A0A077ZGY8_TRITR Loading...

Lactamase B and dCMP cyt deam 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 439 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	79.5	Confident	77.6	Confident	42 Å²	42	49.6 Å²	49.6	21%	0.207	25%	0.248	C	C	.	.				0	-54.4	0	-163.4	51.2	75.6	0	0	114.4	Q3 A4 V5 Y82 V83 H104 L106	M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 2.9Å; M1-A4 WeakPolarHBondContact O-CB 3.31Å; M1-A4 PolarHBondContact O-N 2.88Å; M1-A4 HydrophobicContact SD-CB 4.39Å; M1-V5 PolarHBondContact O-N 3.32Å; M1-V5 VanDerWaalsContact O-N 3.08Å; M1-Y82 HydrophobicContact CB-CD1 4.13Å; M1-Y82 HydrophobicContact CE-CD1 4.32Å; M1-Y82 VanDerWaalsContact N-CD1 3.28Å; M1-V83 VanDerWaalsContact CE-O 3.28Å; M1-V83 WeakPolarHBondContact CE-O 3.09Å; M1-H104 HydrophobicContact CE-CB 4.42Å; M1-L106 HydrophobicContact CE-CB 4Å; M1-L106 HydrophobicContact CG-CB 4.36Å; M1-L106 HydrophobicContact CG-CD1 4.48Å; M1-L106 HydrophobicContact SD-CB 3.78Å
2	A	64	Low	78.3	Confident	36 Å²	36	46.7 Å²	46.7	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-53	-42.8	179.7	0	0	0	0	0	113.6	A4 V5 L6 L171	A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 3.09Å; A2-V5 WeakPolarHBondContact O-CB 3.34Å; A2-V5 PolarHBondContact O-N 3.26Å; A2-L6 WeakPolarHBondContact O-CG 3.29Å; A2-L6 PolarHBondContact O-N 2.85Å; A2-L171 HydrophobicContact CB-CD1 3.78Å; A2-L171 HydrophobicContact CB-CD2 3.46Å; A2-L171 VanDerWaalsContact CB-CD2 3.46Å; A2-L171 HydrophobicContact CB-CG 4.27Å
3	Q	77.1	Confident	79	Confident	81 Å²	81	43.8 Å²	43.8	38%	0.379	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-42	176.7	-170.5	64.3	23	0	0	112.4	M1 V5 L6 L7 T21 I28	M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 2.9Å; Q3-V5 VanDerWaalsContact C-N 3.29Å; Q3-V5 PolarHBondContact O-N 3.34Å; Q3-L6 PolarHBondContact O-N 3.41Å; Q3-L7 HydrophobicContact CG-CD1 4.17Å; Q3-L7 WeakPolarHBondContact O-CB 3.42Å; Q3-L7 VanDerWaalsContact O-CG 3.3Å; Q3-L7 WeakPolarHBondContact O-CG 3.39Å; Q3-L7 PolarHBondContact O-N 3.15Å; Q3-T21 HydrophobicContact CB-CG2 4.07Å; Q3-T21 HydrophobicContact CG-CG2 3.93Å; Q3-T21 WeakPolarHBondContact CG-OG1 3.19Å; Q3-I28 HydrophobicContact CB-CD1 4.25Å; Q3-I28 HydrophobicContact CG-CD1 4.08Å
4	A	78.6	Confident	79.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-39.6	177.5	0	0	0	0	0	111.1	M1 A2 L7 S8 G19 T21 Y82 T84	M1-A4 WeakPolarHBondContact O-CB 3.31Å; M1-A4 PolarHBondContact O-N 2.88Å; M1-A4 HydrophobicContact SD-CB 4.39Å; A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 3.09Å; A4-L7 PolarHBondContact O-N 3.23Å; A4-S8 PolarHBondContact O-N 3.24Å; A4-G19 VanDerWaalsContact O-CA 3.26Å; A4-G19 WeakPolarHBondContact O-CA 3.31Å; A4-T21 WeakPolarHBondContact CA-OG1 3.29Å; A4-T21 PolarHBondContact N-OG1 3.15Å; A4-T21 VanDerWaalsContact N-OG1 3.09Å; A4-Y82 VanDerWaalsContact CB-O 3.24Å; A4-Y82 WeakPolarHBondContact CB-O 3.37Å; A4-T84 HydrophobicContact CB-CG2 4.3Å
5	V	71.2	Confident	79.8	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-44.3	173.1	169.7	0	0	0	0	111.9	M1 A2 Q3 L7 S8 L9 T84 L106 I425	M1-V5 PolarHBondContact O-N 3.32Å; M1-V5 VanDerWaalsContact O-N 3.08Å; A2-V5 WeakPolarHBondContact O-CB 3.34Å; A2-V5 PolarHBondContact O-N 3.26Å; Q3-V5 VanDerWaalsContact C-N 3.29Å; Q3-V5 PolarHBondContact O-N 3.34Å; V5-L7 VanDerWaalsContact C-N 3.29Å; V5-L7 PolarHBondContact O-N 2.96Å; V5-S8 PolarHBondContact O-N 3.38Å; V5-S8 PolarHBondContact O-OG 3.34Å; V5-L9 PolarHBondContact O-N 3.07Å; V5-T84 HydrophobicContact CB-CG2 4.47Å; V5-T84 HydrophobicContact CG2-CG2 3.93Å; V5-L106 HydrophobicContact CG2-CD2 3.94Å; V5-I425 HydrophobicContact CB-CD1 4.19Å; V5-I425 HydrophobicContact CG1-CB 4.02Å; V5-I425 HydrophobicContact CG1-CD1 3.45Å; V5-I425 VanDerWaalsContact CG1-CD1 3.45Å; V5-I425 HydrophobicContact CG1-CG1 3.45Å; V5-I425 VanDerWaalsContact CG1-CG1 3.45Å; V5-I425 HydrophobicContact CG1-CG2 3.62Å; V5-I425 HydrophobicContact CG2-CD1 3.62Å
6	L	68.9	Low	80.2	Confident	103 Å²	103	52.5 Å²	52.5	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-37.1	176.7	-72.4	170.8	0	0	0	111.9	A2 Q3 L9	A2-L6 WeakPolarHBondContact O-CG 3.29Å; A2-L6 PolarHBondContact O-N 2.85Å; Q3-L6 PolarHBondContact O-N 3.41Å; L6-L9 HydrophobicContact CD2-CD1 4.34Å; L6-L9 PolarHBondContact O-N 2.95Å
7	L	83.3	Confident	80.6	Confident	17 Å²	17	54.8 Å²	54.8	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-39.7	174	-72	165.4	0	0	0	111.3	Q3 A4 V5 L9 R10 A20 T21 Y33	Q3-L7 HydrophobicContact CG-CD1 4.17Å; Q3-L7 WeakPolarHBondContact O-CB 3.42Å; Q3-L7 VanDerWaalsContact O-CG 3.3Å; Q3-L7 WeakPolarHBondContact O-CG 3.39Å; Q3-L7 PolarHBondContact O-N 3.15Å; A4-L7 PolarHBondContact O-N 3.23Å; V5-L7 VanDerWaalsContact C-N 3.29Å; V5-L7 PolarHBondContact O-N 2.96Å; L7-L9 PolarHBondContact O-N 2.99Å; L7-R10 WeakPolarHBondContact O-CB 3.43Å; L7-R10 PolarHBondContact O-N 2.65Å; L7-A20 WeakPolarHBondContact CD1-O 3.41Å; L7-T21 WeakPolarHBondContact CD1-OG1 3.08Å; L7-Y33 HydrophobicContact CD2-CD1 4.35Å; L7-Y33 WeakPolarHBondContact O-CB 3.33Å
8	S	83.1	Confident	81.2	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-30.8	179.9	80.4	0	0	0	0	112.7	A4 V5 R10 S11 V18 G19	A4-S8 PolarHBondContact O-N 3.24Å; V5-S8 PolarHBondContact O-N 3.38Å; V5-S8 PolarHBondContact O-OG 3.34Å; S8-R10 PolarHBondContact O-N 3.13Å; S8-R10 VanDerWaalsContact O-N 3.11Å; S8-S11 WeakPolarHBondContact O-CB 3.35Å; S8-S11 PolarHBondContact O-N 3.46Å; S8-V18 VanDerWaalsContact CB-C 3.49Å; S8-G19 VanDerWaalsContact CB-N 3.27Å
9	L	77	Confident	81.7	Confident	94 Å²	94	49.7 Å²	49.7	49%	0.492	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.8	175.4	-59	177.7	0	0	0	113.8	V5 L6 L7	V5-L9 PolarHBondContact O-N 3.07Å; L6-L9 HydrophobicContact CD2-CD1 4.34Å; L6-L9 PolarHBondContact O-N 2.95Å; L7-L9 PolarHBondContact O-N 2.99Å
10	R	83.2	Confident	82.4	Confident	150 Å²	150	47.3 Å²	47.3	57%	0.566	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.3	173	-58.7	176.7	60.6	175.6	0.3	112.5	L7 S8 Y33	L7-R10 WeakPolarHBondContact O-CB 3.43Å; L7-R10 PolarHBondContact O-N 2.65Å; S8-R10 PolarHBondContact O-N 3.13Å; S8-R10 VanDerWaalsContact O-N 3.11Å; R10-Y33 HydrophobicContact CB-CD1 3.97Å; R10-Y33 HydrophobicContact CB-CD2 3.84Å; R10-Y33 HydrophobicContact CB-CE1 4.04Å; R10-Y33 HydrophobicContact CB-CE2 3.87Å; R10-Y33 HydrophobicContact CB-CG 3.88Å; R10-Y33 PolarHBondContact NH2-OH 3.45Å; R10-Y33 VanDerWaalsContact O-CD2 3.22Å; R10-Y33 WeakPolarHBondContact O-CD2 3.23Å; R10-Y33 WeakPolarHBondContact O-CE2 3.31Å
11	S	88.2	Confident	82.9	Confident	14 Å²	14	45.1 Å²	45.1	10%	0.098	22%	0.224	C	C	.	.			trans	-57.3	140.2	178.1	-178.8	0	0	0	0	110.5	S8 C13 N34	S8-S11 WeakPolarHBondContact O-CB 3.35Å; S8-S11 PolarHBondContact O-N 3.46Å; S11-C13 PolarHBondContact OG-N 3.43Å; S11-N34 VanDerWaalsContact CA-O 3.28Å; S11-N34 WeakPolarHBondContact CA-O 3.25Å; S11-N34 VanDerWaalsContact CB-OD1 3.24Å; S11-N34 WeakPolarHBondContact CB-OD1 3.39Å; S11-N34 VanDerWaalsContact OG-CG 3.26Å; S11-N34 PolarHBondContact OG-ND2 2.8Å; S11-N34 PolarHBondContact OG-O 3.35Å; S11-N34 PolarHBondContact OG-OD1 3.48Å
12	T	85.9	Confident	83.7	Confident	14 Å²	14	43.1 Å²	43.1	9%	0.086	22%	0.215	C	C	.	.			trans	-106.5	10.2	175.5	71	0	0	0	0	112.1	N34 H42 C43 I44	T12-N34 PolarHBondContact N-O 3Å; T12-H42 HydrophobicContact CG2-CB 4.17Å; T12-H42 PolarHBondContact OG1-ND1 3.46Å; T12-C43 VanDerWaalsContact O-CB 3.23Å; T12-C43 WeakPolarHBondContact O-CB 3.35Å; T12-C43 PolarHBondContact O-N 3.44Å; T12-I44 HydrophobicContact CG2-CD1 4.28Å; T12-I44 PolarHBondContact O-N 3.4Å
13	C	87.4	Confident	85	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.061	21%	0.205	C	C	.	.			trans	-93.6	124.2	176.7	-171.9	0	0	0	0	110.7	S11 R15 N34 T58	S11-C13 PolarHBondContact OG-N 3.43Å; C13-R15 VanDerWaalsContact C-N 3.3Å; C13-R15 PolarHBondContact O-N 2.89Å; C13-N34 VanDerWaalsContact CB-ND2 3.29Å; C13-N34 WeakPolarHBondContact CB-ND2 3.23Å; C13-T58 HydrophobicContact CB-CG2 3.91Å
14	T	82.7	Confident	85.5	Confident	98 Å²	98	42 Å²	42	60%	0.601	20%	0.201	S	C	*	.	S	Bend	trans	-78.4	-13.1	179.7	54.7	0	0	0	0	113.5	I44 C48	T14-I44 HydrophobicContact CG2-CG2 3.93Å; T14-C48 PolarHBondContact OG1-SG 3.36Å
15	R	86.8	Confident	85.8	Confident	133 Å²	133	48.4 Å²	48.4	50%	0.502	24%	0.235	S	C	.	.	S	Bend	trans	-86.4	-35	-179.3	-68.5	173.5	67.3	109.2	-4.5	113.7	C13 G53	C13-R15 VanDerWaalsContact C-N 3.3Å; C13-R15 PolarHBondContact O-N 2.89Å; R15-G53 PolarHBondContact NH2-O 3.33Å
16	L	86.5	Confident	86.2	Confident	40 Å²	40	58 Å²	58	21%	0.209	28%	0.277	C	S	.	.			trans	-163.4	129.6	-178.6	-172.2	68.6	0	0	0	110.3	V18 N34 Y109	L16-V18 HydrophobicContact CD2-CG2 3.5Å; L16-V18 VanDerWaalsContact CD2-CG2 3.5Å; L16-V18 HydrophobicContact CG-CG2 3.7Å; L16-N34 PolarHBondContact O-ND2 2.98Å; L16-Y109 HydrophobicContact CD1-CE2 4.33Å; L16-Y109 HydrophobicContact CD2-CD1 4.08Å; L16-Y109 HydrophobicContact CD2-CD2 4.22Å; L16-Y109 HydrophobicContact CD2-CE1 3.67Å; L16-Y109 HydrophobicContact CD2-CE2 3.82Å; L16-Y109 HydrophobicContact CD2-CG 4.34Å
17	E	87.5	Confident	86.7	Confident	92 Å²	92	62.2 Å²	62.2	43%	0.43	29%	0.285	S	S	.	.			trans	-94.8	114.2	173	-60.2	-178.6	-178.7	0	0	109.7	H85	E17-H85 PolarHBondContact O-CE1 2.96Å; E17-H85 VanDerWaalsContact O-CE1 3.22Å
18	V	90.3	Very high	86.9	Confident	13 Å²	13	66.2 Å²	66.2	8%	0.079	31%	0.305	C	S	.	.			trans	-119.8	134.4	179.3	-168.3	0	0	0	0	109.1	S8 L16 Y33 N34 A61 T84	S8-V18 VanDerWaalsContact CB-C 3.49Å; L16-V18 HydrophobicContact CD2-CG2 3.5Å; L16-V18 VanDerWaalsContact CD2-CG2 3.5Å; L16-V18 HydrophobicContact CG-CG2 3.7Å; V18-Y33 VanDerWaalsContact O-CA 3.26Å; V18-Y33 WeakPolarHBondContact O-CA 3.24Å; V18-N34 HydrophobicContact CB-CB 4.37Å; V18-N34 PolarHBondContact N-OD1 3.2Å; V18-N34 PolarHBondContact O-N 3.43Å; V18-N34 PolarHBondContact O-OD1 3.37Å; V18-N34 VanDerWaalsContact O-OD1 3.04Å; V18-A61 HydrophobicContact CB-CB 4.05Å; V18-A61 HydrophobicContact CG1-CB 3.76Å; V18-A61 WeakPolarHBondContact O-CB 3.18Å; V18-T84 VanDerWaalsContact CA-OG1 3.32Å; V18-T84 WeakPolarHBondContact CA-OG1 3.39Å; V18-T84 WeakPolarHBondContact CG1-OG1 3.35Å
19	G	91.8	Very high	87.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.4	168.7	0	0	0	0	0	111.4	A4 S8 G32 V83 T84	A4-G19 VanDerWaalsContact O-CA 3.26Å; A4-G19 WeakPolarHBondContact O-CA 3.31Å; S8-G19 VanDerWaalsContact CB-N 3.27Å; G19-G32 CarbonylContact C-O 3.51Å; G19-G32 WeakPolarHBondContact CA-O 3.38Å; G19-V83 CarbonylContact O-C 3.57Å; G19-V83 WeakPolarHBondContact O-CA 3.39Å; G19-T84 PolarHBondContact N-OG1 3.11Å; G19-T84 PolarHBondContact O-N 3Å; G19-T84 PolarHBondContact O-OG1 3.25Å
20	A	95.6	Very high	88.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.1	-176.6	0	0	0	0	0	110.1	L7 G31 G32 A61 E62 A65 V81 Y82 V83	L7-A20 WeakPolarHBondContact CD1-O 3.41Å; A20-G31 WeakPolarHBondContact O-CA 3.33Å; A20-G32 PolarHBondContact N-O 2.96Å; A20-G32 PolarHBondContact O-N 2.99Å; A20-A61 HydrophobicContact CB-CB 3.85Å; A20-E62 HydrophobicContact CB-CG 4.36Å; A20-A65 HydrophobicContact CB-CB 4.19Å; A20-V81 HydrophobicContact CB-CG2 4.45Å; A20-Y82 CarbonylContact C-O 3.48Å; A20-Y82 VanDerWaalsContact CA-O 3.27Å; A20-Y82 WeakPolarHBondContact CA-O 3.34Å; A20-V83 HydrophobicContact CB-CG1 3.86Å
21	T	93.2	Very high	88.9	Confident	3 Å²	3	57 Å²	57	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.4	175.1	-57	0	0	0	0	109.1	Q3 A4 L7 V23 I28 A30 V81 Y82	Q3-T21 HydrophobicContact CB-CG2 4.07Å; Q3-T21 HydrophobicContact CG-CG2 3.93Å; Q3-T21 WeakPolarHBondContact CG-OG1 3.19Å; A4-T21 WeakPolarHBondContact CA-OG1 3.29Å; A4-T21 PolarHBondContact N-OG1 3.15Å; A4-T21 VanDerWaalsContact N-OG1 3.09Å; L7-T21 WeakPolarHBondContact CD1-OG1 3.08Å; T21-V23 HydrophobicContact CG2-CG2 4.26Å; T21-I28 HydrophobicContact CG2-CB 4.29Å; T21-I28 HydrophobicContact CG2-CD1 4.27Å; T21-I28 HydrophobicContact CG2-CG1 3.87Å; T21-I28 HydrophobicContact CG2-CG2 3.55Å; T21-A30 WeakPolarHBondContact CA-O 3.31Å; T21-V81 CarbonylContact O-C 3.6Å; T21-V81 WeakPolarHBondContact O-CA 3.34Å; T21-Y82 PolarHBondContact N-O 3.12Å; T21-Y82 PolarHBondContact O-N 3.39Å
22	I	96.4	Very high	89.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.3	176.3	-56.9	173.1	0	0	0	108.5	I29 A30 A65 L66 T76 A79 E80 V81 I100	I22-I29 HydrophobicContact CB-CD1 4.46Å; I22-I29 HydrophobicContact CB-CG1 3.98Å; I22-I29 HydrophobicContact CG2-CD1 3.65Å; I22-I29 HydrophobicContact CG2-CG1 3.65Å; I22-I29 WeakPolarHBondContact O-CG1 3.2Å; I22-I29 PolarHBondContact O-N 3.07Å; I22-A30 HydrophobicContact CB-CB 4.4Å; I22-A30 HydrophobicContact CD1-CB 4.44Å; I22-A30 PolarHBondContact N-O 2.88Å; I22-A30 PolarHBondContact O-N 3.13Å; I22-A65 HydrophobicContact CD1-CB 3.76Å; I22-A65 HydrophobicContact CG1-CB 3.96Å; I22-L66 HydrophobicContact CD1-CD2 3.78Å; I22-L66 HydrophobicContact CD1-CG 4.27Å; I22-T76 HydrophobicContact CD1-CG2 4.4Å; I22-A79 HydrophobicContact CG2-CB 3.72Å; I22-E80 CarbonylContact C-O 3.35Å; I22-E80 WeakPolarHBondContact CA-O 3.28Å; I22-V81 HydrophobicContact CG1-CB 4.32Å; I22-V81 HydrophobicContact CG1-CG2 3.84Å; I22-I100 HydrophobicContact CG2-CD1 3.9Å
23	V	89.7	Confident	89.7	Confident	16 Å²	16	59 Å²	59	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.4	-177.9	179.4	0	0	0	0	108.9	T21 R27 I28 A79 E80 Y82	T21-V23 HydrophobicContact CG2-CG2 4.26Å; V23-R27 CarbonylContact C-O 3.11Å; V23-R27 VanDerWaalsContact CA-O 3.23Å; V23-R27 WeakPolarHBondContact CA-O 3.29Å; V23-R27 WeakPolarHBondContact CG1-O 3.23Å; V23-I28 HydrophobicContact CG2-CG1 4.11Å; V23-A79 WeakPolarHBondContact O-CA 3.1Å; V23-A79 WeakPolarHBondContact O-CB 3.38Å; V23-E80 HydrophobicContact CB-CG 4Å; V23-E80 PolarHBondContact N-O 3.23Å; V23-E80 WeakPolarHBondContact O-CG 3.39Å; V23-E80 PolarHBondContact O-N 3.49Å; V23-Y82 HydrophobicContact CB-CE2 4.11Å; V23-Y82 HydrophobicContact CG2-CD2 3.84Å; V23-Y82 HydrophobicContact CG2-CE2 3.76Å
24	R	88.5	Confident	90.1	Very high	77 Å²	77	58.9 Å²	58.9	29%	0.291	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138	172.5	-168.5	173.9	64.5	155.3	-0.2	108.7	K26 R27 I29 A75 D77 A79	R24-K26 PolarHBondContact O-N 2.91Å; R24-K26 VanDerWaalsContact O-N 3.17Å; R24-R27 PolarHBondContact N-O 3.32Å; R24-R27 PolarHBondContact O-N 3.46Å; R24-R27 VanDerWaalsContact O-O 3.07Å; R24-I29 HydrophobicContact CB-CD1 3.91Å; R24-I29 HydrophobicContact CB-CG1 4.44Å; R24-I29 HydrophobicContact CB-CG2 4.08Å; R24-A75 VanDerWaalsContact CZ-O 3.24Å; R24-A75 PolarHBondContact NE-O 2.84Å; R24-A75 VanDerWaalsContact NH1-CB 3.35Å; R24-A75 PolarHBondContact NH1-O 3.13Å; R24-D77 WeakPolarHBondContact CD-O 3.36Å; R24-A79 HydrophobicContact CB-CB 3.85Å; R24-A79 HydrophobicContact CG-CB 4.17Å
25	D	85.2	Confident	90.5	Very high	135 Å²	135	54.4 Å²	54.4	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	41.2	-177.1	-53	-41.4	0	0	0	113.2	R27	D25-R27 PolarHBondContact O-N 2.98Å; D25-R27 VanDerWaalsContact O-N 3.12Å
26	K	79.5	Confident	90.8	Very high	207 Å²	207	48.7 Å²	48.7	90%	0.9	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	15.7	-176.2	-52.6	176.6	-179.3	174.8	0	114.6	R24	R24-K26 PolarHBondContact O-N 2.91Å; R24-K26 VanDerWaalsContact O-N 3.17Å
27	R	79.3	Confident	91.1	Very high	190 Å²	190	50.2 Å²	50.2	72%	0.717	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.1	175.9	-67	178.6	176.4	154.4	-1.1	110.4	V23 R24 D25 I29	V23-R27 CarbonylContact C-O 3.11Å; V23-R27 VanDerWaalsContact CA-O 3.23Å; V23-R27 WeakPolarHBondContact CA-O 3.29Å; V23-R27 WeakPolarHBondContact CG1-O 3.23Å; R24-R27 PolarHBondContact N-O 3.32Å; R24-R27 PolarHBondContact O-N 3.46Å; R24-R27 VanDerWaalsContact O-O 3.07Å; D25-R27 PolarHBondContact O-N 2.98Å; D25-R27 VanDerWaalsContact O-N 3.12Å; R27-I29 PolarHBondContact O-N 2.99Å
28	I	88.1	Confident	91.2	Very high	101 Å²	101	52 Å²	52	52%	0.518	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.4	172.1	-64.3	164	0	0	0	107.6	Q3 T21 V23	Q3-I28 HydrophobicContact CB-CD1 4.25Å; Q3-I28 HydrophobicContact CG-CD1 4.08Å; T21-I28 HydrophobicContact CG2-CB 4.29Å; T21-I28 HydrophobicContact CG2-CD1 4.27Å; T21-I28 HydrophobicContact CG2-CG1 3.87Å; T21-I28 HydrophobicContact CG2-CG2 3.55Å; V23-I28 HydrophobicContact CG2-CG1 4.11Å
29	I	94.1	Very high	91.1	Very high	33 Å²	33	55.7 Å²	55.7	17%	0.169	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-25.3	-178.6	61.1	164.2	0	0	0	112.9	I22 R24 R27 I74 A79	I22-I29 HydrophobicContact CB-CD1 4.46Å; I22-I29 HydrophobicContact CB-CG1 3.98Å; I22-I29 HydrophobicContact CG2-CD1 3.65Å; I22-I29 HydrophobicContact CG2-CG1 3.65Å; I22-I29 WeakPolarHBondContact O-CG1 3.2Å; I22-I29 PolarHBondContact O-N 3.07Å; R24-I29 HydrophobicContact CB-CD1 3.91Å; R24-I29 HydrophobicContact CB-CG1 4.44Å; R24-I29 HydrophobicContact CB-CG2 4.08Å; R27-I29 PolarHBondContact O-N 2.99Å; I29-I74 HydrophobicContact CB-CG2 3.95Å; I29-I74 HydrophobicContact CD1-CG2 4.03Å; I29-I74 HydrophobicContact CG1-CG2 4.48Å; I29-A79 HydrophobicContact CD1-CB 4.24Å
30	A	96.6	Very high	91.2	Very high	3 Å²	3	59 Å²	59	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160.1	174.1	0	0	0	0	0	112.1	T21 I22 A65 Q68 C69	T21-A30 WeakPolarHBondContact CA-O 3.31Å; I22-A30 HydrophobicContact CB-CB 4.4Å; I22-A30 HydrophobicContact CD1-CB 4.44Å; I22-A30 PolarHBondContact N-O 2.88Å; I22-A30 PolarHBondContact O-N 3.13Å; A30-A65 WeakPolarHBondContact CB-O 3.22Å; A30-Q68 HydrophobicContact CB-CB 4.34Å; A30-Q68 HydrophobicContact CB-CG 4.3Å; A30-Q68 VanDerWaalsContact CB-OE1 3.3Å; A30-C69 WeakPolarHBondContact CB-SG 3.41Å
31	G	94.4	Very high	91	Very high	20 Å²	20	62 Å²	62	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.5	173.8	0	0	0	0	0	110.9	A20 Q68	A20-G31 WeakPolarHBondContact O-CA 3.33Å; G31-Q68 PolarHBondContact O-OE1 3.3Å
32	G	96	Very high	90.9	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.3	174.7	0	0	0	0	0	111	G19 A20 A61	G19-G32 CarbonylContact C-O 3.51Å; G19-G32 WeakPolarHBondContact CA-O 3.38Å; A20-G32 PolarHBondContact N-O 2.96Å; A20-G32 PolarHBondContact O-N 2.99Å; G32-A61 WeakPolarHBondContact CA-O 3.46Å
33	Y	94.5	Very high	90.3	Very high	67 Å²	67	64.9 Å²	64.9	26%	0.263	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.5	169.1	55.7	-86.8	0	0	0	108	L7 R10 V18 N64	L7-Y33 HydrophobicContact CD2-CD1 4.35Å; L7-Y33 WeakPolarHBondContact O-CB 3.33Å; R10-Y33 HydrophobicContact CB-CD1 3.97Å; R10-Y33 HydrophobicContact CB-CD2 3.84Å; R10-Y33 HydrophobicContact CB-CE1 4.04Å; R10-Y33 HydrophobicContact CB-CE2 3.87Å; R10-Y33 HydrophobicContact CB-CG 3.88Å; R10-Y33 PolarHBondContact NH2-OH 3.45Å; R10-Y33 VanDerWaalsContact O-CD2 3.22Å; R10-Y33 WeakPolarHBondContact O-CD2 3.23Å; R10-Y33 WeakPolarHBondContact O-CE2 3.31Å; V18-Y33 VanDerWaalsContact O-CA 3.26Å; V18-Y33 WeakPolarHBondContact O-CA 3.24Å; Y33-N64 PolarHBondContact O-ND2 3.44Å
34	N	94.7	Very high	90	Very high	7 Å²	7	69 Å²	69	4%	0.037	37%	0.374	C	S	.	.			trans	-76.8	131.6	-179.3	67.9	-45.7	0	0	0	111.1	S11 T12 C13 L16 V18 I59	S11-N34 VanDerWaalsContact CA-O 3.28Å; S11-N34 WeakPolarHBondContact CA-O 3.25Å; S11-N34 VanDerWaalsContact CB-OD1 3.24Å; S11-N34 WeakPolarHBondContact CB-OD1 3.39Å; S11-N34 VanDerWaalsContact OG-CG 3.26Å; S11-N34 PolarHBondContact OG-ND2 2.8Å; S11-N34 PolarHBondContact OG-O 3.35Å; S11-N34 PolarHBondContact OG-OD1 3.48Å; T12-N34 PolarHBondContact N-O 3Å; C13-N34 VanDerWaalsContact CB-ND2 3.29Å; C13-N34 WeakPolarHBondContact CB-ND2 3.23Å; L16-N34 PolarHBondContact O-ND2 2.98Å; V18-N34 HydrophobicContact CB-CB 4.37Å; V18-N34 PolarHBondContact N-OD1 3.2Å; V18-N34 PolarHBondContact O-N 3.43Å; V18-N34 PolarHBondContact O-OD1 3.37Å; V18-N34 VanDerWaalsContact O-OD1 3.04Å; N34-I59 CarbonylContact C-O 3.57Å; N34-I59 WeakPolarHBondContact CA-O 3.49Å; N34-I59 WeakPolarHBondContact CB-O 3.48Å
35	G	92.9	Very high	89.9	Confident	3 Å²	3	70.3 Å²	70.3	3%	0.031	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	169.1	-174.4	0	0	0	0	0	111	T58 I59	G35-T58 CarbonylContact O-C 3.59Å; G35-T58 WeakPolarHBondContact O-CA 3.17Å; G35-I59 PolarHBondContact N-O 3.34Å; G35-I59 VanDerWaalsContact N-O 3.07Å; G35-I59 PolarHBondContact O-N 3.43Å
36	S	92.5	Very high	90.2	Very high	14 Å²	14	70.3 Å²	70.3	10%	0.098	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	161.6	178.2	-42.4	0	0	0	0	112.1	V41 H42 R57	S36-V41 VanDerWaalsContact CB-O 3.29Å; S36-V41 WeakPolarHBondContact CB-O 3.2Å; S36-V41 PolarHBondContact OG-O 3.26Å; S36-H42 WeakPolarHBondContact CB-ND1 3.32Å; S36-H42 WeakPolarHBondContact OG-CA 3.23Å; S36-H42 PolarHBondContact OG-ND1 3.37Å; S36-H42 VanDerWaalsContact OG-ND1 3.13Å; S36-R57 WeakPolarHBondContact CA-O 3.47Å
37	V	93.2	Very high	90.7	Very high	71 Å²	71	61.9 Å²	61.9	43%	0.43	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-58	149	168.6	-70.1	0	0	0	0	110.8	G39 D40 I59	V37-G39 PolarHBondContact O-N 3.39Å; V37-D40 HydrophobicContact CG2-CB 3.58Å; V37-D40 PolarHBondContact O-N 3.2Å; V37-D40 VanDerWaalsContact O-N 3.15Å; V37-I59 HydrophobicContact CG1-CD1 3.41Å; V37-I59 VanDerWaalsContact CG1-CD1 3.41Å; V37-I59 HydrophobicContact CG1-CG1 4.04Å
38	S	87.9	Confident	91.2	Very high	129 Å²	129	54.4 Å²	54.4	90%	0.902	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	125.3	176.5	-62.4	0	0	0	0	111
39	G	89.4	Confident	91.5	Very high	92 Å²	92	56.1 Å²	56.1	95%	0.948	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-7.9	178.4	0	0	0	0	0	115.3	V37	V37-G39 PolarHBondContact O-N 3.39Å
40	D	92.9	Very high	91.4	Very high	70 Å²	70	57.6 Å²	57.6	37%	0.374	34%	0.342	S	S	.	.	S	Bend	trans	-95	161.7	172.8	-170.8	23.8	0	0	0	111.4	V37 R57	V37-D40 HydrophobicContact CG2-CB 3.58Å; V37-D40 PolarHBondContact O-N 3.2Å; V37-D40 VanDerWaalsContact O-N 3.15Å; D40-R57 IonicContact OD2-NH1 3.85Å
41	V	92.3	Very high	91.1	Very high	61 Å²	61	60 Å²	60	37%	0.37	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-66.8	153.2	176.5	-62.4	0	0	0	0	111.6	S36 E46 R57	S36-V41 VanDerWaalsContact CB-O 3.29Å; S36-V41 WeakPolarHBondContact CB-O 3.2Å; S36-V41 PolarHBondContact OG-O 3.26Å; V41-E46 HydrophobicContact CB-CB 4.44Å; V41-E46 HydrophobicContact CB-CG 3.92Å; V41-E46 HydrophobicContact CG1-CG 4.2Å; V41-E46 HydrophobicContact CG2-CB 4.08Å; V41-E46 HydrophobicContact CG2-CG 3.92Å; V41-R57 VanDerWaalsContact CG2-NH1 3.29Å; V41-R57 WeakPolarHBondContact O-CD 3.41Å
42	H	90.4	Very high	90.8	Very high	61 Å²	61	66.1 Å²	66.1	28%	0.282	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-99.7	160.9	179.5	-62.8	-47.7	0	0	0	113.8	T12 S36 I44 D45 E46	T12-H42 HydrophobicContact CG2-CB 4.17Å; T12-H42 PolarHBondContact OG1-ND1 3.46Å; S36-H42 WeakPolarHBondContact CB-ND1 3.32Å; S36-H42 WeakPolarHBondContact OG-CA 3.23Å; S36-H42 PolarHBondContact OG-ND1 3.37Å; S36-H42 VanDerWaalsContact OG-ND1 3.13Å; H42-I44 HydrophobicContact CB-CG1 3.78Å; H42-I44 PolarHBondContact O-N 3.41Å; H42-D45 WeakPolarHBondContact CB-OD2 3.49Å; H42-D45 IonicContact CD2-OD2 3.32Å; H42-D45 IonicContact CG-OD2 3.29Å; H42-D45 PolarHBondContact N-OD2 3.35Å; H42-D45 PolarHBondContact O-N 2.84Å; H42-E46 PolarHBondContact O-N 3.22Å
43	C	85.1	Confident	90.2	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.02	40%	0.401	C	S	.	.	H	α-helix	trans	-68.7	-23.5	178.3	-52.1	0	0	0	0	112.7	T12 G47	T12-C43 VanDerWaalsContact O-CB 3.23Å; T12-C43 WeakPolarHBondContact O-CB 3.35Å; T12-C43 PolarHBondContact O-N 3.44Å; C43-G47 WeakPolarHBondContact CA-O 3.47Å; C43-G47 CarbonylContact O-C 3.54Å; C43-G47 WeakPolarHBondContact O-CA 3.28Å; C43-G47 PolarHBondContact O-N 3.07Å
44	I	82	Confident	89.8	Confident	103 Å²	103	69.9 Å²	69.9	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-68.8	-23.2	171.9	54.5	173.4	0	0	0	112.6	T12 T14 H42	T12-I44 HydrophobicContact CG2-CD1 4.28Å; T12-I44 PolarHBondContact O-N 3.4Å; T14-I44 HydrophobicContact CG2-CG2 3.93Å; H42-I44 HydrophobicContact CB-CG1 3.78Å; H42-I44 PolarHBondContact O-N 3.41Å
45	D	87.8	Confident	89.6	Confident	105 Å²	105	70.4 Å²	70.4	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-95.4	-48	-178.7	-50.6	-46.1	0	0	0	111	H42	H42-D45 WeakPolarHBondContact CB-OD2 3.49Å; H42-D45 IonicContact CD2-OD2 3.32Å; H42-D45 IonicContact CG-OD2 3.29Å; H42-D45 PolarHBondContact N-OD2 3.35Å; H42-D45 PolarHBondContact O-N 2.84Å
46	E	91.3	Very high	89.5	Confident	134 Å²	134	75.4 Å²	75.4	63%	0.626	44%	0.443	S	S	*	.	H	α-helix	trans	-119.9	8.8	-169.7	-70.4	-70	164.7	0	0	113.5	V41 H42	V41-E46 HydrophobicContact CB-CB 4.44Å; V41-E46 HydrophobicContact CB-CG 3.92Å; V41-E46 HydrophobicContact CG1-CG 4.2Å; V41-E46 HydrophobicContact CG2-CB 4.08Å; V41-E46 HydrophobicContact CG2-CG 3.92Å; H42-E46 PolarHBondContact O-N 3.22Å
47	G	89.3	Confident	89.6	Confident	30 Å²	30	77.2 Å²	77.2	31%	0.309	45%	0.447	S	S	.	.			trans	75	166.8	-174.7	0	0	0	0	0	114.4	C43 R57	C43-G47 WeakPolarHBondContact CA-O 3.47Å; C43-G47 CarbonylContact O-C 3.54Å; C43-G47 WeakPolarHBondContact O-CA 3.28Å; C43-G47 PolarHBondContact O-N 3.07Å; G47-R57 PolarHBondContact O-NE 2.88Å
48	C	90.6	Very high	89.6	Confident	33 Å²	33	74.5 Å²	74.5	22%	0.223	43%	0.431	C	S	.	.			trans	-71.1	132.2	177.9	-69.3	0	0	0	0	111.3	T14 V50 C55	T14-C48 PolarHBondContact OG1-SG 3.36Å; C48-V50 HydrophobicContact CB-CG2 3.77Å; C48-V50 PolarHBondContact O-N 3.03Å; C48-C55 HydrophobicContact CB-CB 4.32Å
49	Y	93.2	Very high	90	Very high	137 Å²	137	70.6 Å²	70.6	54%	0.537	40%	0.4	S	S	.	.			trans	-82.8	96.6	168.6	-173.5	-121.9	0	0	0	109.5	V51 C55 L56	Y49-V51 HydrophobicContact CE1-CG2 4.18Å; Y49-C55 CarbonylContact O-C 3.57Å; Y49-C55 WeakPolarHBondContact O-CA 3.19Å; Y49-L56 HydrophobicContact CD1-CB 4.03Å; Y49-L56 PolarHBondContact O-N 3.19Å
50	V	91.8	Very high	90.3	Very high	64 Å²	64	69.7 Å²	69.7	39%	0.388	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.3	-170.9	-177.3	0	0	0	0	111.3	C48 H54	C48-V50 HydrophobicContact CB-CG2 3.77Å; C48-V50 PolarHBondContact O-N 3.03Å; V50-H54 CarbonylContact C-O 3.56Å; V50-H54 VanDerWaalsContact CA-O 3.29Å; V50-H54 WeakPolarHBondContact CA-O 3.48Å
51	V	90.1	Very high	90.6	Very high	54 Å²	54	66.4 Å²	66.4	33%	0.327	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.4	170.6	-178.6	0	0	0	0	107.5	Y49 G53 H54 L56	Y49-V51 HydrophobicContact CE1-CG2 4.18Å; V51-G53 PolarHBondContact O-N 3.27Å; V51-G53 VanDerWaalsContact O-N 3.09Å; V51-H54 PolarHBondContact N-O 2.83Å; V51-H54 PolarHBondContact O-N 3.36Å; V51-H54 VanDerWaalsContact O-O 3.11Å; V51-L56 HydrophobicContact CB-CD1 3.67Å; V51-L56 HydrophobicContact CB-CG 4.06Å; V51-L56 HydrophobicContact CG1-CD1 4.34Å; V51-L56 HydrophobicContact CG2-CD1 3.61Å; V51-L56 HydrophobicContact CG2-CG 4.19Å
52	D	88.3	Confident	90.9	Very high	148 Å²	148	63.8 Å²	63.8	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	35.9	-177.5	-56.7	-33.4	0	0	0	114.3	H54	D52-H54 PolarHBondContact O-CD2 3.36Å; D52-H54 PolarHBondContact O-N 2.92Å
53	G	84.6	Confident	91.2	Very high	36 Å²	36	63.7 Å²	63.7	37%	0.371	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	3.5	-178.9	0	0	0	0	0	115	R15 V51	R15-G53 PolarHBondContact NH2-O 3.33Å; V51-G53 PolarHBondContact O-N 3.27Å; V51-G53 VanDerWaalsContact O-N 3.09Å
54	H	85.3	Confident	91.8	Very high	113 Å²	113	65.5 Å²	65.5	52%	0.523	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.4	177.6	-62.7	-76.4	0	0	0	111.6	V50 V51 D52 L56	V50-H54 CarbonylContact C-O 3.56Å; V50-H54 VanDerWaalsContact CA-O 3.29Å; V50-H54 WeakPolarHBondContact CA-O 3.48Å; V51-H54 PolarHBondContact N-O 2.83Å; V51-H54 PolarHBondContact O-N 3.36Å; V51-H54 VanDerWaalsContact O-O 3.11Å; D52-H54 PolarHBondContact O-CD2 3.36Å; D52-H54 PolarHBondContact O-N 2.92Å; H54-L56 PolarHBondContact O-N 2.78Å
55	C	89.7	Confident	92.6	Very high	18 Å²	18	60.6 Å²	60.6	12%	0.122	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.3	173.4	179.3	0	0	0	0	109.5	C48 Y49	C48-C55 HydrophobicContact CB-CB 4.32Å; Y49-C55 CarbonylContact O-C 3.57Å; Y49-C55 WeakPolarHBondContact O-CA 3.19Å
56	L	91.8	Very high	93.1	Very high	108 Å²	108	56.6 Å²	56.6	57%	0.565	30%	0.3	S	S	*	.			trans	-87.5	-14.8	179.4	-59.9	-171.4	0	0	0	113.4	Y49 V51 H54 T58	Y49-L56 HydrophobicContact CD1-CB 4.03Å; Y49-L56 PolarHBondContact O-N 3.19Å; V51-L56 HydrophobicContact CB-CD1 3.67Å; V51-L56 HydrophobicContact CB-CG 4.06Å; V51-L56 HydrophobicContact CG1-CD1 4.34Å; V51-L56 HydrophobicContact CG2-CD1 3.61Å; V51-L56 HydrophobicContact CG2-CG 4.19Å; H54-L56 PolarHBondContact O-N 2.78Å; L56-T58 VanDerWaalsContact C-N 3.25Å; L56-T58 PolarHBondContact O-N 3.15Å
57	R	94.3	Very high	93.4	Very high	51 Å²	51	54.6 Å²	54.6	19%	0.192	29%	0.293	C	S	.	.	S	Bend	trans	-63.8	-32	-179.7	-168.2	179	-63.1	-72	8.4	112.6	S36 D40 V41 G47	S36-R57 WeakPolarHBondContact CA-O 3.47Å; D40-R57 IonicContact OD2-NH1 3.85Å; V41-R57 VanDerWaalsContact CG2-NH1 3.29Å; V41-R57 WeakPolarHBondContact O-CD 3.41Å; G47-R57 PolarHBondContact O-NE 2.88Å
58	T	93.6	Very high	93.7	Very high	14 Å²	14	57 Å²	57	9%	0.086	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.1	-167.4	54.7	0	0	0	0	111.6	C13 G35 L56	C13-T58 HydrophobicContact CB-CG2 3.91Å; G35-T58 CarbonylContact O-C 3.59Å; G35-T58 WeakPolarHBondContact O-CA 3.17Å; L56-T58 VanDerWaalsContact C-N 3.25Å; L56-T58 PolarHBondContact O-N 3.15Å
59	I	95.7	Very high	94.1	Very high	48 Å²	48	55.6 Å²	55.6	25%	0.246	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.5	159.4	-61.7	176.4	0	0	0	108	N34 G35 V37 M63 N64 L67	N34-I59 CarbonylContact C-O 3.57Å; N34-I59 WeakPolarHBondContact CA-O 3.49Å; N34-I59 WeakPolarHBondContact CB-O 3.48Å; G35-I59 PolarHBondContact N-O 3.34Å; G35-I59 VanDerWaalsContact N-O 3.07Å; G35-I59 PolarHBondContact O-N 3.43Å; V37-I59 HydrophobicContact CG1-CD1 3.41Å; V37-I59 VanDerWaalsContact CG1-CD1 3.41Å; V37-I59 HydrophobicContact CG1-CG1 4.04Å; I59-M63 HydrophobicContact CG2-CB 3.68Å; I59-N64 HydrophobicContact CG2-CB 4.44Å; I59-N64 VanDerWaalsContact CG2-OD1 3.23Å; I59-N64 WeakPolarHBondContact CG2-OD1 3.04Å; I59-L67 HydrophobicContact CD1-CD1 4.44Å; I59-L67 HydrophobicContact CG2-CD1 4.29Å
