 3.03Å; F231-T234 PolarHBondContact O-N 3.08Å; T232-T234 VanDerWaalsContact C-N 3.25Å; T232-T234 PolarHBondContact O-N 3.03Å; T234-K236 VanDerWaalsContact C-N 3.26Å; T234-K236 PolarHBondContact O-N 3.1Å; T234-K237 WeakPolarHBondContact O-CB 3.45Å; T234-K237 PolarHBondContact O-N 3.49Å; T234-F238 HydrophobicContact CG2-CD2 3.96Å; T234-F238 HydrophobicContact CG2-CE2 3.68Å; T234-F238 VanDerWaalsContact O-CD2 3.27Å; T234-F238 WeakPolarHBondContact O-CD2 3.33Å
235	K	77.3	Confident	82.2	Confident	146 Å²	146	101.5 Å²	101.5	64%	0.635	52%	0.515	S	S	*	.	H	α-helix	trans	-57.6	-37.5	178.7	-168.6	176.9	179.5	178.8	0	112.8	F231 T232 K237 F238 A239	F231-K235 PolarHBondContact O-N 3.34Å; T232-K235 PolarHBondContact O-N 3.16Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 3.29Å; K235-F238 PolarHBondContact O-N 2.92Å; K235-A239 PolarHBondContact O-N 2.87Å
236	K	64.8	Low	81.3	Confident	168 Å²	168	100 Å²	100	73%	0.73	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.1	175.7	-72.5	179.3	-179.9	179.5	0	114.4	T232 T234 F238	T232-K236 WeakPolarHBondContact O-CG 3.41Å; T232-K236 PolarHBondContact O-N 3.13Å; T232-K236 VanDerWaalsContact O-N 3.14Å; T234-K236 VanDerWaalsContact C-N 3.26Å; T234-K236 PolarHBondContact O-N 3.1Å; K236-F238 VanDerWaalsContact C-N 3.34Å
237	K	64.8	Low	80.1	Confident	179 Å²	179	99.2 Å²	99.2	78%	0.778	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.8	176.3	-72.4	-178.8	178.1	-178.2	0	113.1	T234 K235	T234-K237 WeakPolarHBondContact O-CB 3.45Å; T234-K237 PolarHBondContact O-N 3.49Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 3.29Å
238	F	48.8	Very low	78.7	Confident	177 Å²	177	106.3 Å²	106.3	78%	0.776	54%	0.544	S	S	*	.			trans	-115.7	7.3	-177	-66.2	-72.5	0	0	0	113.3	T234 K235 K236	T234-F238 HydrophobicContact CG2-CD2 3.96Å; T234-F238 HydrophobicContact CG2-CE2 3.68Å; T234-F238 VanDerWaalsContact O-CD2 3.27Å; T234-F238 WeakPolarHBondContact O-CD2 3.33Å; K235-F238 PolarHBondContact O-N 2.92Å; K236-F238 VanDerWaalsContact C-N 3.34Å
239	A	45.9	Very low	77.2	Confident	138 Å²	138	111 Å²	111	100%	1.141	57%	0.569	S	S	*	*			trans	-111.5	0	173.4	0	0	0	0	0	109.2	K235	K235-A239 PolarHBondContact O-N 2.87Å

Retrieved 239 of 239 residues in 2151.6 ms (Link to these results)

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