60	H	97.1	Very high	94.3	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.338	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-72.9	157.3	178.4	-68.3	-169.6	0	0	0	112.2	E62 M63 N64 C91	H60-E62 VanDerWaalsContact C-N 3.33Å; H60-E62 PolarHBondContact O-N 2.78Å; H60-M63 PolarHBondContact O-N 3.04Å; H60-N64 PolarHBondContact O-N 2.77Å; H60-C91 PolarHBondContact ND1-SG 2.67Å
61	A	97.6	Very high	94.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-40.5	-174.6	0	0	0	0	0	113	V18 A20 G32 N64 A65	V18-A61 HydrophobicContact CB-CB 4.05Å; V18-A61 HydrophobicContact CG1-CB 3.76Å; V18-A61 WeakPolarHBondContact O-CB 3.18Å; A20-A61 HydrophobicContact CB-CB 3.85Å; G32-A61 WeakPolarHBondContact CA-O 3.46Å; A61-N64 PolarHBondContact O-N 3.32Å; A61-A65 WeakPolarHBondContact O-CB 3.24Å; A61-A65 PolarHBondContact O-N 3.3Å
62	E	98.4	Very high	94.7	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-45.6	178.8	-56.7	94.2	135.5	0	0	110.7	A20 H60 A65 L66 V83 P87 C91 L95	A20-E62 HydrophobicContact CB-CG 4.36Å; H60-E62 VanDerWaalsContact C-N 3.33Å; H60-E62 PolarHBondContact O-N 2.78Å; E62-A65 PolarHBondContact O-N 2.87Å; E62-L66 WeakPolarHBondContact O-CG 3.37Å; E62-L66 PolarHBondContact O-N 2.99Å; E62-V83 HydrophobicContact CG-CG1 3.65Å; E62-P87 HydrophobicContact CG-CB 4.33Å; E62-P87 HydrophobicContact CG-CG 4.43Å; E62-P87 VanDerWaalsContact OE1-CA 3.31Å; E62-P87 WeakPolarHBondContact OE1-CA 3.36Å; E62-P87 WeakPolarHBondContact OE1-CB 3.41Å; E62-C91 HydrophobicContact CB-CB 3.94Å; E62-C91 HydrophobicContact CG-CB 4.2Å; E62-L95 HydrophobicContact CB-CD1 4.26Å; E62-L95 HydrophobicContact CB-CD2 4.45Å; E62-L95 HydrophobicContact CB-CG 4.47Å; E62-L95 HydrophobicContact CG-CD1 4.22Å
63	M	98	Very high	95.1	Very high	58 Å²	58	57.6 Å²	57.6	29%	0.286	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-46.3	175.4	-69	-61	-160.4	0	0	111	I59 H60 A65 L66 L67 A94	I59-M63 HydrophobicContact CG2-CB 3.68Å; H60-M63 PolarHBondContact O-N 3.04Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 2.92Å; M63-L66 PolarHBondContact O-N 3.36Å; M63-L67 VanDerWaalsContact O-CB 3.31Å; M63-L67 WeakPolarHBondContact O-CB 3.41Å; M63-L67 WeakPolarHBondContact O-CG 3.43Å; M63-L67 PolarHBondContact O-N 3.25Å; M63-A94 HydrophobicContact CE-CB 3.67Å; M63-A94 HydrophobicContact SD-CB 3.71Å
64	N	97.3	Very high	95.7	Very high	41 Å²	41	58.3 Å²	58.3	22%	0.219	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-37.3	176.7	-86.2	-26.5	0	0	0	112.5	Y33 I59 H60 A61 Q68	Y33-N64 PolarHBondContact O-ND2 3.44Å; I59-N64 HydrophobicContact CG2-CB 4.44Å; I59-N64 VanDerWaalsContact CG2-OD1 3.23Å; I59-N64 WeakPolarHBondContact CG2-OD1 3.04Å; H60-N64 PolarHBondContact O-N 2.77Å; A61-N64 PolarHBondContact O-N 3.32Å; N64-Q68 WeakPolarHBondContact O-CB 3.26Å; N64-Q68 PolarHBondContact O-N 3.32Å
65	A	98.2	Very high	96.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-44.1	175.3	0	0	0	0	0	111.9	A20 I22 A30 A61 E62 M63 Q68 C69	A20-A65 HydrophobicContact CB-CB 4.19Å; I22-A65 HydrophobicContact CD1-CB 3.76Å; I22-A65 HydrophobicContact CG1-CB 3.96Å; A30-A65 WeakPolarHBondContact CB-O 3.22Å; A61-A65 WeakPolarHBondContact O-CB 3.24Å; A61-A65 PolarHBondContact O-N 3.3Å; E62-A65 PolarHBondContact O-N 2.87Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 2.92Å; A65-Q68 PolarHBondContact O-N 3.38Å; A65-C69 PolarHBondContact O-N 3.23Å
66	L	98.4	Very high	96.5	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-42	175.3	-71.2	176.2	0	0	0	112.4	I22 E62 M63 Q68 C69 A70 T76 A94 L95 A98	I22-L66 HydrophobicContact CD1-CD2 3.78Å; I22-L66 HydrophobicContact CD1-CG 4.27Å; E62-L66 WeakPolarHBondContact O-CG 3.37Å; E62-L66 PolarHBondContact O-N 2.99Å; M63-L66 PolarHBondContact O-N 3.36Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 2.78Å; L66-C69 WeakPolarHBondContact O-CB 3.13Å; L66-C69 PolarHBondContact O-N 3.02Å; L66-C69 VanDerWaalsContact O-N 3.15Å; L66-A70 PolarHBondContact O-N 3.43Å; L66-T76 HydrophobicContact CD2-CG2 4.05Å; L66-A94 HydrophobicContact CD1-CB 3.88Å; L66-L95 HydrophobicContact CD1-CD2 4.03Å; L66-L95 HydrophobicContact CD1-CG 4.35Å; L66-L95 HydrophobicContact CD2-CD2 4.28Å; L66-L95 HydrophobicContact CG-CD2 4.15Å; L66-A98 HydrophobicContact CD1-CB 4.31Å; L66-A98 HydrophobicContact CD2-CB 3.57Å
67	L	97.6	Very high	96.7	Very high	93 Å²	93	54.2 Å²	54.2	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-35	177.9	-72.8	169.6	0	0	0	111.6	I59 M63 A70 K71	I59-L67 HydrophobicContact CD1-CD1 4.44Å; I59-L67 HydrophobicContact CG2-CD1 4.29Å; M63-L67 VanDerWaalsContact O-CB 3.31Å; M63-L67 WeakPolarHBondContact O-CB 3.41Å; M63-L67 WeakPolarHBondContact O-CG 3.43Å; M63-L67 PolarHBondContact O-N 3.25Å; L67-A70 PolarHBondContact O-N 3.06Å; L67-K71 WeakPolarHBondContact O-CB 3.34Å; L67-K71 PolarHBondContact O-N 2.86Å
68	Q	96.8	Very high	96.4	Very high	81 Å²	81	57.4 Å²	57.4	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-45.8	171.4	178.5	173.8	64.6	0	0	111.1	A30 G31 N64 A65 L66 K71 L72	A30-Q68 HydrophobicContact CB-CB 4.34Å; A30-Q68 HydrophobicContact CB-CG 4.3Å; A30-Q68 VanDerWaalsContact CB-OE1 3.3Å; G31-Q68 PolarHBondContact O-OE1 3.3Å; N64-Q68 WeakPolarHBondContact O-CB 3.26Å; N64-Q68 PolarHBondContact O-N 3.32Å; A65-Q68 PolarHBondContact O-N 3.38Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 2.78Å; Q68-K71 PolarHBondContact O-N 3.08Å; Q68-L72 HydrophobicContact CG-CD1 3.9Å; Q68-L72 WeakPolarHBondContact O-CB 3.36Å; Q68-L72 WeakPolarHBondContact O-CG 3.41Å; Q68-L72 PolarHBondContact O-N 3.01Å; Q68-L72 VanDerWaalsContact O-N 3.08Å
69	C	97.6	Very high	96.5	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-49.2	174.8	-75	0	0	0	0	111.6	A30 A65 L66 K71 L72 G73 I74 T76	A30-C69 WeakPolarHBondContact CB-SG 3.41Å; A65-C69 PolarHBondContact O-N 3.23Å; L66-C69 WeakPolarHBondContact O-CB 3.13Å; L66-C69 PolarHBondContact O-N 3.02Å; L66-C69 VanDerWaalsContact O-N 3.15Å; C69-K71 PolarHBondContact O-N 3.43Å; C69-L72 PolarHBondContact O-N 3.34Å; C69-G73 PolarHBondContact O-N 3.36Å; C69-I74 HydrophobicContact CB-CB 4.24Å; C69-I74 WeakPolarHBondContact CB-O 3.38Å; C69-I74 PolarHBondContact O-N 2.79Å; C69-T76 HydrophobicContact CB-CG2 3.61Å; C69-T76 VanDerWaalsContact SG-CG2 3.56Å
70	A	97.4	Very high	96.3	Very high	78 Å²	78	56.7 Å²	56.7	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-60.4	-45.4	179.5	0	0	0	0	0	112	L66 L67 L72 G73	L66-A70 PolarHBondContact O-N 3.43Å; L67-A70 PolarHBondContact O-N 3.06Å; A70-L72 VanDerWaalsContact C-N 3.28Å; A70-L72 PolarHBondContact O-N 3.1Å; A70-G73 PolarHBondContact O-N 3.43Å
71	K	95.7	Very high	96.1	Very high	182 Å²	182	53.2 Å²	53.2	79%	0.791	30%	0.301	S	S	*	.	H	α-helix	trans	-63.5	-31.9	179.3	-175.9	173.9	-178.4	176.1	0	113	L67 Q68 C69	L67-K71 WeakPolarHBondContact O-CB 3.34Å; L67-K71 PolarHBondContact O-N 2.86Å; Q68-K71 PolarHBondContact O-N 3.08Å; C69-K71 PolarHBondContact O-N 3.43Å
72	L	95.8	Very high	95.8	Very high	112 Å²	112	55.8 Å²	55.8	59%	0.586	31%	0.311	S	S	*	.	H	α-helix	trans	-101.2	3.4	-176.2	-62.7	178.2	0	0	0	113.7	Q68 C69 A70 I74	Q68-L72 HydrophobicContact CG-CD1 3.9Å; Q68-L72 WeakPolarHBondContact O-CB 3.36Å; Q68-L72 WeakPolarHBondContact O-CG 3.41Å; Q68-L72 PolarHBondContact O-N 3.01Å; Q68-L72 VanDerWaalsContact O-N 3.08Å; C69-L72 PolarHBondContact O-N 3.34Å; A70-L72 VanDerWaalsContact C-N 3.28Å; A70-L72 PolarHBondContact O-N 3.1Å; L72-I74 VanDerWaalsContact C-N 3.27Å; L72-I74 HydrophobicContact CB-CD1 3.78Å; L72-I74 HydrophobicContact CB-CG1 3.84Å; L72-I74 HydrophobicContact CD1-CD1 4.01Å; L72-I74 PolarHBondContact O-N 3.5Å
73	G	96	Very high	95.2	Very high	73 Å²	73	55.5 Å²	55.5	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	27.6	-177.2	0	0	0	0	0	113.7	C69 A70	C69-G73 PolarHBondContact O-N 3.36Å; A70-G73 PolarHBondContact O-N 3.43Å
74	I	96.8	Very high	94.3	Very high	51 Å²	51	52.9 Å²	52.9	26%	0.262	30%	0.297	S	S	.	.			trans	-91.2	118.4	-179.3	-57.2	172	0	0	0	108.8	I29 C69 L72	I29-I74 HydrophobicContact CB-CG2 3.95Å; I29-I74 HydrophobicContact CD1-CG2 4.03Å; I29-I74 HydrophobicContact CG1-CG2 4.48Å; C69-I74 HydrophobicContact CB-CB 4.24Å; C69-I74 WeakPolarHBondContact CB-O 3.38Å; C69-I74 PolarHBondContact O-N 2.79Å; L72-I74 VanDerWaalsContact C-N 3.27Å; L72-I74 HydrophobicContact CB-CD1 3.78Å; L72-I74 HydrophobicContact CB-CG1 3.84Å; L72-I74 HydrophobicContact CD1-CD1 4.01Å; L72-I74 PolarHBondContact O-N 3.5Å
75	A	96.6	Very high	93.7	Very high	51 Å²	51	51.8 Å²	51.8	42%	0.421	29%	0.291	S	S	.	.			trans	-68.4	133.7	178.7	0	0	0	0	0	112.3	R24	R24-A75 VanDerWaalsContact CZ-O 3.24Å; R24-A75 PolarHBondContact NE-O 2.84Å; R24-A75 VanDerWaalsContact NH1-CB 3.35Å; R24-A75 PolarHBondContact NH1-O 3.13Å
76	T	96.6	Very high	93.1	Very high	21 Å²	21	52.3 Å²	52.3	13%	0.129	29%	0.293	C	S	.	.			trans	-102	-9	177.7	48.4	0	0	0	0	113.7	I22 L66 C69 Q78 A79 A98	I22-T76 HydrophobicContact CD1-CG2 4.4Å; L66-T76 HydrophobicContact CD2-CG2 4.05Å; C69-T76 HydrophobicContact CB-CG2 3.61Å; C69-T76 VanDerWaalsContact SG-CG2 3.56Å; T76-Q78 PolarHBondContact O-N 3.14Å; T76-A79 WeakPolarHBondContact O-CB 3.32Å; T76-A79 PolarHBondContact O-N 3.24Å; T76-A98 CarbonylContact C-O 3.57Å; T76-A98 WeakPolarHBondContact CB-O 3.37Å; T76-A98 PolarHBondContact OG1-O 3.01Å
77	D	94.7	Very high	92.7	Very high	81 Å²	81	51.3 Å²	51.3	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.2	178.9	-171.6	44.9	0	0	0	111	R24 A79	R24-D77 WeakPolarHBondContact CD-O 3.36Å; D77-A79 PolarHBondContact O-N 3.09Å; D77-A79 VanDerWaalsContact O-N 3.13Å
78	Q	89.5	Confident	92.5	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	5.6	-172.5	-47.7	-56.7	-50.2	0	0	115.7	T76 G99 K101	T76-Q78 PolarHBondContact O-N 3.14Å; Q78-G99 PolarHBondContact N-O 3.29Å; Q78-G99 VanDerWaalsContact N-O 3.15Å; Q78-K101 VanDerWaalsContact CD-CE 3.47Å
79	A	94.4	Very high	92.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	27%	0.273	C	S	.	.			trans	-76.6	167.9	177.3	0	0	0	0	0	111.9	I22 V23 R24 I29 T76 D77 I100 K101	I22-A79 HydrophobicContact CG2-CB 3.72Å; V23-A79 WeakPolarHBondContact O-CA 3.1Å; V23-A79 WeakPolarHBondContact O-CB 3.38Å; R24-A79 HydrophobicContact CB-CB 3.85Å; R24-A79 HydrophobicContact CG-CB 4.17Å; I29-A79 HydrophobicContact CD1-CB 4.24Å; T76-A79 WeakPolarHBondContact O-CB 3.32Å; T76-A79 PolarHBondContact O-N 3.24Å; D77-A79 PolarHBondContact O-N 3.09Å; D77-A79 VanDerWaalsContact O-N 3.13Å; A79-I100 HydrophobicContact CB-CD1 3.78Å; A79-I100 CarbonylContact O-C 3.6Å; A79-I100 WeakPolarHBondContact O-CA 3.32Å; A79-K101 PolarHBondContact O-N 2.8Å
80	E	92.6	Very high	92.2	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.4	170.1	58.9	176.2	-162.2	0	0	109.9	I22 V23 Y82 K102 H104	I22-E80 CarbonylContact C-O 3.35Å; I22-E80 WeakPolarHBondContact CA-O 3.28Å; V23-E80 HydrophobicContact CB-CG 4Å; V23-E80 PolarHBondContact N-O 3.23Å; V23-E80 WeakPolarHBondContact O-CG 3.39Å; V23-E80 PolarHBondContact O-N 3.49Å; E80-Y82 HydrophobicContact CG-CE2 3.98Å; E80-Y82 VanDerWaalsContact OE1-CE2 3.25Å; E80-Y82 WeakPolarHBondContact OE1-CE2 3.27Å; E80-Y82 PolarHBondContact OE1-OH 3.42Å; E80-K102 CarbonylContact C-O 3.56Å; E80-K102 VanDerWaalsContact CA-O 3.31Å; E80-K102 WeakPolarHBondContact CA-O 3.26Å; E80-K102 HydrophobicContact CB-CB 3.84Å; E80-H104 IonicContact OE2-CD2 2.83Å; E80-H104 IonicContact OE2-CE1 3.95Å; E80-H104 IonicContact OE2-NE2 3.85Å; E80-H104 PolarHBondContact OE2-NE2 2.9Å
81	V	92	Very high	92.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.5	176.8	72.6	0	0	0	0	110.7	A20 T21 I22 V83 L95 I100 K102 I103 H104	A20-V81 HydrophobicContact CB-CG2 4.45Å; T21-V81 CarbonylContact O-C 3.6Å; T21-V81 WeakPolarHBondContact O-CA 3.34Å; I22-V81 HydrophobicContact CG1-CB 4.32Å; I22-V81 HydrophobicContact CG1-CG2 3.84Å; V81-V83 HydrophobicContact CG1-CG1 4.25Å; V81-V83 HydrophobicContact CG2-CG1 3.77Å; V81-L95 HydrophobicContact CB-CD2 4.18Å; V81-L95 HydrophobicContact CG1-CD1 3.98Å; V81-L95 HydrophobicContact CG1-CD2 3.96Å; V81-L95 HydrophobicContact CG2-CD2 4.21Å; V81-I100 HydrophobicContact CB-CG2 4.17Å; V81-I100 HydrophobicContact CG1-CG2 3.95Å; V81-K102 PolarHBondContact N-O 3.3Å; V81-I103 HydrophobicContact CG1-CB 4.13Å; V81-I103 HydrophobicContact CG1-CG1 3.92Å; V81-I103 HydrophobicContact CG1-CG2 3.96Å; V81-H104 PolarHBondContact O-CD2 2.79Å; V81-H104 PolarHBondContact O-N 3.1Å
82	Y	90.5	Very high	92.1	Very high	54 Å²	54	37.5 Å²	37.5	21%	0.212	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.8	169.5	-63.6	-99.3	0	0	0	108.9	M1 A4 A20 T21 V23 E80 H104	M1-Y82 HydrophobicContact CB-CD1 4.13Å; M1-Y82 HydrophobicContact CE-CD1 4.32Å; M1-Y82 VanDerWaalsContact N-CD1 3.28Å; A4-Y82 VanDerWaalsContact CB-O 3.24Å; A4-Y82 WeakPolarHBondContact CB-O 3.37Å; A20-Y82 CarbonylContact C-O 3.48Å; A20-Y82 VanDerWaalsContact CA-O 3.27Å; A20-Y82 WeakPolarHBondContact CA-O 3.34Å; T21-Y82 PolarHBondContact N-O 3.12Å; T21-Y82 PolarHBondContact O-N 3.39Å; V23-Y82 HydrophobicContact CB-CE2 4.11Å; V23-Y82 HydrophobicContact CG2-CD2 3.84Å; V23-Y82 HydrophobicContact CG2-CE2 3.76Å; E80-Y82 HydrophobicContact CG-CE2 3.98Å; E80-Y82 VanDerWaalsContact OE1-CE2 3.25Å; E80-Y82 WeakPolarHBondContact OE1-CE2 3.27Å; E80-Y82 PolarHBondContact OE1-OH 3.42Å; Y82-H104 CarbonylContact C-O 3.3Å; Y82-H104 VanDerWaalsContact CA-O 3.29Å; Y82-H104 WeakPolarHBondContact CA-O 3.48Å; Y82-H104 HydrophobicContact CD1-CB 3.46Å; Y82-H104 VanDerWaalsContact CD1-CB 3.46Å; Y82-H104 AromaticContact CD1-CD2 3.99Å; Y82-H104 AromaticContact CD1-CG 3.76Å; Y82-H104 HydrophobicContact CE1-CB 3.79Å; Y82-H104 AromaticContact CE1-CD2 3.65Å; Y82-H104 AromaticContact CE1-CG 3.54Å; Y82-H104 AromaticContact CE1-ND1 3.89Å; Y82-H104 AromaticContact CE2-CD2 3.91Å; Y82-H104 HydrophobicContact CG-CB 4.05Å; Y82-H104 AromaticContact CZ-CD2 3.59Å; Y82-H104 AromaticContact CZ-CG 3.98Å; Y82-H104 AromaticContact CZ-NE2 3.73Å
83	V	87.6	Confident	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.9	-176.8	-60.8	0	0	0	0	111.4	M1 G19 A20 E62 V81 H85 P87 I103 H104 Y105 L106	M1-V83 VanDerWaalsContact CE-O 3.28Å; M1-V83 WeakPolarHBondContact CE-O 3.09Å; G19-V83 CarbonylContact O-C 3.57Å; G19-V83 WeakPolarHBondContact O-CA 3.39Å; A20-V83 HydrophobicContact CB-CG1 3.86Å; E62-V83 HydrophobicContact CG-CG1 3.65Å; V81-V83 HydrophobicContact CG1-CG1 4.25Å; V81-V83 HydrophobicContact CG2-CG1 3.77Å; V83-H85 VanDerWaalsContact C-N 3.33Å; V83-H85 WeakPolarHBondContact CG2-O 3.33Å; V83-H85 PolarHBondContact O-N 3.08Å; V83-P87 HydrophobicContact CG2-CG 3.95Å; V83-I103 HydrophobicContact CG2-CG2 4.32Å; V83-H104 WeakPolarHBondContact CG2-O 3.46Å; V83-H104 PolarHBondContact N-O 3.25Å; V83-Y105 CarbonylContact O-C 3.52Å; V83-Y105 VanDerWaalsContact O-CA 3.22Å; V83-Y105 WeakPolarHBondContact O-CA 3.16Å; V83-L106 PolarHBondContact O-N 3.23Å; V83-L106 VanDerWaalsContact O-N 3.13Å
84	T	78.7	Confident	92.2	Very high	4 Å²	4	35 Å²	35	3%	0.025	19%	0.193	C	C	.	.	S	Bend	trans	-71.7	-25.1	-178.8	51.5	0	0	0	0	114.4	A4 V5 V18 G19 L106 K107	A4-T84 HydrophobicContact CB-CG2 4.3Å; V5-T84 HydrophobicContact CB-CG2 4.47Å; V5-T84 HydrophobicContact CG2-CG2 3.93Å; V18-T84 VanDerWaalsContact CA-OG1 3.32Å; V18-T84 WeakPolarHBondContact CA-OG1 3.39Å; V18-T84 WeakPolarHBondContact CG1-OG1 3.35Å; G19-T84 PolarHBondContact N-OG1 3.11Å; G19-T84 PolarHBondContact O-N 3Å; G19-T84 PolarHBondContact O-OG1 3.25Å; T84-L106 WeakPolarHBondContact O-CB 3.45Å; T84-K107 PolarHBondContact O-N 3.24Å
85	H	84.6	Confident	92.2	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.083	18%	0.181	C	C	.	.	S	Bend	trans	-137.3	150.7	-177.7	-62.9	86.4	0	0	0	108.5	E17 V83 K107 Y109	E17-H85 PolarHBondContact O-CE1 2.96Å; E17-H85 VanDerWaalsContact O-CE1 3.22Å; V83-H85 VanDerWaalsContact C-N 3.33Å; V83-H85 WeakPolarHBondContact CG2-O 3.33Å; V83-H85 PolarHBondContact O-N 3.08Å; H85-K107 CarbonylContact C-O 3.48Å; H85-K107 WeakPolarHBondContact CA-O 3.15Å; H85-Y109 HydrophobicContact CB-CG 4.38Å
86	F	85.7	Confident	91.9	Very high	11 Å²	11	32.2 Å²	32.2	5%	0.048	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-53.7	127.6	176.3	-172.4	-87.2	0	0	0	110	Y105 K107 N111 A115 I116 I119	F86-Y105 HydrophobicContact CB-CD2 4.08Å; F86-Y105 HydrophobicContact CB-CE2 4.3Å; F86-Y105 HydrophobicContact CB-CG 4.42Å; F86-Y105 AromaticContact CD2-CD1 3.94Å; F86-Y105 HydrophobicContact CD2-CD1 3.94Å; F86-Y105 HydrophobicContact CD2-CD2 4.26Å; F86-Y105 AromaticContact CD2-CE1 3.73Å; F86-Y105 HydrophobicContact CD2-CE1 3.73Å; F86-Y105 HydrophobicContact CD2-CE2 4.07Å; F86-Y105 HydrophobicContact CD2-CG 4.2Å; F86-Y105 AromaticContact CD2-CZ 3.78Å; F86-Y105 HydrophobicContact CE2-CE1 4.2Å; F86-K107 PolarHBondContact N-O 3.1Å; F86-N111 WeakPolarHBondContact CB-OD1 3.42Å; F86-N111 HydrophobicContact CD1-CB 3.94Å; F86-N111 HydrophobicContact CD2-CB 4.48Å; F86-N111 HydrophobicContact CE1-CB 4.06Å; F86-N111 HydrophobicContact CG-CB 4.17Å; F86-N111 HydrophobicContact CZ-CB 4.38Å; F86-A115 HydrophobicContact CE1-CB 4.09Å; F86-A115 HydrophobicContact CZ-CB 4.37Å; F86-I116 HydrophobicContact CE2-CG1 4.37Å; F86-I116 HydrophobicContact CZ-CG1 3.86Å; F86-I119 HydrophobicContact CE2-CD1 4.17Å; F86-I119 HydrophobicContact CZ-CD1 3.93Å
87	P	90.1	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-65.4	142.8	-176.3	-18.7	30	0	0	0	112	E62 V83 C91 T92 L95 I103	E62-P87 HydrophobicContact CG-CB 4.33Å; E62-P87 HydrophobicContact CG-CG 4.43Å; E62-P87 VanDerWaalsContact OE1-CA 3.31Å; E62-P87 WeakPolarHBondContact OE1-CA 3.36Å; E62-P87 WeakPolarHBondContact OE1-CB 3.41Å; V83-P87 HydrophobicContact CG2-CG 3.95Å; P87-C91 HydrophobicContact CB-CB 3.87Å; P87-T92 PolarHBondContact O-OG1 2.67Å; P87-L95 HydrophobicContact CB-CD1 4.31Å; P87-L95 HydrophobicContact CG-CD1 4.04Å; P87-I103 HydrophobicContact CG-CG2 3.87Å
88	C	93	Very high	91.9	Very high	48 Å²	48	36.8 Å²	36.8	32%	0.324	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-64.7	161.8	170.4	75	0	0	0	0	110.9	A90 C91 T92	C88-A90 VanDerWaalsContact C-N 3.25Å; C88-A90 PolarHBondContact O-N 2.96Å; C88-A90 VanDerWaalsContact O-N 3.11Å; C88-C91 PolarHBondContact O-N 3.4Å; C88-T92 PolarHBondContact O-N 2.88Å; C88-T92 PolarHBondContact O-OG1 3.46Å
89	L	92.4	Very high	92.1	Very high	44 Å²	44	31.5 Å²	31.5	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-50	-42.4	-178.3	176.3	60	0	0	0	113.8	T92 K93 D112 Y114 A115 L118	L89-T92 PolarHBondContact O-N 3.02Å; L89-K93 HydrophobicContact CD1-CD 4.33Å; L89-K93 HydrophobicContact CD1-CG 4.21Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 3.44Å; L89-D112 HydrophobicContact CB-CB 4.32Å; L89-Y114 HydrophobicContact CD1-CD1 3.57Å; L89-Y114 HydrophobicContact CD1-CE1 4.23Å; L89-Y114 HydrophobicContact CD1-CG 4.38Å; L89-Y114 HydrophobicContact CD2-CD1 4.02Å; L89-Y114 HydrophobicContact CG-CD1 4.43Å; L89-A115 HydrophobicContact CD1-CB 4.04Å; L89-L118 HydrophobicContact CD1-CD1 4.07Å
90	A	95.7	Very high	92	Very high	52 Å²	52	31.6 Å²	31.6	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-42.8	178.5	0	0	0	0	0	112.5	C88 A94	C88-A90 VanDerWaalsContact C-N 3.25Å; C88-A90 PolarHBondContact O-N 2.96Å; C88-A90 VanDerWaalsContact O-N 3.11Å; A90-A94 PolarHBondContact O-N 2.81Å; A90-A94 VanDerWaalsContact O-N 3.12Å
91	C	97.6	Very high	91.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-41.1	177.1	-67.3	0	0	0	0	111.2	H60 E62 P87 C88 K93 A94 L95	H60-C91 PolarHBondContact ND1-SG 2.67Å; E62-C91 HydrophobicContact CB-CB 3.94Å; E62-C91 HydrophobicContact CG-CB 4.2Å; P87-C91 HydrophobicContact CB-CB 3.87Å; C88-C91 PolarHBondContact O-N 3.4Å; C91-K93 PolarHBondContact O-N 3.43Å; C91-A94 PolarHBondContact O-N 2.91Å; C91-L95 WeakPolarHBondContact O-CB 3.38Å; C91-L95 VanDerWaalsContact O-CG 3.25Å; C91-L95 WeakPolarHBondContact O-CG 3.45Å; C91-L95 PolarHBondContact O-N 3.21Å
92	T	93.7	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-49.8	175.3	-59.8	0	0	0	0	111.4	P87 C88 L89 A94 L95 L96 I103 A115 I119	P87-T92 PolarHBondContact O-OG1 2.67Å; C88-T92 PolarHBondContact O-N 2.88Å; C88-T92 PolarHBondContact O-OG1 3.46Å; L89-T92 PolarHBondContact O-N 3.02Å; T92-A94 VanDerWaalsContact C-N 3.32Å; T92-A94 PolarHBondContact O-N 3.33Å; T92-L95 PolarHBondContact O-N 3.22Å; T92-L96 HydrophobicContact CG2-CD1 3.96Å; T92-L96 HydrophobicContact CG2-CG 4.43Å; T92-L96 WeakPolarHBondContact O-CG 3.22Å; T92-L96 PolarHBondContact O-N 3.26Å; T92-I103 HydrophobicContact CG2-CD1 4.43Å; T92-A115 HydrophobicContact CG2-CB 4.04Å; T92-I119 HydrophobicContact CG2-CD1 3.88Å; T92-I119 HydrophobicContact CG2-CG1 3.74Å
93	K	95.5	Very high	91.1	Very high	105 Å²	105	35.5 Å²	35.5	46%	0.457	19%	0.19	S	C	.	.	H	α-helix	trans	-57.3	-45.5	176	-73.2	-173.5	-60	-177.5	0	111.8	L89 C91 L96 Q97 L118	L89-K93 HydrophobicContact CD1-CD 4.33Å; L89-K93 HydrophobicContact CD1-CG 4.21Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 3.44Å; C91-K93 PolarHBondContact O-N 3.43Å; K93-L96 PolarHBondContact O-N 2.89Å; K93-Q97 VanDerWaalsContact O-CB 3.23Å; K93-Q97 WeakPolarHBondContact O-CB 3.4Å; K93-Q97 PolarHBondContact O-N 3.02Å; K93-L118 HydrophobicContact CD-CD1 4.39Å; K93-L118 HydrophobicContact CG-CD1 3.73Å
94	A	97.8	Very high	90.9	Very high	26 Å²	26	37 Å²	37	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-43.9	179.4	0	0	0	0	0	112.6	M63 L66 A90 C91 T92 Q97 A98	M63-A94 HydrophobicContact CE-CB 3.67Å; M63-A94 HydrophobicContact SD-CB 3.71Å; L66-A94 HydrophobicContact CD1-CB 3.88Å; A90-A94 PolarHBondContact O-N 2.81Å; A90-A94 VanDerWaalsContact O-N 3.12Å; C91-A94 PolarHBondContact O-N 2.91Å; T92-A94 VanDerWaalsContact C-N 3.32Å; T92-A94 PolarHBondContact O-N 3.33Å; A94-Q97 PolarHBondContact O-N 2.89Å; A94-A98 VanDerWaalsContact O-CB 3.24Å; A94-A98 WeakPolarHBondContact O-CB 3.24Å; A94-A98 PolarHBondContact O-N 3.41Å
95	L	96.2	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-49.4	176.8	-71	165.6	0	0	0	111.1	E62 L66 V81 P87 C91 T92 A98 G99 I100 I103	E62-L95 HydrophobicContact CB-CD1 4.26Å; E62-L95 HydrophobicContact CB-CD2 4.45Å; E62-L95 HydrophobicContact CB-CG 4.47Å; E62-L95 HydrophobicContact CG-CD1 4.22Å; L66-L95 HydrophobicContact CD1-CD2 4.03Å; L66-L95 HydrophobicContact CD1-CG 4.35Å; L66-L95 HydrophobicContact CD2-CD2 4.28Å; L66-L95 HydrophobicContact CG-CD2 4.15Å; V81-L95 HydrophobicContact CB-CD2 4.18Å; V81-L95 HydrophobicContact CG1-CD1 3.98Å; V81-L95 HydrophobicContact CG1-CD2 3.96Å; V81-L95 HydrophobicContact CG2-CD2 4.21Å; P87-L95 HydrophobicContact CB-CD1 4.31Å; P87-L95 HydrophobicContact CG-CD1 4.04Å; C91-L95 WeakPolarHBondContact O-CB 3.38Å; C91-L95 VanDerWaalsContact O-CG 3.25Å; C91-L95 WeakPolarHBondContact O-CG 3.45Å; C91-L95 PolarHBondContact O-N 3.21Å; T92-L95 PolarHBondContact O-N 3.22Å; L95-A98 PolarHBondContact O-N 2.93Å; L95-G99 PolarHBondContact O-N 3.46Å; L95-I100 HydrophobicContact CB-CB 4.21Å; L95-I100 HydrophobicContact CB-CG1 4.15Å; L95-I100 HydrophobicContact CD2-CG1 3.93Å; L95-I100 WeakPolarHBondContact O-CB 3.26Å; L95-I100 VanDerWaalsContact O-CG1 3.23Å; L95-I100 WeakPolarHBondContact O-CG1 3.37Å; L95-I100 PolarHBondContact O-N 3.01Å; L95-I103 HydrophobicContact CB-CD1 4.24Å; L95-I103 HydrophobicContact CD1-CD1 3.94Å; L95-I103 HydrophobicContact CD1-CG1 4.39Å
96	L	91.2	Very high	90	Very high	44 Å²	44	43.5 Å²	43.5	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-44.2	179.3	-65.9	175.2	0	0	0	111.6	T92 K93 A98 G99 L118	T92-L96 HydrophobicContact CG2-CD1 3.96Å; T92-L96 HydrophobicContact CG2-CG 4.43Å; T92-L96 WeakPolarHBondContact O-CG 3.22Å; T92-L96 PolarHBondContact O-N 3.26Å; K93-L96 PolarHBondContact O-N 2.89Å; L96-A98 VanDerWaalsContact C-N 3.26Å; L96-A98 PolarHBondContact O-N 3.02Å; L96-G99 PolarHBondContact O-N 3.46Å; L96-L118 HydrophobicContact CD1-CB 3.7Å
97	Q	95.2	Very high	89.2	Confident	171 Å²	171	47.1 Å²	47.1	80%	0.799	24%	0.242	S	C	*	.	H	α-helix	trans	-64.3	-31	177.5	-171.6	61.6	52.6	0	0	112.6	K93 A94 G99	K93-Q97 VanDerWaalsContact O-CB 3.23Å; K93-Q97 WeakPolarHBondContact O-CB 3.4Å; K93-Q97 PolarHBondContact O-N 3.02Å; A94-Q97 PolarHBondContact O-N 2.89Å; Q97-G99 PolarHBondContact O-N 3.22Å
98	A	96	Very high	88.4	Confident	27 Å²	27	52.3 Å²	52.3	22%	0.223	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.5	174.5	0	0	0	0	0	113.6	L66 T76 A94 L95 L96	L66-A98 HydrophobicContact CD1-CB 4.31Å; L66-A98 HydrophobicContact CD2-CB 3.57Å; T76-A98 CarbonylContact C-O 3.57Å; T76-A98 WeakPolarHBondContact CB-O 3.37Å; T76-A98 PolarHBondContact OG1-O 3.01Å; A94-A98 VanDerWaalsContact O-CB 3.24Å; A94-A98 WeakPolarHBondContact O-CB 3.24Å; A94-A98 PolarHBondContact O-N 3.41Å; L95-A98 PolarHBondContact O-N 2.93Å; L96-A98 VanDerWaalsContact C-N 3.26Å; L96-A98 PolarHBondContact O-N 3.02Å
99	G	93.4	Very high	87.7	Confident	8 Å²	8	54.6 Å²	54.6	8%	0.082	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	12.1	178.2	0	0	0	0	0	114.6	Q78 L95 L96 Q97 K101	Q78-G99 PolarHBondContact N-O 3.29Å; Q78-G99 VanDerWaalsContact N-O 3.15Å; L95-G99 PolarHBondContact O-N 3.46Å; L96-G99 PolarHBondContact O-N 3.46Å; Q97-G99 PolarHBondContact O-N 3.22Å; G99-K101 PolarHBondContact O-N 3.15Å
100	I	92.5	Very high	87	Confident	3 Å²	3	61 Å²	61	2%	0.015	29%	0.293	C	S	.	.			trans	-64.3	122.4	174	-57.8	-59.3	0	0	0	109.4	I22 A79 V81 L95 K102 I103	I22-I100 HydrophobicContact CG2-CD1 3.9Å; A79-I100 HydrophobicContact CB-CD1 3.78Å; A79-I100 CarbonylContact O-C 3.6Å; A79-I100 WeakPolarHBondContact O-CA 3.32Å; V81-I100 HydrophobicContact CB-CG2 4.17Å; V81-I100 HydrophobicContact CG1-CG2 3.95Å; L95-I100 HydrophobicContact CB-CB 4.21Å; L95-I100 HydrophobicContact CB-CG1 4.15Å; L95-I100 HydrophobicContact CD2-CG1 3.93Å; L95-I100 WeakPolarHBondContact O-CB 3.26Å; L95-I100 VanDerWaalsContact O-CG1 3.23Å; L95-I100 WeakPolarHBondContact O-CG1 3.37Å; L95-I100 PolarHBondContact O-N 3.01Å; I100-K102 WeakPolarHBondContact CG2-O 3.34Å; I100-I103 HydrophobicContact CG2-CG1 4.3Å
101	K	85.5	Confident	86.1	Confident	58 Å²	58	60.8 Å²	60.8	25%	0.252	29%	0.285	S	S	.	.			trans	-92.7	-23.4	-175.6	-61.6	-60.5	175.6	-170.2	0	114	Q78 A79 G99 A124	Q78-K101 VanDerWaalsContact CD-CE 3.47Å; A79-K101 PolarHBondContact O-N 2.8Å; G99-K101 PolarHBondContact O-N 3.15Å; K101-A124 HydrophobicContact CB-CB 4.21Å; K101-A124 WeakPolarHBondContact O-CB 3.44Å
102	K	85.3	Confident	85.4	Confident	95 Å²	95	63.2 Å²	63.2	41%	0.413	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.7	-179.9	-62.4	-176.3	-179.1	-178.7	0	110.8	E80 V81 I100	E80-K102 CarbonylContact C-O 3.56Å; E80-K102 VanDerWaalsContact CA-O 3.31Å; E80-K102 WeakPolarHBondContact CA-O 3.26Å; E80-K102 HydrophobicContact CB-CB 3.84Å; V81-K102 PolarHBondContact N-O 3.3Å; I100-K102 WeakPolarHBondContact CG2-O 3.34Å
103	I	85.8	Confident	84.6	Confident	30 Å²	30	68.2 Å²	68.2	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.6	175.2	-57.1	178.8	0	0	0	107.8	V81 V83 P87 T92 L95 I100 I119	V81-I103 HydrophobicContact CG1-CB 4.13Å; V81-I103 HydrophobicContact CG1-CG1 3.92Å; V81-I103 HydrophobicContact CG1-CG2 3.96Å; V83-I103 HydrophobicContact CG2-CG2 4.32Å; P87-I103 HydrophobicContact CG-CG2 3.87Å; T92-I103 HydrophobicContact CG2-CD1 4.43Å; L95-I103 HydrophobicContact CB-CD1 4.24Å; L95-I103 HydrophobicContact CD1-CD1 3.94Å; L95-I103 HydrophobicContact CD1-CG1 4.39Å; I100-I103 HydrophobicContact CG2-CG1 4.3Å; I103-I119 HydrophobicContact CD1-CD1 4.14Å; I103-I119 HydrophobicContact CD1-CG1 4.14Å
104	H	82.4	Confident	83.9	Confident	32 Å²	32	68.7 Å²	68.7	15%	0.148	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.2	174.7	-56.5	-96.5	0	0	0	108.9	M1 E80 V81 Y82 V83 F167	M1-H104 HydrophobicContact CE-CB 4.42Å; E80-H104 IonicContact OE2-CD2 2.83Å; E80-H104 IonicContact OE2-CE1 3.95Å; E80-H104 IonicContact OE2-NE2 3.85Å; E80-H104 PolarHBondContact OE2-NE2 2.9Å; V81-H104 PolarHBondContact O-CD2 2.79Å; V81-H104 PolarHBondContact O-N 3.1Å; Y82-H104 CarbonylContact C-O 3.3Å; Y82-H104 VanDerWaalsContact CA-O 3.29Å; Y82-H104 WeakPolarHBondContact CA-O 3.48Å; Y82-H104 HydrophobicContact CD1-CB 3.46Å; Y82-H104 VanDerWaalsContact CD1-CB 3.46Å; Y82-H104 AromaticContact CD1-CD2 3.99Å; Y82-H104 AromaticContact CD1-CG 3.76Å; Y82-H104 HydrophobicContact CE1-CB 3.79Å; Y82-H104 AromaticContact CE1-CD2 3.65Å; Y82-H104 AromaticContact CE1-CG 3.54Å; Y82-H104 AromaticContact CE1-ND1 3.89Å; Y82-H104 AromaticContact CE2-CD2 3.91Å; Y82-H104 HydrophobicContact CG-CB 4.05Å; Y82-H104 AromaticContact CZ-CD2 3.59Å; Y82-H104 AromaticContact CZ-CG 3.98Å; Y82-H104 AromaticContact CZ-NE2 3.73Å; V83-H104 WeakPolarHBondContact CG2-O 3.46Å; V83-H104 PolarHBondContact N-O 3.25Å; H104-F167 AromaticContact CE1-CD1 3.95Å; H104-F167 AromaticContact CE1-CE1 3.64Å; H104-F167 AromaticContact ND1-CD1 3.83Å; H104-F167 AromaticContact ND1-CE1 3.85Å
105	Y	79.7	Confident	83.1	Confident	87 Å²	87	67.5 Å²	67.5	34%	0.341	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154	178.8	69.8	-84.5	0	0	0	112.7	V83 F86 K107 D108	V83-Y105 CarbonylContact O-C 3.52Å; V83-Y105 VanDerWaalsContact O-CA 3.22Å; V83-Y105 WeakPolarHBondContact O-CA 3.16Å; F86-Y105 HydrophobicContact CB-CD2 4.08Å; F86-Y105 HydrophobicContact CB-CE2 4.3Å; F86-Y105 HydrophobicContact CB-CG 4.42Å; F86-Y105 AromaticContact CD2-CD1 3.94Å; F86-Y105 HydrophobicContact CD2-CD1 3.94Å; F86-Y105 HydrophobicContact CD2-CD2 4.26Å; F86-Y105 AromaticContact CD2-CE1 3.73Å; F86-Y105 HydrophobicContact CD2-CE1 3.73Å; F86-Y105 HydrophobicContact CD2-CE2 4.07Å; F86-Y105 HydrophobicContact CD2-CG 4.2Å; F86-Y105 AromaticContact CD2-CZ 3.78Å; F86-Y105 HydrophobicContact CE2-CE1 4.2Å; Y105-K107 WeakPolarHBondContact CD2-O 3.3Å; Y105-D108 VanDerWaalsContact CE2-OD1 3.22Å; Y105-D108 WeakPolarHBondContact CE2-OD1 3.49Å; Y105-D108 PolarHBondContact OH-OD1 3.33Å; Y105-D108 VanDerWaalsContact OH-OD1 3.1Å
106	L	64.7	Low	82.3	Confident	71 Å²	71	70.6 Å²	70.6	37%	0.372	34%	0.335	S	S	.	.	S	Bend	trans	-95.9	-32.7	-176.2	179.2	65.6	0	0	0	113.7	M1 V5 V83 T84 I425	M1-L106 HydrophobicContact CE-CB 4Å; M1-L106 HydrophobicContact CG-CB 4.36Å; M1-L106 HydrophobicContact CG-CD1 4.48Å; M1-L106 HydrophobicContact SD-CB 3.78Å; V5-L106 HydrophobicContact CG2-CD2 3.94Å; V83-L106 PolarHBondContact O-N 3.23Å; V83-L106 VanDerWaalsContact O-N 3.13Å; T84-L106 WeakPolarHBondContact O-CB 3.45Å; L106-I425 HydrophobicContact CD2-CD1 3.84Å
107	K	69	Low	81.6	Confident	86 Å²	86	73 Å²	73	37%	0.374	35%	0.345	S	S	.	.	S	Bend	trans	-138.4	139.1	-177.7	-61	179.6	-173.8	171.2	0	110.6	T84 H85 F86 Y105	T84-K107 PolarHBondContact O-N 3.24Å; H85-K107 CarbonylContact C-O 3.48Å; H85-K107 WeakPolarHBondContact CA-O 3.15Å; F86-K107 PolarHBondContact N-O 3.1Å; Y105-K107 WeakPolarHBondContact CD2-O 3.3Å
108	D	74.5	Confident	80.9	Confident	109 Å²	109	66.2 Å²	66.2	58%	0.583	32%	0.315	S	S	*	.			trans	-61.3	142.1	165.1	-61.7	-57.6	0	0	0	110	Y105 N111	Y105-D108 VanDerWaalsContact CE2-OD1 3.22Å; Y105-D108 WeakPolarHBondContact CE2-OD1 3.49Å; Y105-D108 PolarHBondContact OH-OD1 3.33Å; Y105-D108 VanDerWaalsContact OH-OD1 3.1Å; D108-N111 WeakPolarHBondContact CA-OD1 3.35Å; D108-N111 PolarHBondContact OD1-ND2 2.94Å
109	Y	77.7	Confident	80.1	Confident	97 Å²	97	66.4 Å²	66.4	38%	0.38	31%	0.311	S	S	.	.			trans	-156.8	95.5	179	-173.4	-103.5	0	0	0	110.2	L16 H85 N111	L16-Y109 HydrophobicContact CD1-CE2 4.33Å; L16-Y109 HydrophobicContact CD2-CD1 4.08Å; L16-Y109 HydrophobicContact CD2-CD2 4.22Å; L16-Y109 HydrophobicContact CD2-CE1 3.67Å; L16-Y109 HydrophobicContact CD2-CE2 3.82Å; L16-Y109 HydrophobicContact CD2-CG 4.34Å; H85-Y109 HydrophobicContact CB-CG 4.38Å; Y109-N111 VanDerWaalsContact C-N 3.31Å; Y109-N111 PolarHBondContact N-OD1 3.24Å; Y109-N111 PolarHBondContact O-N 3.46Å
110	R	77.6	Confident	79.1	Confident	179 Å²	179	69.7 Å²	69.7	68%	0.675	33%	0.327	S	S	*	.	S	Bend	trans	47.7	53.7	179.9	-59.6	-177.8	177.7	-170	-1.9	111.8	D112	R110-D112 PolarHBondContact O-N 2.87Å
111	N	76.5	Confident	78.1	Confident	47 Å²	47	74 Å²	74	25%	0.251	35%	0.347	S	S	.	.			trans	-62.7	108.6	-173.7	-56.9	16.1	0	0	0	109.7	F86 D108 Y109 I116	F86-N111 WeakPolarHBondContact CB-OD1 3.42Å; F86-N111 HydrophobicContact CD1-CB 3.94Å; F86-N111 HydrophobicContact CD2-CB 4.48Å; F86-N111 HydrophobicContact CE1-CB 4.06Å; F86-N111 HydrophobicContact CG-CB 4.17Å; F86-N111 HydrophobicContact CZ-CB 4.38Å; D108-N111 WeakPolarHBondContact CA-OD1 3.35Å; D108-N111 PolarHBondContact OD1-ND2 2.94Å; Y109-N111 VanDerWaalsContact C-N 3.31Å; Y109-N111 PolarHBondContact N-OD1 3.24Å; Y109-N111 PolarHBondContact O-N 3.46Å; N111-I116 HydrophobicContact CB-CD1 4.11Å
112	D	82.8	Confident	77.2	Confident	53 Å²	53	71.9 Å²	71.9	28%	0.283	34%	0.34	S	S	.	.			trans	-71	128	-178	-178.7	-76.6	0	0	0	110.2	L89 R110 Y114 A115 I116	L89-D112 HydrophobicContact CB-CB 4.32Å; R110-D112 PolarHBondContact O-N 2.87Å; D112-Y114 VanDerWaalsContact C-N 3.28Å; D112-Y114 PolarHBondContact O-N 3.02Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.44Å; D112-Y114 VanDerWaalsContact OD1-CB 3.31Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.45Å; D112-Y114 PolarHBondContact OD1-N 3.14Å; D112-A115 HydrophobicContact CB-CB 3.87Å; D112-A115 WeakPolarHBondContact O-CB 3.39Å; D112-A115 PolarHBondContact O-N 2.71Å; D112-A115 VanDerWaalsContact O-N 3.13Å; D112-A115 PolarHBondContact OD1-N 3.22Å; D112-I116 PolarHBondContact O-N 3.48Å; D112-I116 VanDerWaalsContact O-N 3.07Å
113	P	77.5	Confident	76.1	Confident	104 Å²	104	71.7 Å²	71.7	68%	0.675	35%	0.348	S	S	*	.	H	α-helix	trans	-58.1	-38.3	-178.4	-26.8	35.1	0	0	0	113.7	I116 E117	P113-I116 PolarHBondContact O-N 3.19Å; P113-E117 PolarHBondContact O-N 2.92Å
114	Y	80.8	Confident	74.9	Confident	116 Å²	116	71.4 Å²	71.4	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-72.7	-33.1	179.2	-177.3	-125.8	0	0	0	111.4	L89 D112 E117 L118	L89-Y114 HydrophobicContact CD1-CD1 3.57Å; L89-Y114 HydrophobicContact CD1-CE1 4.23Å; L89-Y114 HydrophobicContact CD1-CG 4.38Å; L89-Y114 HydrophobicContact CD2-CD1 4.02Å; L89-Y114 HydrophobicContact CG-CD1 4.43Å; D112-Y114 VanDerWaalsContact C-N 3.28Å; D112-Y114 PolarHBondContact O-N 3.02Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.44Å; D112-Y114 VanDerWaalsContact OD1-CB 3.31Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.45Å; D112-Y114 PolarHBondContact OD1-N 3.14Å; Y114-E117 PolarHBondContact O-N 3Å; Y114-L118 HydrophobicContact CD1-CD1 4.13Å; Y114-L118 HydrophobicContact CD2-CG 4.48Å; Y114-L118 HydrophobicContact CE1-CD1 3.81Å; Y114-L118 HydrophobicContact CE1-CG 4.31Å; Y114-L118 HydrophobicContact CE2-CD2 4.25Å; Y114-L118 HydrophobicContact CE2-CG 4.15Å; Y114-L118 VanDerWaalsContact O-CG 3.31Å; Y114-L118 WeakPolarHBondContact O-CG 3.24Å; Y114-L118 PolarHBondContact O-N 2.94Å
115	A	81.7	Confident	73.7	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.7	-42.6	170.3	0	0	0	0	0	112.2	F86 L89 T92 D112 L118 I119	F86-A115 HydrophobicContact CE1-CB 4.09Å; F86-A115 HydrophobicContact CZ-CB 4.37Å; L89-A115 HydrophobicContact CD1-CB 4.04Å; T92-A115 HydrophobicContact CG2-CB 4.04Å; D112-A115 HydrophobicContact CB-CB 3.87Å; D112-A115 WeakPolarHBondContact O-CB 3.39Å; D112-A115 PolarHBondContact O-N 2.71Å; D112-A115 VanDerWaalsContact O-N 3.13Å; D112-A115 PolarHBondContact OD1-N 3.22Å; A115-L118 PolarHBondContact O-N 3.11Å; A115-I119 WeakPolarHBondContact O-CD1 3.45Å; A115-I119 VanDerWaalsContact O-CG1 3.28Å; A115-I119 WeakPolarHBondContact O-CG1 3.48Å; A115-I119 PolarHBondContact O-N 3.46Å; A115-I119 VanDerWaalsContact O-N 3.1Å
116	I	79.4	Confident	72.8	Confident	65 Å²	65	73.4 Å²	73.4	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-45.7	175.2	-65.2	168.2	0	0	0	110.4	F86 N111 D112 P113 L118 I119 N120	F86-I116 HydrophobicContact CE2-CG1 4.37Å; F86-I116 HydrophobicContact CZ-CG1 3.86Å; N111-I116 HydrophobicContact CB-CD1 4.11Å; D112-I116 PolarHBondContact O-N 3.48Å; D112-I116 VanDerWaalsContact O-N 3.07Å; P113-I116 PolarHBondContact O-N 3.19Å; I116-L118 PolarHBondContact O-N 3.2Å; I116-I119 PolarHBondContact O-N 2.87Å; I116-N120 VanDerWaalsContact O-CG 3.31Å; I116-N120 PolarHBondContact O-N 3.45Å; I116-N120 PolarHBondContact O-ND2 2.88Å
117	E	76	Confident	72.4	Confident	94 Å²	94	72.9 Å²	72.9	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-56.6	-48.9	177.1	-169.9	-171.4	163.9	0	0	111.7	P113 Y114 I119 N120 Q121	P113-E117 PolarHBondContact O-N 2.92Å; Y114-E117 PolarHBondContact O-N 3Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 3.22Å; E117-N120 PolarHBondContact O-N 3.22Å; E117-Q121 WeakPolarHBondContact O-CG 3.41Å; E117-Q121 PolarHBondContact O-N 3.32Å; E117-Q121 PolarHBondContact OE1-NE2 3.4Å
118	L	79.7	Confident	71.5	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.157	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-40	178	-72.7	171.7	0	0	0	112.8	L89 K93 L96 Y114 A115 I116 Q121 S122	L89-L118 HydrophobicContact CD1-CD1 4.07Å; K93-L118 HydrophobicContact CD-CD1 4.39Å; K93-L118 HydrophobicContact CG-CD1 3.73Å; L96-L118 HydrophobicContact CD1-CB 3.7Å; Y114-L118 HydrophobicContact CD1-CD1 4.13Å; Y114-L118 HydrophobicContact CD2-CG 4.48Å; Y114-L118 HydrophobicContact CE1-CD1 3.81Å; Y114-L118 HydrophobicContact CE1-CG 4.31Å; Y114-L118 HydrophobicContact CE2-CD2 4.25Å; Y114-L118 HydrophobicContact CE2-CG 4.15Å; Y114-L118 VanDerWaalsContact O-CG 3.31Å; Y114-L118 WeakPolarHBondContact O-CG 3.24Å; Y114-L118 PolarHBondContact O-N 2.94Å; A115-L118 PolarHBondContact O-N 3.11Å; I116-L118 PolarHBondContact O-N 3.2Å; L118-Q121 PolarHBondContact O-N 2.89Å; L118-S122 PolarHBondContact O-N 2.9Å
119	I	79.2	Confident	70.1	Confident	30 Å²	30	69 Å²	69	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-63.3	-45.7	176.8	-69.3	165.1	0	0	0	110.3	F86 T92 I103 A115 I116 E117 Q121 S122 E125	F86-I119 HydrophobicContact CE2-CD1 4.17Å; F86-I119 HydrophobicContact CZ-CD1 3.93Å; T92-I119 HydrophobicContact CG2-CD1 3.88Å; T92-I119 HydrophobicContact CG2-CG1 3.74Å; I103-I119 HydrophobicContact CD1-CD1 4.14Å; I103-I119 HydrophobicContact CD1-CG1 4.14Å; A115-I119 WeakPolarHBondContact O-CD1 3.45Å; A115-I119 VanDerWaalsContact O-CG1 3.28Å; A115-I119 WeakPolarHBondContact O-CG1 3.48Å; A115-I119 PolarHBondContact O-N 3.46Å; A115-I119 VanDerWaalsContact O-N 3.1Å; I116-I119 PolarHBondContact O-N 2.87Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 3.22Å; I119-Q121 VanDerWaalsContact C-N 3.25Å; I119-Q121 PolarHBondContact O-N 3.46Å; I119-S122 WeakPolarHBondContact O-CB 3.39Å; I119-S122 PolarHBondContact O-N 3.37Å; I119-S122 VanDerWaalsContact O-N 3.08Å; I119-S122 PolarHBondContact O-OG 3.38Å; I119-E125 WeakPolarHBondContact O-CG 3.37Å
120	N	72.7	Confident	68.6	Low	78 Å²	78	71.7 Å²	71.7	42%	0.417	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-25.8	179.6	-68.9	-18.1	0	0	0	112.9	I116 E117 S122	I116-N120 VanDerWaalsContact O-CG 3.31Å; I116-N120 PolarHBondContact O-N 3.45Å; I116-N120 PolarHBondContact O-ND2 2.88Å; E117-N120 PolarHBondContact O-N 3.22Å; N120-S122 VanDerWaalsContact C-N 3.29Å
121	Q	71.1	Confident	67.4	Low	93 Å²	93	67.4 Å²	67.4	44%	0.435	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.7	174.6	-71	-179.6	12.9	0	0	113.8	E117 L118 I119 K126	E117-Q121 WeakPolarHBondContact O-CG 3.41Å; E117-Q121 PolarHBondContact O-N 3.32Å; E117-Q121 PolarHBondContact OE1-NE2 3.4Å; L118-Q121 PolarHBondContact O-N 2.89Å; I119-Q121 VanDerWaalsContact C-N 3.25Å; I119-Q121 PolarHBondContact O-N 3.46Å; Q121-K126 WeakPolarHBondContact O-CD 3.31Å; Q121-K126 WeakPolarHBondContact O-CE 3.23Å; Q121-K126 PolarHBondContact O-NZ 3.09Å
122	S	66.3	Low	65.5	Low	14 Å²	14	71.8 Å²	71.8	10%	0.098	39%	0.391	C	S	.	.	S	Bend	trans	-60.1	145.5	-179.3	73.9	0	0	0	0	111.2	L118 I119 N120 A124 E125 K126	L118-S122 PolarHBondContact O-N 2.9Å; I119-S122 WeakPolarHBondContact O-CB 3.39Å; I119-S122 PolarHBondContact O-N 3.37Å; I119-S122 VanDerWaalsContact O-N 3.08Å; I119-S122 PolarHBondContact O-OG 3.38Å; N120-S122 VanDerWaalsContact C-N 3.29Å; S122-A124 PolarHBondContact O-N 3.43Å; S122-A124 VanDerWaalsContact O-N 3.13Å; S122-E125 PolarHBondContact O-N 3.43Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 PolarHBondContact OG-N 3.25Å; S122-K126 PolarHBondContact O-N 2.86Å
123	P	64	Low	63.5	Low	90 Å²	90	73.2 Å²	73.2	58%	0.584	41%	0.41	S	S	*	.	H	α-helix	trans	-55.9	-31.8	178.4	-27.6	34.9	0	0	0	113.8	A127	P123-A127 VanDerWaalsContact O-CB 3.26Å; P123-A127 WeakPolarHBondContact O-CB 3.43Å; P123-A127 PolarHBondContact O-N 3.23Å
124	A	59.7	Low	61.7	Low	25 Å²	25	73.2 Å²	73.2	21%	0.207	40%	0.404	C	S	.	.	H	α-helix	trans	-67.1	-45.7	178.3	0	0	0	0	0	111.8	K101 S122 A127 I128	K101-A124 HydrophobicContact CB-CB 4.21Å; K101-A124 WeakPolarHBondContact O-CB 3.44Å; S122-A124 PolarHBondContact O-N 3.43Å; S122-A124 VanDerWaalsContact O-N 3.13Å; A124-A127 PolarHBondContact O-N 2.92Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 3.42Å
125	E	58	Low	59.6	Low	48 Å²	48	70.2 Å²	70.2	22%	0.224	40%	0.399	C	S	.	.	H	α-helix	trans	-66.7	-48	172.8	-80.8	-61.9	147.7	0	0	110.8	I119 S122 A127 I128 W129	I119-E125 WeakPolarHBondContact O-CG 3.37Å; S122-E125 PolarHBondContact O-N 3.43Å; S122-E125 VanDerWaalsContact O-N 3.14Å; S122-E125 PolarHBondContact OG-N 3.25Å; E125-A127 PolarHBondContact O-N 3.08Å; E125-A127 VanDerWaalsContact O-N 3.14Å; E125-I128 WeakPolarHBondContact O-CA 3.36Å; E125-I128 WeakPolarHBondContact O-CB 3.19Å; E125-I128 PolarHBondContact O-N 3.47Å; E125-W129 PolarHBondContact O-N 3.03Å; E125-W129 PolarHBondContact OE2-NE1 2.79Å
126	K	59.3	Low	57.6	Low	112 Å²	112	75.2 Å²	75.2	49%	0.487	43%	0.426	S	S	.	.	H	α-helix	trans	-53.2	-39	175.2	-76.1	-178.2	176.2	170.9	0	112.3	Q121 S122 W129 Q130	Q121-K126 WeakPolarHBondContact O-CD 3.31Å; Q121-K126 WeakPolarHBondContact O-CE 3.23Å; Q121-K126 PolarHBondContact O-NZ 3.09Å; S122-K126 PolarHBondContact O-N 2.86Å; K126-W129 CarbonylContact O-C 3.57Å; K126-W129 PolarHBondContact O-N 2.81Å; K126-Q130 WeakPolarHBondContact O-CA 3.28Å; K126-Q130 WeakPolarHBondContact O-CB 3.22Å; K126-Q130 VanDerWaalsContact O-CG 3.24Å; K126-Q130 WeakPolarHBondContact O-CG 3.29Å; K126-Q130 PolarHBondContact O-N 2.83Å
127	A	57	Low	55.2	Low	60 Å²	60	78 Å²	78	50%	0.496	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-32.7	176.8	0	0	0	0	0	113.3	P123 A124 E125 W129	P123-A127 VanDerWaalsContact O-CB 3.26Å; P123-A127 WeakPolarHBondContact O-CB 3.43Å; P123-A127 PolarHBondContact O-N 3.23Å; A124-A127 PolarHBondContact O-N 2.92Å; E125-A127 PolarHBondContact O-N 3.08Å; E125-A127 VanDerWaalsContact O-N 3.14Å; A127-W129 PolarHBondContact O-N 2.81Å
128	I	50	Low	53.2	Low	64 Å²	64	74.2 Å²	74.2	33%	0.328	42%	0.424	S	S	.	.	H	α-helix	trans	-65.4	-34.4	172.1	-66.8	166	0	0	0	110.4	A124 E125	A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 3.42Å; E125-I128 WeakPolarHBondContact O-CA 3.36Å; E125-I128 WeakPolarHBondContact O-CB 3.19Å; E125-I128 PolarHBondContact O-N 3.47Å
129	W	45.7	Very low	51	Low	50 Å²	50	79.6 Å²	79.6	19%	0.189	45%	0.451	C	S	.	.	H	α-helix	trans	-99.8	-3.5	-176.5	-62.3	109.9	0	0	0	115.1	E125 K126 A127 G131 K132 L134 P135 Y161	E125-W129 PolarHBondContact O-N 3.03Å; E125-W129 PolarHBondContact OE2-NE1 2.79Å; K126-W129 CarbonylContact O-C 3.57Å; K126-W129 PolarHBondContact O-N 2.81Å; A127-W129 PolarHBondContact O-N 2.81Å; W129-G131 PolarHBondContact O-N 3.13Å; W129-K132 HydrophobicContact CE3-CB 4.07Å; W129-K132 CarbonylContact O-C 3.54Å; W129-K132 PolarHBondContact O-N 2.8Å; W129-L134 HydrophobicContact CB-CD2 4.41Å; W129-L134 HydrophobicContact CD2-CD2 3.87Å; W129-L134 HydrophobicContact CE3-CD2 4.31Å; W129-L134 HydrophobicContact CG-CD2 3.86Å; W129-P135 HydrophobicContact CH2-CG 3.38Å; W129-P135 HydrophobicContact CZ3-CG 3.5Å; W129-P135 VanDerWaalsContact CZ3-CG 3.5Å; W129-Y161 WeakPolarHBondContact CH2-OH 3.12Å
130	Q	46.7	Very low	48.7	Very low	153 Å²	153	81.1 Å²	81.1	72%	0.715	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	112.2	-177.9	-101.3	172	12.1	0	0	109.4	K126 K132	K126-Q130 WeakPolarHBondContact O-CA 3.28Å; K126-Q130 WeakPolarHBondContact O-CB 3.22Å; K126-Q130 VanDerWaalsContact O-CG 3.24Å; K126-Q130 WeakPolarHBondContact O-CG 3.29Å; K126-Q130 PolarHBondContact O-N 2.83Å; Q130-K132 VanDerWaalsContact C-N 3.3Å
131	G	51	Low	46.8	Very low	90 Å²	90	85.4 Å²	85.4	93%	0.928	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	0.1	-175.7	0	0	0	0	0	115.1	W129	W129-G131 PolarHBondContact O-N 3.13Å
132	K	37.6	Very low	45.3	Very low	138 Å²	138	83.9 Å²	83.9	60%	0.6	49%	0.494	S	S	*	.	S	Bend	trans	-106.4	123.5	168.9	-63.2	179.6	-174.2	168.9	0	107.5	W129 Q130 L134	W129-K132 HydrophobicContact CE3-CB 4.07Å; W129-K132 CarbonylContact O-C 3.54Å; W129-K132 PolarHBondContact O-N 2.8Å; Q130-K132 VanDerWaalsContact C-N 3.3Å; K132-L134 PolarHBondContact O-N 3.36Å
133	A	40.6	Very low	43.6	Very low	84 Å²	84	89.1 Å²	89.1	69%	0.694	52%	0.521	S	S	*	.			trans	-51.4	130.7	167.1	0	0	0	0	0	108
134	L	39.2	Very low	42.1	Very low	104 Å²	104	90.1 Å²	90.1	55%	0.545	53%	0.526	S	S	.	.			trans	-49.4	128.1	162.5	-73.7	165.2	0	0	0	105.5	W129 K132 N136	W129-L134 HydrophobicContact CB-CD2 4.41Å; W129-L134 HydrophobicContact CD2-CD2 3.87Å; W129-L134 HydrophobicContact CE3-CD2 4.31Å; W129-L134 HydrophobicContact CG-CD2 3.86Å; K132-L134 PolarHBondContact O-N 3.36Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 3.23Å
135	P	37.4	Very low	40.7	Very low	53 Å²	53	95.4 Å²	95.4	34%	0.344	55%	0.546	S	S	.	.			trans	-71.6	99.9	-169.4	-4.3	21.2	0	0	0	106.8	W129 M137	W129-P135 HydrophobicContact CH2-CG 3.38Å; W129-P135 HydrophobicContact CZ3-CG 3.5Å; W129-P135 VanDerWaalsContact CZ3-CG 3.5Å; P135-M137 PolarHBondContact O-N 3.13Å
136	N	38.3	Very low	39.9	Very low	105 Å²	105	97.9 Å²	97.9	56%	0.561	56%	0.561	S	S	*	*			trans	-77.5	18.4	161.8	-71.1	6.5	0	0	0	110.4	L134 F147	L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 3.23Å; N136-F147 WeakPolarHBondContact O-CB 3.3Å; N136-F147 PolarHBondContact O-N 2.83Å
137	M	29.4	Very low	38.9	Very low	122 Å²	122	97.5 Å²	97.5	60%	0.601	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.4	122.7	-170.5	-61.1	-176.9	-64.9	0	0	109.5	P135	P135-M137 PolarHBondContact O-N 3.13Å
138	A	34.8	Very low	38.2	Very low	16 Å²	16	101.1 Å²	101.1	13%	0.132	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.8	137.9	167	0	0	0	0	0	108.2	V140	A138-V140 HydrophobicContact CB-CG2 4.42Å; A138-V140 PolarHBondContact O-N 2.79Å
139	I	33.3	Very low	37.7	Very low	142 Å²	142	103.4 Å²	103.4	73%	0.728	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.9	111.5	172.2	-60.6	173.5	0	0	0	106.9
140	V	31.5	Very low	37.4	Very low	63 Å²	63	102.8 Å²	102.8	38%	0.382	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	114.4	176.3	-176.7	0	0	0	0	107.4	A138 G142 D143	A138-V140 HydrophobicContact CB-CG2 4.42Å; A138-V140 PolarHBondContact O-N 2.79Å; V140-G142 PolarHBondContact O-N 2.88Å; V140-D143 PolarHBondContact N-O 3.43Å; V140-D143 PolarHBondContact O-N 2.79Å
141	N	32.2	Very low	36.7	Very low	167 Å²	167	105.8 Å²	105.8	89%	0.893	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.7	32.6	178.3	-68.4	-24.4	0	0	0	116.4
142	G	40.2	Very low	35.9	Very low	62 Å²	62	108.3 Å²	108.3	64%	0.639	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.9	-7.8	171.7	0	0	0	0	0	115	V140	V140-G142 PolarHBondContact O-N 2.88Å
143	D	29.6	Very low	35.6	Very low	124 Å²	124	108.4 Å²	108.4	66%	0.663	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.2	148.9	175.9	-66	-40.2	0	0	0	111.4	V140	V140-D143 PolarHBondContact N-O 3.43Å; V140-D143 PolarHBondContact O-N 2.79Å
144	T	31.8	Very low	35.3	Very low	111 Å²	111	112.8 Å²	112.8	68%	0.681	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.9	117.5	-177.2	42.5	0	0	0	0	110.8
145	E	31.8	Very low	35.2	Very low	135 Å²	135	111 Å²	111	63%	0.631	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.6	160	172.3	-74.3	-162	176.1	0	0	113.4
146	D	41	Very low	35.4	Very low	101 Å²	101	115 Å²	115	54%	0.54	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	148.6	-170.5	-157.1	-7.9	0	0	0	113.7	D148 N149	D146-D148 PolarHBondContact O-N 3.09Å; D146-N149 PolarHBondContact O-N 3.48Å
147	F	37.8	Very low	35.8	Very low	103 Å²	103	113.9 Å²	113.9	45%	0.452	62%	0.617	S	S	.	*	H	α-helix	trans	-68.5	-31.1	-161.5	-138.9	-93.5	0	0	0	115.1	N136 N149 A150	N136-F147 WeakPolarHBondContact O-CB 3.3Å; N136-F147 PolarHBondContact O-N 2.83Å; F147-N149 PolarHBondContact O-N 2.69Å; F147-A150 WeakPolarHBondContact O-CB 3.32Å; F147-A150 PolarHBondContact O-N 3.13Å; F147-A150 VanDerWaalsContact O-N 3.1Å
148	D	42.4	Very low	36.5	Very low	137 Å²	137	109.7 Å²	109.7	73%	0.733	60%	0.601	S	S	*	*	H	α-helix	trans	-65.3	-28.5	-178.7	-81.2	-26.9	0	0	0	111.9	D146	D146-D148 PolarHBondContact O-N 3.09Å
149	N	40	Very low	36.8	Very low	111 Å²	111	115.7 Å²	115.7	59%	0.594	62%	0.624	S	S	*	*	H	α-helix	trans	-79.7	-27.4	174.8	-67.9	-23.3	0	0	0	112.6	D146 F147 R151 N152	D146-N149 PolarHBondContact O-N 3.48Å; F147-N149 PolarHBondContact O-N 2.69Å; N149-R151 PolarHBondContact O-N 2.94Å; N149-N152 PolarHBondContact O-N 3.49Å
150	A	38.1	Very low	37.4	Very low	37 Å²	37	116 Å²	116	31%	0.306	62%	0.621	S	S	.	*	H	α-helix	trans	-69.6	-16.2	-177.8	0	0	0	0	0	113.6	F147 N152	F147-A150 WeakPolarHBondContact O-CB 3.32Å; F147-A150 PolarHBondContact O-N 3.13Å; F147-A150 VanDerWaalsContact O-N 3.1Å; A150-N152 PolarHBondContact O-N 3.29Å; A150-N152 VanDerWaalsContact O-N 3.09Å
151	R	32.9	Very low	38.1	Very low	216 Å²	216	117.1 Å²	117.1	82%	0.815	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-20.6	176.8	-116.9	178.9	168.5	162.9	-2.6	113.5	N149	N149-R151 PolarHBondContact O-N 2.94Å
152	N	34.9	Very low	38.7	Very low	144 Å²	144	114.9 Å²	114.9	77%	0.77	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	2	-170.7	-83.9	-17.2	0	0	0	116.8	N149 A150	N149-N152 PolarHBondContact O-N 3.49Å; A150-N152 PolarHBondContact O-N 3.29Å; A150-N152 VanDerWaalsContact O-N 3.09Å
153	L	31.1	Very low	38.8	Very low	140 Å²	140	116.5 Å²	116.5	73%	0.733	59%	0.589	S	S	*	*	S	Bend	trans	-135.9	118.5	-174.3	-67.5	170.1	0	0	0	114.6	G155	L153-G155 PolarHBondContact O-N 3.38Å
154	N	33.1	Very low	39.4	Very low	176 Å²	176	115.1 Å²	115.1	94%	0.941	59%	0.589	S	S	*	*	S	Bend	trans	-39.6	105.4	177	-63.8	-39.8	0	0	0	114.9
155	G	38.4	Very low	39.9	Very low	65 Å²	65	113.7 Å²	113.7	67%	0.67	58%	0.577	S	S	*	*			trans	172.3	-8.6	169.1	0	0	0	0	0	118.9	L153 D157	L153-G155 PolarHBondContact O-N 3.38Å; G155-D157 PolarHBondContact O-N 3.22Å
156	F	39.7	Very low	40	Very low	138 Å²	138	110.8 Å²	110.8	61%	0.605	58%	0.583	S	S	*	*			trans	-71	112.3	179.3	-178.2	-110.3	0	0	0	112.3	A158	F156-A158 HydrophobicContact CD1-CB 3.93Å; F156-A158 HydrophobicContact CE1-CB 3.36Å; F156-A158 HydrophobicContact CZ-CB 4.05Å; F156-A158 PolarHBondContact O-N 3.1Å
157	D	47.5	Very low	39.8	Very low	82 Å²	82	109.3 Å²	109.3	44%	0.439	57%	0.572	S	S	.	*			trans	-97.7	78.7	172.2	-173	3.9	0	0	0	110.8	G155 K159 K160	G155-D157 PolarHBondContact O-N 3.22Å; D157-K159 PolarHBondContact O-N 2.89Å; D157-K159 WeakPolarHBondContact OD1-CB 3.21Å; D157-K159 PolarHBondContact OD1-N 3.19Å; D157-K160 PolarHBondContact O-N 3.39Å; D157-K160 VanDerWaalsContact O-N 3.1Å
158	A	44.8	Very low	40.2	Very low	34 Å²	34	108.3 Å²	108.3	28%	0.281	57%	0.574	S	S	.	*	H	α-helix	trans	-45.8	-31.5	177	0	0	0	0	0	113.2	F156 K160 Y161 Y162	F156-A158 HydrophobicContact CD1-CB 3.93Å; F156-A158 HydrophobicContact CE1-CB 3.36Å; F156-A158 HydrophobicContact CZ-CB 4.05Å; F156-A158 PolarHBondContact O-N 3.1Å; A158-K160 PolarHBondContact O-N 3.07Å; A158-Y161 PolarHBondContact O-N 3.26Å; A158-Y162 HydrophobicContact CB-CD2 4.35Å; A158-Y162 HydrophobicContact CB-CE2 4.07Å; A158-Y162 WeakPolarHBondContact O-CD2 3.46Å; A158-Y162 PolarHBondContact O-N 2.88Å; A158-Y162 VanDerWaalsContact O-N 3.13Å
159	K	41.5	Very low	40.2	Very low	142 Å²	142	109.9 Å²	109.9	62%	0.617	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-41.3	-176.5	-168.4	-177.2	173.3	-171.4	0	112.6	D157 Q163	D157-K159 PolarHBondContact O-N 2.89Å; D157-K159 WeakPolarHBondContact OD1-CB 3.21Å; D157-K159 PolarHBondContact OD1-N 3.19Å; K159-Q163 WeakPolarHBondContact O-CB 2.99Å; K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 2.92Å
160	K	45.1	Very low	40.4	Very low	149 Å²	149	108.3 Å²	108.3	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-68.6	-38.2	178.9	-83.1	-177.7	179.7	175.3	0	111.9	D157 A158 Q163 S164	D157-K160 PolarHBondContact O-N 3.39Å; D157-K160 VanDerWaalsContact O-N 3.1Å; A158-K160 PolarHBondContact O-N 3.07Å; K160-Q163 PolarHBondContact O-N 3.12Å; K160-S164 PolarHBondContact O-N 2.8Å
161	Y	45.1	Very low	41.1	Very low	85 Å²	85	109.5 Å²	109.5	33%	0.333	57%	0.572	S	S	.	*	H	α-helix	trans	-64	-45.5	178.2	178.2	-100.9	0	0	0	111.9	W129 A158 Q163 S164 L165	W129-Y161 WeakPolarHBondContact CH2-OH 3.12Å; A158-Y161 PolarHBondContact O-N 3.26Å; Y161-Q163 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.17Å; Y161-S164 PolarHBondContact O-N 3.29Å; Y161-S164 PolarHBondContact O-OG 3.23Å; Y161-L165 HydrophobicContact CE1-CD1 3.98Å
162	Y	45.6	Very low	42.5	Very low	121 Å²	121	102 Å²	102	48%	0.475	55%	0.547	S	S	.	.	H	α-helix	trans	-71.9	-26.7	178.4	-66.4	-58.5	0	0	0	113.8	A158 L165	A158-Y162 HydrophobicContact CB-CD2 4.35Å; A158-Y162 HydrophobicContact CB-CE2 4.07Å; A158-Y162 WeakPolarHBondContact O-CD2 3.46Å; A158-Y162 PolarHBondContact O-N 2.88Å; A158-Y162 VanDerWaalsContact O-N 3.13Å; Y162-L165 PolarHBondContact O-N 2.87Å
163	Q	42.6	Very low	44.3	Very low	96 Å²	96	95.6 Å²	95.6	45%	0.449	51%	0.514	S	S	.	.	H	α-helix	trans	-66.8	-34.4	176.1	-79.5	174	-12.2	0	0	113.4	K159 K160 Y161 L165	K159-Q163 WeakPolarHBondContact O-CB 2.99Å; K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 2.92Å; K160-Q163 PolarHBondContact O-N 3.12Å; Y161-Q163 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.17Å; Q163-L165 VanDerWaalsContact C-N 3.26Å; Q163-L165 PolarHBondContact O-N 2.76Å
164	S	42.6	Very low	46.7	Very low	94 Å²	94	95.2 Å²	95.2	66%	0.657	51%	0.506	S	S	*	.	H	α-helix	trans	-72.4	-20.4	179.9	69	0	0	0	0	113.1	K160 Y161 G166	K160-S164 PolarHBondContact O-N 2.8Å; Y161-S164 PolarHBondContact O-N 3.29Å; Y161-S164 PolarHBondContact O-OG 3.23Å; S164-G166 VanDerWaalsContact C-N 3.26Å; S164-G166 PolarHBondContact O-N 3.42Å
165	L	42	Very low	49.4	Very low	82 Å²	82	86.9 Å²	86.9	43%	0.429	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	11.5	-179.8	-64.7	173.4	0	0	0	113.7	Y161 Y162 Q163 F167	Y161-L165 HydrophobicContact CE1-CD1 3.98Å; Y162-L165 PolarHBondContact O-N 2.87Å; Q163-L165 VanDerWaalsContact C-N 3.26Å; Q163-L165 PolarHBondContact O-N 2.76Å; L165-F167 HydrophobicContact CB-CD2 3.82Å; L165-F167 HydrophobicContact CB-CE2 4.34Å; L165-F167 VanDerWaalsContact O-CD2 3.31Å; L165-F167 WeakPolarHBondContact O-CD2 3.39Å; L165-F167 PolarHBondContact O-N 2.93Å; L165-F167 VanDerWaalsContact O-N 3.13Å
166	G	34.5	Very low	52	Low	73 Å²	73	85 Å²	85	75%	0.753	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	1.6	178.1	0	0	0	0	0	114.5	S164	S164-G166 VanDerWaalsContact C-N 3.26Å; S164-G166 PolarHBondContact O-N 3.42Å
167	F	36	Very low	54.8	Low	70 Å²	70	78.4 Å²	78.4	31%	0.307	41%	0.406	S	S	.	.			trans	-79.5	135.9	168.8	-68	-86.2	0	0	0	108.5	H104 L165	H104-F167 AromaticContact CE1-CD1 3.95Å; H104-F167 AromaticContact CE1-CE1 3.64Å; H104-F167 AromaticContact ND1-CD1 3.83Å; H104-F167 AromaticContact ND1-CE1 3.85Å; L165-F167 HydrophobicContact CB-CD2 3.82Å; L165-F167 HydrophobicContact CB-CE2 4.34Å; L165-F167 VanDerWaalsContact O-CD2 3.31Å; L165-F167 WeakPolarHBondContact O-CD2 3.39Å; L165-F167 PolarHBondContact O-N 2.93Å; L165-F167 VanDerWaalsContact O-N 3.13Å
168	T	46.4	Very low	57.1	Low	82 Å²	82	74.5 Å²	74.5	50%	0.503	39%	0.385	S	S	.	.			trans	86.9	72.2	177.1	80.7	0	0	0	0	116.5	V170	T168-V170 HydrophobicContact CG2-CG2 4.36Å; T168-V170 PolarHBondContact O-N 2.94Å
169	Q	42.8	Very low	59.6	Low	171 Å²	171	72.9 Å²	72.9	80%	0.799	37%	0.372	S	S	*	.				-63.3	86.5	123.7	-80.4	-163.5	22.8	0	0	105.8	L171	Q169-L171 PolarHBondContact O-N 3.29Å
170	V	44.1	Very low	62.1	Low	77 Å²	77	66.3 Å²	66.3	47%	0.467	34%	0.344	S	S	.	.			trans	-50.9	111.8	172.8	177.4	0	0	0	0	104.7	T168 Q172	T168-V170 HydrophobicContact CG2-CG2 4.36Å; T168-V170 PolarHBondContact O-N 2.94Å; V170-Q172 HydrophobicContact CB-CG 4.49Å; V170-Q172 HydrophobicContact CG1-CG 4.18Å; V170-Q172 PolarHBondContact O-N 2.76Å
171	L	52	Low	64.2	Low	63 Å²	63	61.1 Å²	61.1	33%	0.33	32%	0.323	S	S	.	.			trans	-61.6	97.3	166.5	-161	90.2	0	0	0	103.5	A2 Q169 A173 F194	A2-L171 HydrophobicContact CB-CD1 3.78Å; A2-L171 HydrophobicContact CB-CD2 3.46Å; A2-L171 VanDerWaalsContact CB-CD2 3.46Å; A2-L171 HydrophobicContact CB-CG 4.27Å; Q169-L171 PolarHBondContact O-N 3.29Å; L171-A173 PolarHBondContact O-N 3.18Å; L171-F194 HydrophobicContact CD1-CD1 4.5Å; L171-F194 HydrophobicContact CD2-CD1 3.75Å; L171-F194 HydrophobicContact CD2-CE1 3.46Å; L171-F194 VanDerWaalsContact CD2-CE1 3.46Å; L171-F194 HydrophobicContact CG-CD1 3.88Å; L171-F194 HydrophobicContact CG-CE1 4.08Å
172	Q	62.5	Low	66.3	Low	59 Å²	59	57.3 Å²	57.3	28%	0.276	31%	0.309	S	S	.	.			trans	-71.4	75	179.9	-76.6	178.4	-14.5	0	0	106.7	V170 K174 P193 F194	V170-Q172 HydrophobicContact CB-CG 4.49Å; V170-Q172 HydrophobicContact CG1-CG 4.18Å; V170-Q172 PolarHBondContact O-N 2.76Å; Q172-K174 PolarHBondContact O-N 2.65Å; Q172-P193 WeakPolarHBondContact O-CA 3.19Å; Q172-F194 PolarHBondContact O-N 2.95Å
173	A	72	Confident	68.4	Low	9 Å²	9	52.6 Å²	52.6	7%	0.074	30%	0.297	C	S	.	.			trans	-73.3	-4.9	172.9	0	0	0	0	0	110.3	L171 F194 A424 I425	L171-A173 PolarHBondContact O-N 3.18Å; A173-F194 HydrophobicContact CB-CD1 4.42Å; A173-F194 HydrophobicContact CB-CE1 3.63Å; A173-F194 HydrophobicContact CB-CZ 4.03Å; A173-A424 VanDerWaalsContact O-CB 3.23Å; A173-A424 WeakPolarHBondContact O-CB 3.48Å; A173-A424 PolarHBondContact O-N 3.47Å; A173-I425 HydrophobicContact CB-CD1 3.71Å; A173-I425 HydrophobicContact CB-CG1 3.8Å
174	K	81.6	Confident	70.7	Confident	132 Å²	132	49 Å²	49	57%	0.574	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.7	167.9	-65.4	-172.5	178.9	-173.7	0	110.1	Q172 W422	Q172-K174 PolarHBondContact O-N 2.65Å; K174-W422 CarbonylContact C-O 3.57Å; K174-W422 WeakPolarHBondContact CA-O 3.4Å
175	G	90.5	Very high	73.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	162.7	164.7	0	0	0	0	0	110.4	K191 H421 W422	G175-K191 CarbonylContact C-O 3.48Å; G175-K191 WeakPolarHBondContact CA-O 3.43Å; G175-H421 WeakPolarHBondContact O-CA 3.34Å; G175-H421 WeakPolarHBondContact O-CB 3.42Å; G175-W422 PolarHBondContact N-O 3.09Å; G175-W422 PolarHBondContact O-N 3.11Å
176	M	93.9	Very high	75.8	Confident	25 Å²	25	40.7 Å²	40.7	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.5	173.9	61.4	-176.7	64.2	0	0	112.7	F189 I190 K191 F230 L234 Y420 H421 W422	M176-F189 HydrophobicContact SD-CD1 4.5Å; M176-I190 WeakPolarHBondContact O-CA 3.19Å; M176-K191 HydrophobicContact CG-CB 3.97Å; M176-K191 PolarHBondContact N-O 2.95Å; M176-K191 PolarHBondContact O-N 2.95Å; M176-F230 HydrophobicContact SD-CE2 4.46Å; M176-F230 HydrophobicContact SD-CZ 3.97Å; M176-L234 HydrophobicContact CE-CD1 4.25Å; M176-L234 HydrophobicContact CE-CD2 3.79Å; M176-L234 HydrophobicContact SD-CD1 3.57Å; M176-L234 VanDerWaalsContact SD-CD1 3.57Å; M176-L234 HydrophobicContact SD-CD2 4.19Å; M176-Y420 CarbonylContact C-O 3.36Å; M176-Y420 VanDerWaalsContact CA-O 3.22Å; M176-Y420 WeakPolarHBondContact CA-O 3.4Å; M176-H421 HydrophobicContact CB-CB 4.24Å; M176-W422 VanDerWaalsContact CA-CZ3 3.41Å
177	V	97.9	Very high	78.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.1	160.2	178.9	0	0	0	0	105.4	F179 I188 F189 I190 F324 I326 F331 Y419 Y420 W422	V177-F179 HydrophobicContact CG1-CE2 3.93Å; V177-I188 HydrophobicContact CG1-CG2 4.21Å; V177-F189 WeakPolarHBondContact CA-O 3.32Å; V177-I190 HydrophobicContact CG1-CG1 4.27Å; V177-I190 HydrophobicContact CG2-CG1 4.39Å; V177-I190 HydrophobicContact CG2-CG2 4.08Å; V177-F324 HydrophobicContact CG1-CZ 4.36Å; V177-F324 HydrophobicContact CG2-CE2 4.03Å; V177-F324 HydrophobicContact CG2-CZ 4.41Å; V177-I326 HydrophobicContact CG2-CD1 4.06Å; V177-F331 HydrophobicContact CB-CE1 3.99Å; V177-F331 HydrophobicContact CB-CZ 4.15Å; V177-F331 HydrophobicContact CG1-CD1 3.99Å; V177-F331 HydrophobicContact CG1-CE1 3.81Å; V177-F331 HydrophobicContact CG1-CZ 4.43Å; V177-F331 HydrophobicContact CG2-CE1 4.18Å; V177-F331 HydrophobicContact CG2-CE2 4.22Å; V177-F331 HydrophobicContact CG2-CZ 3.98Å; V177-Y419 CarbonylContact O-C 3.57Å; V177-Y419 VanDerWaalsContact O-CA 3.26Å; V177-Y419 WeakPolarHBondContact O-CA 3.37Å; V177-Y419 WeakPolarHBondContact O-CB 3.25Å; V177-Y420 PolarHBondContact N-O 3.16Å; V177-Y420 PolarHBondContact O-N 3.44Å; V177-W422 HydrophobicContact CG2-CZ3 4.23Å
178	A	95.8	Very high	81.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	-172.5	0	0	0	0	0	110.9	I188 F189 F230 M417	A178-I188 CarbonylContact O-C 3.58Å; A178-I188 VanDerWaalsContact O-CA 3.26Å; A178-I188 WeakPolarHBondContact O-CA 3.12Å; A178-F189 PolarHBondContact N-O 2.68Å; A178-F189 PolarHBondContact O-N 2.97Å; A178-F230 HydrophobicContact CB-CE1 4.23Å; A178-F230 HydrophobicContact CB-CZ 3.85Å; A178-M417 HydrophobicContact CB-SD 4.17Å
179	F	97.5	Very high	84.3	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	96.5	170.3	-62.7	-105.3	0	0	0	106.3	V177 I188 L333 K358 I382 M417 I418	V177-F179 HydrophobicContact CG1-CE2 3.93Å; F179-I188 HydrophobicContact CD1-CD1 3.83Å; F179-I188 HydrophobicContact CD1-CG1 3.72Å; F179-I188 HydrophobicContact CD1-CG2 4.45Å; F179-I188 HydrophobicContact CE1-CD1 3.63Å; F179-I188 HydrophobicContact CE1-CG1 3.99Å; F179-I188 HydrophobicContact CE1-CG2 4.35Å; F179-I188 HydrophobicContact CG-CG1 4.39Å; F179-I188 HydrophobicContact CZ-CG2 4.41Å; F179-L333 HydrophobicContact CE1-CD2 3.95Å; F179-L333 HydrophobicContact CZ-CD2 3.74Å; F179-K358 HydrophobicContact CE1-CB 3.97Å; F179-K358 HydrophobicContact CE1-CG 4.15Å; F179-I382 HydrophobicContact CB-CG2 3.9Å; F179-I382 HydrophobicContact CD1-CB 4.17Å; F179-I382 HydrophobicContact CD1-CG2 3.56Å; F179-I382 HydrophobicContact CD2-CD1 3.5Å; F179-I382 VanDerWaalsContact CD2-CD1 3.5Å; F179-I382 HydrophobicContact CD2-CG2 4.06Å; F179-I382 HydrophobicContact CE1-CB 4.13Å; F179-I382 HydrophobicContact CE1-CD1 4.29Å; F179-I382 HydrophobicContact CE1-CG2 4.05Å; F179-I382 HydrophobicContact CE2-CD1 3.24Å; F179-I382 HydrophobicContact CE2-CG1 4.45Å; F179-I382 HydrophobicContact CG-CB 4.39Å; F179-I382 HydrophobicContact CG-CD1 4.16Å; F179-I382 HydrophobicContact CG-CG2 3.57Å; F179-I382 HydrophobicContact CZ-CB 4.34Å; F179-I382 HydrophobicContact CZ-CD1 3.68Å; F179-M417 WeakPolarHBondContact O-CA 3.38Å; F179-M417 WeakPolarHBondContact O-CG 3.14Å; F179-I418 WeakPolarHBondContact CB-O 3.38Å; F179-I418 PolarHBondContact N-O 3.14Å; F179-I418 PolarHBondContact O-N 3.22Å
180	V	93.1	Very high	86.9	Confident	3 Å²	3	22 Å²	22	2%	0.018	12%	0.117	C	C	.	.			trans	-74.5	131.2	-173.3	-174.6	0	0	0	0	108.4	V182 S187 F189 N226 L227 F230 M417	V180-V182 HydrophobicContact CB-CG1 4.38Å; V180-V182 HydrophobicContact CG1-CG1 4.09Å; V180-V182 PolarHBondContact O-N 3.1Å; V180-S187 WeakPolarHBondContact CB-O 3.03Å; V180-S187 PolarHBondContact N-O 3.35Å; V180-F189 HydrophobicContact CG2-CB 4.46Å; V180-N226 HydrophobicContact CG1-CB 4.46Å; V180-L227 HydrophobicContact CG1-CB 4.47Å; V180-L227 HydrophobicContact CG1-CD1 4.45Å; V180-L227 HydrophobicContact CG2-CD1 4.26Å; V180-F230 HydrophobicContact CG2-CD1 3.83Å; V180-F230 HydrophobicContact CG2-CE1 3.81Å; V180-M417 HydrophobicContact CG2-SD 4.41Å
181	D	89.8	Confident	89.2	Confident	40 Å²	40	19 Å²	19	21%	0.214	10%	0.098	C	C	.	.			trans	-68.4	104.4	170.8	176.1	13.7	0	0	0	109.2	G183 N226	D181-G183 PolarHBondContact OD1-N 3.13Å; D181-N226 WeakPolarHBondContact O-CB 3.27Å; D181-N226 PolarHBondContact O-ND2 3.01Å
182	V	89.8	Confident	91.1	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.03	9%	0.085	C	C	.	.			trans	-112.4	20.7	174.1	-65.4	0	0	0	0	110.8	V180 L222 L227	V180-V182 HydrophobicContact CB-CG1 4.38Å; V180-V182 HydrophobicContact CG1-CG1 4.09Å; V180-V182 PolarHBondContact O-N 3.1Å; V182-L222 WeakPolarHBondContact O-CD2 3.46Å; V182-L227 HydrophobicContact CG1-CB 4.4Å
183	G	89.3	Confident	92	Very high	22 Å²	22	14.1 Å²	14.1	23%	0.227	8%	0.075	C	C	.	.	S	Bend	trans	76.8	-135.3	-171.6	0	0	0	0	0	112.2	D181 G185 A385 G386	D181-G183 PolarHBondContact OD1-N 3.13Å; G183-G185 PolarHBondContact O-N 3.47Å; G183-A385 CarbonylContact O-C 3.56Å; G183-G386 WeakPolarHBondContact O-CA 3.47Å; G183-G386 PolarHBondContact O-N 2.89Å
184	Q	91	Very high	92.2	Very high	22 Å²	22	17.9 Å²	17.9	10%	0.103	9%	0.09	C	C	.	.	S	Bend	trans	-79.3	110.1	172.9	-174.1	68	10	0	0	108.1	L207 D250 N389 Y391	Q184-L207 HydrophobicContact CG-CD1 4.19Å; Q184-D250 WeakPolarHBondContact O-CB 3.3Å; Q184-N389 HydrophobicContact CB-CB 4.29Å; Q184-N389 HydrophobicContact CG-CB 4.28Å; Q184-N389 PolarHBondContact OE1-ND2 3.2Å; Q184-Y391 HydrophobicContact CG-CD2 4.34Å; Q184-Y391 HydrophobicContact CG-CE2 4.28Å
185	G	94.5	Very high	91.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	146.7	176.5	-177.7	0	0	0	0	0	112.8	G183 D250 H362 S384	G183-G185 PolarHBondContact O-N 3.47Å; G185-D250 CarbonylContact C-O 3.43Å; G185-D250 WeakPolarHBondContact CA-O 3.47Å; G185-H362 VanDerWaalsContact CA-CE1 3.4Å; G185-H362 WeakPolarHBondContact CA-CE1 3.48Å; G185-S384 WeakPolarHBondContact O-CB 3.45Å
186	D	97.5	Very high	91.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.104	C	C	.	.			trans	-110.7	139.7	176.5	-87.5	-25.3	0	0	0	112	D202 T203 G204 D250 H251 K358 S384	D186-D202 HydrophobicContact CB-CB 3.9Å; D186-D202 CarbonylContact O-C 3.38Å; D186-D202 WeakPolarHBondContact O-CB 3.22Å; D186-T203 PolarHBondContact O-N 3.44Å; D186-G204 WeakPolarHBondContact O-CA 3.41Å; D186-G204 PolarHBondContact O-N 3.42Å; D186-D250 PolarHBondContact N-O 3.4Å; D186-D250 VanDerWaalsContact N-O 3.13Å; D186-H251 IonicContact OD2-CE1 3.16Å; D186-H251 PolarHBondContact OD2-CE1 3.44Å; D186-H251 VanDerWaalsContact OD2-CE1 3.24Å; D186-H251 IonicContact OD2-ND1 3.64Å; D186-K358 VanDerWaalsContact CG-CE 3.47Å; D186-K358 VanDerWaalsContact OD1-CE 3.27Å; D186-K358 WeakPolarHBondContact OD1-CE 3.42Å; D186-K358 IonicContact OD1-NZ 3.27Å; D186-K358 WeakPolarHBondContact OD2-CE 3.31Å; D186-K358 IonicContact OD2-NZ 3.16Å; D186-K358 PolarHBondContact OD2-NZ 2.82Å; D186-S384 WeakPolarHBondContact OD1-CB 3.25Å; D186-S384 PolarHBondContact OD1-OG 3.43Å
187	S	97.6	Very high	91.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.			trans	-152.4	114.5	157.5	-168.3	0	0	0	0	109.8	V180 L200 D202	V180-S187 WeakPolarHBondContact CB-O 3.03Å; V180-S187 PolarHBondContact N-O 3.35Å; S187-L200 WeakPolarHBondContact OG-CD1 3.36Å; S187-D202 WeakPolarHBondContact CA-O 3.15Å; S187-D202 PolarHBondContact OG-O 3.12Å
188	I	98.6	Very high	91	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	109.9	-171.7	-53.6	168	0	0	0	109	V177 A178 F179 L200 I201 L333 K358	V177-I188 HydrophobicContact CG1-CG2 4.21Å; A178-I188 CarbonylContact O-C 3.58Å; A178-I188 VanDerWaalsContact O-CA 3.26Å; A178-I188 WeakPolarHBondContact O-CA 3.12Å; F179-I188 HydrophobicContact CD1-CD1 3.83Å; F179-I188 HydrophobicContact CD1-CG1 3.72Å; F179-I188 HydrophobicContact CD1-CG2 4.45Å; F179-I188 HydrophobicContact CE1-CD1 3.63Å; F179-I188 HydrophobicContact CE1-CG1 3.99Å; F179-I188 HydrophobicContact CE1-CG2 4.35Å; F179-I188 HydrophobicContact CG-CG1 4.39Å; F179-I188 HydrophobicContact CZ-CG2 4.41Å; I188-L200 WeakPolarHBondContact O-CA 3.31Å; I188-I201 HydrophobicContact CB-CB 4.31Å; I188-I201 PolarHBondContact N-O 3.29Å; I188-I201 PolarHBondContact O-N 3.41Å; I188-L333 HydrophobicContact CD1-CB 4.44Å; I188-L333 HydrophobicContact CD1-CD1 3.86Å; I188-L333 HydrophobicContact CD1-CD2 4.21Å; I188-L333 HydrophobicContact CD1-CG 4.4Å; I188-L333 HydrophobicContact CG2-CD1 4.03Å; I188-K358 HydrophobicContact CD1-CG 4.28Å
189	F	97.9	Very high	91.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.9	-179.4	-178.3	-111.6	0	0	0	111.2	M176 V177 A178 V180 K191 T198 F199 L200 F230 L231 L234 C236	M176-F189 HydrophobicContact SD-CD1 4.5Å; V177-F189 WeakPolarHBondContact CA-O 3.32Å; A178-F189 PolarHBondContact N-O 2.68Å; A178-F189 PolarHBondContact O-N 2.97Å; V180-F189 HydrophobicContact CG2-CB 4.46Å; F189-K191 HydrophobicContact CD1-CB 4.3Å; F189-K191 HydrophobicContact CE1-CB 3.53Å; F189-K191 HydrophobicContact CE1-CD 3.98Å; F189-K191 HydrophobicContact CE1-CG 4.36Å; F189-K191 HydrophobicContact CZ-CB 3.91Å; F189-K191 HydrophobicContact CZ-CD 4.28Å; F189-T198 HydrophobicContact CE2-CG2 4.3Å; F189-T198 HydrophobicContact CZ-CG2 4Å; F189-F199 WeakPolarHBondContact CA-O 3.46Å; F189-F199 WeakPolarHBondContact CD2-O 3.35Å; F189-L200 HydrophobicContact CB-CD1 4.08Å; F189-L200 HydrophobicContact CD2-CD1 4.24Å; F189-F230 HydrophobicContact CB-CE1 3.98Å; F189-F230 AromaticContact CD1-CE1 3.7Å; F189-F230 HydrophobicContact CD1-CE1 3.7Å; F189-F230 HydrophobicContact CD1-CZ 4.08Å; F189-F230 HydrophobicContact CG-CE1 4.08Å; F189-L231 HydrophobicContact CD1-CD2 4.27Å; F189-L231 HydrophobicContact CD2-CD2 3.58Å; F189-L231 HydrophobicContact CE1-CD2 4.19Å; F189-L231 HydrophobicContact CE2-CD2 3.52Å; F189-L231 HydrophobicContact CG-CD2 3.97Å; F189-L231 HydrophobicContact CZ-CD2 3.84Å; F189-L234 HydrophobicContact CD1-CD1 4.02Å; F189-L234 HydrophobicContact CE1-CD1 3.55Å; F189-C236 HydrophobicContact CZ-CB 4.28Å
190	I	97.9	Very high	91.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.1	177.1	-49	165.6	0	0	0	108.8	M176 V177 T198 F199 I201 L302 F324 I326	M176-I190 WeakPolarHBondContact O-CA 3.19Å; V177-I190 HydrophobicContact CG1-CG1 4.27Å; V177-I190 HydrophobicContact CG2-CG1 4.39Å; V177-I190 HydrophobicContact CG2-CG2 4.08Å; I190-T198 WeakPolarHBondContact O-CA 3.14Å; I190-F199 HydrophobicContact CB-CB 4.05Å; I190-F199 HydrophobicContact CB-CD2 4.49Å; I190-F199 HydrophobicContact CD1-CB 4.21Å; I190-F199 HydrophobicContact CG1-CB 4.43Å; I190-F199 PolarHBondContact N-O 2.89Å; I190-F199 PolarHBondContact O-N 3.08Å; I190-I201 HydrophobicContact CD1-CD1 4.12Å; I190-L302 HydrophobicContact CG2-CD2 3.74Å; I190-F324 HydrophobicContact CD1-CD1 4.41Å; I190-F324 HydrophobicContact CD1-CE1 3.6Å; I190-F324 HydrophobicContact CD1-CE2 4.02Å; I190-F324 HydrophobicContact CD1-CZ 3.37Å; I190-F324 HydrophobicContact CG1-CZ 4.2Å; I190-I326 HydrophobicContact CG2-CD1 3.72Å
191	K	92.9	Very high	91.4	Very high	15 Å²	15	21.5 Å²	21.5	7%	0.065	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	100.3	176.3	177.8	175.1	179.5	174.9	0	109.3	G175 M176 F189 T198 L234	G175-K191 CarbonylContact C-O 3.48Å; G175-K191 WeakPolarHBondContact CA-O 3.43Å; M176-K191 HydrophobicContact CG-CB 3.97Å; M176-K191 PolarHBondContact N-O 2.95Å; M176-K191 PolarHBondContact O-N 2.95Å; F189-K191 HydrophobicContact CD1-CB 4.3Å; F189-K191 HydrophobicContact CE1-CB 3.53Å; F189-K191 HydrophobicContact CE1-CD 3.98Å; F189-K191 HydrophobicContact CE1-CG 4.36Å; F189-K191 HydrophobicContact CZ-CB 3.91Å; F189-K191 HydrophobicContact CZ-CD 4.28Å; K191-T198 HydrophobicContact CB-CG2 4.47Å; K191-T198 HydrophobicContact CG-CG2 4.32Å; K191-L234 HydrophobicContact CD-CD1 4.46Å; K191-L234 PolarHBondContact NZ-O 2.98Å
192	P	90.6	Very high	91.8	Very high	10 Å²	10	19.6 Å²	19.6	7%	0.065	10%	0.097	C	C	.	.			trans	-67.3	159.2	171.1	-13.1	27.6	0	0	0	111.1	Q196 E197 L302	P192-Q196 HydrophobicContact CB-CB 4.06Å; P192-Q196 HydrophobicContact CG-CB 4.37Å; P192-E197 WeakPolarHBondContact CD-O 3.31Å; P192-L302 HydrophobicContact CG-CB 4.4Å; P192-L302 HydrophobicContact CG-CD2 4.36Å
193	P	82.8	Confident	92.2	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.058	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	161.4	177.8	-23	31.7	0	0	0	113.7	Q172 K195 Q196 W422 A424	Q172-P193 WeakPolarHBondContact O-CA 3.19Å; P193-K195 PolarHBondContact O-N 3.42Å; P193-Q196 VanDerWaalsContact O-CG 3.26Å; P193-Q196 WeakPolarHBondContact O-CG 3.49Å; P193-Q196 PolarHBondContact O-NE2 3.22Å; P193-W422 HydrophobicContact CG-CZ2 4.18Å; P193-A424 HydrophobicContact CB-CB 3.58Å; P193-A424 HydrophobicContact CG-CB 3.58Å
194	F	75.7	Confident	92.4	Very high	89 Å²	89	18.4 Å²	18.4	39%	0.39	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	35.1	172.3	-46.1	-62.3	0	0	0	114.7	L171 Q172 A173 Q196 A424	L171-F194 HydrophobicContact CD1-CD1 4.5Å; L171-F194 HydrophobicContact CD2-CD1 3.75Å; L171-F194 HydrophobicContact CD2-CE1 3.46Å; L171-F194 VanDerWaalsContact CD2-CE1 3.46Å; L171-F194 HydrophobicContact CG-CD1 3.88Å; L171-F194 HydrophobicContact CG-CE1 4.08Å; Q172-F194 PolarHBondContact O-N 2.95Å; A173-F194 HydrophobicContact CB-CD1 4.42Å; A173-F194 HydrophobicContact CB-CE1 3.63Å; A173-F194 HydrophobicContact CB-CZ 4.03Å; F194-Q196 PolarHBondContact O-N 3.16Å; F194-A424 HydrophobicContact CD2-CB 4.43Å; F194-A424 HydrophobicContact CE2-CB 3.48Å; F194-A424 VanDerWaalsContact CE2-CB 3.48Å; F194-A424 HydrophobicContact CZ-CB 3.62Å
195	K	73.1	Confident	92.2	Very high	143 Å²	143	17.5 Å²	17.5	62%	0.622	8%	0.081	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.9	177.6	-59.9	-178.6	178.2	177.6	0	112.7	P193	P193-K195 PolarHBondContact O-N 3.42Å
196	Q	78.1	Confident	91.3	Very high	54 Å²	54	21.3 Å²	21.3	25%	0.252	10%	0.096	S	C	.	.			trans	-71.2	-175.1	170	-70.1	-179.5	63.9	0	0	111.1	P192 P193 F194 T198 K301	P192-Q196 HydrophobicContact CB-CB 4.06Å; P192-Q196 HydrophobicContact CG-CB 4.37Å; P193-Q196 VanDerWaalsContact O-CG 3.26Å; P193-Q196 WeakPolarHBondContact O-CG 3.49Å; P193-Q196 PolarHBondContact O-NE2 3.22Å; F194-Q196 PolarHBondContact O-N 3.16Å; Q196-T198 PolarHBondContact O-N 3.27Å; Q196-K301 HydrophobicContact CB-CD 4.29Å; Q196-K301 HydrophobicContact CG-CD 3.79Å
197	E	91.3	Very high	89.5	Confident	27 Å²	27	23.5 Å²	23.5	13%	0.126	11%	0.107	C	C	.	.			trans	-56	125.9	179.1	-64	171.8	145.8	0	0	110.9	P192 F199 D240 H241 N300 K301	P192-E197 WeakPolarHBondContact CD-O 3.31Å; E197-F199 HydrophobicContact CB-CE2 3.97Å; E197-F199 HydrophobicContact CB-CZ 4.44Å; E197-F199 WeakPolarHBondContact O-CE2 3.4Å; E197-D240 HydrophobicContact CB-CB 4.16Å; E197-D240 HydrophobicContact CG-CB 4.48Å; E197-H241 IonicContact OE1-NE2 3.4Å; E197-H241 IonicContact OE2-NE2 3.18Å; E197-N300 WeakPolarHBondContact OE1-CB 3.34Å; E197-N300 PolarHBondContact OE1-ND2 3.28Å; E197-N300 WeakPolarHBondContact OE2-CA 3.47Å; E197-N300 PolarHBondContact OE2-N 3.44Å; E197-K301 PolarHBondContact OE2-N 2.83Å
198	T	95.4	Very high	87.4	Confident	12 Å²	12	30 Å²	30	7%	0.074	15%	0.147	C	C	.	.			trans	-92.8	143.7	175.5	47.6	0	0	0	0	110.8	F189 I190 K191 Q196 K238 I239 D240 H241	F189-T198 HydrophobicContact CE2-CG2 4.3Å; F189-T198 HydrophobicContact CZ-CG2 4Å; I190-T198 WeakPolarHBondContact O-CA 3.14Å; K191-T198 HydrophobicContact CB-CG2 4.47Å; K191-T198 HydrophobicContact CG-CG2 4.32Å; Q196-T198 PolarHBondContact O-N 3.27Å; T198-K238 PolarHBondContact OG1-O 2.89Å; T198-I239 WeakPolarHBondContact OG1-CA 3.49Å; T198-D240 PolarHBondContact O-N 2.94Å; T198-D240 VanDerWaalsContact O-N 3.14Å; T198-D240 PolarHBondContact OG1-N 3.22Å; T198-H241 PolarHBondContact O-N 2.85Å
199	F	98.6	Very high	85.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.2	177	-55.5	-115.7	0	0	0	109.6	F189 I190 E197 H241 L243 V298 L302 V304	F189-F199 WeakPolarHBondContact CA-O 3.46Å; F189-F199 WeakPolarHBondContact CD2-O 3.35Å; I190-F199 HydrophobicContact CB-CB 4.05Å; I190-F199 HydrophobicContact CB-CD2 4.49Å; I190-F199 HydrophobicContact CD1-CB 4.21Å; I190-F199 HydrophobicContact CG1-CB 4.43Å; I190-F199 PolarHBondContact N-O 2.89Å; I190-F199 PolarHBondContact O-N 3.08Å; E197-F199 HydrophobicContact CB-CE2 3.97Å; E197-F199 HydrophobicContact CB-CZ 4.44Å; E197-F199 WeakPolarHBondContact O-CE2 3.4Å; F199-H241 CarbonylContact C-O 3.6Å; F199-H241 WeakPolarHBondContact CA-O 3.38Å; F199-H241 HydrophobicContact CD1-CB 3.56Å; F199-H241 AromaticContact CD1-CD2 3.96Å; F199-H241 AromaticContact CD1-CG 3.97Å; F199-H241 HydrophobicContact CE1-CB 3.86Å; F199-H241 AromaticContact CE1-CD2 3.53Å; F199-H241 AromaticContact CE1-CG 3.74Å; F199-H241 AromaticContact CE2-CD2 3.91Å; F199-H241 HydrophobicContact CG-CB 4.14Å; F199-H241 AromaticContact CZ-CD2 3.49Å; F199-H241 VanDerWaalsContact CZ-CD2 3.49Å; F199-H241 WeakPolarHBondContact CZ-CD2 3.23Å; F199-L243 HydrophobicContact CD1-CD1 4.13Å; F199-V298 HydrophobicContact CE1-CG1 4.08Å; F199-L302 HydrophobicContact CD2-CD2 3.97Å; F199-L302 HydrophobicContact CE2-CB 3.88Å; F199-L302 HydrophobicContact CE2-CD2 3.75Å; F199-L302 HydrophobicContact CE2-CG 4.25Å; F199-L302 HydrophobicContact CZ-CB 4.04Å; F199-L302 HydrophobicContact CZ-CD2 4.21Å; F199-L302 HydrophobicContact CZ-CG 4.34Å; F199-V304 HydrophobicContact CD1-CG2 3.87Å; F199-V304 HydrophobicContact CE1-CB 4.34Å; F199-V304 HydrophobicContact CE1-CG2 3.62Å; F199-V304 HydrophobicContact CZ-CG2 4.19Å
200	L	98.7	Very high	82.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.9	165.2	-174.6	67.6	0	0	0	107.1	S187 I188 F189 D202 T203 L227 I239 H241 L242 L243 V258	S187-L200 WeakPolarHBondContact OG-CD1 3.36Å; I188-L200 WeakPolarHBondContact O-CA 3.31Å; F189-L200 HydrophobicContact CB-CD1 4.08Å; F189-L200 HydrophobicContact CD2-CD1 4.24Å; L200-D202 WeakPolarHBondContact CG-O 3.1Å; L200-T203 HydrophobicContact CD2-CG2 4.03Å; L200-L227 HydrophobicContact CD1-CD1 4.06Å; L200-L227 HydrophobicContact CD2-CD2 4.23Å; L200-I239 HydrophobicContact CB-CD1 4.03Å; L200-I239 HydrophobicContact CB-CG1 4.47Å; L200-I239 HydrophobicContact CB-CG2 3.94Å; L200-I239 HydrophobicContact CD2-CD1 3.66Å; L200-I239 HydrophobicContact CG-CD1 4.46Å; L200-H241 PolarHBondContact N-O 3.46Å; L200-L242 HydrophobicContact CB-CG 4.28Å; L200-L242 HydrophobicContact CD2-CD1 4.11Å; L200-L242 HydrophobicContact CD2-CG 4.35Å; L200-L242 CarbonylContact O-C 3.49Å; L200-L242 VanDerWaalsContact O-CA 3.24Å; L200-L242 WeakPolarHBondContact O-CA 3.45Å; L200-L243 PolarHBondContact O-N 2.87Å; L200-V258 HydrophobicContact CD2-CG1 4.04Å
201	I	98.8	Very high	80.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.4	174.7	-58.2	167.7	0	0	0	105.8	I188 I190 L243 T245 T322 L333	I188-I201 HydrophobicContact CB-CB 4.31Å; I188-I201 PolarHBondContact N-O 3.29Å; I188-I201 PolarHBondContact O-N 3.41Å; I190-I201 HydrophobicContact CD1-CD1 4.12Å; I201-L243 CarbonylContact C-O 3.57Å; I201-L243 WeakPolarHBondContact CA-O 3.35Å; I201-L243 HydrophobicContact CG1-CB 4.24Å; I201-L243 HydrophobicContact CG1-CD1 4.01Å; I201-T245 HydrophobicContact CG2-CG2 3.74Å; I201-T322 HydrophobicContact CD1-CG2 4.4Å; I201-L333 HydrophobicContact CD1-CD1 3.54Å
202	D	98.5	Very high	78.3	Confident	0 Å²	0	58 Å²	58	0%	0	26%	0.263	C	S	.	.			trans	61.5	157.1	-173.1	-57.8	-27.4	0	0	0	114.4	D186 S187 L200 L243 I244 T245 H251	D186-D202 HydrophobicContact CB-CB 3.9Å; D186-D202 CarbonylContact O-C 3.38Å; D186-D202 WeakPolarHBondContact O-CB 3.22Å; S187-D202 WeakPolarHBondContact CA-O 3.15Å; S187-D202 PolarHBondContact OG-O 3.12Å; L200-D202 WeakPolarHBondContact CG-O 3.1Å; D202-L243 PolarHBondContact N-O 2.94Å; D202-I244 WeakPolarHBondContact OD1-CA 3.46Å; D202-T245 VanDerWaalsContact CG-OG1 3.31Å; D202-T245 PolarHBondContact OD1-N 3.28Å; D202-T245 PolarHBondContact OD1-OG1 2.85Å; D202-T245 WeakPolarHBondContact OD2-CG2 3.5Å; D202-T245 PolarHBondContact OD2-OG1 2.85Å; D202-H251 CarbonylContact C-O 3.51Å; D202-H251 WeakPolarHBondContact CA-O 3.21Å; D202-H251 HydrophobicContact CB-CB 4.26Å; D202-H251 WeakPolarHBondContact CB-O 3.35Å; D202-H251 IonicContact OD2-CE1 3.62Å; D202-H251 IonicContact OD2-CG 3.36Å; D202-H251 IonicContact OD2-ND1 2.7Å; D202-H251 PolarHBondContact OD2-ND1 3.06Å
203	T	96.9	Very high	76.3	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.006	30%	0.301	C	S	.	.			trans	-121.2	-3.9	-173.6	57.7	0	0	0	0	113.1	D186 L200 L242 I244 H251 E254 L255 V258	D186-T203 PolarHBondContact O-N 3.44Å; L200-T203 HydrophobicContact CD2-CG2 4.03Å; T203-L242 HydrophobicContact CG2-CD1 4.12Å; T203-L242 HydrophobicContact CG2-CD2 4.28Å; T203-I244 HydrophobicContact CG2-CD1 4.35Å; T203-H251 PolarHBondContact N-O 3.49Å; T203-H251 PolarHBondContact OG1-O 3.09Å; T203-E254 WeakPolarHBondContact O-CB 3.32Å; T203-L255 HydrophobicContact CG2-CD1 4.45Å; T203-L255 PolarHBondContact OG1-N 2.94Å; T203-L255 VanDerWaalsContact OG1-N 3.11Å; T203-V258 HydrophobicContact CG2-CB 4.27Å; T203-V258 HydrophobicContact CG2-CG1 4.49Å; T203-V258 HydrophobicContact CG2-CG2 3.98Å
204	G	93.6	Very high	75.1	Confident	0 Å²	0	76 Å²	76	0%	0	34%	0.335	C	S	.	.			trans	72.7	-171	-170.7	0	0	0	0	0	111.9	D186 D250 H251 G253 E254	D186-G204 WeakPolarHBondContact O-CA 3.41Å; D186-G204 PolarHBondContact O-N 3.42Å; G204-D250 CarbonylContact C-O 3.54Å; G204-D250 VanDerWaalsContact CA-O 3.25Å; G204-D250 WeakPolarHBondContact CA-O 3.14Å; G204-H251 PolarHBondContact N-O 2.86Å; G204-G253 PolarHBondContact O-N 3.04Å; G204-E254 PolarHBondContact O-N 2.87Å
205	G	87.8	Confident	73.9	Confident	3 Å²	3	75.4 Å²	75.4	3%	0.031	33%	0.333	C	S	.	.			trans	160.7	-178.7	164	0	0	0	0	0	113.7	A249	G205-A249 CarbonylContact C-O 3.59Å; G205-A249 WeakPolarHBondContact CA-O 3.4Å; G205-A249 PolarHBondContact N-O 3.4Å
206	R	74.8	Confident	72.8	Confident	81 Å²	81	72.8 Å²	72.8	31%	0.306	33%	0.333	S	S	.	.			trans	-98.8	126.8	-179.5	-73.2	-169.6	-174.3	150	18.8	110.7	T208 Q219 K220 L222	R206-T208 PolarHBondContact O-N 2.88Å; R206-Q219 VanDerWaalsContact NH1-CB 3.34Å; R206-Q219 VanDerWaalsContact NH1-CD 3.26Å; R206-K220 PolarHBondContact NH2-O 2.95Å; R206-L222 HydrophobicContact CG-CB 4.4Å; R206-L222 HydrophobicContact CG-CD2 4.18Å
207	L	60.4	Low	71.6	Confident	47 Å²	47	80.3 Å²	80.3	25%	0.246	36%	0.359	C	S	.	.			trans	-71.7	111.6	163	-64	152.3	0	0	0	108.6	Q184 F209 A249 D250 Y391	Q184-L207 HydrophobicContact CG-CD1 4.19Å; L207-F209 HydrophobicContact CB-CD2 4.33Å; L207-F209 HydrophobicContact CB-CE2 3.61Å; L207-F209 HydrophobicContact CB-CZ 3.97Å; L207-F209 WeakPolarHBondContact O-CD2 3.46Å; L207-F209 PolarHBondContact O-N 3.34Å; L207-A249 HydrophobicContact CD2-CB 4.3Å; L207-D250 HydrophobicContact CD1-CB 4.32Å; L207-D250 HydrophobicContact CG-CB 4.32Å; L207-Y391 HydrophobicContact CD1-CE2 3.42Å; L207-Y391 VanDerWaalsContact CD1-CE2 3.42Å; L207-Y391 WeakPolarHBondContact CD1-OH 3.13Å; L207-Y391 WeakPolarHBondContact CD2-OH 3.16Å
208	T	53.4	Low	69.5	Low	136 Å²	136	88.9 Å²	88.9	83%	0.834	40%	0.399	S	S	*	.			trans	-80.7	93.6	-179.3	43	0	0	0	0	110.3	R206	R206-T208 PolarHBondContact O-N 2.88Å
209	F	51.9	Low	67.8	Low	84 Å²	84	93.1 Å²	93.1	37%	0.368	42%	0.418	S	S	.	.			trans	-82.7	141.8	168.2	-59.5	-78.7	0	0	0	110.5	L207 Q211	L207-F209 HydrophobicContact CB-CD2 4.33Å; L207-F209 HydrophobicContact CB-CE2 3.61Å; L207-F209 HydrophobicContact CB-CZ 3.97Å; L207-F209 WeakPolarHBondContact O-CD2 3.46Å; L207-F209 PolarHBondContact O-N 3.34Å; F209-Q211 PolarHBondContact O-N 2.75Å
210	R	46.6	Very low	66.3	Low	264 Å²	264	99.7 Å²	99.7	100%	0.996	45%	0.446	S	S	*	.			trans	-48.2	113.8	176.1	-95.6	177.5	101.4	172.4	5.3	110.5
211	Q	49.8	Very low	65.2	Low	108 Å²	108	104.2 Å²	104.2	51%	0.505	47%	0.467	S	S	.	.			trans	-116.6	148.2	173.4	-74.7	178.2	31.6	0	0	109.8	F209 Q215	F209-Q211 PolarHBondContact O-N 2.75Å; Q211-Q215 HydrophobicContact CB-CB 4.22Å
212	K	47.3	Very low	64.1	Low	148 Å²	148	105.8 Å²	105.8	64%	0.643	48%	0.475	S	S	*	.			trans	-67.1	141.9	178.2	-67.8	-177.9	178.6	-179.8	0	108.7	W214 Q215	K212-W214 PolarHBondContact O-N 2.85Å; K212-Q215 VanDerWaalsContact N-OE1 3.16Å; K212-Q215 VanDerWaalsContact O-CB 3.3Å; K212-Q215 WeakPolarHBondContact O-CB 3.37Å; K212-Q215 PolarHBondContact O-N 2.9Å
213	K	49.7	Very low	62.8	Low	198 Å²	198	105.8 Å²	105.8	86%	0.861	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-46.9	-37.3	-173.1	-80.4	-176.3	174.5	-179	0	114.9	Q215 S216	K213-Q215 PolarHBondContact O-N 3.39Å; K213-S216 WeakPolarHBondContact O-CB 3.26Å; K213-S216 PolarHBondContact O-N 3.41Å; K213-S216 VanDerWaalsContact O-N 3.12Å; K213-S216 PolarHBondContact O-OG 3.25Å
214	W	57.8	Low	61.9	Low	201 Å²	201	108.4 Å²	108.4	76%	0.761	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17.4	178.5	66.2	-97.1	0	0	0	114.4	K212 S216	K212-W214 PolarHBondContact O-N 2.85Å; W214-S216 VanDerWaalsContact C-N 3.34Å
215	Q	49.9	Very low	60.9	Low	76 Å²	76	114.3 Å²	114.3	36%	0.355	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-83.2	-12.5	174.1	-61.1	176.4	-40	0	0	112.2	Q211 K212 K213 R217	Q211-Q215 HydrophobicContact CB-CB 4.22Å; K212-Q215 VanDerWaalsContact N-OE1 3.16Å; K212-Q215 VanDerWaalsContact O-CB 3.3Å; K212-Q215 WeakPolarHBondContact O-CB 3.37Å; K212-Q215 PolarHBondContact O-N 2.9Å; K213-Q215 PolarHBondContact O-N 3.39Å; Q215-R217 PolarHBondContact O-N 3.22Å
216	S	50.6	Low	60.4	Low	88 Å²	88	117.5 Å²	117.5	62%	0.615	53%	0.529	S	S	*	.			trans	-77.5	91	177.5	71.6	0	0	0	0	110.5	K213 W214	K213-S216 WeakPolarHBondContact O-CB 3.26Å; K213-S216 PolarHBondContact O-N 3.41Å; K213-S216 VanDerWaalsContact O-N 3.12Å; K213-S216 PolarHBondContact O-OG 3.25Å; W214-S216 VanDerWaalsContact C-N 3.34Å
217	R	50.9	Low	60.8	Low	212 Å²	212	113.7 Å²	113.7	80%	0.8	51%	0.514	S	S	*	.			trans	-79.6	154	163.2	-68.8	177.6	78.8	173.6	4.4	108.8	Q215 Q219	Q215-R217 PolarHBondContact O-N 3.22Å; R217-Q219 VanDerWaalsContact C-N 3.31Å; R217-Q219 WeakPolarHBondContact O-CG 3.5Å; R217-Q219 PolarHBondContact O-N 3.47Å
218	Q	48.3	Very low	62	Low	207 Å²	207	111.5 Å²	111.5	97%	0.967	50%	0.503	S	S	*	.			trans	-61.3	99.5	165.4	-155.2	177.5	24.2	0	0	107
219	Q	60.1	Low	63.2	Low	100 Å²	100	107.8 Å²	107.8	47%	0.467	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-90.9	123.3	-166.4	-89.9	174	28	0	0	108.5	R206 R217	R206-Q219 VanDerWaalsContact NH1-CB 3.34Å; R206-Q219 VanDerWaalsContact NH1-CD 3.26Å; R217-Q219 VanDerWaalsContact C-N 3.31Å; R217-Q219 WeakPolarHBondContact O-CG 3.5Å; R217-Q219 PolarHBondContact O-N 3.47Å
220	K	66.5	Low	64.7	Low	139 Å²	139	105 Å²	105	60%	0.604	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-55.9	142.2	165.5	-76.3	-172.3	177.4	-176	0	109.5	R206 Y225	R206-K220 PolarHBondContact NH2-O 2.95Å; K220-Y225 HydrophobicContact CB-CE2 3.83Å
221	H	75.1	Confident	66.4	Low	94 Å²	94	92.5 Å²	92.5	44%	0.435	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-58.6	144	174.9	-75.5	-81.2	0	0	0	110.2	S223 D224 Y225 E254 N257	H221-S223 PolarHBondContact O-N 2.93Å; H221-D224 PolarHBondContact N-OD2 2.91Å; H221-D224 WeakPolarHBondContact O-CB 3.49Å; H221-D224 PolarHBondContact O-N 2.93Å; H221-D224 VanDerWaalsContact O-N 3.12Å; H221-Y225 WeakPolarHBondContact O-CD2 3.46Å; H221-E254 VanDerWaalsContact CB-OE2 3.3Å; H221-E254 WeakPolarHBondContact CB-OE2 3.43Å; H221-E254 IonicContact CG-OE2 2.64Å; H221-E254 IonicContact ND1-OE2 3.99Å; H221-N257 HydrophobicContact CB-CB 4.22Å; H221-N257 WeakPolarHBondContact CB-ND2 3.4Å; H221-N257 VanDerWaalsContact CG-CG 3.47Å
222	L	75.3	Confident	67.8	Low	34 Å²	34	93.9 Å²	93.9	18%	0.178	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-65.2	-34.4	-175.6	-168.8	62.7	0	0	0	111.1	V182 R206 D224 Y225 E254	V182-L222 WeakPolarHBondContact O-CD2 3.46Å; R206-L222 HydrophobicContact CG-CB 4.4Å; R206-L222 HydrophobicContact CG-CD2 4.18Å; L222-D224 PolarHBondContact O-N 2.82Å; L222-Y225 PolarHBondContact O-N 3.43Å; L222-E254 HydrophobicContact CB-CG 4.1Å; L222-E254 VanDerWaalsContact CB-OE1 3.28Å; L222-E254 WeakPolarHBondContact CB-OE1 2.78Å; L222-E254 VanDerWaalsContact N-CD 3.26Å; L222-E254 PolarHBondContact N-OE1 3.24Å; L222-E254 PolarHBondContact N-OE2 2.86Å; L222-E254 VanDerWaalsContact N-OE2 3.11Å
223	S	72	Confident	69	Low	1 Å²	1	91.2 Å²	91.2	1%	0.007	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-65.4	-19.6	177.1	70.2	0	0	0	0	113.2	H221 Y225 L227 L228 E254 N257	H221-S223 PolarHBondContact O-N 2.93Å; S223-Y225 PolarHBondContact O-N 3.35Å; S223-L227 PolarHBondContact O-N 2.86Å; S223-L228 WeakPolarHBondContact O-CB 3.44Å; S223-L228 PolarHBondContact O-N 3.43Å; S223-E254 WeakPolarHBondContact CB-OE2 3.38Å; S223-E254 PolarHBondContact N-OE2 3.18Å; S223-E254 PolarHBondContact OG-OE2 3.32Å; S223-E254 VanDerWaalsContact OG-OE2 3.13Å; S223-N257 PolarHBondContact OG-ND2 3.22Å
224	D	77.2	Confident	70.2	Confident	55 Å²	55	83 Å²	83	29%	0.294	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-70	-19.2	178	-65	-17	0	0	0	113	H221 L222 L228 P229 N257	H221-D224 PolarHBondContact N-OD2 2.91Å; H221-D224 WeakPolarHBondContact O-CB 3.49Å; H221-D224 PolarHBondContact O-N 2.93Å; H221-D224 VanDerWaalsContact O-N 3.12Å; L222-D224 PolarHBondContact O-N 2.82Å; D224-L228 WeakPolarHBondContact OD1-CD1 3.41Å; D224-P229 WeakPolarHBondContact O-CD 3.28Å; D224-P229 WeakPolarHBondContact O-CG 3.21Å; D224-N257 PolarHBondContact OD1-ND2 3.21Å
225	Y	73.4	Confident	71	Confident	125 Å²	125	76.2 Å²	76.2	49%	0.49	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-47.8	-178.5	-68.3	-86	0	0	0	112	K220 H221 L222 S223	K220-Y225 HydrophobicContact CB-CE2 3.83Å; H221-Y225 WeakPolarHBondContact O-CD2 3.46Å; L222-Y225 PolarHBondContact O-N 3.43Å; S223-Y225 PolarHBondContact O-N 3.35Å
226	N	76.6	Confident	72.5	Confident	70 Å²	70	73.2 Å²	73.2	37%	0.374	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-56.6	-169.8	-65.5	-20.2	0	0	0	112.5	V180 D181 F230	V180-N226 HydrophobicContact CG1-CB 4.46Å; D181-N226 WeakPolarHBondContact O-CB 3.27Å; D181-N226 PolarHBondContact O-ND2 3.01Å; N226-F230 WeakPolarHBondContact O-CB 3.32Å; N226-F230 PolarHBondContact O-N 2.95Å
227	L	84.7	Confident	74.2	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-54.7	-172	177.8	60.3	0	0	0	113.6	V180 V182 L200 S223 F230 L231 V258	V180-L227 HydrophobicContact CG1-CB 4.47Å; V180-L227 HydrophobicContact CG1-CD1 4.45Å; V180-L227 HydrophobicContact CG2-CD1 4.26Å; V182-L227 HydrophobicContact CG1-CB 4.4Å; L200-L227 HydrophobicContact CD1-CD1 4.06Å; L200-L227 HydrophobicContact CD2-CD2 4.23Å; S223-L227 PolarHBondContact O-N 2.86Å; L227-F230 WeakPolarHBondContact O-CB 2.81Å; L227-F230 PolarHBondContact O-N 2.95Å; L227-L231 HydrophobicContact CD1-CD1 4.1Å; L227-L231 HydrophobicContact CD1-CG 4.14Å; L227-L231 HydrophobicContact CG-CD1 4.26Å; L227-L231 WeakPolarHBondContact O-CG 3.17Å; L227-L231 PolarHBondContact O-N 3.19Å; L227-V258 HydrophobicContact CD2-CG2 3.71Å
228	L	84.7	Confident	76.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-43.9	-177.8	-65.5	177.1	0	0	0	112.4	S223 D224 F230 L231 K232 N261 V262	S223-L228 WeakPolarHBondContact O-CB 3.44Å; S223-L228 PolarHBondContact O-N 3.43Å; D224-L228 WeakPolarHBondContact OD1-CD1 3.41Å; L228-F230 VanDerWaalsContact C-N 3.3Å; L228-F230 PolarHBondContact O-N 3.37Å; L228-L231 PolarHBondContact O-N 2.85Å; L228-K232 WeakPolarHBondContact O-CB 3.39Å; L228-K232 VanDerWaalsContact O-CG 3.28Å; L228-K232 WeakPolarHBondContact O-CG 3.5Å; L228-K232 PolarHBondContact O-N 2.95Å; L228-N261 HydrophobicContact CD1-CB 3.82Å; L228-N261 HydrophobicContact CD2-CB 4.02Å; L228-V262 HydrophobicContact CD2-CG2 3.68Å
229	P	79	Confident	78.6	Confident	57 Å²	57	58.5 Å²	58.5	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-40.8	171.2	-27.6	38.1	0	0	0	112.9	D224 K232 S233	D224-P229 WeakPolarHBondContact O-CD 3.28Å; D224-P229 WeakPolarHBondContact O-CG 3.21Å; P229-K232 PolarHBondContact O-N 3.17Å; P229-S233 WeakPolarHBondContact O-CB 3.4Å; P229-S233 PolarHBondContact O-N 3.41Å
230	F	82.8	Confident	80.4	Confident	27 Å²	27	54.2 Å²	54.2	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-51.1	175	168.6	-115.1	0	0	0	111.8	M176 A178 V180 F189 N226 L227 L228 K232 S233 L234 M417	M176-F230 HydrophobicContact SD-CE2 4.46Å; M176-F230 HydrophobicContact SD-CZ 3.97Å; A178-F230 HydrophobicContact CB-CE1 4.23Å; A178-F230 HydrophobicContact CB-CZ 3.85Å; V180-F230 HydrophobicContact CG2-CD1 3.83Å; V180-F230 HydrophobicContact CG2-CE1 3.81Å; F189-F230 HydrophobicContact CB-CE1 3.98Å; F189-F230 AromaticContact CD1-CE1 3.7Å; F189-F230 HydrophobicContact CD1-CE1 3.7Å; F189-F230 HydrophobicContact CD1-CZ 4.08Å; F189-F230 HydrophobicContact CG-CE1 4.08Å; N226-F230 WeakPolarHBondContact O-CB 3.32Å; N226-F230 PolarHBondContact O-N 2.95Å; L227-F230 WeakPolarHBondContact O-CB 2.81Å; L227-F230 PolarHBondContact O-N 2.95Å; L228-F230 VanDerWaalsContact C-N 3.3Å; L228-F230 PolarHBondContact O-N 3.37Å; F230-K232 VanDerWaalsContact C-N 3.31Å; F230-K232 PolarHBondContact O-N 3.33Å; F230-S233 WeakPolarHBondContact O-CB 3.39Å; F230-S233 PolarHBondContact O-N 3.17Å; F230-S233 VanDerWaalsContact O-N 3.12Å; F230-S233 PolarHBondContact O-OG 3.46Å; F230-L234 HydrophobicContact CD2-CD1 4.33Å; F230-L234 HydrophobicContact CD2-CG 4.42Å; F230-L234 HydrophobicContact CE1-CD1 3.98Å; F230-L234 HydrophobicContact CE2-CD1 3.66Å; F230-L234 HydrophobicContact CE2-CD2 4.41Å; F230-L234 HydrophobicContact CE2-CG 4.06Å; F230-L234 HydrophobicContact CZ-CD1 3.48Å; F230-L234 VanDerWaalsContact CZ-CD1 3.48Å; F230-L234 HydrophobicContact CZ-CG 4.36Å; F230-L234 PolarHBondContact O-N 2.72Å; F230-M417 HydrophobicContact CD1-SD 4.45Å; F230-M417 HydrophobicContact CD2-CE 4.01Å; F230-M417 HydrophobicContact CD2-SD 3.78Å; F230-M417 HydrophobicContact CE1-SD 4.2Å; F230-M417 HydrophobicContact CE2-CE 3.69Å; F230-M417 HydrophobicContact CE2-SD 3.5Å; F230-M417 VanDerWaalsContact CE2-SD 3.5Å; F230-M417 HydrophobicContact CG-SD 4.23Å; F230-M417 HydrophobicContact CZ-CE 4.4Å; F230-M417 HydrophobicContact CZ-SD 3.72Å
231	L	83.1	Confident	81.9	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-42.6	177.4	-67.3	177.7	0	0	0	111.8	F189 L227 L228 L234 G235 C236 I239 V262	F189-L231 HydrophobicContact CD1-CD2 4.27Å; F189-L231 HydrophobicContact CD2-CD2 3.58Å; F189-L231 HydrophobicContact CE1-CD2 4.19Å; F189-L231 HydrophobicContact CE2-CD2 3.52Å; F189-L231 HydrophobicContact CG-CD2 3.97Å; F189-L231 HydrophobicContact CZ-CD2 3.84Å; L227-L231 HydrophobicContact CD1-CD1 4.1Å; L227-L231 HydrophobicContact CD1-CG 4.14Å; L227-L231 HydrophobicContact CG-CD1 4.26Å; L227-L231 WeakPolarHBondContact O-CG 3.17Å; L227-L231 PolarHBondContact O-N 3.19Å; L228-L231 PolarHBondContact O-N 2.85Å; L231-L234 PolarHBondContact O-N 2.99Å; L231-G235 PolarHBondContact O-N 2.84Å; L231-C236 HydrophobicContact CB-CB 4.27Å; L231-C236 HydrophobicContact CD2-CB 4.29Å; L231-C236 VanDerWaalsContact O-CB 3.29Å; L231-C236 WeakPolarHBondContact O-CB 3.09Å; L231-C236 PolarHBondContact O-N 3.17Å; L231-I239 HydrophobicContact CD1-CD1 4.11Å; L231-V262 HydrophobicContact CD1-CG2 4.16Å
232	K	78	Confident	83	Confident	137 Å²	137	43.5 Å²	43.5	60%	0.596	24%	0.241	S	C	*	.	H	α-helix	trans	-61.2	-43.7	174.9	-73.6	172.3	-177.7	176.3	0	111.8	L228 P229 F230 L234 G235	L228-K232 WeakPolarHBondContact O-CB 3.39Å; L228-K232 VanDerWaalsContact O-CG 3.28Å; L228-K232 WeakPolarHBondContact O-CG 3.5Å; L228-K232 PolarHBondContact O-N 2.95Å; P229-K232 PolarHBondContact O-N 3.17Å; F230-K232 VanDerWaalsContact C-N 3.31Å; F230-K232 PolarHBondContact O-N 3.33Å; K232-L234 PolarHBondContact O-N 3.44Å; K232-G235 PolarHBondContact O-N 2.94Å
233	S	73.8	Confident	84.1	Confident	93 Å²	93	41.9 Å²	41.9	65%	0.65	23%	0.233	S	C	*	.	H	α-helix	trans	-60.3	-29	178.1	81.8	0	0	0	0	113	P229 F230 G235	P229-S233 WeakPolarHBondContact O-CB 3.4Å; P229-S233 PolarHBondContact O-N 3.41Å; F230-S233 WeakPolarHBondContact O-CB 3.39Å; F230-S233 PolarHBondContact O-N 3.17Å; F230-S233 VanDerWaalsContact O-N 3.12Å; F230-S233 PolarHBondContact O-OG 3.46Å; S233-G235 VanDerWaalsContact C-N 3.31Å
234	L	75.1	Confident	85.4	Confident	26 Å²	26	41.9 Å²	41.9	14%	0.136	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.7	176.6	-65.1	-176.3	0	0	0	113.9	M176 F189 K191 F230 L231 K232 C236	M176-L234 HydrophobicContact CE-CD1 4.25Å; M176-L234 HydrophobicContact CE-CD2 3.79Å; M176-L234 HydrophobicContact SD-CD1 3.57Å; M176-L234 VanDerWaalsContact SD-CD1 3.57Å; M176-L234 HydrophobicContact SD-CD2 4.19Å; F189-L234 HydrophobicContact CD1-CD1 4.02Å; F189-L234 HydrophobicContact CE1-CD1 3.55Å; K191-L234 HydrophobicContact CD-CD1 4.46Å; K191-L234 PolarHBondContact NZ-O 2.98Å; F230-L234 HydrophobicContact CD2-CD1 4.33Å; F230-L234 HydrophobicContact CD2-CG 4.42Å; F230-L234 HydrophobicContact CE1-CD1 3.98Å; F230-L234 HydrophobicContact CE2-CD1 3.66Å; F230-L234 HydrophobicContact CE2-CD2 4.41Å; F230-L234 HydrophobicContact CE2-CG 4.06Å; F230-L234 HydrophobicContact CZ-CD1 3.48Å; F230-L234 VanDerWaalsContact CZ-CD1 3.48Å; F230-L234 HydrophobicContact CZ-CG 4.36Å; F230-L234 PolarHBondContact O-N 2.72Å; L231-L234 PolarHBondContact O-N 2.99Å; K232-L234 PolarHBondContact O-N 3.44Å; L234-C236 HydrophobicContact CB-CB 4.41Å; L234-C236 PolarHBondContact O-N 2.98Å
235	G	74.2	Confident	86.4	Confident	57 Å²	57	39.4 Å²	39.4	59%	0.588	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	26.8	-169.3	0	0	0	0	0	112.8	L231 K232 S233 T237	L231-G235 PolarHBondContact O-N 2.84Å; K232-G235 PolarHBondContact O-N 2.94Å; S233-G235 VanDerWaalsContact C-N 3.31Å; G235-T237 PolarHBondContact O-N 2.77Å
236	C	81.8	Confident	87.5	Confident	13 Å²	13	33.5 Å²	33.5	9%	0.088	20%	0.196	C	C	.	.			trans	-83.4	95.4	-179	-172.8	0	0	0	0	110.1	F189 L231 L234 K238	F189-C236 HydrophobicContact CZ-CB 4.28Å; L231-C236 HydrophobicContact CB-CB 4.27Å; L231-C236 HydrophobicContact CD2-CB 4.29Å; L231-C236 VanDerWaalsContact O-CB 3.29Å; L231-C236 WeakPolarHBondContact O-CB 3.09Å; L231-C236 PolarHBondContact O-N 3.17Å; L234-C236 HydrophobicContact CB-CB 4.41Å; L234-C236 PolarHBondContact O-N 2.98Å; C236-K238 PolarHBondContact SG-O 2.89Å
237	T	85	Confident	88.5	Confident	118 Å²	118	31.2 Å²	31.2	72%	0.724	18%	0.184	S	C	*	.			trans	-91.7	-5.6	178.5	56.9	0	0	0	0	113.6	G235 K263	G235-T237 PolarHBondContact O-N 2.77Å; T237-K263 PolarHBondContact O-N 3Å
238	K	93.3	Very high	88.9	Confident	80 Å²	80	33.8 Å²	33.8	35%	0.348	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	136.1	-176.5	-177.2	-166.7	59.7	155.9	0	111.4	T198 C236 D240 K263	T198-K238 PolarHBondContact OG1-O 2.89Å; C236-K238 PolarHBondContact SG-O 2.89Å; K238-D240 VanDerWaalsContact CE-OD1 3.27Å; K238-D240 WeakPolarHBondContact CE-OD1 3.47Å; K238-D240 VanDerWaalsContact CE-OD2 3.28Å; K238-D240 WeakPolarHBondContact CE-OD2 3.36Å; K238-D240 IonicContact NZ-OD1 3.73Å; K238-D240 PolarHBondContact NZ-OD1 2.92Å; K238-D240 IonicContact NZ-OD2 3.51Å; K238-D240 PolarHBondContact NZ-OD2 2.87Å; K238-K263 CarbonylContact C-O 3.54Å; K238-K263 WeakPolarHBondContact CA-O 3.26Å; K238-K263 HydrophobicContact CB-CB 4.42Å; K238-K263 HydrophobicContact CG-CB 4.38Å; K238-K263 HydrophobicContact CG-CG 4.34Å; K238-K263 WeakPolarHBondContact CG-O 3.49Å
239	I	97.9	Very high	89.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.4	166.8	-64.9	162	0	0	0	107.8	T198 L200 L231 H241 L242 V258 V262 K263 V264 K265	T198-I239 WeakPolarHBondContact OG1-CA 3.49Å; L200-I239 HydrophobicContact CB-CD1 4.03Å; L200-I239 HydrophobicContact CB-CG1 4.47Å; L200-I239 HydrophobicContact CB-CG2 3.94Å; L200-I239 HydrophobicContact CD2-CD1 3.66Å; L200-I239 HydrophobicContact CG-CD1 4.46Å; L231-I239 HydrophobicContact CD1-CD1 4.11Å; I239-H241 WeakPolarHBondContact CG2-O 3.41Å; I239-L242 HydrophobicContact CG2-CB 4.11Å; I239-V258 HydrophobicContact CD1-CG1 4Å; I239-V262 HydrophobicContact CD1-CG1 4.04Å; I239-V262 HydrophobicContact CG1-CG1 4.04Å; I239-K263 PolarHBondContact N-O 2.93Å; I239-V264 HydrophobicContact CB-CG2 4.34Å; I239-V264 HydrophobicContact CD1-CG2 4.44Å; I239-V264 WeakPolarHBondContact O-CA 3.5Å; I239-K265 PolarHBondContact O-N 2.89Å
240	D	98.2	Very high	89.9	Confident	11 Å²	11	33.1 Å²	33.1	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-36.1	179.6	-77.6	-67.2	0	0	0	112.1	E197 T198 K238 N266	E197-D240 HydrophobicContact CB-CB 4.16Å; E197-D240 HydrophobicContact CG-CB 4.48Å; T198-D240 PolarHBondContact O-N 2.94Å; T198-D240 VanDerWaalsContact O-N 3.14Å; T198-D240 PolarHBondContact OG1-N 3.22Å; K238-D240 VanDerWaalsContact CE-OD1 3.27Å; K238-D240 WeakPolarHBondContact CE-OD1 3.47Å; K238-D240 VanDerWaalsContact CE-OD2 3.28Å; K238-D240 WeakPolarHBondContact CE-OD2 3.36Å; K238-D240 IonicContact NZ-OD1 3.73Å; K238-D240 PolarHBondContact NZ-OD1 2.92Å; K238-D240 IonicContact NZ-OD2 3.51Å; K238-D240 PolarHBondContact NZ-OD2 2.87Å; D240-N266 WeakPolarHBondContact O-CB 3.2Å; D240-N266 PolarHBondContact O-N 3.46Å; D240-N266 PolarHBondContact O-ND2 3.28Å
241	H	98.7	Very high	90.5	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	109	-179.2	-51.1	-79.8	0	0	0	110.6	E197 T198 F199 L200 I239 L243 Y268 V298	E197-H241 IonicContact OE1-NE2 3.4Å; E197-H241 IonicContact OE2-NE2 3.18Å; T198-H241 PolarHBondContact O-N 2.85Å; F199-H241 CarbonylContact C-O 3.6Å; F199-H241 WeakPolarHBondContact CA-O 3.38Å; F199-H241 HydrophobicContact CD1-CB 3.56Å; F199-H241 AromaticContact CD1-CD2 3.96Å; F199-H241 AromaticContact CD1-CG 3.97Å; F199-H241 HydrophobicContact CE1-CB 3.86Å; F199-H241 AromaticContact CE1-CD2 3.53Å; F199-H241 AromaticContact CE1-CG 3.74Å; F199-H241 AromaticContact CE2-CD2 3.91Å; F199-H241 HydrophobicContact CG-CB 4.14Å; F199-H241 AromaticContact CZ-CD2 3.49Å; F199-H241 VanDerWaalsContact CZ-CD2 3.49Å; F199-H241 WeakPolarHBondContact CZ-CD2 3.23Å; L200-H241 PolarHBondContact N-O 3.46Å; I239-H241 WeakPolarHBondContact CG2-O 3.41Å; H241-L243 HydrophobicContact CB-CD1 4.19Å; H241-Y268 HydrophobicContact CB-CD2 4.29Å; H241-Y268 HydrophobicContact CB-CE2 3.74Å; H241-Y268 AromaticContact CG-CE2 3.96Å; H241-Y268 AromaticContact ND1-CE2 3.4Å; H241-Y268 WeakPolarHBondContact ND1-CE2 3.43Å; H241-Y268 AromaticContact ND1-CZ 3.59Å; H241-Y268 PolarHBondContact ND1-OH 3.39Å; H241-V298 HydrophobicContact CB-CG1 4.01Å
242	L	98.8	Very high	91.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.9	169.2	-162.4	160.5	0	0	0	108.1	L200 T203 I239 I244 L255 V258 V264 N266 L267 Y268	L200-L242 HydrophobicContact CB-CG 4.28Å; L200-L242 HydrophobicContact CD2-CD1 4.11Å; L200-L242 HydrophobicContact CD2-CG 4.35Å; L200-L242 CarbonylContact O-C 3.49Å; L200-L242 VanDerWaalsContact O-CA 3.24Å; L200-L242 WeakPolarHBondContact O-CA 3.45Å; T203-L242 HydrophobicContact CG2-CD1 4.12Å; T203-L242 HydrophobicContact CG2-CD2 4.28Å; I239-L242 HydrophobicContact CG2-CB 4.11Å; L242-I244 HydrophobicContact CD2-CD1 3.61Å; L242-I244 HydrophobicContact CD2-CG1 3.85Å; L242-L255 HydrophobicContact CD1-CD1 3.89Å; L242-L255 HydrophobicContact CD2-CD1 3.69Å; L242-L255 HydrophobicContact CG-CD1 4.47Å; L242-V258 HydrophobicContact CD1-CG1 4.03Å; L242-V264 HydrophobicContact CB-CG1 3.68Å; L242-V264 HydrophobicContact CD1-CG1 4.27Å; L242-V264 HydrophobicContact CD1-CG2 3.89Å; L242-N266 PolarHBondContact N-O 3.34Å; L242-L267 HydrophobicContact CB-CD1 4.38Å; L242-L267 HydrophobicContact CD2-CD1 3.64Å; L242-L267 CarbonylContact O-C 3.56Å; L242-L267 VanDerWaalsContact O-CA 3.32Å; L242-L267 WeakPolarHBondContact O-CA 3.49Å; L242-Y268 PolarHBondContact O-N 3.05Å
243	L	98.8	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.2	176.7	-58.5	87.3	0	0	0	108.5	F199 L200 I201 D202 H241 Y268 V298 I306 T322	F199-L243 HydrophobicContact CD1-CD1 4.13Å; L200-L243 PolarHBondContact O-N 2.87Å; I201-L243 CarbonylContact C-O 3.57Å; I201-L243 WeakPolarHBondContact CA-O 3.35Å; I201-L243 HydrophobicContact CG1-CB 4.24Å; I201-L243 HydrophobicContact CG1-CD1 4.01Å; D202-L243 PolarHBondContact N-O 2.94Å; H241-L243 HydrophobicContact CB-CD1 4.19Å; L243-Y268 WeakPolarHBondContact CA-O 3.35Å; L243-Y268 HydrophobicContact CG-CD2 4.15Å; L243-Y268 HydrophobicContact CG-CG 4.32Å; L243-V298 HydrophobicContact CD2-CB 4.44Å; L243-V298 HydrophobicContact CD2-CG2 4.15Å; L243-I306 HydrophobicContact CD2-CD1 4.12Å; L243-T322 HydrophobicContact CD2-CG2 4.29Å
244	I	98.5	Very high	92.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.6	170.2	-65.1	-57.3	0	0	0	108.2	D202 T203 L242 H246 M252 L255 L267 Y268 L269 L320	D202-I244 WeakPolarHBondContact OD1-CA 3.46Å; T203-I244 HydrophobicContact CG2-CD1 4.35Å; L242-I244 HydrophobicContact CD2-CD1 3.61Å; L242-I244 HydrophobicContact CD2-CG1 3.85Å; I244-H246 WeakPolarHBondContact CG2-O 3.34Å; I244-M252 HydrophobicContact CD1-CB 3.85Å; I244-M252 HydrophobicContact CG1-CB 4.21Å; I244-M252 HydrophobicContact CG2-CB 3.66Å; I244-M252 HydrophobicContact CG2-CG 4.38Å; I244-M252 HydrophobicContact CG2-SD 4.28Å; I244-L255 HydrophobicContact CD1-CD1 4.3Å; I244-L255 HydrophobicContact CG1-CD1 4.38Å; I244-L255 HydrophobicContact CG1-CD2 4.27Å; I244-L267 HydrophobicContact CG1-CD1 4.07Å; I244-Y268 PolarHBondContact N-O 2.91Å; I244-L269 HydrophobicContact CB-CD2 3.82Å; I244-L269 HydrophobicContact CG1-CD2 4.18Å; I244-L269 HydrophobicContact CG2-CD2 4.45Å; I244-L320 VanDerWaalsContact O-CD1 3.31Å; I244-L320 WeakPolarHBondContact O-CD1 3.27Å
245	T	98.1	Very high	93.8	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	15%	0.153	C	C	.	.			trans	-72.6	-43.2	-173.6	56.5	0	0	0	0	112.4	I201 D202 H251 S319 L320	I201-T245 HydrophobicContact CG2-CG2 3.74Å; D202-T245 VanDerWaalsContact CG-OG1 3.31Å; D202-T245 PolarHBondContact OD1-N 3.28Å; D202-T245 PolarHBondContact OD1-OG1 2.85Å; D202-T245 WeakPolarHBondContact OD2-CG2 3.5Å; D202-T245 PolarHBondContact OD2-OG1 2.85Å; T245-H251 PolarHBondContact OG1-ND1 3.37Å; T245-S319 WeakPolarHBondContact O-CA 3.4Å; T245-L320 HydrophobicContact CG2-CB 4.37Å; T245-L320 PolarHBondContact O-N 3.47Å
246	H	97	Very high	94.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.136	C	C	.	.	S	Bend	trans	-159.6	-178.6	176	64.7	-73	0	0	0	109.9	I244 D248 H251 N316 S319	I244-H246 WeakPolarHBondContact CG2-O 3.34Å; H246-D248 IonicContact CD2-OD1 2.67Å; H246-D248 WeakPolarHBondContact NE2-CB 3.48Å; H246-D248 IonicContact NE2-OD2 3.78Å; H246-D248 PolarHBondContact O-N 3.41Å; H246-H251 AromaticContact CE1-CD2 3.07Å; H246-H251 PolarHBondContact CE1-CD2 2.78Å; H246-H251 AromaticContact CE1-CE1 3.46Å; H246-H251 PolarHBondContact CE1-CE1 2.67Å; H246-H251 VanDerWaalsContact CE1-CE1 3.46Å; H246-H251 AromaticContact CE1-CG 3.2Å; H246-H251 AromaticContact CE1-ND1 3.44Å; H246-H251 PolarHBondContact CE1-ND1 2.94Å; H246-H251 AromaticContact CE1-NE2 3.29Å; H246-H251 PolarHBondContact CE1-NE2 2.81Å; H246-H251 VanDerWaalsContact CE1-NE2 3.29Å; H246-H251 AromaticContact ND1-CG 3.78Å; H246-H251 AromaticContact ND1-ND1 3.88Å; H246-H251 AromaticContact NE2-CD2 3.42Å; H246-H251 PolarHBondContact NE2-CD2 2.99Å; H246-H251 AromaticContact NE2-CG 3.83Å; H246-H251 AromaticContact NE2-NE2 3.89Å; H246-N316 PolarHBondContact CD2-OD1 2.82Å; H246-N316 VanDerWaalsContact CD2-OD1 3.26Å; H246-N316 PolarHBondContact NE2-OD1 3.44Å; H246-N316 VanDerWaalsContact NE2-OD1 3.08Å; H246-S319 PolarHBondContact ND1-OG 3.38Å
247	N	96.2	Very high	95.4	Very high	22 Å²	22	22.9 Å²	22.9	12%	0.118	14%	0.137	C	C	.	.	S	Bend	trans	-87.5	0	-164.6	-66.8	-7.6	0	0	0	114.9	M252 S273 E276 L277 G314	N247-M252 VanDerWaalsContact CA-SD 3.54Å; N247-M252 HydrophobicContact CB-SD 4.15Å; N247-M252 WeakPolarHBondContact O-CG 3.38Å; N247-S273 PolarHBondContact ND2-O 2.86Å; N247-S273 VanDerWaalsContact ND2-O 3.16Å; N247-E276 PolarHBondContact ND2-OE2 3.28Å; N247-L277 HydrophobicContact CB-CD2 4.47Å; N247-L277 WeakPolarHBondContact OD1-CD1 3.21Å; N247-G314 WeakPolarHBondContact CB-O 3.36Å; N247-G314 PolarHBondContact N-O 2.94Å
248	D	94.6	Very high	95.9	Very high	54 Å²	54	17.3 Å²	17.3	29%	0.289	10%	0.102	S	C	.	.			trans	-70.1	149.8	-174.9	-73.8	8	0	0	0	112.9	H246 D250 H251 M252 N316	H246-D248 IonicContact CD2-OD1 2.67Å; H246-D248 WeakPolarHBondContact NE2-CB 3.48Å; H246-D248 IonicContact NE2-OD2 3.78Å; H246-D248 PolarHBondContact O-N 3.41Å; D248-D250 VanDerWaalsContact C-N 3.26Å; D248-D250 WeakPolarHBondContact CB-OD1 3.26Å; D248-D250 PolarHBondContact O-N 2.7Å; D248-H251 PolarHBondContact O-N 2.93Å; D248-M252 WeakPolarHBondContact O-CG 3.23Å; D248-M252 PolarHBondContact O-N 3.35Å; D248-N316 PolarHBondContact OD2-OD1 2.88Å
249	A	91.6	Very high	96	Very high	37 Å²	37	14.4 Å²	14.4	31%	0.306	9%	0.09	S	C	.	.	H	α-helix	trans	-65.2	-27.5	-171.5	0	0	0	0	0	113.3	G205 L207 H251 G253	G205-A249 CarbonylContact C-O 3.59Å; G205-A249 WeakPolarHBondContact CA-O 3.4Å; G205-A249 PolarHBondContact N-O 3.4Å; L207-A249 HydrophobicContact CD2-CB 4.3Å; A249-H251 PolarHBondContact O-N 3.16Å; A249-G253 WeakPolarHBondContact O-CA 3.47Å; A249-G253 PolarHBondContact O-N 3.12Å
250	D	92.7	Very high	95.8	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.043	12%	0.121	C	C	.	.	H	α-helix	trans	-80.8	0.3	174.9	55.2	-27.2	0	0	0	113.8	Q184 G185 D186 G204 L207 D248 H362	Q184-D250 WeakPolarHBondContact O-CB 3.3Å; G185-D250 CarbonylContact C-O 3.43Å; G185-D250 WeakPolarHBondContact CA-O 3.47Å; D186-D250 PolarHBondContact N-O 3.4Å; D186-D250 VanDerWaalsContact N-O 3.13Å; G204-D250 CarbonylContact C-O 3.54Å; G204-D250 VanDerWaalsContact CA-O 3.25Å; G204-D250 WeakPolarHBondContact CA-O 3.14Å; L207-D250 HydrophobicContact CD1-CB 4.32Å; L207-D250 HydrophobicContact CG-CB 4.32Å; D248-D250 VanDerWaalsContact C-N 3.26Å; D248-D250 WeakPolarHBondContact CB-OD1 3.26Å; D248-D250 PolarHBondContact O-N 2.7Å; D250-H362 IonicContact OD2-CD2 3.79Å; D250-H362 IonicContact OD2-NE2 3.52Å; D250-H362 PolarHBondContact OD2-NE2 3.29Å
251	H	95.8	Very high	95.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-113.9	-39.2	171.7	-72	-99.5	0	0	0	112.7	D186 D202 T203 G204 T245 H246 D248 A249 D336 H362	D186-H251 IonicContact OD2-CE1 3.16Å; D186-H251 PolarHBondContact OD2-CE1 3.44Å; D186-H251 VanDerWaalsContact OD2-CE1 3.24Å; D186-H251 IonicContact OD2-ND1 3.64Å; D202-H251 CarbonylContact C-O 3.51Å; D202-H251 WeakPolarHBondContact CA-O 3.21Å; D202-H251 HydrophobicContact CB-CB 4.26Å; D202-H251 WeakPolarHBondContact CB-O 3.35Å; D202-H251 IonicContact OD2-CE1 3.62Å; D202-H251 IonicContact OD2-CG 3.36Å; D202-H251 IonicContact OD2-ND1 2.7Å; D202-H251 PolarHBondContact OD2-ND1 3.06Å; T203-H251 PolarHBondContact N-O 3.49Å; T203-H251 PolarHBondContact OG1-O 3.09Å; G204-H251 PolarHBondContact N-O 2.86Å; T245-H251 PolarHBondContact OG1-ND1 3.37Å; H246-H251 AromaticContact CE1-CD2 3.07Å; H246-H251 PolarHBondContact CE1-CD2 2.78Å; H246-H251 AromaticContact CE1-CE1 3.46Å; H246-H251 PolarHBondContact CE1-CE1 2.67Å; H246-H251 VanDerWaalsContact CE1-CE1 3.46Å; H246-H251 AromaticContact CE1-CG 3.2Å; H246-H251 AromaticContact CE1-ND1 3.44Å; H246-H251 PolarHBondContact CE1-ND1 2.94Å; H246-H251 AromaticContact CE1-NE2 3.29Å; H246-H251 PolarHBondContact CE1-NE2 2.81Å; H246-H251 VanDerWaalsContact CE1-NE2 3.29Å; H246-H251 AromaticContact ND1-CG 3.78Å; H246-H251 AromaticContact ND1-ND1 3.88Å; H246-H251 AromaticContact NE2-CD2 3.42Å; H246-H251 PolarHBondContact NE2-CD2 2.99Å; H246-H251 AromaticContact NE2-CG 3.83Å; H246-H251 AromaticContact NE2-NE2 3.89Å; D248-H251 PolarHBondContact O-N 2.93Å; A249-H251 PolarHBondContact O-N 3.16Å; H251-D336 IonicContact CE1-OD1 2.79Å; H251-D336 PolarHBondContact CE1-OD1 2.81Å; H251-D336 VanDerWaalsContact CE1-OD1 3.32Å; H251-D336 VanDerWaalsContact NE2-CG 3.3Å; H251-D336 IonicContact NE2-OD1 3.91Å; H251-D336 PolarHBondContact NE2-OD1 2.88Å; H251-D336 IonicContact NE2-OD2 3.87Å; H251-D336 PolarHBondContact NE2-OD2 3.39Å; H251-H362 AromaticContact CD2-NE2 4Å; H251-H362 AromaticContact CE1-CE1 3.84Å; H251-H362 AromaticContact CE1-NE2 3.96Å; H251-H362 AromaticContact NE2-CE1 3.39Å; H251-H362 PolarHBondContact NE2-CE1 3.02Å; H251-H362 AromaticContact NE2-NE2 3.1Å; H251-H362 PolarHBondContact NE2-NE2 3.34Å
252	M	95.8	Very high	95.2	Very high	17 Å²	17	23.6 Å²	23.6	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-123.6	2.2	-175	71.6	166.5	-62.8	0	0	115.3	I244 N247 D248 E254 L255 L277 L280	I244-M252 HydrophobicContact CD1-CB 3.85Å; I244-M252 HydrophobicContact CG1-CB 4.21Å; I244-M252 HydrophobicContact CG2-CB 3.66Å; I244-M252 HydrophobicContact CG2-CG 4.38Å; I244-M252 HydrophobicContact CG2-SD 4.28Å; N247-M252 VanDerWaalsContact CA-SD 3.54Å; N247-M252 HydrophobicContact CB-SD 4.15Å; N247-M252 WeakPolarHBondContact O-CG 3.38Å; D248-M252 WeakPolarHBondContact O-CG 3.23Å; D248-M252 PolarHBondContact O-N 3.35Å; M252-E254 PolarHBondContact O-N 3.19Å; M252-E254 VanDerWaalsContact O-N 3.1Å; M252-L255 HydrophobicContact CE-CD2 3.91Å; M252-L255 WeakPolarHBondContact O-CB 3.18Å; M252-L255 PolarHBondContact O-N 2.9Å; M252-L277 HydrophobicContact CE-CD1 3.68Å; M252-L277 HydrophobicContact CE-CD2 3.68Å; M252-L277 HydrophobicContact CE-CG 4.3Å; M252-L277 HydrophobicContact SD-CD1 3.82Å; M252-L277 HydrophobicContact SD-CD2 3.72Å; M252-L277 HydrophobicContact SD-CG 4.4Å; M252-L280 HydrophobicContact CE-CD2 3.21Å
253	G	92.9	Very high	95.1	Very high	43 Å²	43	30.6 Å²	30.6	44%	0.443	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24	-174.5	0	0	0	0	0	114.2	G204 A249	G204-G253 PolarHBondContact O-N 3.04Å; A249-G253 WeakPolarHBondContact O-CA 3.47Å; A249-G253 PolarHBondContact O-N 3.12Å
254	E	94.3	Very high	95.1	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7.1	177.4	-61.6	-71.9	144.7	0	0	113.3	T203 G204 H221 L222 S223 M252 M256 N257 V258	T203-E254 WeakPolarHBondContact O-CB 3.32Å; G204-E254 PolarHBondContact O-N 2.87Å; H221-E254 VanDerWaalsContact CB-OE2 3.3Å; H221-E254 WeakPolarHBondContact CB-OE2 3.43Å; H221-E254 IonicContact CG-OE2 2.64Å; H221-E254 IonicContact ND1-OE2 3.99Å; L222-E254 HydrophobicContact CB-CG 4.1Å; L222-E254 VanDerWaalsContact CB-OE1 3.28Å; L222-E254 WeakPolarHBondContact CB-OE1 2.78Å; L222-E254 VanDerWaalsContact N-CD 3.26Å; L222-E254 PolarHBondContact N-OE1 3.24Å; L222-E254 PolarHBondContact N-OE2 2.86Å; L222-E254 VanDerWaalsContact N-OE2 3.11Å; S223-E254 WeakPolarHBondContact CB-OE2 3.38Å; S223-E254 PolarHBondContact N-OE2 3.18Å; S223-E254 PolarHBondContact OG-OE2 3.32Å; S223-E254 VanDerWaalsContact OG-OE2 3.13Å; M252-E254 PolarHBondContact O-N 3.19Å; M252-E254 VanDerWaalsContact O-N 3.1Å; E254-M256 PolarHBondContact O-N 2.93Å; E254-N257 PolarHBondContact O-N 3.42Å; E254-V258 WeakPolarHBondContact O-CG2 3.44Å; E254-V258 PolarHBondContact O-N 3.2Å
255	L	96.1	Very high	95.1	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-52.7	-49	-175.2	176.2	60.2	0	0	0	112.9	T203 L242 I244 M252 V258 I259 L267 L280 I284	T203-L255 HydrophobicContact CG2-CD1 4.45Å; T203-L255 PolarHBondContact OG1-N 2.94Å; T203-L255 VanDerWaalsContact OG1-N 3.11Å; L242-L255 HydrophobicContact CD1-CD1 3.89Å; L242-L255 HydrophobicContact CD2-CD1 3.69Å; L242-L255 HydrophobicContact CG-CD1 4.47Å; I244-L255 HydrophobicContact CD1-CD1 4.3Å; I244-L255 HydrophobicContact CG1-CD1 4.38Å; I244-L255 HydrophobicContact CG1-CD2 4.27Å; M252-L255 HydrophobicContact CE-CD2 3.91Å; M252-L255 WeakPolarHBondContact O-CB 3.18Å; M252-L255 PolarHBondContact O-N 2.9Å; L255-V258 PolarHBondContact O-N 3.25Å; L255-I259 HydrophobicContact CD1-CD1 3.73Å; L255-I259 HydrophobicContact CD1-CG1 4.19Å; L255-I259 HydrophobicContact CG-CD1 3.95Å; L255-I259 WeakPolarHBondContact O-CG1 3.22Å; L255-I259 PolarHBondContact O-N 2.85Å; L255-L267 HydrophobicContact CD1-CD1 4.09Å; L255-L267 HydrophobicContact CD2-CD1 4.5Å; L255-L267 HydrophobicContact CD2-CD2 4.17Å; L255-L280 HydrophobicContact CD2-CD2 4.1Å; L255-I284 HydrophobicContact CD2-CD1 4.49Å
256	M	94.7	Very high	95.1	Very high	48 Å²	48	36.4 Å²	36.4	24%	0.236	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-43.5	-178.2	-65.1	-53.9	-60.9	0	0	111.9	E254 V258 I259 D260 L280 S283 I284	E254-M256 PolarHBondContact O-N 2.93Å; M256-V258 VanDerWaalsContact C-N 3.26Å; M256-V258 PolarHBondContact O-N 2.94Å; M256-I259 PolarHBondContact O-N 2.99Å; M256-I259 VanDerWaalsContact O-N 3.16Å; M256-D260 WeakPolarHBondContact O-CB 3.24Å; M256-D260 VanDerWaalsContact O-CG 3.26Å; M256-D260 PolarHBondContact O-N 2.7Å; M256-L280 HydrophobicContact CG-CD1 3.46Å; M256-L280 VanDerWaalsContact CG-CD1 3.46Å; M256-L280 HydrophobicContact CG-CG 4.5Å; M256-L280 HydrophobicContact SD-CD1 3.61Å; M256-L280 HydrophobicContact SD-CG 4.12Å; M256-S283 WeakPolarHBondContact CE-OG 3.5Å; M256-I284 HydrophobicContact CE-CG1 4.06Å; M256-I284 HydrophobicContact SD-CD1 4.2Å; M256-I284 HydrophobicContact SD-CG1 3.7Å
257	N	94.3	Very high	95.2	Very high	17 Å²	17	36.4 Å²	36.4	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-35.5	178.8	-167.8	49.3	0	0	0	111.5	H221 S223 D224 E254 N261	H221-N257 HydrophobicContact CB-CB 4.22Å; H221-N257 WeakPolarHBondContact CB-ND2 3.4Å; H221-N257 VanDerWaalsContact CG-CG 3.47Å; S223-N257 PolarHBondContact OG-ND2 3.22Å; D224-N257 PolarHBondContact OD1-ND2 3.21Å; E254-N257 PolarHBondContact O-N 3.42Å; N257-N261 WeakPolarHBondContact O-CB 3.48Å; N257-N261 PolarHBondContact O-N 3.46Å; N257-N261 PolarHBondContact O-ND2 2.9Å; N257-N261 PolarHBondContact OD1-ND2 3.37Å
258	V	95.7	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-46.7	173	172.7	0	0	0	0	111.6	L200 T203 L227 I239 L242 E254 L255 M256 D260 N261 V262	L200-V258 HydrophobicContact CD2-CG1 4.04Å; T203-V258 HydrophobicContact CG2-CB 4.27Å; T203-V258 HydrophobicContact CG2-CG1 4.49Å; T203-V258 HydrophobicContact CG2-CG2 3.98Å; L227-V258 HydrophobicContact CD2-CG2 3.71Å; I239-V258 HydrophobicContact CD1-CG1 4Å; L242-V258 HydrophobicContact CD1-CG1 4.03Å; E254-V258 WeakPolarHBondContact O-CG2 3.44Å; E254-V258 PolarHBondContact O-N 3.2Å; L255-V258 PolarHBondContact O-N 3.25Å; M256-V258 VanDerWaalsContact C-N 3.26Å; M256-V258 PolarHBondContact O-N 2.94Å; V258-D260 VanDerWaalsContact C-N 3.31Å; V258-D260 PolarHBondContact O-N 2.97Å; V258-N261 PolarHBondContact O-N 2.64Å; V258-V262 PolarHBondContact O-N 2.97Å
259	I	95.8	Very high	95.5	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.097	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-38.5	178.8	-73.1	172.6	0	0	0	111.8	L255 M256 N261 V264 I284	L255-I259 HydrophobicContact CD1-CD1 3.73Å; L255-I259 HydrophobicContact CD1-CG1 4.19Å; L255-I259 HydrophobicContact CG-CD1 3.95Å; L255-I259 WeakPolarHBondContact O-CG1 3.22Å; L255-I259 PolarHBondContact O-N 2.85Å; M256-I259 PolarHBondContact O-N 2.99Å; M256-I259 VanDerWaalsContact O-N 3.16Å; I259-N261 VanDerWaalsContact C-N 3.33Å; I259-N261 PolarHBondContact O-N 3.27Å; I259-V264 HydrophobicContact CG1-CB 4.26Å; I259-V264 HydrophobicContact CG1-CG2 3.86Å; I259-I284 HydrophobicContact CD1-CD1 3.8Å; I259-I284 HydrophobicContact CD1-CG1 4Å; I259-I284 HydrophobicContact CD1-CG2 4.06Å
260	D	92.8	Very high	95.8	Very high	121 Å²	121	32.1 Å²	32.1	65%	0.647	17%	0.167	S	C	*	.	H	α-helix	trans	-72.8	-26	-178.3	-70.1	-19.5	0	0	0	112.6	M256 V258	M256-D260 WeakPolarHBondContact O-CB 3.24Å; M256-D260 VanDerWaalsContact O-CG 3.26Å; M256-D260 PolarHBondContact O-N 2.7Å; V258-D260 VanDerWaalsContact C-N 3.31Å; V258-D260 PolarHBondContact O-N 2.97Å
261	N	92.5	Very high	96	Very high	80 Å²	80	36.7 Å²	36.7	43%	0.428	19%	0.186	S	C	.	.	H	α-helix	trans	-105.4	-19	-175.8	-75.7	-87.7	0	0	0	114.6	L228 N257 V258 I259	L228-N261 HydrophobicContact CD1-CB 3.82Å; L228-N261 HydrophobicContact CD2-CB 4.02Å; N257-N261 WeakPolarHBondContact O-CB 3.48Å; N257-N261 PolarHBondContact O-N 3.46Å; N257-N261 PolarHBondContact O-ND2 2.9Å; N257-N261 PolarHBondContact OD1-ND2 3.37Å; V258-N261 PolarHBondContact O-N 2.64Å; I259-N261 VanDerWaalsContact C-N 3.33Å; I259-N261 PolarHBondContact O-N 3.27Å
262	V	92.8	Very high	96.1	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	19%	0.193	C	C	.	.	S	Bend	trans	-135.9	132.2	-179.6	-177.2	0	0	0	0	109	L228 L231 I239 V258 V264	L228-V262 HydrophobicContact CD2-CG2 3.68Å; L231-V262 HydrophobicContact CD1-CG2 4.16Å; I239-V262 HydrophobicContact CD1-CG1 4.04Å; I239-V262 HydrophobicContact CG1-CG1 4.04Å; V258-V262 PolarHBondContact O-N 2.97Å; V262-V264 PolarHBondContact O-N 2.94Å
263	K	96	Very high	96.1	Very high	148 Å²	148	36.5 Å²	36.5	64%	0.643	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	109.8	179.2	-177.8	174.8	-178.2	169.8	0	110.6	T237 K238 I239	T237-K263 PolarHBondContact O-N 3Å; K238-K263 CarbonylContact C-O 3.54Å; K238-K263 WeakPolarHBondContact CA-O 3.26Å; K238-K263 HydrophobicContact CB-CB 4.42Å; K238-K263 HydrophobicContact CG-CB 4.38Å; K238-K263 HydrophobicContact CG-CG 4.34Å; K238-K263 WeakPolarHBondContact CG-O 3.49Å; I239-K263 PolarHBondContact N-O 2.93Å
264	V	98.2	Very high	96.2	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.4	171.3	-176.7	0	0	0	0	109.2	I239 L242 I259 V262 T287	I239-V264 HydrophobicContact CB-CG2 4.34Å; I239-V264 HydrophobicContact CD1-CG2 4.44Å; I239-V264 WeakPolarHBondContact O-CA 3.5Å; L242-V264 HydrophobicContact CB-CG1 3.68Å; L242-V264 HydrophobicContact CD1-CG1 4.27Å; L242-V264 HydrophobicContact CD1-CG2 3.89Å; I259-V264 HydrophobicContact CG1-CB 4.26Å; I259-V264 HydrophobicContact CG1-CG2 3.86Å; V262-V264 PolarHBondContact O-N 2.94Å; V264-T287 HydrophobicContact CB-CG2 4.14Å; V264-T287 HydrophobicContact CG1-CG2 3.72Å; V264-T287 PolarHBondContact O-OG1 3.18Å; V264-T287 VanDerWaalsContact O-OG1 3.06Å
265	K	98.1	Very high	96.2	Very high	106 Å²	106	41.4 Å²	41.4	46%	0.461	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-47.5	179.3	-174.9	-175.2	174.5	-175.9	0	111.6	I239 K288	I239-K265 PolarHBondContact O-N 2.89Å; K265-K288 PolarHBondContact O-N 3.29Å
266	N	98.6	Very high	96	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.08	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131	-177.3	-54.4	-78.7	0	0	0	110	D240 L242 Y268 K288 H290	D240-N266 WeakPolarHBondContact O-CB 3.2Å; D240-N266 PolarHBondContact O-N 3.46Å; D240-N266 PolarHBondContact O-ND2 3.28Å; L242-N266 PolarHBondContact N-O 3.34Å; N266-Y268 HydrophobicContact CB-CD2 4.27Å; N266-Y268 HydrophobicContact CB-CE2 3.41Å; N266-Y268 VanDerWaalsContact CB-CE2 3.41Å; N266-K288 CarbonylContact C-O 3.56Å; N266-K288 VanDerWaalsContact CA-O 3.24Å; N266-K288 WeakPolarHBondContact CA-O 3.3Å; N266-H290 PolarHBondContact OD1-NE2 3.21Å
267	L	98.6	Very high	95.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.1	168.6	173.6	61.9	0	0	0	108.5	L242 I244 L255 L269 I284 T287 K288 I289 H290	L242-L267 HydrophobicContact CB-CD1 4.38Å; L242-L267 HydrophobicContact CD2-CD1 3.64Å; L242-L267 CarbonylContact O-C 3.56Å; L242-L267 VanDerWaalsContact O-CA 3.32Å; L242-L267 WeakPolarHBondContact O-CA 3.49Å; I244-L267 HydrophobicContact CG1-CD1 4.07Å; L255-L267 HydrophobicContact CD1-CD1 4.09Å; L255-L267 HydrophobicContact CD2-CD1 4.5Å; L255-L267 HydrophobicContact CD2-CD2 4.17Å; L267-L269 HydrophobicContact CD1-CD2 4.13Å; L267-L269 HydrophobicContact CD2-CD2 4.38Å; L267-L269 HydrophobicContact CG-CD2 4.16Å; L267-L269 HydrophobicContact CG-CG 4.3Å; L267-I284 HydrophobicContact CD2-CD1 3.64Å; L267-T287 HydrophobicContact CB-CG2 3.68Å; L267-K288 PolarHBondContact N-O 3.38Å; L267-I289 HydrophobicContact CB-CG1 4.32Å; L267-I289 HydrophobicContact CD2-CG1 4.3Å; L267-I289 CarbonylContact O-C 3.56Å; L267-I289 WeakPolarHBondContact O-CA 3.35Å; L267-H290 PolarHBondContact O-N 2.93Å
268	Y	98.7	Very high	95.7	Very high	22 Å²	22	51.5 Å²	51.5	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.3	177.7	-59.9	-94.6	0	0	0	109.5	H241 L242 L243 I244 N266 H290 V292 V298	H241-Y268 HydrophobicContact CB-CD2 4.29Å; H241-Y268 HydrophobicContact CB-CE2 3.74Å; H241-Y268 AromaticContact CG-CE2 3.96Å; H241-Y268 AromaticContact ND1-CE2 3.4Å; H241-Y268 WeakPolarHBondContact ND1-CE2 3.43Å; H241-Y268 AromaticContact ND1-CZ 3.59Å; H241-Y268 PolarHBondContact ND1-OH 3.39Å; L242-Y268 PolarHBondContact O-N 3.05Å; L243-Y268 WeakPolarHBondContact CA-O 3.35Å; L243-Y268 HydrophobicContact CG-CD2 4.15Å; L243-Y268 HydrophobicContact CG-CG 4.32Å; I244-Y268 PolarHBondContact N-O 2.91Å; N266-Y268 HydrophobicContact CB-CD2 4.27Å; N266-Y268 HydrophobicContact CB-CE2 3.41Å; N266-Y268 VanDerWaalsContact CB-CE2 3.41Å; Y268-H290 WeakPolarHBondContact CA-O 3.5Å; Y268-H290 HydrophobicContact CD1-CB 3.52Å; Y268-H290 HydrophobicContact CE1-CB 3.68Å; Y268-H290 AromaticContact CE1-CD2 3.81Å; Y268-H290 AromaticContact CE1-CG 3.71Å; Y268-H290 HydrophobicContact CG-CB 4.34Å; Y268-H290 AromaticContact CZ-CD2 3.93Å; Y268-V292 HydrophobicContact CD1-CG1 3.67Å; Y268-V292 HydrophobicContact CE1-CG1 4.43Å; Y268-V298 HydrophobicContact CD1-CG1 4.22Å; Y268-V298 HydrophobicContact CD1-CG2 3.76Å; Y268-V298 HydrophobicContact CD2-CG1 3.94Å; Y268-V298 HydrophobicContact CE1-CB 4.47Å; Y268-V298 HydrophobicContact CE1-CG1 3.85Å; Y268-V298 HydrophobicContact CE1-CG2 3.88Å; Y268-V298 HydrophobicContact CE2-CG1 3.53Å; Y268-V298 HydrophobicContact CG-CG1 4.27Å; Y268-V298 HydrophobicContact CG-CG2 4.19Å; Y268-V298 VanDerWaalsContact CZ-CG1 3.49Å
269	L	98.4	Very high	95.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.6	177.2	-56.2	176.8	0	0	0	109.1	I244 L267 K271 Q274 L277 I281 I289 H290 L291 V292	I244-L269 HydrophobicContact CB-CD2 3.82Å; I244-L269 HydrophobicContact CG1-CD2 4.18Å; I244-L269 HydrophobicContact CG2-CD2 4.45Å; L267-L269 HydrophobicContact CD1-CD2 4.13Å; L267-L269 HydrophobicContact CD2-CD2 4.38Å; L267-L269 HydrophobicContact CG-CD2 4.16Å; L267-L269 HydrophobicContact CG-CG 4.3Å; L269-K271 PolarHBondContact O-N 3.36Å; L269-Q274 HydrophobicContact CD1-CB 4.02Å; L269-L277 HydrophobicContact CD1-CD1 4.31Å; L269-L277 HydrophobicContact CD2-CD1 4.42Å; L269-I281 HydrophobicContact CD1-CD1 3.53Å; L269-I281 HydrophobicContact CD1-CG1 4.13Å; L269-I289 HydrophobicContact CD1-CG2 4.24Å; L269-H290 PolarHBondContact N-O 2.72Å; L269-L291 HydrophobicContact CB-CD2 4.18Å; L269-L291 WeakPolarHBondContact O-CA 3.4Å; L269-V292 WeakPolarHBondContact O-CG2 3.45Å; L269-V292 PolarHBondContact O-N 2.9Å
270	A	97.8	Very high	95.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	136.8	170.7	0	0	0	0	0	110.5	G272 S273 Q274 V292 P309 S312 L320	A270-G272 PolarHBondContact O-N 2.96Å; A270-S273 PolarHBondContact O-N 2.9Å; A270-S273 VanDerWaalsContact O-N 3.08Å; A270-S273 PolarHBondContact O-OG 2.89Å; A270-S273 VanDerWaalsContact O-OG 3.11Å; A270-Q274 PolarHBondContact O-OE1 3.26Å; A270-V292 CarbonylContact C-O 3.53Å; A270-V292 WeakPolarHBondContact CA-O 3.26Å; A270-P309 HydrophobicContact CB-CG 4.35Å; A270-S312 VanDerWaalsContact CB-CB 3.41Å; A270-L320 HydrophobicContact CB-CD2 3.76Å; A270-L320 HydrophobicContact CB-CG 3.92Å
271	K	97.9	Very high	95.4	Very high	104 Å²	104	54.4 Å²	54.4	45%	0.452	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	111.3	179.9	-175.6	-178.7	179.6	-179.8	0	110.1	L269 L291 V292 K293 K311 S312	L269-K271 PolarHBondContact O-N 3.36Å; K271-L291 HydrophobicContact CB-CB 4.31Å; K271-L291 HydrophobicContact CG-CB 4.45Å; K271-V292 PolarHBondContact N-O 3.18Å; K271-K293 HydrophobicContact CB-CB 4.3Å; K271-K293 HydrophobicContact CD-CD 4.34Å; K271-K311 CarbonylContact O-C 3.57Å; K271-K311 VanDerWaalsContact O-CA 3.31Å; K271-K311 WeakPolarHBondContact O-CA 3.4Å; K271-S312 PolarHBondContact O-N 2.95Å
272	G	97	Very high	95.4	Very high	13 Å²	13	57.1 Å²	57.1	13%	0.134	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	116.1	-33	-179.8	0	0	0	0	0	113	A270 Q274 V275 S312	A270-G272 PolarHBondContact O-N 2.96Å; G272-Q274 VanDerWaalsContact C-OE1 3.22Å; G272-Q274 VanDerWaalsContact CA-OE1 3.23Å; G272-Q274 PolarHBondContact O-N 3.46Å; G272-Q274 VanDerWaalsContact O-N 3.16Å; G272-V275 WeakPolarHBondContact O-CG2 3.44Å; G272-V275 PolarHBondContact O-N 2.85Å; G272-S312 CarbonylContact C-O 3.44Å; G272-S312 WeakPolarHBondContact CA-O 3.43Å
273	S	96.1	Very high	95.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.007	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-65	-23.7	-178	76.4	0	0	0	0	113	N247 A270 V275 E276 S312	N247-S273 PolarHBondContact ND2-O 2.86Å; N247-S273 VanDerWaalsContact ND2-O 3.16Å; A270-S273 PolarHBondContact O-N 2.9Å; A270-S273 VanDerWaalsContact O-N 3.08Å; A270-S273 PolarHBondContact O-OG 2.89Å; A270-S273 VanDerWaalsContact O-OG 3.11Å; S273-V275 PolarHBondContact O-N 2.96Å; S273-V275 VanDerWaalsContact O-N 3.09Å; S273-E276 PolarHBondContact O-N 3.03Å; S273-S312 WeakPolarHBondContact CB-OG 3.48Å; S273-S312 PolarHBondContact N-O 3.28Å
274	Q	95.4	Very high	95.4	Very high	49 Å²	49	53.2 Å²	53.2	23%	0.229	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63.1	-15.9	178.4	80.2	-74.8	-12.9	0	0	114.3	L269 A270 G272 L277 K278 I281 L291	L269-Q274 HydrophobicContact CD1-CB 4.02Å; A270-Q274 PolarHBondContact O-OE1 3.26Å; G272-Q274 VanDerWaalsContact C-OE1 3.22Å; G272-Q274 VanDerWaalsContact CA-OE1 3.23Å; G272-Q274 PolarHBondContact O-N 3.46Å; G272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-L277 CarbonylContact O-C 3.5Å; Q274-L277 PolarHBondContact O-N 2.8Å; Q274-K278 PolarHBondContact O-N 2.85Å; Q274-I281 HydrophobicContact CB-CD1 3.51Å; Q274-L291 HydrophobicContact CB-CD2 3.94Å; Q274-L291 HydrophobicContact CG-CD1 4.2Å; Q274-L291 HydrophobicContact CG-CD2 3.86Å
275	V	93.7	Very high	95	Very high	108 Å²	108	61.7 Å²	61.7	66%	0.655	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.7	-44	-178.1	172.6	0	0	0	0	110.7	G272 S273 L277	G272-V275 WeakPolarHBondContact O-CG2 3.44Å; G272-V275 PolarHBondContact O-N 2.85Å; S273-V275 PolarHBondContact O-N 2.96Å; S273-V275 VanDerWaalsContact O-N 3.09Å; V275-L277 VanDerWaalsContact C-N 3.33Å
276	E	92.1	Very high	94.8	Very high	125 Å²	125	60.6 Å²	60.6	58%	0.584	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-26.7	177.2	-59.8	-170.5	155.2	0	0	112.3	N247 S273 K278	N247-E276 PolarHBondContact ND2-OE2 3.28Å; S273-E276 PolarHBondContact O-N 3.03Å; E276-K278 VanDerWaalsContact C-N 3.29Å; E276-K278 PolarHBondContact O-N 2.91Å
277	L	92.2	Very high	94.8	Very high	20 Å²	20	60.7 Å²	60.7	11%	0.105	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	12.4	-178.9	-56.8	-177.5	0	0	0	113.8	N247 M252 L269 Q274 V275 T279 L280 I281	N247-L277 HydrophobicContact CB-CD2 4.47Å; N247-L277 WeakPolarHBondContact OD1-CD1 3.21Å; M252-L277 HydrophobicContact CE-CD1 3.68Å; M252-L277 HydrophobicContact CE-CD2 3.68Å; M252-L277 HydrophobicContact CE-CG 4.3Å; M252-L277 HydrophobicContact SD-CD1 3.82Å; M252-L277 HydrophobicContact SD-CD2 3.72Å; M252-L277 HydrophobicContact SD-CG 4.4Å; L269-L277 HydrophobicContact CD1-CD1 4.31Å; L269-L277 HydrophobicContact CD2-CD1 4.42Å; Q274-L277 CarbonylContact O-C 3.5Å; Q274-L277 PolarHBondContact O-N 2.8Å; V275-L277 VanDerWaalsContact C-N 3.33Å; L277-T279 VanDerWaalsContact C-N 3.34Å; L277-T279 PolarHBondContact O-N 3.2Å; L277-L280 HydrophobicContact CD2-CD2 4.28Å; L277-L280 WeakPolarHBondContact O-CB 3.47Å; L277-L280 PolarHBondContact O-N 2.8Å; L277-L280 VanDerWaalsContact O-N 3.08Å; L277-I281 HydrophobicContact CB-CD1 3.82Å; L277-I281 HydrophobicContact CB-CG1 4.14Å; L277-I281 WeakPolarHBondContact O-CB 3.5Å; L277-I281 WeakPolarHBondContact O-CG1 3.5Å; L277-I281 PolarHBondContact O-N 2.64Å
278	K	91.5	Very high	94.7	Very high	134 Å²	134	67 Å²	67	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-52	-48.5	-172.3	-173.4	179.9	179.6	-176.4	0	113.1	Q274 E276 Q282	Q274-K278 PolarHBondContact O-N 2.85Å; E276-K278 VanDerWaalsContact C-N 3.29Å; E276-K278 PolarHBondContact O-N 2.91Å; K278-Q282 VanDerWaalsContact O-CG 3.27Å; K278-Q282 WeakPolarHBondContact O-CG 3.46Å; K278-Q282 PolarHBondContact O-N 3.26Å; K278-Q282 VanDerWaalsContact O-N 3.13Å
279	T	91.5	Very high	94.7	Very high	117 Å²	117	68.6 Å²	68.6	72%	0.718	37%	0.365	S	S	*	.	H	α-helix	trans	-65.5	-42.6	-179.9	-53.2	0	0	0	0	111.7	L277 Q282 S283	L277-T279 VanDerWaalsContact C-N 3.34Å; L277-T279 PolarHBondContact O-N 3.2Å; T279-Q282 PolarHBondContact O-N 3.43Å; T279-S283 PolarHBondContact O-N 3.01Å
280	L	92.2	Very high	94.7	Very high	49 Å²	49	70.7 Å²	70.7	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-49.8	178.2	-173.4	73.4	0	0	0	110.9	M252 L255 M256 L277 Q282 S283 I284	M252-L280 HydrophobicContact CE-CD2 3.21Å; L255-L280 HydrophobicContact CD2-CD2 4.1Å; M256-L280 HydrophobicContact CG-CD1 3.46Å; M256-L280 VanDerWaalsContact CG-CD1 3.46Å; M256-L280 HydrophobicContact CG-CG 4.5Å; M256-L280 HydrophobicContact SD-CD1 3.61Å; M256-L280 HydrophobicContact SD-CG 4.12Å; L277-L280 HydrophobicContact CD2-CD2 4.28Å; L277-L280 WeakPolarHBondContact O-CB 3.47Å; L277-L280 PolarHBondContact O-N 2.8Å; L277-L280 VanDerWaalsContact O-N 3.08Å; L280-Q282 VanDerWaalsContact C-N 3.3Å; L280-Q282 PolarHBondContact O-N 3.27Å; L280-S283 WeakPolarHBondContact O-CB 3.31Å; L280-S283 PolarHBondContact O-N 3.23Å; L280-S283 PolarHBondContact O-OG 2.9Å; L280-I284 PolarHBondContact O-N 2.84Å
281	I	93.4	Very high	94.7	Very high	36 Å²	36	74.4 Å²	74.4	19%	0.185	39%	0.394	C	S	.	.	H	α-helix	trans	-58.2	-41.1	179.9	-76.9	169.8	0	0	0	112.1	L269 Q274 L277 S283 I284 I289	L269-I281 HydrophobicContact CD1-CD1 3.53Å; L269-I281 HydrophobicContact CD1-CG1 4.13Å; Q274-I281 HydrophobicContact CB-CD1 3.51Å; L277-I281 HydrophobicContact CB-CD1 3.82Å; L277-I281 HydrophobicContact CB-CG1 4.14Å; L277-I281 WeakPolarHBondContact O-CB 3.5Å; L277-I281 WeakPolarHBondContact O-CG1 3.5Å; L277-I281 PolarHBondContact O-N 2.64Å; I281-S283 PolarHBondContact O-N 2.8Å; I281-I284 PolarHBondContact O-N 3.03Å; I281-I289 HydrophobicContact CB-CD1 4.15Å; I281-I289 HydrophobicContact CG1-CD1 4.17Å; I281-I289 HydrophobicContact CG2-CD1 3.46Å; I281-I289 VanDerWaalsContact CG2-CD1 3.46Å
282	Q	92.9	Very high	94.8	Very high	136 Å²	136	69.9 Å²	69.9	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-64.1	-26.1	178.2	-75.7	174.3	-11.7	0	0	113.3	K278 T279 L280	K278-Q282 VanDerWaalsContact O-CG 3.27Å; K278-Q282 WeakPolarHBondContact O-CG 3.46Å; K278-Q282 PolarHBondContact O-N 3.26Å; K278-Q282 VanDerWaalsContact O-N 3.13Å; T279-Q282 PolarHBondContact O-N 3.43Å; L280-Q282 VanDerWaalsContact C-N 3.3Å; L280-Q282 PolarHBondContact O-N 3.27Å
283	S	93.5	Very high	94.8	Very high	59 Å²	59	73.5 Å²	73.5	41%	0.413	39%	0.387	S	S	.	.	H	α-helix	trans	-80.5	-20.3	178.3	75.7	0	0	0	0	113.8	M256 T279 L280 I281 K285	M256-S283 WeakPolarHBondContact CE-OG 3.5Å; T279-S283 PolarHBondContact O-N 3.01Å; L280-S283 WeakPolarHBondContact O-CB 3.31Å; L280-S283 PolarHBondContact O-N 3.23Å; L280-S283 PolarHBondContact O-OG 2.9Å; I281-S283 PolarHBondContact O-N 2.8Å; S283-K285 PolarHBondContact O-N 2.91Å
284	I	94.6	Very high	94.9	Very high	18 Å²	18	75.7 Å²	75.7	9%	0.092	40%	0.397	C	S	.	.			trans	-74	119.6	-177.4	-65.5	172.1	0	0	0	109.8	L255 M256 I259 L267 L280 I281 T287	L255-I284 HydrophobicContact CD2-CD1 4.49Å; M256-I284 HydrophobicContact CE-CG1 4.06Å; M256-I284 HydrophobicContact SD-CD1 4.2Å; M256-I284 HydrophobicContact SD-CG1 3.7Å; I259-I284 HydrophobicContact CD1-CD1 3.8Å; I259-I284 HydrophobicContact CD1-CG1 4Å; I259-I284 HydrophobicContact CD1-CG2 4.06Å; L267-I284 HydrophobicContact CD2-CD1 3.64Å; L280-I284 PolarHBondContact O-N 2.84Å; I281-I284 PolarHBondContact O-N 3.03Å; I284-T287 HydrophobicContact CG2-CG2 4.4Å
285	K	91.3	Very high	95.1	Very high	181 Å²	181	76.1 Å²	76.1	79%	0.787	42%	0.415	S	S	*	.			trans	-111.4	146.8	177.3	-64.3	179.8	-176.1	176.6	0	111.1	S283 T287	S283-K285 PolarHBondContact O-N 2.91Å; K285-T287 PolarHBondContact O-N 3.35Å; K285-T287 VanDerWaalsContact O-N 3.1Å
286	G	93.9	Very high	95.3	Very high	83 Å²	83	73.6 Å²	73.6	86%	0.856	40%	0.397	S	S	*	.	S	Bend	trans	72.6	-3.1	174.3	0	0	0	0	0	116.2
287	T	97.8	Very high	95.6	Very high	17 Å²	17	71 Å²	71	10%	0.104	39%	0.39	C	S	.	.			trans	-107.8	130.7	176	-57.6	0	0	0	0	109.8	V264 L267 I284 K285	V264-T287 HydrophobicContact CB-CG2 4.14Å; V264-T287 HydrophobicContact CG1-CG2 3.72Å; V264-T287 PolarHBondContact O-OG1 3.18Å; V264-T287 VanDerWaalsContact O-OG1 3.06Å; L267-T287 HydrophobicContact CB-CG2 3.68Å; I284-T287 HydrophobicContact CG2-CG2 4.4Å; K285-T287 PolarHBondContact O-N 3.35Å; K285-T287 VanDerWaalsContact O-N 3.1Å
288	K	97.9	Very high	95.9	Very high	135 Å²	135	70.1 Å²	70.1	59%	0.587	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.3	175.5	-173.7	175.5	177.1	177.4	0	110.2	K265 N266 L267 H290	K265-K288 PolarHBondContact O-N 3.29Å; N266-K288 CarbonylContact C-O 3.56Å; N266-K288 VanDerWaalsContact CA-O 3.24Å; N266-K288 WeakPolarHBondContact CA-O 3.3Å; L267-K288 PolarHBondContact N-O 3.38Å; K288-H290 VanDerWaalsContact CE-CE1 3.46Å; K288-H290 WeakPolarHBondContact CE-CE1 3.27Å; K288-H290 PolarHBondContact O-CD2 2.91Å; K288-H290 VanDerWaalsContact O-CD2 3.3Å
289	I	97.9	Very high	96.1	Very high	54 Å²	54	64.1 Å²	64.1	28%	0.277	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.6	-179.8	-58.7	172.2	0	0	0	109.7	L267 L269 I281	L267-I289 HydrophobicContact CB-CG1 4.32Å; L267-I289 HydrophobicContact CD2-CG1 4.3Å; L267-I289 CarbonylContact O-C 3.56Å; L267-I289 WeakPolarHBondContact O-CA 3.35Å; L269-I289 HydrophobicContact CD1-CG2 4.24Å; I281-I289 HydrophobicContact CB-CD1 4.15Å; I281-I289 HydrophobicContact CG1-CD1 4.17Å; I281-I289 HydrophobicContact CG2-CD1 3.46Å; I281-I289 VanDerWaalsContact CG2-CD1 3.46Å
290	H	98.3	Very high	96	Very high	46 Å²	46	64 Å²	64	21%	0.213	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.4	179.1	-55.3	-101.6	0	0	0	109.6	N266 L267 Y268 L269 K288	N266-H290 PolarHBondContact OD1-NE2 3.21Å; L267-H290 PolarHBondContact O-N 2.93Å; Y268-H290 WeakPolarHBondContact CA-O 3.5Å; Y268-H290 HydrophobicContact CD1-CB 3.52Å; Y268-H290 HydrophobicContact CE1-CB 3.68Å; Y268-H290 AromaticContact CE1-CD2 3.81Å; Y268-H290 AromaticContact CE1-CG 3.71Å; Y268-H290 HydrophobicContact CG-CB 4.34Å; Y268-H290 AromaticContact CZ-CD2 3.93Å; L269-H290 PolarHBondContact N-O 2.72Å; K288-H290 VanDerWaalsContact CE-CE1 3.46Å; K288-H290 WeakPolarHBondContact CE-CE1 3.27Å; K288-H290 PolarHBondContact O-CD2 2.91Å; K288-H290 VanDerWaalsContact O-CD2 3.3Å
291	L	98.3	Very high	95.7	Very high	78 Å²	78	68.5 Å²	68.5	41%	0.408	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.9	173.8	-56.2	-177.9	0	0	0	108.5	L269 K271 Q274	L269-L291 HydrophobicContact CB-CD2 4.18Å; L269-L291 WeakPolarHBondContact O-CA 3.4Å; K271-L291 HydrophobicContact CB-CB 4.31Å; K271-L291 HydrophobicContact CG-CB 4.45Å; Q274-L291 HydrophobicContact CB-CD2 3.94Å; Q274-L291 HydrophobicContact CG-CD1 4.2Å; Q274-L291 HydrophobicContact CG-CD2 3.86Å
292	V	98.5	Very high	95.7	Very high	9 Å²	9	67.6 Å²	67.6	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154	-177.9	-68.7	0	0	0	0	111.6	Y268 L269 A270 K271 D296 V298 I306 L320	Y268-V292 HydrophobicContact CD1-CG1 3.67Å; Y268-V292 HydrophobicContact CE1-CG1 4.43Å; L269-V292 WeakPolarHBondContact O-CG2 3.45Å; L269-V292 PolarHBondContact O-N 2.9Å; A270-V292 CarbonylContact C-O 3.53Å; A270-V292 WeakPolarHBondContact CA-O 3.26Å; K271-V292 PolarHBondContact N-O 3.18Å; V292-D296 WeakPolarHBondContact CA-OD2 3.37Å; V292-D296 HydrophobicContact CB-CB 4.35Å; V292-D296 HydrophobicContact CG1-CB 4.42Å; V292-V298 HydrophobicContact CG1-CG2 4.1Å; V292-I306 HydrophobicContact CB-CG1 4.29Å; V292-I306 HydrophobicContact CG2-CG1 4.37Å; V292-L320 HydrophobicContact CG2-CD1 3.88Å; V292-L320 HydrophobicContact CG2-CD2 3.93Å
293	K	98.4	Very high	95.8	Very high	88 Å²	88	66.2 Å²	66.2	38%	0.383	36%	0.362	S	S	.	.			trans	-144.7	173.4	179.2	57.7	169.6	-177.2	165.5	0	110.7	K271 G295 D296 I306 P309 E310	K271-K293 HydrophobicContact CB-CB 4.3Å; K271-K293 HydrophobicContact CD-CD 4.34Å; K293-G295 PolarHBondContact O-N 3.35Å; K293-D296 WeakPolarHBondContact CG-OD2 2.99Å; K293-D296 PolarHBondContact N-OD2 2.97Å; K293-D296 VanDerWaalsContact O-CB 3.27Å; K293-D296 WeakPolarHBondContact O-CB 3.26Å; K293-D296 PolarHBondContact O-N 2.98Å; K293-I306 WeakPolarHBondContact O-CB 3.5Å; K293-I306 WeakPolarHBondContact O-CG2 3.28Å; K293-P309 CarbonylContact C-O 3.58Å; K293-P309 VanDerWaalsContact CA-O 3.24Å; K293-P309 WeakPolarHBondContact CA-O 3.29Å; K293-P309 WeakPolarHBondContact CB-O 3.46Å; K293-E310 WeakPolarHBondContact CB-O 3.49Å
294	K	98.3	Very high	96.1	Very high	47 Å²	47	63.4 Å²	63.4	20%	0.204	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	129.6	172.9	-177.4	177.7	74.1	-179	0	111	I306 L307 P309 E310 N348 Y349	K294-I306 WeakPolarHBondContact CA-O 3.45Å; K294-L307 WeakPolarHBondContact CD-O 3.28Å; K294-L307 VanDerWaalsContact CG-O 3.31Å; K294-L307 WeakPolarHBondContact CG-O 3.18Å; K294-P309 PolarHBondContact N-O 2.75Å; K294-E310 HydrophobicContact CB-CG 4.03Å; K294-E310 HydrophobicContact CD-CG 4.39Å; K294-E310 WeakPolarHBondContact CE-OE1 3.19Å; K294-E310 IonicContact NZ-OE1 3.88Å; K294-E310 PolarHBondContact NZ-OE1 2.93Å; K294-N348 PolarHBondContact NZ-ND2 3.37Å; K294-Y349 HydrophobicContact CD-CE2 4.28Å; K294-Y349 WeakPolarHBondContact CG-OH 3.08Å
295	G	98	Very high	96.3	Very high	59 Å²	59	66.8 Å²	66.8	61%	0.608	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-15.9	-179.1	0	0	0	0	0	114.3	K293 I306	K293-G295 PolarHBondContact O-N 3.35Å; G295-I306 PolarHBondContact N-O 2.89Å
296	D	98.6	Very high	96.6	Very high	55 Å²	55	58.1 Å²	58.1	29%	0.294	32%	0.32	S	S	.	.			trans	-72.9	162.5	175.2	-65.2	-24.9	0	0	0	111.5	V292 K293 I306	V292-D296 WeakPolarHBondContact CA-OD2 3.37Å; V292-D296 HydrophobicContact CB-CB 4.35Å; V292-D296 HydrophobicContact CG1-CB 4.42Å; K293-D296 WeakPolarHBondContact CG-OD2 2.99Å; K293-D296 PolarHBondContact N-OD2 2.97Å; K293-D296 VanDerWaalsContact O-CB 3.27Å; K293-D296 WeakPolarHBondContact O-CB 3.26Å; K293-D296 PolarHBondContact O-N 2.98Å; D296-I306 HydrophobicContact CB-CG1 4.33Å; D296-I306 PolarHBondContact O-N 3.42Å
297	T	98.5	Very high	96.8	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.423	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.7	175.1	-60.9	0	0	0	0	110.4	K303 V304	T297-K303 HydrophobicContact CG2-CB 3.71Å; T297-K303 HydrophobicContact CG2-CD 3.51Å; T297-K303 HydrophobicContact CG2-CG 4.21Å; T297-V304 CarbonylContact C-O 3.53Å; T297-V304 WeakPolarHBondContact CA-O 3.15Å
298	V	98.3	Very high	96.9	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.1	178	-179.1	0	0	0	0	109.9	F199 H241 L243 Y268 V292 V304 I306	F199-V298 HydrophobicContact CE1-CG1 4.08Å; H241-V298 HydrophobicContact CB-CG1 4.01Å; L243-V298 HydrophobicContact CD2-CB 4.44Å; L243-V298 HydrophobicContact CD2-CG2 4.15Å; Y268-V298 HydrophobicContact CD1-CG1 4.22Å; Y268-V298 HydrophobicContact CD1-CG2 3.76Å; Y268-V298 HydrophobicContact CD2-CG1 3.94Å; Y268-V298 HydrophobicContact CE1-CB 4.47Å; Y268-V298 HydrophobicContact CE1-CG1 3.85Å; Y268-V298 HydrophobicContact CE1-CG2 3.88Å; Y268-V298 HydrophobicContact CE2-CG1 3.53Å; Y268-V298 HydrophobicContact CG-CG1 4.27Å; Y268-V298 HydrophobicContact CG-CG2 4.19Å; Y268-V298 VanDerWaalsContact CZ-CG1 3.49Å; V292-V298 HydrophobicContact CG1-CG2 4.1Å; V298-V304 HydrophobicContact CB-CB 4.48Å; V298-V304 PolarHBondContact N-O 2.9Å; V298-V304 PolarHBondContact O-N 3.3Å; V298-I306 HydrophobicContact CG2-CD1 4.24Å; V298-I306 HydrophobicContact CG2-CG1 4.4Å
299	G	95.9	Very high	96.9	Very high	8 Å²	8	48.5 Å²	48.5	8%	0.082	26%	0.256	C	S	.	.			trans	94.1	154.2	179.7	0	0	0	0	0	114.7	L302 K303	G299-L302 CarbonylContact C-O 3.45Å; G299-L302 WeakPolarHBondContact CA-O 3.09Å; G299-K303 WeakPolarHBondContact O-CD 3.33Å; G299-K303 PolarHBondContact O-NZ 3.2Å
300	N	88.9	Confident	96.8	Very high	115 Å²	115	51.8 Å²	51.8	62%	0.615	27%	0.27	S	S	*	.	S	Bend	trans	-97.8	-44.4	-179.9	-63.5	-52.8	0	0	0	111.9	E197 K303	E197-N300 WeakPolarHBondContact OE1-CB 3.34Å; E197-N300 PolarHBondContact OE1-ND2 3.28Å; E197-N300 WeakPolarHBondContact OE2-CA 3.47Å; E197-N300 PolarHBondContact OE2-N 3.44Å; N300-K303 WeakPolarHBondContact O-CE 3.44Å
301	K	86.8	Confident	96.6	Very high	142 Å²	142	57.3 Å²	57.3	62%	0.617	29%	0.294	S	S	*	.	S	Bend	trans	-93.4	-58.2	-178.7	-62.5	-173.6	-178.2	-178.2	0	111.6	Q196 E197	Q196-K301 HydrophobicContact CB-CD 4.29Å; Q196-K301 HydrophobicContact CG-CD 3.79Å; E197-K301 PolarHBondContact OE2-N 2.83Å
302	L	92.9	Very high	96.5	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.094	28%	0.275	C	S	.	.	S	Bend	trans	-82.9	118.9	166.2	177.4	64.7	0	0	0	107.6	I190 P192 F199 G299 V304 F324 I326	I190-L302 HydrophobicContact CG2-CD2 3.74Å; P192-L302 HydrophobicContact CG-CB 4.4Å; P192-L302 HydrophobicContact CG-CD2 4.36Å; F199-L302 HydrophobicContact CD2-CD2 3.97Å; F199-L302 HydrophobicContact CE2-CB 3.88Å; F199-L302 HydrophobicContact CE2-CD2 3.75Å; F199-L302 HydrophobicContact CE2-CG 4.25Å; F199-L302 HydrophobicContact CZ-CB 4.04Å; F199-L302 HydrophobicContact CZ-CD2 4.21Å; F199-L302 HydrophobicContact CZ-CG 4.34Å; G299-L302 CarbonylContact C-O 3.45Å; G299-L302 WeakPolarHBondContact CA-O 3.09Å; L302-V304 HydrophobicContact CD2-CG2 4Å; L302-V304 HydrophobicContact CG-CG2 4.01Å; L302-F324 HydrophobicContact CD1-CB 4.29Å; L302-F324 HydrophobicContact CD1-CD2 4.38Å; L302-I326 HydrophobicContact CD1-CD1 3.71Å; L302-I326 HydrophobicContact CD1-CG1 3.5Å; L302-I326 VanDerWaalsContact CD1-CG1 3.5Å; L302-I326 HydrophobicContact CD2-CD1 3.71Å; L302-I326 HydrophobicContact CD2-CG1 4.46Å; L302-I326 HydrophobicContact CG-CD1 4.37Å
303	K	95.9	Very high	96.4	Very high	107 Å²	107	57.2 Å²	57.2	47%	0.465	30%	0.297	S	S	.	.			trans	-94.1	99	178.1	-67.1	-71.5	175.6	-169.1	0	109	T297 G299 N300	T297-K303 HydrophobicContact CG2-CB 3.71Å; T297-K303 HydrophobicContact CG2-CD 3.51Å; T297-K303 HydrophobicContact CG2-CG 4.21Å; G299-K303 WeakPolarHBondContact O-CD 3.33Å; G299-K303 PolarHBondContact O-NZ 3.2Å; N300-K303 WeakPolarHBondContact O-CE 3.44Å
304	V	98.6	Very high	96.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.2	174.2	-179.6	0	0	0	0	108.5	F199 T297 V298 L302 T322 F324	F199-V304 HydrophobicContact CD1-CG2 3.87Å; F199-V304 HydrophobicContact CE1-CB 4.34Å; F199-V304 HydrophobicContact CE1-CG2 3.62Å; F199-V304 HydrophobicContact CZ-CG2 4.19Å; T297-V304 CarbonylContact C-O 3.53Å; T297-V304 WeakPolarHBondContact CA-O 3.15Å; V298-V304 HydrophobicContact CB-CB 4.48Å; V298-V304 PolarHBondContact N-O 2.9Å; V298-V304 PolarHBondContact O-N 3.3Å; L302-V304 HydrophobicContact CD2-CG2 4Å; L302-V304 HydrophobicContact CG-CG2 4.01Å; V304-T322 HydrophobicContact CG1-CG2 4.09Å; V304-F324 HydrophobicContact CG1-CD1 4.19Å; V304-F324 HydrophobicContact CG2-CB 4.32Å; V304-F324 HydrophobicContact CG2-CD1 4.21Å; V304-F324 HydrophobicContact CG2-CG 4.4Å
305	Q	98.7	Very high	96	Very high	88 Å²	88	55.7 Å²	55.7	41%	0.411	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.7	-179.8	-60.6	178.3	20.3	0	0	110.3	L307 T322 Y323	Q305-L307 HydrophobicContact CB-CD2 4.2Å; Q305-T322 WeakPolarHBondContact O-CA 3.45Å; Q305-Y323 WeakPolarHBondContact CB-O 3.2Å; Q305-Y323 PolarHBondContact N-O 3.01Å; Q305-Y323 PolarHBondContact O-N 2.83Å
306	I	98.7	Very high	95.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115	173.9	-51.4	-54.8	0	0	0	108.3	L243 V292 K293 K294 G295 D296 V298 S308 L320 T322	L243-I306 HydrophobicContact CD2-CD1 4.12Å; V292-I306 HydrophobicContact CB-CG1 4.29Å; V292-I306 HydrophobicContact CG2-CG1 4.37Å; K293-I306 WeakPolarHBondContact O-CB 3.5Å; K293-I306 WeakPolarHBondContact O-CG2 3.28Å; K294-I306 WeakPolarHBondContact CA-O 3.45Å; G295-I306 PolarHBondContact N-O 2.89Å; D296-I306 HydrophobicContact CB-CG1 4.33Å; D296-I306 PolarHBondContact O-N 3.42Å; V298-I306 HydrophobicContact CG2-CD1 4.24Å; V298-I306 HydrophobicContact CG2-CG1 4.4Å; I306-S308 VanDerWaalsContact CG2-O 3.3Å; I306-S308 WeakPolarHBondContact CG2-O 3.41Å; I306-L320 HydrophobicContact CG2-CD2 3.77Å; I306-T322 HydrophobicContact CD1-CG2 3.94Å
307	L	98.6	Very high	95.7	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-18.5	-177.1	-54.2	-170.4	0	0	0	113.2	K294 Q305 V321 Y323 L332 L345 Y349 L352	K294-L307 WeakPolarHBondContact CD-O 3.28Å; K294-L307 VanDerWaalsContact CG-O 3.31Å; K294-L307 WeakPolarHBondContact CG-O 3.18Å; Q305-L307 HydrophobicContact CB-CD2 4.2Å; L307-V321 HydrophobicContact CB-CB 4.22Å; L307-V321 HydrophobicContact CB-CG1 4.02Å; L307-V321 HydrophobicContact CD1-CG1 4.41Å; L307-V321 PolarHBondContact N-O 3.42Å; L307-Y323 HydrophobicContact CD1-CG 4.1Å; L307-L332 HydrophobicContact CD1-CD1 4.08Å; L307-L345 HydrophobicContact CB-CD1 3.55Å; L307-L345 HydrophobicContact CD1-CD1 3.99Å; L307-L345 HydrophobicContact CG-CD1 4.45Å; L307-Y349 HydrophobicContact CB-CD2 4.33Å; L307-Y349 HydrophobicContact CB-CE2 3.78Å; L307-Y349 HydrophobicContact CD2-CD1 4.45Å; L307-Y349 HydrophobicContact CD2-CE1 3.92Å; L307-Y349 HydrophobicContact CD2-CE2 4.05Å; L307-Y349 HydrophobicContact CG-CE2 4.37Å; L307-Y349 WeakPolarHBondContact O-CE2 3.49Å; L307-L352 HydrophobicContact CD1-CD1 4.04Å; L307-L352 HydrophobicContact CD1-CD2 4.07Å
308	S	98.2	Very high	95.5	Very high	18 Å²	18	51.6 Å²	51.6	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	156	176.9	-166.8	0	0	0	0	109.4	I306 L320 V321	I306-S308 VanDerWaalsContact CG2-O 3.3Å; I306-S308 WeakPolarHBondContact CG2-O 3.41Å; S308-L320 WeakPolarHBondContact O-CA 3.5Å; S308-V321 PolarHBondContact O-N 3.05Å
309	P	97.9	Very high	95.5	Very high	10 Å²	10	51.5 Å²	51.5	7%	0.065	25%	0.253	C	S	.	.			cis	-96.8	176.8	-13.6	41.9	-38.2	0	0	0	111.3	A270 K293 K294 K311 D318	A270-P309 HydrophobicContact CB-CG 4.35Å; K293-P309 CarbonylContact C-O 3.58Å; K293-P309 VanDerWaalsContact CA-O 3.24Å; K293-P309 WeakPolarHBondContact CA-O 3.29Å; K293-P309 WeakPolarHBondContact CB-O 3.46Å; K294-P309 PolarHBondContact N-O 2.75Å; P309-K311 WeakPolarHBondContact CB-O 3.44Å; P309-K311 WeakPolarHBondContact CG-O 3.49Å; P309-D318 HydrophobicContact CB-CB 4.14Å; P309-D318 WeakPolarHBondContact CD-O 3.36Å; P309-D318 HydrophobicContact CG-CB 4.17Å; P309-D318 WeakPolarHBondContact CG-O 3.5Å
310	E	95.6	Very high	95.6	Very high	123 Å²	123	51.1 Å²	51.1	58%	0.575	25%	0.249	S	C	*	.	S	Bend	trans	-74.6	-32.2	168.1	-71.1	-175.1	-172.5	0	0	112.7	K293 K294	K293-E310 WeakPolarHBondContact CB-O 3.49Å; K294-E310 HydrophobicContact CB-CG 4.03Å; K294-E310 HydrophobicContact CD-CG 4.39Å; K294-E310 WeakPolarHBondContact CE-OE1 3.19Å; K294-E310 IonicContact NZ-OE1 3.88Å; K294-E310 PolarHBondContact NZ-OE1 2.93Å
311	K	94.8	Very high	96	Very high	162 Å²	162	45.7 Å²	45.7	70%	0.704	22%	0.22	S	C	*	.	S	Bend	trans	-152.1	145.4	176.4	-174.1	-178.7	176.8	-170.5	0	108.2	K271 P309	K271-K311 CarbonylContact O-C 3.57Å; K271-K311 VanDerWaalsContact O-CA 3.31Å; K271-K311 WeakPolarHBondContact O-CA 3.4Å; P309-K311 WeakPolarHBondContact CB-O 3.44Å; P309-K311 WeakPolarHBondContact CG-O 3.49Å
312	S	96.9	Very high	96.6	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	19%	0.191	C	C	.	.			trans	-127.6	143.7	-179.4	170.2	0	0	0	0	110.4	A270 K271 G272 S273 G314 D318	A270-S312 VanDerWaalsContact CB-CB 3.41Å; K271-S312 PolarHBondContact O-N 2.95Å; G272-S312 CarbonylContact C-O 3.44Å; G272-S312 WeakPolarHBondContact CA-O 3.43Å; S273-S312 WeakPolarHBondContact CB-OG 3.48Å; S273-S312 PolarHBondContact N-O 3.28Å; S312-G314 WeakPolarHBondContact OG-CA 3.29Å; S312-G314 PolarHBondContact OG-N 3.36Å; S312-D318 WeakPolarHBondContact CA-OD2 3.49Å; S312-D318 WeakPolarHBondContact CB-OD1 3.41Å; S312-D318 VanDerWaalsContact OG-CG 3.23Å; S312-D318 PolarHBondContact OG-OD1 2.91Å
313	T	95.7	Very high	96.9	Very high	83 Å²	83	39.6 Å²	39.6	51%	0.509	19%	0.192	S	C	.	.			trans	-91.1	-17.3	159.4	47.9	0	0	0	0	111.9	D318	T313-D318 PolarHBondContact N-OD2 3.03Å; T313-D318 PolarHBondContact OG1-OD2 3.01Å
314	G	93.4	Very high	97	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	111.1	18.7	177	0	0	0	0	0	113.3	N247 S312 D318	N247-G314 WeakPolarHBondContact CB-O 3.36Å; N247-G314 PolarHBondContact N-O 2.94Å; S312-G314 WeakPolarHBondContact OG-CA 3.29Å; S312-G314 PolarHBondContact OG-N 3.36Å; G314-D318 PolarHBondContact N-OD1 2.92Å; G314-D318 PolarHBondContact N-OD2 2.67Å
315	E	95.5	Very high	96.9	Very high	101 Å²	101	38.2 Å²	38.2	47%	0.472	19%	0.193	S	C	.	.	S	Bend	trans	-103.3	168.8	-171.9	-64.2	-75.8	166.8	0	0	110.6	D317 D318 S319	E315-D317 PolarHBondContact O-N 2.79Å; E315-D318 PolarHBondContact N-OD1 2.92Å; E315-D318 CarbonylContact O-C 3Å; E315-D318 PolarHBondContact O-N 3.23Å; E315-D318 VanDerWaalsContact O-N 3.14Å; E315-S319 PolarHBondContact O-N 3.48Å
316	N	94.1	Very high	96.7	Very high	21 Å²	21	34.6 Å²	34.6	11%	0.112	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-52.6	-51.5	-176.3	-69.5	-13.3	0	0	0	113.9	H246 D248 D318 S319 D336 L337 E338 H361	H246-N316 PolarHBondContact CD2-OD1 2.82Å; H246-N316 VanDerWaalsContact CD2-OD1 3.26Å; H246-N316 PolarHBondContact NE2-OD1 3.44Å; H246-N316 VanDerWaalsContact NE2-OD1 3.08Å; D248-N316 PolarHBondContact OD2-OD1 2.88Å; N316-D318 PolarHBondContact O-N 3.48Å; N316-D318 VanDerWaalsContact O-N 3.16Å; N316-S319 VanDerWaalsContact O-CB 3.27Å; N316-S319 WeakPolarHBondContact O-CB 3.28Å; N316-S319 PolarHBondContact O-N 2.74Å; N316-S319 PolarHBondContact O-OG 2.66Å; N316-D336 HydrophobicContact CB-CB 4.12Å; N316-D336 WeakPolarHBondContact CB-O 3.2Å; N316-D336 CarbonylContact O-C 3.52Å; N316-L337 WeakPolarHBondContact O-CA 3.38Å; N316-L337 PolarHBondContact O-N 3.45Å; N316-E338 HydrophobicContact CB-CG 4.34Å; N316-H361 PolarHBondContact ND2-CE1 3.34Å; N316-H361 VanDerWaalsContact ND2-CE1 3.26Å
317	D	95.2	Very high	96.3	Very high	56 Å²	56	35.8 Å²	35.8	30%	0.299	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-74.8	-3.4	-174.7	-156.6	40.1	0	0	0	114.3	E315 L337 E338 T340 G341	E315-D317 PolarHBondContact O-N 2.79Å; D317-L337 WeakPolarHBondContact O-CD1 3.25Å; D317-E338 HydrophobicContact CB-CB 4.21Å; D317-E338 HydrophobicContact CB-CG 4.21Å; D317-E338 WeakPolarHBondContact OD1-CA 3.48Å; D317-E338 WeakPolarHBondContact OD1-CB 3.36Å; D317-E338 PolarHBondContact OD1-N 3.15Å; D317-T340 PolarHBondContact OD1-OG1 2.8Å; D317-T340 WeakPolarHBondContact OD2-CB 3.27Å; D317-T340 PolarHBondContact OD2-OG1 3.41Å; D317-G341 VanDerWaalsContact OD1-CA 3.25Å; D317-G341 WeakPolarHBondContact OD1-CA 3.38Å; D317-G341 PolarHBondContact OD1-N 3.1Å; D317-G341 PolarHBondContact OD2-N 3.18Å
318	D	95.5	Very high	95.9	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.112	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-114.8	24.1	168.9	69.4	41.5	0	0	0	113.5	P309 S312 T313 G314 E315 N316	P309-D318 HydrophobicContact CB-CB 4.14Å; P309-D318 WeakPolarHBondContact CD-O 3.36Å; P309-D318 HydrophobicContact CG-CB 4.17Å; P309-D318 WeakPolarHBondContact CG-O 3.5Å; S312-D318 WeakPolarHBondContact CA-OD2 3.49Å; S312-D318 WeakPolarHBondContact CB-OD1 3.41Å; S312-D318 VanDerWaalsContact OG-CG 3.23Å; S312-D318 PolarHBondContact OG-OD1 2.91Å; T313-D318 PolarHBondContact N-OD2 3.03Å; T313-D318 PolarHBondContact OG1-OD2 3.01Å; G314-D318 PolarHBondContact N-OD1 2.92Å; G314-D318 PolarHBondContact N-OD2 2.67Å; E315-D318 PolarHBondContact N-OD1 2.92Å; E315-D318 CarbonylContact O-C 3Å; E315-D318 PolarHBondContact O-N 3.23Å; E315-D318 VanDerWaalsContact O-N 3.14Å; N316-D318 PolarHBondContact O-N 3.48Å; N316-D318 VanDerWaalsContact O-N 3.16Å
319	S	96.8	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.			trans	-51.8	142.9	171.4	-74.7	0	0	0	0	113.4	T245 H246 E315 N316 V321 D336	T245-S319 WeakPolarHBondContact O-CA 3.4Å; H246-S319 PolarHBondContact ND1-OG 3.38Å; E315-S319 PolarHBondContact O-N 3.48Å; N316-S319 VanDerWaalsContact O-CB 3.27Å; N316-S319 WeakPolarHBondContact O-CB 3.28Å; N316-S319 PolarHBondContact O-N 2.74Å; N316-S319 PolarHBondContact O-OG 2.66Å; S319-V321 PolarHBondContact O-N 3.24Å; S319-D336 PolarHBondContact OG-N 2.85Å
320	L	98.3	Very high	95.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.231	C	C	.	.			trans	-62.4	110.9	165.1	-67.5	178.1	0	0	0	110.8	I244 T245 A270 V292 I306 S308	I244-L320 VanDerWaalsContact O-CD1 3.31Å; I244-L320 WeakPolarHBondContact O-CD1 3.27Å; T245-L320 HydrophobicContact CG2-CB 4.37Å; T245-L320 PolarHBondContact O-N 3.47Å; A270-L320 HydrophobicContact CB-CD2 3.76Å; A270-L320 HydrophobicContact CB-CG 3.92Å; V292-L320 HydrophobicContact CG2-CD1 3.88Å; V292-L320 HydrophobicContact CG2-CD2 3.93Å; I306-L320 HydrophobicContact CG2-CD2 3.77Å; S308-L320 WeakPolarHBondContact O-CA 3.5Å
321	V	98.7	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120	169.1	179	0	0	0	0	108.3	L307 S308 S319 L332 L333 L337 L345	L307-V321 HydrophobicContact CB-CB 4.22Å; L307-V321 HydrophobicContact CB-CG1 4.02Å; L307-V321 HydrophobicContact CD1-CG1 4.41Å; L307-V321 PolarHBondContact N-O 3.42Å; S308-V321 PolarHBondContact O-N 3.05Å; S319-V321 PolarHBondContact O-N 3.24Å; V321-L332 HydrophobicContact CG1-CD1 3.59Å; V321-L333 WeakPolarHBondContact CA-O 3.47Å; V321-L337 HydrophobicContact CG2-CB 4.45Å; V321-L337 HydrophobicContact CG2-CD1 4.15Å; V321-L337 HydrophobicContact CG2-CD2 3.66Å; V321-L337 HydrophobicContact CG2-CG 4.34Å; V321-L345 HydrophobicContact CG1-CD1 4.09Å; V321-L345 HydrophobicContact CG1-CD2 4.08Å
322	T	98.8	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.4	179.7	66.6	0	0	0	0	111.7	I201 L243 V304 Q305 I306 L333	I201-T322 HydrophobicContact CD1-CG2 4.4Å; L243-T322 HydrophobicContact CD2-CG2 4.29Å; V304-T322 HydrophobicContact CG1-CG2 4.09Å; Q305-T322 WeakPolarHBondContact O-CA 3.45Å; I306-T322 HydrophobicContact CD1-CG2 3.94Å; T322-L333 PolarHBondContact N-O 3.31Å; T322-L333 PolarHBondContact O-N 2.9Å; T322-L333 WeakPolarHBondContact OG1-CB 3.39Å
323	Y	98.8	Very high	96.3	Very high	32 Å²	32	34 Å²	34	13%	0.125	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	132.7	179.1	-178.8	-98.1	0	0	0	111.5	Q305 L307 R330 F331 L332 L352 K353	Q305-Y323 WeakPolarHBondContact CB-O 3.2Å; Q305-Y323 PolarHBondContact N-O 3.01Å; Q305-Y323 PolarHBondContact O-N 2.83Å; L307-Y323 HydrophobicContact CD1-CG 4.1Å; Y323-R330 HydrophobicContact CE2-CB 4.01Å; Y323-R330 WeakPolarHBondContact OH-CD 3.21Å; Y323-R330 VanDerWaalsContact OH-CG 3.28Å; Y323-R330 WeakPolarHBondContact OH-CG 3.26Å; Y323-F331 WeakPolarHBondContact CA-O 3.47Å; Y323-F331 WeakPolarHBondContact CD2-O 3.24Å; Y323-L332 HydrophobicContact CD2-CB 4.24Å; Y323-L332 HydrophobicContact CD2-CD1 4.2Å; Y323-L352 HydrophobicContact CD2-CD1 3.84Å; Y323-L352 HydrophobicContact CE2-CD1 3.71Å; Y323-L352 HydrophobicContact CG-CD1 4.32Å; Y323-K353 WeakPolarHBondContact CE2-O 3.4Å; Y323-K353 PolarHBondContact OH-O 3.31Å
324	F	98.4	Very high	96.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	162.3	178.1	56.8	-88.2	0	0	0	111.4	V177 I190 L302 V304 I326 F331 L333	V177-F324 HydrophobicContact CG1-CZ 4.36Å; V177-F324 HydrophobicContact CG2-CE2 4.03Å; V177-F324 HydrophobicContact CG2-CZ 4.41Å; I190-F324 HydrophobicContact CD1-CD1 4.41Å; I190-F324 HydrophobicContact CD1-CE1 3.6Å; I190-F324 HydrophobicContact CD1-CE2 4.02Å; I190-F324 HydrophobicContact CD1-CZ 3.37Å; I190-F324 HydrophobicContact CG1-CZ 4.2Å; L302-F324 HydrophobicContact CD1-CB 4.29Å; L302-F324 HydrophobicContact CD1-CD2 4.38Å; V304-F324 HydrophobicContact CG1-CD1 4.19Å; V304-F324 HydrophobicContact CG2-CB 4.32Å; V304-F324 HydrophobicContact CG2-CD1 4.21Å; V304-F324 HydrophobicContact CG2-CG 4.4Å; F324-I326 HydrophobicContact CD2-CD1 3.73Å; F324-I326 HydrophobicContact CD2-CG1 3.87Å; F324-I326 HydrophobicContact CE2-CD1 3.7Å; F324-I326 HydrophobicContact CE2-CG1 4.24Å; F324-F331 HydrophobicContact CD1-CB 4.31Å; F324-F331 HydrophobicContact CD2-CB 4.05Å; F324-F331 HydrophobicContact CD2-CD2 4.06Å; F324-F331 HydrophobicContact CD2-CG 4.31Å; F324-F331 HydrophobicContact CE1-CB 3.86Å; F324-F331 HydrophobicContact CE2-CB 3.57Å; F324-F331 HydrophobicContact CE2-CD1 4.39Å; F324-F331 AromaticContact CE2-CD2 3.56Å; F324-F331 HydrophobicContact CE2-CD2 3.56Å; F324-F331 HydrophobicContact CE2-CE2 4.37Å; F324-F331 AromaticContact CE2-CG 3.58Å; F324-F331 HydrophobicContact CE2-CG 3.58Å; F324-F331 HydrophobicContact CG-CB 4.4Å; F324-F331 HydrophobicContact CZ-CB 3.46Å; F324-F331 VanDerWaalsContact CZ-CB 3.46Å; F324-F331 HydrophobicContact CZ-CD1 4.31Å; F324-F331 HydrophobicContact CZ-CD2 4.23Å; F324-F331 AromaticContact CZ-CG 3.76Å; F324-F331 HydrophobicContact CZ-CG 3.76Å; F324-F331 PolarHBondContact N-O 3.16Å; F324-F331 PolarHBondContact O-N 2.95Å; F324-L333 HydrophobicContact CE1-CD1 3.76Å; F324-L333 HydrophobicContact CE1-CG 4.18Å; F324-L333 HydrophobicContact CZ-CD1 4.24Å
325	T	96.8	Very high	96.7	Very high	76 Å²	76	30.1 Å²	30.1	47%	0.466	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.5	175.1	-58.9	0	0	0	0	109.9	Q329 R330	T325-Q329 CarbonylContact C-O 3.51Å; T325-Q329 WeakPolarHBondContact CA-O 3.34Å; T325-R330 HydrophobicContact CG2-CG 4.4Å
326	I	93.6	Very high	96.8	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.062	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.4	178.3	-78.1	178.8	0	0	0	108.6	V177 I190 L302 F324 H328 Q329 F331 W422	V177-I326 HydrophobicContact CG2-CD1 4.06Å; I190-I326 HydrophobicContact CG2-CD1 3.72Å; L302-I326 HydrophobicContact CD1-CD1 3.71Å; L302-I326 HydrophobicContact CD1-CG1 3.5Å; L302-I326 VanDerWaalsContact CD1-CG1 3.5Å; L302-I326 HydrophobicContact CD2-CD1 3.71Å; L302-I326 HydrophobicContact CD2-CG1 4.46Å; L302-I326 HydrophobicContact CG-CD1 4.37Å; F324-I326 HydrophobicContact CD2-CD1 3.73Å; F324-I326 HydrophobicContact CD2-CG1 3.87Å; F324-I326 HydrophobicContact CE2-CD1 3.7Å; F324-I326 HydrophobicContact CE2-CG1 4.24Å; I326-H328 PolarHBondContact O-N 3.14Å; I326-Q329 PolarHBondContact N-O 3.3Å; I326-Q329 WeakPolarHBondContact O-CB 3.41Å; I326-Q329 PolarHBondContact O-N 2.88Å; I326-F331 HydrophobicContact CB-CE2 4.42Å; I326-W422 HydrophobicContact CB-CH2 4.45Å; I326-W422 HydrophobicContact CD1-CH2 4.12Å; I326-W422 HydrophobicContact CG2-CD2 3.99Å; I326-W422 HydrophobicContact CG2-CE3 3.89Å; I326-W422 HydrophobicContact CG2-CH2 3.13Å; I326-W422 HydrophobicContact CG2-CZ2 3.14Å; I326-W422 HydrophobicContact CG2-CZ3 3.47Å; I326-W422 VanDerWaalsContact CG2-CZ3 3.47Å
327	N	91.3	Very high	96.9	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	45.7	178.7	-161	52.7	0	0	0	112.6	Q329 Y420 W422 K427	N327-Q329 PolarHBondContact O-N 2.89Å; N327-Q329 VanDerWaalsContact O-N 3.08Å; N327-Y420 HydrophobicContact CB-CE1 4.28Å; N327-Y420 PolarHBondContact ND2-OH 3.2Å; N327-W422 HydrophobicContact CB-CB 4.18Å; N327-W422 HydrophobicContact CB-CD2 3.99Å; N327-W422 HydrophobicContact CB-CG 3.65Å; N327-W422 VanDerWaalsContact CG-CD1 3.46Å; N327-W422 VanDerWaalsContact ND2-CB 3.32Å; N327-W422 WeakPolarHBondContact ND2-CB 3.47Å; N327-K427 PolarHBondContact ND2-O 3.04Å; N327-K427 PolarHBondContact OD1-O 3.33Å
328	H	90.4	Very high	97	Very high	161 Å²	161	24.6 Å²	24.6	75%	0.745	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	12.1	-176.2	-51.6	-79.4	0	0	0	115.9	I326	I326-H328 PolarHBondContact O-N 3.14Å
329	Q	97	Very high	97.1	Very high	39 Å²	39	26.1 Å²	26.1	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	172.9	-58.2	-66.6	-8.9	0	0	109.4	T325 I326 N327 F331 F356 Y420	T325-Q329 CarbonylContact C-O 3.51Å; T325-Q329 WeakPolarHBondContact CA-O 3.34Å; I326-Q329 PolarHBondContact N-O 3.3Å; I326-Q329 WeakPolarHBondContact O-CB 3.41Å; I326-Q329 PolarHBondContact O-N 2.88Å; N327-Q329 PolarHBondContact O-N 2.89Å; N327-Q329 VanDerWaalsContact O-N 3.08Å; Q329-F331 HydrophobicContact CB-CD2 4.46Å; Q329-F331 HydrophobicContact CB-CE2 3.74Å; Q329-F331 HydrophobicContact CB-CZ 4.34Å; Q329-F356 HydrophobicContact CB-CD2 4.07Å; Q329-F356 HydrophobicContact CB-CE2 3.9Å; Q329-F356 HydrophobicContact CG-CE2 3.89Å; Q329-Y420 HydrophobicContact CB-CE1 4.46Å; Q329-Y420 HydrophobicContact CG-CE1 3.99Å; Q329-Y420 HydrophobicContact CG-CE2 4.34Å; Q329-Y420 WeakPolarHBondContact CG-OH 3.38Å
330	R	98.4	Very high	97.1	Very high	81 Å²	81	29.7 Å²	29.7	31%	0.306	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.4	174.6	-63.9	160.2	-65.6	-178.5	6.6	109.2	Y323 T325 T354 D355 F356	Y323-R330 HydrophobicContact CE2-CB 4.01Å; Y323-R330 WeakPolarHBondContact OH-CD 3.21Å; Y323-R330 VanDerWaalsContact OH-CG 3.28Å; Y323-R330 WeakPolarHBondContact OH-CG 3.26Å; T325-R330 HydrophobicContact CG2-CG 4.4Å; R330-T354 PolarHBondContact O-OG1 3Å; R330-D355 WeakPolarHBondContact CB-OD2 3.33Å; R330-D355 IonicContact CZ-OD2 3.79Å; R330-D355 PolarHBondContact N-OD2 2.92Å; R330-D355 IonicContact NE-OD2 3.14Å; R330-D355 PolarHBondContact NE-OD2 2.7Å; R330-D355 IonicContact NH2-OD1 2.69Å; R330-D355 PolarHBondContact NH2-OD1 3.26Å; R330-D355 VanDerWaalsContact NH2-OD1 3.16Å; R330-D355 IonicContact NH2-OD2 2.8Å; R330-D355 PolarHBondContact NH2-OD2 3.28Å; R330-D355 PolarHBondContact O-N 3.22Å; R330-F356 PolarHBondContact O-N 3.4Å
331	F	98.8	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130	176.7	-69.4	-98.9	0	0	0	108.7	V177 Y323 F324 I326 Q329 F356 Y420	V177-F331 HydrophobicContact CB-CE1 3.99Å; V177-F331 HydrophobicContact CB-CZ 4.15Å; V177-F331 HydrophobicContact CG1-CD1 3.99Å; V177-F331 HydrophobicContact CG1-CE1 3.81Å; V177-F331 HydrophobicContact CG1-CZ 4.43Å; V177-F331 HydrophobicContact CG2-CE1 4.18Å; V177-F331 HydrophobicContact CG2-CE2 4.22Å; V177-F331 HydrophobicContact CG2-CZ 3.98Å; Y323-F331 WeakPolarHBondContact CA-O 3.47Å; Y323-F331 WeakPolarHBondContact CD2-O 3.24Å; F324-F331 HydrophobicContact CD1-CB 4.31Å; F324-F331 HydrophobicContact CD2-CB 4.05Å; F324-F331 HydrophobicContact CD2-CD2 4.06Å; F324-F331 HydrophobicContact CD2-CG 4.31Å; F324-F331 HydrophobicContact CE1-CB 3.86Å; F324-F331 HydrophobicContact CE2-CB 3.57Å; F324-F331 HydrophobicContact CE2-CD1 4.39Å; F324-F331 AromaticContact CE2-CD2 3.56Å; F324-F331 HydrophobicContact CE2-CD2 3.56Å; F324-F331 HydrophobicContact CE2-CE2 4.37Å; F324-F331 AromaticContact CE2-CG 3.58Å; F324-F331 HydrophobicContact CE2-CG 3.58Å; F324-F331 HydrophobicContact CG-CB 4.4Å; F324-F331 HydrophobicContact CZ-CB 3.46Å; F324-F331 VanDerWaalsContact CZ-CB 3.46Å; F324-F331 HydrophobicContact CZ-CD1 4.31Å; F324-F331 HydrophobicContact CZ-CD2 4.23Å; F324-F331 AromaticContact CZ-CG 3.76Å; F324-F331 HydrophobicContact CZ-CG 3.76Å; F324-F331 PolarHBondContact N-O 3.16Å; F324-F331 PolarHBondContact O-N 2.95Å; I326-F331 HydrophobicContact CB-CE2 4.42Å; Q329-F331 HydrophobicContact CB-CD2 4.46Å; Q329-F331 HydrophobicContact CB-CE2 3.74Å; Q329-F331 HydrophobicContact CB-CZ 4.34Å; F331-F356 HydrophobicContact CD1-CB 3.42Å; F331-F356 VanDerWaalsContact CD1-CB 3.42Å; F331-F356 HydrophobicContact CD1-CD2 4.24Å; F331-F356 AromaticContact CD1-CG 3.84Å; F331-F356 HydrophobicContact CD1-CG 3.84Å; F331-F356 HydrophobicContact CE1-CB 3.56Å; F331-F356 AromaticContact CE1-CD1 3.84Å; F331-F356 HydrophobicContact CE1-CD1 3.84Å; F331-F356 AromaticContact CE1-CD2 3.67Å; F331-F356 HydrophobicContact CE1-CD2 3.67Å; F331-F356 HydrophobicContact CE1-CE1 4.44Å; F331-F356 HydrophobicContact CE1-CE2 4.32Å; F331-F356 AromaticContact CE1-CG 3.41Å; F331-F356 HydrophobicContact CE1-CG 3.41Å; F331-F356 VanDerWaalsContact CE1-CG 3.41Å; F331-F356 HydrophobicContact CE2-CD2 4.14Å; F331-F356 HydrophobicContact CG-CB 4.08Å; F331-F356 HydrophobicContact CZ-CB 4.33Å; F331-F356 HydrophobicContact CZ-CD1 4.4Å; F331-F356 AromaticContact CZ-CD2 3.6Å; F331-F356 HydrophobicContact CZ-CD2 3.6Å; F331-F356 AromaticContact CZ-CE2 3.95Å; F331-F356 HydrophobicContact CZ-CE2 3.95Å; F331-F356 AromaticContact CZ-CG 3.86Å; F331-F356 HydrophobicContact CZ-CG 3.86Å; F331-F356 HydrophobicContact CZ-CZ 4.46Å; F331-Y420 HydrophobicContact CE2-CD1 4.34Å; F331-Y420 AromaticContact CZ-CD1 3.74Å; F331-Y420 HydrophobicContact CZ-CD1 3.74Å; F331-Y420 HydrophobicContact CZ-CE1 4.42Å; F331-Y420 HydrophobicContact CZ-CG 4.19Å
332	L	98.8	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.4	171.4	179.2	62.6	0	0	0	107.3	L307 V321 Y323 T334 L345 L352 T354 F356 L357 K358 V376	L307-L332 HydrophobicContact CD1-CD1 4.08Å; V321-L332 HydrophobicContact CG1-CD1 3.59Å; Y323-L332 HydrophobicContact CD2-CB 4.24Å; Y323-L332 HydrophobicContact CD2-CD1 4.2Å; L332-T334 HydrophobicContact CD2-CG2 4.35Å; L332-T334 HydrophobicContact CG-CG2 4.03Å; L332-L345 HydrophobicContact CD1-CD2 4.49Å; L332-L345 HydrophobicContact CD2-CD2 4.47Å; L332-L352 HydrophobicContact CD1-CD2 4.17Å; L332-L352 HydrophobicContact CD2-CD2 3.91Å; L332-T354 HydrophobicContact CB-CG2 4.06Å; L332-T354 WeakPolarHBondContact CB-OG1 3.36Å; L332-T354 PolarHBondContact N-OG1 2.88Å; L332-F356 PolarHBondContact N-O 3.32Å; L332-L357 HydrophobicContact CB-CD1 4.35Å; L332-L357 HydrophobicContact CD2-CD1 4.05Å; L332-L357 HydrophobicContact CG-CD1 4.19Å; L332-L357 WeakPolarHBondContact O-CA 3.35Å; L332-K358 PolarHBondContact O-N 3.06Å; L332-V376 HydrophobicContact CD2-CB 4.41Å; L332-V376 HydrophobicContact CD2-CG1 3.99Å; L332-V376 HydrophobicContact CD2-CG2 4.45Å
333	L	98.8	Very high	96.9	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.6	179	-41.6	177.7	0	0	0	107.9	F179 I188 I201 V321 T322 F324 K358	F179-L333 HydrophobicContact CE1-CD2 3.95Å; F179-L333 HydrophobicContact CZ-CD2 3.74Å; I188-L333 HydrophobicContact CD1-CB 4.44Å; I188-L333 HydrophobicContact CD1-CD1 3.86Å; I188-L333 HydrophobicContact CD1-CD2 4.21Å; I188-L333 HydrophobicContact CD1-CG 4.4Å; I188-L333 HydrophobicContact CG2-CD1 4.03Å; I201-L333 HydrophobicContact CD1-CD1 3.54Å; V321-L333 WeakPolarHBondContact CA-O 3.47Å; T322-L333 PolarHBondContact N-O 3.31Å; T322-L333 PolarHBondContact O-N 2.9Å; T322-L333 WeakPolarHBondContact OG1-CB 3.39Å; F324-L333 HydrophobicContact CE1-CD1 3.76Å; F324-L333 HydrophobicContact CE1-CG 4.18Å; F324-L333 HydrophobicContact CZ-CD1 4.24Å; L333-K358 HydrophobicContact CB-CB 4.21Å; L333-K358 HydrophobicContact CD2-CB 3.88Å
334	T	98.2	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.			trans	-93.7	-2.5	-168.8	56.3	0	0	0	0	114.1	L332 D336 L337 L357 K358 G360	L332-T334 HydrophobicContact CD2-CG2 4.35Å; L332-T334 HydrophobicContact CG-CG2 4.03Å; T334-D336 PolarHBondContact O-N 3.29Å; T334-L337 VanDerWaalsContact O-CB 3.26Å; T334-L337 WeakPolarHBondContact O-CB 3.45Å; T334-L337 PolarHBondContact O-N 2.92Å; T334-L357 HydrophobicContact CG2-CD1 3.97Å; T334-K358 PolarHBondContact OG1-O 2.75Å; T334-K358 VanDerWaalsContact OG1-O 3.05Å; T334-G360 WeakPolarHBondContact OG1-CA 3.36Å; T334-G360 PolarHBondContact OG1-N 2.62Å
335	G	97.4	Very high	96.7	Very high	2 Å²	2	34 Å²	34	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-133.1	-167.4	0	0	0	0	0	109.5	K358 G360 H361	G335-K358 VanDerWaalsContact C-NZ 3.32Å; G335-K358 PolarHBondContact O-NZ 3.24Å; G335-G360 WeakPolarHBondContact O-CA 3.02Å; G335-H361 PolarHBondContact O-N 3.28Å
336	D	98	Very high	96.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	22.7	-177.6	-76.8	17.7	0	0	0	113.5	H251 N316 S319 T334 E338 K358 H361 H362	H251-D336 IonicContact CE1-OD1 2.79Å; H251-D336 PolarHBondContact CE1-OD1 2.81Å; H251-D336 VanDerWaalsContact CE1-OD1 3.32Å; H251-D336 VanDerWaalsContact NE2-CG 3.3Å; H251-D336 IonicContact NE2-OD1 3.91Å; H251-D336 PolarHBondContact NE2-OD1 2.88Å; H251-D336 IonicContact NE2-OD2 3.87Å; H251-D336 PolarHBondContact NE2-OD2 3.39Å; N316-D336 HydrophobicContact CB-CB 4.12Å; N316-D336 WeakPolarHBondContact CB-O 3.2Å; N316-D336 CarbonylContact O-C 3.52Å; S319-D336 PolarHBondContact OG-N 2.85Å; T334-D336 PolarHBondContact O-N 3.29Å; D336-E338 PolarHBondContact O-N 2.84Å; D336-K358 IonicContact OD1-NZ 4Å; D336-K358 PolarHBondContact OD1-NZ 2.85Å; D336-H361 HydrophobicContact CB-CB 4.03Å; D336-H361 VanDerWaalsContact OD1-CA 3.25Å; D336-H361 WeakPolarHBondContact OD1-CA 3.23Å; D336-H361 PolarHBondContact OD1-N 2.9Å; D336-H361 WeakPolarHBondContact OD2-CA 3.41Å; D336-H361 IonicContact OD2-CD2 3.71Å; D336-H361 PolarHBondContact OD2-CD2 2.84Å; D336-H361 IonicContact OD2-CG 3.01Å; D336-H361 IonicContact OD2-NE2 3.95Å; D336-H362 IonicContact OD1-NE2 3.76Å; D336-H362 IonicContact OD2-CD2 2.85Å; D336-H362 PolarHBondContact OD2-CD2 2.93Å; D336-H362 IonicContact OD2-NE2 3.32Å; D336-H362 PolarHBondContact OD2-NE2 2.91Å
337	L	97.6	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.			trans	-47.5	127.9	176.2	-161.3	78	0	0	0	111.6	N316 D317 V321 T334 G341 E342 L345 S367	N316-L337 WeakPolarHBondContact O-CA 3.38Å; N316-L337 PolarHBondContact O-N 3.45Å; D317-L337 WeakPolarHBondContact O-CD1 3.25Å; V321-L337 HydrophobicContact CG2-CB 4.45Å; V321-L337 HydrophobicContact CG2-CD1 4.15Å; V321-L337 HydrophobicContact CG2-CD2 3.66Å; V321-L337 HydrophobicContact CG2-CG 4.34Å; T334-L337 VanDerWaalsContact O-CB 3.26Å; T334-L337 WeakPolarHBondContact O-CB 3.45Å; T334-L337 PolarHBondContact O-N 2.92Å; L337-G341 VanDerWaalsContact CD2-C 3.48Å; L337-E342 HydrophobicContact CD2-CB 4.45Å; L337-E342 HydrophobicContact CD2-CG 3.86Å; L337-E342 HydrophobicContact CG-CG 4.32Å; L337-L345 HydrophobicContact CD2-CD2 4.47Å; L337-S367 VanDerWaalsContact O-CB 3.23Å; L337-S367 WeakPolarHBondContact O-CB 3.25Å; L337-S367 PolarHBondContact O-OG 2.75Å
338	E	97.6	Very high	97.2	Very high	60 Å²	60	41.3 Å²	41.3	28%	0.28	20%	0.202	S	C	.	.			trans	-89.1	171.4	178.1	-55.3	-167.1	157.4	0	0	110.5	N316 D317 D336 T340 G341 E342 T366	N316-E338 HydrophobicContact CB-CG 4.34Å; D317-E338 HydrophobicContact CB-CB 4.21Å; D317-E338 HydrophobicContact CB-CG 4.21Å; D317-E338 WeakPolarHBondContact OD1-CA 3.48Å; D317-E338 WeakPolarHBondContact OD1-CB 3.36Å; D317-E338 PolarHBondContact OD1-N 3.15Å; D336-E338 PolarHBondContact O-N 2.84Å; E338-T340 PolarHBondContact O-N 3.44Å; E338-T340 VanDerWaalsContact O-N 3.12Å; E338-G341 PolarHBondContact O-N 3.4Å; E338-G341 VanDerWaalsContact O-N 3.07Å; E338-E342 WeakPolarHBondContact O-CG 3.5Å; E338-E342 PolarHBondContact O-N 3.39Å; E338-T366 WeakPolarHBondContact CA-O 3.49Å
339	T	96.7	Very high	97.6	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	18%	0.179	S	C	.	.	H	α-helix	trans	-53.5	-34.4	-177.4	47.8	0	0	0	0	113.9	E342 E343 T366	T339-E342 WeakPolarHBondContact O-CB 3.48Å; T339-E342 PolarHBondContact O-N 2.93Å; T339-E343 WeakPolarHBondContact O-CG 3.2Å; T339-E343 PolarHBondContact O-N 3.41Å; T339-T366 WeakPolarHBondContact CG2-O 2.88Å; T339-T366 PolarHBondContact N-O 2.82Å
340	T	96.3	Very high	97.5	Very high	75 Å²	75	37.9 Å²	37.9	46%	0.46	19%	0.19	S	C	.	.	H	α-helix	trans	-63.8	-45.3	176.4	36.9	0	0	0	0	112.5	D317 E338 A344	D317-T340 PolarHBondContact OD1-OG1 2.8Å; D317-T340 WeakPolarHBondContact OD2-CB 3.27Å; D317-T340 PolarHBondContact OD2-OG1 3.41Å; E338-T340 PolarHBondContact O-N 3.44Å; E338-T340 VanDerWaalsContact O-N 3.12Å; T340-A344 PolarHBondContact O-N 3.03Å
341	G	96.6	Very high	97.4	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	21%	0.211	C	C	.	.	H	α-helix	trans	-67.1	-35.8	172.3	0	0	0	0	0	112.8	D317 L337 E338 A344 L345	D317-G341 VanDerWaalsContact OD1-CA 3.25Å; D317-G341 WeakPolarHBondContact OD1-CA 3.38Å; D317-G341 PolarHBondContact OD1-N 3.1Å; D317-G341 PolarHBondContact OD2-N 3.18Å; L337-G341 VanDerWaalsContact CD2-C 3.48Å; E338-G341 PolarHBondContact O-N 3.4Å; E338-G341 VanDerWaalsContact O-N 3.07Å; G341-A344 WeakPolarHBondContact O-CB 3.4Å; G341-A344 PolarHBondContact O-N 3.37Å; G341-L345 WeakPolarHBondContact O-CB 3.31Å; G341-L345 PolarHBondContact O-N 2.82Å
342	E	98.2	Very high	97.3	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-42.7	175.3	-68.7	176.7	165.4	0	0	112.3	L337 E338 T339 A344 L345 I346 T368 G369 L372	L337-E342 HydrophobicContact CD2-CB 4.45Å; L337-E342 HydrophobicContact CD2-CG 3.86Å; L337-E342 HydrophobicContact CG-CG 4.32Å; E338-E342 WeakPolarHBondContact O-CG 3.5Å; E338-E342 PolarHBondContact O-N 3.39Å; T339-E342 WeakPolarHBondContact O-CB 3.48Å; T339-E342 PolarHBondContact O-N 2.93Å; E342-A344 VanDerWaalsContact C-N 3.33Å; E342-A344 PolarHBondContact O-N 3.13Å; E342-L345 WeakPolarHBondContact O-CB 3.42Å; E342-L345 PolarHBondContact O-N 2.86Å; E342-I346 VanDerWaalsContact O-CG1 3.29Å; E342-I346 WeakPolarHBondContact O-CG1 3Å; E342-I346 PolarHBondContact O-N 3.2Å; E342-T368 WeakPolarHBondContact OE1-CA 3.47Å; E342-T368 PolarHBondContact OE1-N 3.49Å; E342-T368 PolarHBondContact OE2-N 3.04Å; E342-G369 WeakPolarHBondContact OE2-CA 3.4Å; E342-G369 PolarHBondContact OE2-N 3.46Å; E342-L372 HydrophobicContact CB-CB 4.37Å; E342-L372 HydrophobicContact CB-CD1 4.48Å; E342-L372 HydrophobicContact CG-CD2 3.95Å; E342-L372 WeakPolarHBondContact OE1-CD2 3.38Å
343	E	96.9	Very high	97.3	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-42.5	174.1	-71.2	173.3	-166.9	0	0	111.3	T339 L345 I346 R347	T339-E343 WeakPolarHBondContact O-CG 3.2Å; T339-E343 PolarHBondContact O-N 3.41Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 3.34Å; E343-I346 PolarHBondContact O-N 3.35Å; E343-R347 WeakPolarHBondContact O-CG 3.43Å; E343-R347 PolarHBondContact O-N 3.06Å; E343-R347 IonicContact OE2-NH1 2.9Å
344	A	96.6	Very high	97.3	Very high	30 Å²	30	45.1 Å²	45.1	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-40.8	175	0	0	0	0	0	111.7	T340 G341 E342 R347 N348	T340-A344 PolarHBondContact O-N 3.03Å; G341-A344 WeakPolarHBondContact O-CB 3.4Å; G341-A344 PolarHBondContact O-N 3.37Å; E342-A344 VanDerWaalsContact C-N 3.33Å; E342-A344 PolarHBondContact O-N 3.13Å; A344-R347 PolarHBondContact O-N 3.46Å; A344-N348 WeakPolarHBondContact O-CB 3.44Å; A344-N348 PolarHBondContact O-N 3.18Å; A344-N348 PolarHBondContact O-ND2 3.21Å
345	L	97.7	Very high	97.3	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-46.4	174.7	-178.7	71.3	0	0	0	111.3	L307 V321 L332 L337 G341 E342 E343 N348 Y349 L352 L372	L307-L345 HydrophobicContact CB-CD1 3.55Å; L307-L345 HydrophobicContact CD1-CD1 3.99Å; L307-L345 HydrophobicContact CG-CD1 4.45Å; V321-L345 HydrophobicContact CG1-CD1 4.09Å; V321-L345 HydrophobicContact CG1-CD2 4.08Å; L332-L345 HydrophobicContact CD1-CD2 4.49Å; L332-L345 HydrophobicContact CD2-CD2 4.47Å; L337-L345 HydrophobicContact CD2-CD2 4.47Å; G341-L345 WeakPolarHBondContact O-CB 3.31Å; G341-L345 PolarHBondContact O-N 2.82Å; E342-L345 WeakPolarHBondContact O-CB 3.42Å; E342-L345 PolarHBondContact O-N 2.86Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 3.34Å; L345-N348 PolarHBondContact O-N 3.12Å; L345-Y349 HydrophobicContact CD1-CD2 3.85Å; L345-Y349 HydrophobicContact CD1-CE2 4.23Å; L345-Y349 WeakPolarHBondContact O-CD2 3.4Å; L345-Y349 PolarHBondContact O-N 3.46Å; L345-L352 HydrophobicContact CD1-CD2 4.36Å; L345-L352 HydrophobicContact CD2-CD2 4.03Å; L345-L352 HydrophobicContact CG-CD2 4.07Å; L345-L372 HydrophobicContact CD2-CD1 4.2Å
346	I	97.6	Very high	97.4	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.128	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-42.8	179	-66.5	162.4	0	0	0	111.4	E342 E343 Y349 P350 E371 L372 K375	E342-I346 VanDerWaalsContact O-CG1 3.29Å; E342-I346 WeakPolarHBondContact O-CG1 3Å; E342-I346 PolarHBondContact O-N 3.2Å; E343-I346 PolarHBondContact O-N 3.35Å; I346-Y349 CarbonylContact O-C 3.48Å; I346-Y349 VanDerWaalsContact O-C 3.3Å; I346-Y349 PolarHBondContact O-N 3.02Å; I346-P350 WeakPolarHBondContact O-CA 3.49Å; I346-E371 HydrophobicContact CD1-CB 4Å; I346-L372 HydrophobicContact CD1-CB 4.2Å; I346-L372 HydrophobicContact CD1-CD1 4.37Å; I346-L372 HydrophobicContact CG1-CD1 4.24Å; I346-K375 HydrophobicContact CD1-CB 4.38Å; I346-K375 HydrophobicContact CG1-CB 4.25Å; I346-K375 HydrophobicContact CG1-CG 4.27Å; I346-K375 HydrophobicContact CG2-CB 4.42Å; I346-K375 HydrophobicContact CG2-CD 4.11Å; I346-K375 HydrophobicContact CG2-CG 3.94Å
347	R	97.1	Very high	97.4	Very high	164 Å²	164	45.2 Å²	45.2	62%	0.619	23%	0.227	S	C	*	.	H	α-helix	trans	-61.6	-43.5	176.2	-73.4	-170.8	-60	-95.7	1.7	111.6	E343 A344	E343-R347 WeakPolarHBondContact O-CG 3.43Å; E343-R347 PolarHBondContact O-N 3.06Å; E343-R347 IonicContact OE2-NH1 2.9Å; A344-R347 PolarHBondContact O-N 3.46Å
348	N	96.9	Very high	97.4	Very high	78 Å²	78	45.2 Å²	45.2	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-71.6	-32.7	-180	-71.3	-35.4	0	0	0	112.7	K294 A344 L345	K294-N348 PolarHBondContact NZ-ND2 3.37Å; A344-N348 WeakPolarHBondContact O-CB 3.44Å; A344-N348 PolarHBondContact O-N 3.18Å; A344-N348 PolarHBondContact O-ND2 3.21Å; L345-N348 PolarHBondContact O-N 3.12Å
349	Y	97.6	Very high	97.5	Very high	63 Å²	63	42.4 Å²	42.4	25%	0.247	21%	0.213	C	C	.	.			trans	-128.9	70	-176.1	-57.6	-82	0	0	0	111.6	K294 L307 L345 I346 Q351 L352	K294-Y349 HydrophobicContact CD-CE2 4.28Å; K294-Y349 WeakPolarHBondContact CG-OH 3.08Å; L307-Y349 HydrophobicContact CB-CD2 4.33Å; L307-Y349 HydrophobicContact CB-CE2 3.78Å; L307-Y349 HydrophobicContact CD2-CD1 4.45Å; L307-Y349 HydrophobicContact CD2-CE1 3.92Å; L307-Y349 HydrophobicContact CD2-CE2 4.05Å; L307-Y349 HydrophobicContact CG-CE2 4.37Å; L307-Y349 WeakPolarHBondContact O-CE2 3.49Å; L345-Y349 HydrophobicContact CD1-CD2 3.85Å; L345-Y349 HydrophobicContact CD1-CE2 4.23Å; L345-Y349 WeakPolarHBondContact O-CD2 3.4Å; L345-Y349 PolarHBondContact O-N 3.46Å; I346-Y349 CarbonylContact O-C 3.48Å; I346-Y349 VanDerWaalsContact O-C 3.3Å; I346-Y349 PolarHBondContact O-N 3.02Å; Y349-Q351 PolarHBondContact O-N 2.95Å; Y349-L352 VanDerWaalsContact O-CB 3.24Å; Y349-L352 WeakPolarHBondContact O-CB 3.37Å; Y349-L352 PolarHBondContact O-N 2.88Å
350	P	96	Very high	97.5	Very high	64 Å²	64	39.8 Å²	39.8	42%	0.416	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.6	-174.6	29.5	-37.3	0	0	0	114.2	I346 K375	I346-P350 WeakPolarHBondContact O-CA 3.49Å; P350-K375 WeakPolarHBondContact O-CE 3.39Å; P350-K375 PolarHBondContact O-NZ 3.36Å
351	Q	95.8	Very high	97.5	Very high	161 Å²	161	37.6 Å²	37.6	75%	0.752	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	9.7	172.8	-58.7	-58.7	-23.6	0	0	112.4	Y349 K353	Y349-Q351 PolarHBondContact O-N 2.95Å; Q351-K353 PolarHBondContact O-N 2.83Å
352	L	97.6	Very high	97.6	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.079	18%	0.178	C	C	.	.			trans	-61.4	128.8	-178.7	-171.2	61.6	0	0	0	110.9	L307 Y323 L332 L345 Y349 V376	L307-L352 HydrophobicContact CD1-CD1 4.04Å; L307-L352 HydrophobicContact CD1-CD2 4.07Å; Y323-L352 HydrophobicContact CD2-CD1 3.84Å; Y323-L352 HydrophobicContact CE2-CD1 3.71Å; Y323-L352 HydrophobicContact CG-CD1 4.32Å; L332-L352 HydrophobicContact CD1-CD2 4.17Å; L332-L352 HydrophobicContact CD2-CD2 3.91Å; L345-L352 HydrophobicContact CD1-CD2 4.36Å; L345-L352 HydrophobicContact CD2-CD2 4.03Å; L345-L352 HydrophobicContact CG-CD2 4.07Å; Y349-L352 VanDerWaalsContact O-CB 3.24Å; Y349-L352 WeakPolarHBondContact O-CB 3.37Å; Y349-L352 PolarHBondContact O-N 2.88Å; L352-V376 HydrophobicContact CB-CG1 4.45Å; L352-V376 HydrophobicContact CD2-CG1 4.09Å; L352-V376 HydrophobicContact CG-CG1 4.1Å
353	K	98	Very high	97.5	Very high	61 Å²	61	37 Å²	37	27%	0.265	18%	0.177	S	C	.	.			trans	-137	145.9	175.3	-66.3	-63.2	179.2	-170.8	0	108.3	Y323 Q351 K375 V376	Y323-K353 WeakPolarHBondContact CE2-O 3.4Å; Y323-K353 PolarHBondContact OH-O 3.31Å; Q351-K353 PolarHBondContact O-N 2.83Å; K353-K375 WeakPolarHBondContact CD-O 3.42Å; K353-K375 WeakPolarHBondContact CE-O 3.17Å; K353-K375 PolarHBondContact NZ-O 3.16Å; K353-V376 WeakPolarHBondContact CA-O 3.41Å
354	T	98.5	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.			trans	-137.6	155.6	177.1	-161.5	0	0	0	0	111	R330 L332 F356 L357 V376 P378	R330-T354 PolarHBondContact O-OG1 3Å; L332-T354 HydrophobicContact CB-CG2 4.06Å; L332-T354 WeakPolarHBondContact CB-OG1 3.36Å; L332-T354 PolarHBondContact N-OG1 2.88Å; T354-F356 PolarHBondContact OG1-O 3.28Å; T354-L357 HydrophobicContact CG2-CB 4.16Å; T354-V376 HydrophobicContact CG2-CB 4.12Å; T354-V376 HydrophobicContact CG2-CG2 3.9Å; T354-V376 PolarHBondContact N-O 2.96Å; T354-P378 HydrophobicContact CG2-CB 3.78Å; T354-P378 WeakPolarHBondContact O-CA 3.33Å
355	D	98.6	Very high	97.5	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.169	C	C	.	.	S	Bend	trans	-98.3	-39	170.9	-59.1	-76.9	0	0	0	109.9	R330 K379 Y380	R330-D355 WeakPolarHBondContact CB-OD2 3.33Å; R330-D355 IonicContact CZ-OD2 3.79Å; R330-D355 PolarHBondContact N-OD2 2.92Å; R330-D355 IonicContact NE-OD2 3.14Å; R330-D355 PolarHBondContact NE-OD2 2.7Å; R330-D355 IonicContact NH2-OD1 2.69Å; R330-D355 PolarHBondContact NH2-OD1 3.26Å; R330-D355 VanDerWaalsContact NH2-OD1 3.16Å; R330-D355 IonicContact NH2-OD2 2.8Å; R330-D355 PolarHBondContact NH2-OD2 3.28Å; R330-D355 PolarHBondContact O-N 3.22Å; D355-K379 HydrophobicContact CB-CD 4.5Å; D355-K379 PolarHBondContact O-N 2.77Å; D355-K379 WeakPolarHBondContact OD1-CE 3.32Å; D355-K379 IonicContact OD1-NZ 3.77Å; D355-K379 PolarHBondContact OD1-NZ 3.47Å; D355-Y380 PolarHBondContact O-N 3.06Å
356	F	98.7	Very high	97.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.7	175.2	-69.3	-99	0	0	0	110.3	Q329 R330 F331 L332 T354 Y380 I382 Y420 I431	Q329-F356 HydrophobicContact CB-CD2 4.07Å; Q329-F356 HydrophobicContact CB-CE2 3.9Å; Q329-F356 HydrophobicContact CG-CE2 3.89Å; R330-F356 PolarHBondContact O-N 3.4Å; F331-F356 HydrophobicContact CD1-CB 3.42Å; F331-F356 VanDerWaalsContact CD1-CB 3.42Å; F331-F356 HydrophobicContact CD1-CD2 4.24Å; F331-F356 AromaticContact CD1-CG 3.84Å; F331-F356 HydrophobicContact CD1-CG 3.84Å; F331-F356 HydrophobicContact CE1-CB 3.56Å; F331-F356 AromaticContact CE1-CD1 3.84Å; F331-F356 HydrophobicContact CE1-CD1 3.84Å; F331-F356 AromaticContact CE1-CD2 3.67Å; F331-F356 HydrophobicContact CE1-CD2 3.67Å; F331-F356 HydrophobicContact CE1-CE1 4.44Å; F331-F356 HydrophobicContact CE1-CE2 4.32Å; F331-F356 AromaticContact CE1-CG 3.41Å; F331-F356 HydrophobicContact CE1-CG 3.41Å; F331-F356 VanDerWaalsContact CE1-CG 3.41Å; F331-F356 HydrophobicContact CE2-CD2 4.14Å; F331-F356 HydrophobicContact CG-CB 4.08Å; F331-F356 HydrophobicContact CZ-CB 4.33Å; F331-F356 HydrophobicContact CZ-CD1 4.4Å; F331-F356 AromaticContact CZ-CD2 3.6Å; F331-F356 HydrophobicContact CZ-CD2 3.6Å; F331-F356 AromaticContact CZ-CE2 3.95Å; F331-F356 HydrophobicContact CZ-CE2 3.95Å; F331-F356 AromaticContact CZ-CG 3.86Å; F331-F356 HydrophobicContact CZ-CG 3.86Å; F331-F356 HydrophobicContact CZ-CZ 4.46Å; L332-F356 PolarHBondContact N-O 3.32Å; T354-F356 PolarHBondContact OG1-O 3.28Å; F356-Y380 WeakPolarHBondContact CA-O 3.46Å; F356-Y380 AromaticContact CD1-CD2 3.96Å; F356-Y380 HydrophobicContact CD1-CD2 3.96Å; F356-Y380 HydrophobicContact CD1-CG 4.25Å; F356-Y380 HydrophobicContact CD2-CD2 4.11Å; F356-Y380 AromaticContact CE1-CD2 3.57Å; F356-Y380 HydrophobicContact CE1-CD2 3.57Å; F356-Y380 HydrophobicContact CE1-CE2 4.32Å; F356-Y380 AromaticContact CE1-CG 3.97Å; F356-Y380 HydrophobicContact CE1-CG 3.97Å; F356-Y380 AromaticContact CE2-CD2 3.71Å; F356-Y380 HydrophobicContact CE2-CD2 3.71Å; F356-Y380 HydrophobicContact CE2-CE2 4.05Å; F356-Y380 HydrophobicContact CG-CD2 4.22Å; F356-Y380 AromaticContact CZ-CD2 3.43Å; F356-Y380 HydrophobicContact CZ-CD2 3.43Å; F356-Y380 VanDerWaalsContact CZ-CD2 3.43Å; F356-Y380 AromaticContact CZ-CE2 3.79Å; F356-Y380 HydrophobicContact CZ-CE2 3.79Å; F356-Y380 HydrophobicContact CZ-CG 4.26Å; F356-I382 HydrophobicContact CD1-CD1 3.95Å; F356-Y420 HydrophobicContact CE2-CD2 4.46Å; F356-Y420 AromaticContact CZ-CD2 3.87Å; F356-Y420 HydrophobicContact CZ-CD2 3.87Å; F356-Y420 HydrophobicContact CZ-CE2 4.45Å; F356-Y420 HydrophobicContact CZ-CG 4.07Å; F356-I431 HydrophobicContact CE1-CD1 3.58Å; F356-I431 HydrophobicContact CE1-CG1 3.84Å; F356-I431 HydrophobicContact CZ-CD1 3.91Å; F356-I431 HydrophobicContact CZ-CG1 3.98Å
357	L	98.8	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.6	172.2	176.4	63.7	0	0	0	109.1	L332 T334 T354 V359 T368 L373 P378 Y380 A381 I382	L332-L357 HydrophobicContact CB-CD1 4.35Å; L332-L357 HydrophobicContact CD2-CD1 4.05Å; L332-L357 HydrophobicContact CG-CD1 4.19Å; L332-L357 WeakPolarHBondContact O-CA 3.35Å; T334-L357 HydrophobicContact CG2-CD1 3.97Å; T354-L357 HydrophobicContact CG2-CB 4.16Å; L357-V359 PolarHBondContact O-N 3.19Å; L357-T368 HydrophobicContact CD2-CG2 4.42Å; L357-L373 HydrophobicContact CD2-CD2 3.72Å; L357-P378 HydrophobicContact CB-CB 3.75Å; L357-P378 HydrophobicContact CB-CG 4.13Å; L357-P378 HydrophobicContact CD2-CG 4.04Å; L357-Y380 PolarHBondContact N-O 3.04Å; L357-A381 CarbonylContact O-C 3.59Å; L357-A381 WeakPolarHBondContact O-CA 3.49Å; L357-I382 PolarHBondContact O-N 3.22Å
358	K	98.7	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.9	155.7	-174.5	-104	164.1	165.2	0	106.5	F179 D186 I188 L332 L333 T334 G335 D336 G360 I382	F179-K358 HydrophobicContact CE1-CB 3.97Å; F179-K358 HydrophobicContact CE1-CG 4.15Å; D186-K358 VanDerWaalsContact CG-CE 3.47Å; D186-K358 VanDerWaalsContact OD1-CE 3.27Å; D186-K358 WeakPolarHBondContact OD1-CE 3.42Å; D186-K358 IonicContact OD1-NZ 3.27Å; D186-K358 WeakPolarHBondContact OD2-CE 3.31Å; D186-K358 IonicContact OD2-NZ 3.16Å; D186-K358 PolarHBondContact OD2-NZ 2.82Å; I188-K358 HydrophobicContact CD1-CG 4.28Å; L332-K358 PolarHBondContact O-N 3.06Å; L333-K358 HydrophobicContact CB-CB 4.21Å; L333-K358 HydrophobicContact CD2-CB 3.88Å; T334-K358 PolarHBondContact OG1-O 2.75Å; T334-K358 VanDerWaalsContact OG1-O 3.05Å; G335-K358 VanDerWaalsContact C-NZ 3.32Å; G335-K358 PolarHBondContact O-NZ 3.24Å; D336-K358 IonicContact OD1-NZ 4Å; D336-K358 PolarHBondContact OD1-NZ 2.85Å; K358-G360 PolarHBondContact O-N 2.85Å; K358-I382 WeakPolarHBondContact CA-O 3.34Å
359	V	98.5	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-67.6	129.5	179.6	173.8	0	0	0	0	108.8	L357 T368 A381 I382 I383 T398 L402	L357-V359 PolarHBondContact O-N 3.19Å; V359-T368 HydrophobicContact CG1-CG2 4.23Å; V359-T368 VanDerWaalsContact CG1-OG1 3.27Å; V359-T368 WeakPolarHBondContact CG1-OG1 3.34Å; V359-A381 HydrophobicContact CG2-CB 3.68Å; V359-I382 PolarHBondContact N-O 2.96Å; V359-I383 HydrophobicContact CB-CG1 3.82Å; V359-I383 HydrophobicContact CG1-CD1 4.48Å; V359-I383 HydrophobicContact CG1-CG1 4.14Å; V359-I383 HydrophobicContact CG2-CD1 4.4Å; V359-I383 HydrophobicContact CG2-CG1 3.66Å; V359-T398 HydrophobicContact CG1-CG2 4.03Å; V359-L402 HydrophobicContact CG2-CD1 4.05Å
360	G	97.4	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-60.2	146	-177.4	0	0	0	0	0	112.8	T334 G335 K358 H362 G363 T368	T334-G360 WeakPolarHBondContact OG1-CA 3.36Å; T334-G360 PolarHBondContact OG1-N 2.62Å; G335-G360 WeakPolarHBondContact O-CA 3.02Å; K358-G360 PolarHBondContact O-N 2.85Å; G360-H362 VanDerWaalsContact C-N 3.26Å; G360-H362 PolarHBondContact O-N 3.28Å; G360-H362 VanDerWaalsContact O-N 3.16Å; G360-G363 PolarHBondContact O-N 3.12Å; G360-T368 PolarHBondContact N-OG1 3.36Å
361	H	96.6	Very high	97.3	Very high	29 Å²	29	31.6 Å²	31.6	13%	0.134	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	52.1	44.2	168.2	-159	165.6	0	0	0	113.7	N316 G335 D336 G363 S364 S367 H393	N316-H361 PolarHBondContact ND2-CE1 3.34Å; N316-H361 VanDerWaalsContact ND2-CE1 3.26Å; G335-H361 PolarHBondContact O-N 3.28Å; D336-H361 HydrophobicContact CB-CB 4.03Å; D336-H361 VanDerWaalsContact OD1-CA 3.25Å; D336-H361 WeakPolarHBondContact OD1-CA 3.23Å; D336-H361 PolarHBondContact OD1-N 2.9Å; D336-H361 WeakPolarHBondContact OD2-CA 3.41Å; D336-H361 IonicContact OD2-CD2 3.71Å; D336-H361 PolarHBondContact OD2-CD2 2.84Å; D336-H361 IonicContact OD2-CG 3.01Å; D336-H361 IonicContact OD2-NE2 3.95Å; H361-G363 PolarHBondContact O-N 3.05Å; H361-S364 VanDerWaalsContact O-CB 3.31Å; H361-S364 WeakPolarHBondContact O-CB 3.33Å; H361-S364 PolarHBondContact O-N 2.84Å; H361-S367 WeakPolarHBondContact CB-OG 3.3Å; H361-H393 AromaticContact CD2-CE1 3.9Å; H361-H393 AromaticContact NE2-CE1 4Å; H361-H393 PolarHBondContact O-ND1 3.07Å
362	H	97.2	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	54.5	19.7	-179.4	-50.3	-60.7	0	0	0	114.5	G185 D250 H251 D336 G360 I383 S384 H393	G185-H362 VanDerWaalsContact CA-CE1 3.4Å; G185-H362 WeakPolarHBondContact CA-CE1 3.48Å; D250-H362 IonicContact OD2-CD2 3.79Å; D250-H362 IonicContact OD2-NE2 3.52Å; D250-H362 PolarHBondContact OD2-NE2 3.29Å; H251-H362 AromaticContact CD2-NE2 4Å; H251-H362 AromaticContact CE1-CE1 3.84Å; H251-H362 AromaticContact CE1-NE2 3.96Å; H251-H362 AromaticContact NE2-CE1 3.39Å; H251-H362 PolarHBondContact NE2-CE1 3.02Å; H251-H362 AromaticContact NE2-NE2 3.1Å; H251-H362 PolarHBondContact NE2-NE2 3.34Å; D336-H362 IonicContact OD1-NE2 3.76Å; D336-H362 IonicContact OD2-CD2 2.85Å; D336-H362 PolarHBondContact OD2-CD2 2.93Å; D336-H362 IonicContact OD2-NE2 3.32Å; D336-H362 PolarHBondContact OD2-NE2 2.91Å; G360-H362 VanDerWaalsContact C-N 3.26Å; G360-H362 PolarHBondContact O-N 3.28Å; G360-H362 VanDerWaalsContact O-N 3.16Å; H362-I383 VanDerWaalsContact O-CG2 3.26Å; H362-I383 WeakPolarHBondContact O-CG2 3.21Å; H362-S384 VanDerWaalsContact CB-O 3.28Å; H362-S384 WeakPolarHBondContact CB-O 3.4Å; H362-S384 PolarHBondContact ND1-O 2.98Å; H362-H393 HydrophobicContact CB-CB 4.27Å; H362-H393 WeakPolarHBondContact O-CB 3.44Å
363	G	97.4	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	86.7	23.1	-173.6	0	0	0	0	0	115.2	G360 H361 P394 T395 T398	G360-G363 PolarHBondContact O-N 3.12Å; H361-G363 PolarHBondContact O-N 3.05Å; G363-P394 WeakPolarHBondContact O-CA 3.27Å; G363-T395 PolarHBondContact O-N 2.77Å; G363-T395 PolarHBondContact O-OG1 2.76Å; G363-T398 WeakPolarHBondContact O-CB 3.3Å
364	S	97.2	Very high	97.4	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.042	12%	0.121	C	C	.	.			trans	-51.1	155	163.4	-179	0	0	0	0	111.2	H361 T366 T398	H361-S364 VanDerWaalsContact O-CB 3.31Å; H361-S364 WeakPolarHBondContact O-CB 3.33Å; H361-S364 PolarHBondContact O-N 2.84Å; S364-T366 VanDerWaalsContact C-N 3.29Å; S364-T366 PolarHBondContact OG-N 3.06Å; S364-T366 VanDerWaalsContact OG-N 3.15Å; S364-T366 PolarHBondContact OG-OG1 3.06Å; S364-T398 PolarHBondContact O-OG1 2.64Å
365	N	95.5	Very high	97.3	Very high	78 Å²	78	27.5 Å²	27.5	42%	0.417	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.5	171.3	63.1	-17.6	0	0	0	113.1	S367 T395 E397	N365-S367 PolarHBondContact O-N 3.37Å; N365-T395 HydrophobicContact CB-CG2 4.27Å; N365-E397 HydrophobicContact CB-CB 4.41Å; N365-E397 WeakPolarHBondContact CB-OE2 3.17Å; N365-E397 PolarHBondContact ND2-OE2 2.84Å
366	T	96.3	Very high	97.3	Very high	53 Å²	53	27.3 Å²	27.3	33%	0.325	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.9	174.5	59.6	0	0	0	0	114	E338 T339 S364	E338-T366 WeakPolarHBondContact CA-O 3.49Å; T339-T366 WeakPolarHBondContact CG2-O 2.88Å; T339-T366 PolarHBondContact N-O 2.82Å; S364-T366 VanDerWaalsContact C-N 3.29Å; S364-T366 PolarHBondContact OG-N 3.06Å; S364-T366 VanDerWaalsContact OG-N 3.15Å; S364-T366 PolarHBondContact OG-OG1 3.06Å
367	S	97.3	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-130	178.3	178.4	-57.3	0	0	0	0	111.7	L337 H361 N365 G369 K401	L337-S367 VanDerWaalsContact O-CB 3.23Å; L337-S367 WeakPolarHBondContact O-CB 3.25Å; L337-S367 PolarHBondContact O-OG 2.75Å; H361-S367 WeakPolarHBondContact CB-OG 3.3Å; N365-S367 PolarHBondContact O-N 3.37Å; S367-G369 PolarHBondContact O-N 3.44Å; S367-K401 PolarHBondContact O-NZ 3.42Å
368	T	97.7	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	52.5	56.5	-177.6	-52.2	0	0	0	0	110.1	E342 L357 V359 G360 L373 T398 K401 L402	E342-T368 WeakPolarHBondContact OE1-CA 3.47Å; E342-T368 PolarHBondContact OE1-N 3.49Å; E342-T368 PolarHBondContact OE2-N 3.04Å; L357-T368 HydrophobicContact CD2-CG2 4.42Å; V359-T368 HydrophobicContact CG1-CG2 4.23Å; V359-T368 VanDerWaalsContact CG1-OG1 3.27Å; V359-T368 WeakPolarHBondContact CG1-OG1 3.34Å; G360-T368 PolarHBondContact N-OG1 3.36Å; T368-L373 HydrophobicContact CG2-CD1 4.1Å; T368-L373 HydrophobicContact CG2-CD2 3.66Å; T368-L373 HydrophobicContact CG2-CG 3.97Å; T368-T398 HydrophobicContact CG2-CG2 4.5Å; T368-K401 VanDerWaalsContact O-CE 3.31Å; T368-K401 WeakPolarHBondContact O-CE 3.49Å; T368-K401 PolarHBondContact O-NZ 3.05Å; T368-L402 HydrophobicContact CG2-CD2 4.18Å
369	G	96.8	Very high	97.2	Very high	9 Å²	9	41.6 Å²	41.6	9%	0.093	19%	0.192	C	C	.	.			trans	-61.6	156.3	179.2	0	0	0	0	0	112.2	E342 S367 E371 L372 L373	E342-G369 WeakPolarHBondContact OE2-CA 3.4Å; E342-G369 PolarHBondContact OE2-N 3.46Å; S367-G369 PolarHBondContact O-N 3.44Å; G369-E371 VanDerWaalsContact C-N 3.28Å; G369-E371 PolarHBondContact O-N 3.23Å; G369-L372 PolarHBondContact O-N 2.79Å; G369-L373 PolarHBondContact O-N 3.08Å
370	K	96	Very high	97.2	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	20%	0.204	S	C	.	.	H	α-helix	trans	-58	-42.8	179.4	-179.3	-176	166.3	-165.8	0	111.5	L372 L373 E374	K370-L372 PolarHBondContact O-N 3.42Å; K370-L373 PolarHBondContact O-N 3.29Å; K370-E374 WeakPolarHBondContact CE-OE1 3.46Å; K370-E374 HydrophobicContact CG-CG 4.4Å; K370-E374 IonicContact NZ-OE1 3.24Å; K370-E374 WeakPolarHBondContact O-CG 3.39Å; K370-E374 PolarHBondContact O-N 3.07Å
371	E	95.8	Very high	97.3	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	20%	0.204	S	C	*	.	H	α-helix	trans	-62.2	-41.7	-179.7	-61.8	-168	174.2	0	0	112.2	I346 G369 E374 K375	I346-E371 HydrophobicContact CD1-CB 4Å; G369-E371 VanDerWaalsContact C-N 3.28Å; G369-E371 PolarHBondContact O-N 3.23Å; E371-E374 PolarHBondContact O-N 2.72Å; E371-K375 VanDerWaalsContact O-CB 3.22Å; E371-K375 WeakPolarHBondContact O-CB 3.27Å; E371-K375 PolarHBondContact O-N 2.78Å
372	L	98.2	Very high	97.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-51.8	175	-177.8	72.9	0	0	0	110.6	E342 L345 I346 G369 K370 E374 K375 V376	E342-L372 HydrophobicContact CB-CB 4.37Å; E342-L372 HydrophobicContact CB-CD1 4.48Å; E342-L372 HydrophobicContact CG-CD2 3.95Å; E342-L372 WeakPolarHBondContact OE1-CD2 3.38Å; L345-L372 HydrophobicContact CD2-CD1 4.2Å; I346-L372 HydrophobicContact CD1-CB 4.2Å; I346-L372 HydrophobicContact CD1-CD1 4.37Å; I346-L372 HydrophobicContact CG1-CD1 4.24Å; G369-L372 PolarHBondContact O-N 2.79Å; K370-L372 PolarHBondContact O-N 3.42Å; L372-E374 PolarHBondContact O-N 3.16Å; L372-K375 PolarHBondContact O-N 2.98Å; L372-V376 HydrophobicContact CD1-CG1 3.82Å; L372-V376 HydrophobicContact CG-CG1 4.44Å; L372-V376 HydrophobicContact CG-CG2 4.36Å; L372-V376 VanDerWaalsContact O-CG2 3.3Å; L372-V376 WeakPolarHBondContact O-CG2 3.31Å; L372-V376 PolarHBondContact O-N 3.36Å
373	L	98	Very high	97.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-44.6	-178.1	-66.5	-178.5	0	0	0	112.3	L357 T368 G369 K370 K375 R377 P378 K401 L402 Q405 I407	L357-L373 HydrophobicContact CD2-CD2 3.72Å; T368-L373 HydrophobicContact CG2-CD1 4.1Å; T368-L373 HydrophobicContact CG2-CD2 3.66Å; T368-L373 HydrophobicContact CG2-CG 3.97Å; G369-L373 PolarHBondContact O-N 3.08Å; K370-L373 PolarHBondContact O-N 3.29Å; L373-K375 VanDerWaalsContact C-N 3.27Å; L373-K375 PolarHBondContact O-N 3.26Å; L373-R377 WeakPolarHBondContact O-CA 3.5Å; L373-R377 PolarHBondContact O-N 3.41Å; L373-P378 HydrophobicContact CD2-CG 4.26Å; L373-K401 HydrophobicContact CD1-CB 4.07Å; L373-L402 HydrophobicContact CD1-CD2 4.02Å; L373-L402 HydrophobicContact CD2-CD2 3.84Å; L373-Q405 HydrophobicContact CB-CG 4.31Å; L373-Q405 HydrophobicContact CD1-CG 4.41Å; L373-I407 HydrophobicContact CD1-CD1 4.35Å; L373-I407 HydrophobicContact CD2-CD1 3.83Å; L373-I407 HydrophobicContact CG-CD1 4.5Å
374	E	96.2	Very high	97.4	Very high	83 Å²	83	43.4 Å²	43.4	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-34.2	177.9	-73.1	179.7	170.3	0	0	112.2	K370 E371 L372 R377	K370-E374 WeakPolarHBondContact CE-OE1 3.46Å; K370-E374 HydrophobicContact CG-CG 4.4Å; K370-E374 IonicContact NZ-OE1 3.24Å; K370-E374 WeakPolarHBondContact O-CG 3.39Å; K370-E374 PolarHBondContact O-N 3.07Å; E371-E374 PolarHBondContact O-N 2.72Å; L372-E374 PolarHBondContact O-N 3.16Å; E374-R377 WeakPolarHBondContact O-CG 3.42Å; E374-R377 PolarHBondContact O-NE 3.35Å; E374-R377 VanDerWaalsContact O-NE 3.17Å
375	K	97.2	Very high	97.2	Very high	65 Å²	65	43.1 Å²	43.1	28%	0.283	20%	0.196	S	C	.	.	H	α-helix	trans	-75.2	-56.6	179	-168.5	72.2	-176.9	-179.7	0	112.3	I346 P350 K353 E371 L372 L373	I346-K375 HydrophobicContact CD1-CB 4.38Å; I346-K375 HydrophobicContact CG1-CB 4.25Å; I346-K375 HydrophobicContact CG1-CG 4.27Å; I346-K375 HydrophobicContact CG2-CB 4.42Å; I346-K375 HydrophobicContact CG2-CD 4.11Å; I346-K375 HydrophobicContact CG2-CG 3.94Å; P350-K375 WeakPolarHBondContact O-CE 3.39Å; P350-K375 PolarHBondContact O-NZ 3.36Å; K353-K375 WeakPolarHBondContact CD-O 3.42Å; K353-K375 WeakPolarHBondContact CE-O 3.17Å; K353-K375 PolarHBondContact NZ-O 3.16Å; E371-K375 VanDerWaalsContact O-CB 3.22Å; E371-K375 WeakPolarHBondContact O-CB 3.27Å; E371-K375 PolarHBondContact O-N 2.78Å; L372-K375 PolarHBondContact O-N 2.98Å; L373-K375 VanDerWaalsContact C-N 3.27Å; L373-K375 PolarHBondContact O-N 3.26Å
376	V	98	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-82.9	-21.5	-170.4	-51.7	0	0	0	0	113.1	L332 L352 K353 T354 L372	L332-V376 HydrophobicContact CD2-CB 4.41Å; L332-V376 HydrophobicContact CD2-CG1 3.99Å; L332-V376 HydrophobicContact CD2-CG2 4.45Å; L352-V376 HydrophobicContact CB-CG1 4.45Å; L352-V376 HydrophobicContact CD2-CG1 4.09Å; L352-V376 HydrophobicContact CG-CG1 4.1Å; K353-V376 WeakPolarHBondContact CA-O 3.41Å; T354-V376 HydrophobicContact CG2-CB 4.12Å; T354-V376 HydrophobicContact CG2-CG2 3.9Å; T354-V376 PolarHBondContact N-O 2.96Å; L372-V376 HydrophobicContact CD1-CG1 3.82Å; L372-V376 HydrophobicContact CG-CG1 4.44Å; L372-V376 HydrophobicContact CG-CG2 4.36Å; L372-V376 VanDerWaalsContact O-CG2 3.3Å; L372-V376 WeakPolarHBondContact O-CG2 3.31Å; L372-V376 PolarHBondContact O-N 3.36Å
377	R	97.5	Very high	96.6	Very high	180 Å²	180	45 Å²	45	68%	0.679	20%	0.198	S	C	*	.			trans	46.5	60.6	174.5	-57.5	-172.4	-173.8	178.1	-6.2	113.6	L373 E374	L373-R377 WeakPolarHBondContact O-CA 3.5Å; L373-R377 PolarHBondContact O-N 3.41Å; E374-R377 WeakPolarHBondContact O-CG 3.42Å; E374-R377 PolarHBondContact O-NE 3.35Å; E374-R377 VanDerWaalsContact O-NE 3.17Å
378	P	98.4	Very high	96	Very high	10 Å²	10	54.2 Å²	54.2	7%	0.065	24%	0.238	C	C	.	.			trans	-66.6	149.5	-179.5	32.2	-34	0	0	0	111	T354 L357 L373 I407	T354-P378 HydrophobicContact CG2-CB 3.78Å; T354-P378 WeakPolarHBondContact O-CA 3.33Å; L357-P378 HydrophobicContact CB-CB 3.75Å; L357-P378 HydrophobicContact CB-CG 4.13Å; L357-P378 HydrophobicContact CD2-CG 4.04Å; L373-P378 HydrophobicContact CD2-CG 4.26Å; P378-I407 HydrophobicContact CG-CD1 3.64Å; P378-I407 HydrophobicContact CG-CG1 4.09Å; P378-I407 HydrophobicContact CG-CG2 4.2Å
379	K	98.1	Very high	95.5	Very high	112 Å²	112	55.5 Å²	55.5	49%	0.487	25%	0.245	S	C	.	.	S	Bend	trans	-85.5	-37.2	169	-65.5	172.4	-177.3	149.2	0	110.7	D355 R408	D355-K379 HydrophobicContact CB-CD 4.5Å; D355-K379 PolarHBondContact O-N 2.77Å; D355-K379 WeakPolarHBondContact OD1-CE 3.32Å; D355-K379 IonicContact OD1-NZ 3.77Å; D355-K379 PolarHBondContact OD1-NZ 3.47Å; K379-R408 PolarHBondContact O-N 2.98Å; K379-R408 VanDerWaalsContact O-N 3.12Å
380	Y	98.6	Very high	94.9	Very high	63 Å²	63	63.9 Å²	63.9	25%	0.247	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.4	-177.4	-48.5	-69.3	0	0	0	110.2	D355 F356 L357 R408 F410 I431	D355-Y380 PolarHBondContact O-N 3.06Å; F356-Y380 WeakPolarHBondContact CA-O 3.46Å; F356-Y380 AromaticContact CD1-CD2 3.96Å; F356-Y380 HydrophobicContact CD1-CD2 3.96Å; F356-Y380 HydrophobicContact CD1-CG 4.25Å; F356-Y380 HydrophobicContact CD2-CD2 4.11Å; F356-Y380 AromaticContact CE1-CD2 3.57Å; F356-Y380 HydrophobicContact CE1-CD2 3.57Å; F356-Y380 HydrophobicContact CE1-CE2 4.32Å; F356-Y380 AromaticContact CE1-CG 3.97Å; F356-Y380 HydrophobicContact CE1-CG 3.97Å; F356-Y380 AromaticContact CE2-CD2 3.71Å; F356-Y380 HydrophobicContact CE2-CD2 3.71Å; F356-Y380 HydrophobicContact CE2-CE2 4.05Å; F356-Y380 HydrophobicContact CG-CD2 4.22Å; F356-Y380 AromaticContact CZ-CD2 3.43Å; F356-Y380 HydrophobicContact CZ-CD2 3.43Å; F356-Y380 VanDerWaalsContact CZ-CD2 3.43Å; F356-Y380 AromaticContact CZ-CE2 3.79Å; F356-Y380 HydrophobicContact CZ-CE2 3.79Å; F356-Y380 HydrophobicContact CZ-CG 4.26Å; L357-Y380 PolarHBondContact N-O 3.04Å; Y380-R408 WeakPolarHBondContact CA-O 3.24Å; Y380-R408 HydrophobicContact CD1-CB 4.05Å; Y380-F410 AromaticContact CD1-CE2 3.86Å; Y380-F410 HydrophobicContact CD1-CE2 3.86Å; Y380-F410 HydrophobicContact CG-CE2 4.46Å; Y380-I431 HydrophobicContact CD1-CD1 3.67Å; Y380-I431 HydrophobicContact CD2-CD1 4.04Å; Y380-I431 HydrophobicContact CE1-CD1 3.82Å; Y380-I431 HydrophobicContact CE2-CD1 4.17Å; Y380-I431 HydrophobicContact CG-CD1 3.78Å
381	A	98.6	Very high	94.5	Very high	0 Å²	0	63 Å²	63	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.7	171.6	0	0	0	0	0	108.9	L357 V359 L402 I407 R408 V409 F410	L357-A381 CarbonylContact O-C 3.59Å; L357-A381 WeakPolarHBondContact O-CA 3.49Å; V359-A381 HydrophobicContact CG2-CB 3.68Å; A381-L402 HydrophobicContact CB-CD1 4.2Å; A381-L402 HydrophobicContact CB-CD2 3.82Å; A381-I407 HydrophobicContact CB-CG2 3.58Å; A381-R408 PolarHBondContact N-O 3.25Å; A381-V409 HydrophobicContact CB-CG2 4.39Å; A381-V409 CarbonylContact O-C 3.59Å; A381-V409 WeakPolarHBondContact O-CA 3.39Å; A381-F410 PolarHBondContact O-N 3.29Å
382	I	98.6	Very high	94.3	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.2	178.8	-59.6	170.9	0	0	0	108.2	F179 F356 L357 K358 V359 F410 I418	F179-I382 HydrophobicContact CB-CG2 3.9Å; F179-I382 HydrophobicContact CD1-CB 4.17Å; F179-I382 HydrophobicContact CD1-CG2 3.56Å; F179-I382 HydrophobicContact CD2-CD1 3.5Å; F179-I382 VanDerWaalsContact CD2-CD1 3.5Å; F179-I382 HydrophobicContact CD2-CG2 4.06Å; F179-I382 HydrophobicContact CE1-CB 4.13Å; F179-I382 HydrophobicContact CE1-CD1 4.29Å; F179-I382 HydrophobicContact CE1-CG2 4.05Å; F179-I382 HydrophobicContact CE2-CD1 3.24Å; F179-I382 HydrophobicContact CE2-CG1 4.45Å; F179-I382 HydrophobicContact CG-CB 4.39Å; F179-I382 HydrophobicContact CG-CD1 4.16Å; F179-I382 HydrophobicContact CG-CG2 3.57Å; F179-I382 HydrophobicContact CZ-CB 4.34Å; F179-I382 HydrophobicContact CZ-CD1 3.68Å; F356-I382 HydrophobicContact CD1-CD1 3.95Å; L357-I382 PolarHBondContact O-N 3.22Å; K358-I382 WeakPolarHBondContact CA-O 3.34Å; V359-I382 PolarHBondContact N-O 2.96Å; I382-F410 WeakPolarHBondContact CA-O 3.37Å; I382-F410 HydrophobicContact CG1-CB 4.47Å; I382-I418 HydrophobicContact CD1-CG2 4.09Å; I382-I418 HydrophobicContact CG1-CG2 4.33Å; I382-I418 HydrophobicContact CG2-CB 4.49Å; I382-I418 HydrophobicContact CG2-CD1 4.06Å; I382-I418 HydrophobicContact CG2-CG2 4.49Å
383	I	98.3	Very high	94.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.8	-179.9	-51.2	-178.1	0	0	0	107.8	V359 H362 A385 P394 L399 L402 V409 F410 R411 T412	V359-I383 HydrophobicContact CB-CG1 3.82Å; V359-I383 HydrophobicContact CG1-CD1 4.48Å; V359-I383 HydrophobicContact CG1-CG1 4.14Å; V359-I383 HydrophobicContact CG2-CD1 4.4Å; V359-I383 HydrophobicContact CG2-CG1 3.66Å; H362-I383 VanDerWaalsContact O-CG2 3.26Å; H362-I383 WeakPolarHBondContact O-CG2 3.21Å; I383-A385 HydrophobicContact CG2-CB 4.14Å; I383-A385 PolarHBondContact O-N 3.11Å; I383-P394 HydrophobicContact CD1-CB 3.9Å; I383-P394 HydrophobicContact CD1-CG 4.12Å; I383-P394 HydrophobicContact CG2-CB 3.98Å; I383-P394 HydrophobicContact CG2-CG 4.18Å; I383-L399 HydrophobicContact CD1-CD2 3.8Å; I383-L402 HydrophobicContact CD1-CD1 4.07Å; I383-V409 HydrophobicContact CD1-CG1 3.66Å; I383-V409 HydrophobicContact CG1-CG1 4.1Å; I383-F410 PolarHBondContact N-O 2.95Å; I383-R411 HydrophobicContact CB-CG 4.07Å; I383-R411 HydrophobicContact CD1-CG 4.12Å; I383-R411 HydrophobicContact CG1-CG 4.35Å; I383-R411 WeakPolarHBondContact O-CA 3.35Å; I383-T412 PolarHBondContact O-N 3.16Å
384	S	96.4	Very high	94.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	27%	0.272	C	S	.	.			trans	-80	111.4	167	-35.7	0	0	0	0	108.1	G185 D186 H362 T412	G185-S384 WeakPolarHBondContact O-CB 3.45Å; D186-S384 WeakPolarHBondContact OD1-CB 3.25Å; D186-S384 PolarHBondContact OD1-OG 3.43Å; H362-S384 VanDerWaalsContact CB-O 3.28Å; H362-S384 WeakPolarHBondContact CB-O 3.4Å; H362-S384 PolarHBondContact ND1-O 2.98Å; S384-T412 WeakPolarHBondContact CA-OG1 3.41Å
385	A	95	Very high	94.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	26%	0.261	C	S	.	.			trans	-148.2	157.5	178.5	0	0	0	0	0	110.4	G183 I383 T412 D413	G183-A385 CarbonylContact O-C 3.56Å; I383-A385 HydrophobicContact CG2-CB 4.14Å; I383-A385 PolarHBondContact O-N 3.11Å; A385-T412 PolarHBondContact N-OG1 3.17Å; A385-T412 PolarHBondContact O-OG1 3.25Å; A385-D413 WeakPolarHBondContact O-CB 3.48Å; A385-D413 PolarHBondContact O-N 3.02Å
386	G	90	Very high	94.1	Very high	6 Å²	6	61.6 Å²	61.6	6%	0.062	28%	0.278	C	S	.	.			trans	-93.1	140.5	176.8	0	0	0	0	0	112.3	G183 K388 N389	G183-G386 WeakPolarHBondContact O-CA 3.47Å; G183-G386 PolarHBondContact O-N 2.89Å; G386-K388 PolarHBondContact O-N 3.48Å; G386-N389 WeakPolarHBondContact O-CB 3.5Å; G386-N389 PolarHBondContact O-N 3.32Å; G386-N389 PolarHBondContact O-ND2 3.33Å
387	K	87.3	Confident	94	Very high	164 Å²	164	66.7 Å²	66.7	71%	0.713	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	125.4	175.1	-173.5	171.6	-174.8	170.9	0	110.9	N389 D413	K387-N389 PolarHBondContact O-N 3.35Å; K387-D413 HydrophobicContact CB-CB 4.2Å
388	K	85.4	Confident	94	Very high	194 Å²	194	58.1 Å²	58.1	84%	0.843	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	38.7	-177.9	-58.2	-179.9	178.9	-175.3	0	112.8	G386	G386-K388 PolarHBondContact O-N 3.48Å
389	N	87.9	Confident	94	Very high	27 Å²	27	59.1 Å²	59.1	14%	0.144	27%	0.274	C	S	.	.			trans	-60.4	155.1	171.7	68.6	79.8	0	0	0	110.7	Q184 G386 K387 Y391 G392 H393	Q184-N389 HydrophobicContact CB-CB 4.29Å; Q184-N389 HydrophobicContact CG-CB 4.28Å; Q184-N389 PolarHBondContact OE1-ND2 3.2Å; G386-N389 WeakPolarHBondContact O-CB 3.5Å; G386-N389 PolarHBondContact O-N 3.32Å; G386-N389 PolarHBondContact O-ND2 3.33Å; K387-N389 PolarHBondContact O-N 3.35Å; N389-Y391 VanDerWaalsContact C-N 3.28Å; N389-Y391 PolarHBondContact O-N 3.24Å; N389-Y391 PolarHBondContact OD1-N 3.44Å; N389-G392 PolarHBondContact O-N 3.11Å; N389-G392 PolarHBondContact OD1-N 3.13Å; N389-H393 PolarHBondContact ND2-O 3.06Å; N389-H393 PolarHBondContact OD1-N 2.94Å
390	R	84.4	Confident	94	Very high	185 Å²	185	57.3 Å²	57.3	70%	0.698	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.6	-173	-66.3	-178.1	175	-166.8	-3.6	114.2
391	Y	86.7	Confident	93.9	Very high	107 Å²	107	56.1 Å²	56.1	42%	0.42	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.1	179.7	-53.4	-81.8	0	0	0	112.5	Q184 L207 N389 H393	Q184-Y391 HydrophobicContact CG-CD2 4.34Å; Q184-Y391 HydrophobicContact CG-CE2 4.28Å; L207-Y391 HydrophobicContact CD1-CE2 3.42Å; L207-Y391 VanDerWaalsContact CD1-CE2 3.42Å; L207-Y391 WeakPolarHBondContact CD1-OH 3.13Å; L207-Y391 WeakPolarHBondContact CD2-OH 3.16Å; N389-Y391 VanDerWaalsContact C-N 3.28Å; N389-Y391 PolarHBondContact O-N 3.24Å; N389-Y391 PolarHBondContact OD1-N 3.44Å; Y391-H393 VanDerWaalsContact C-N 3.33Å
392	G	91.1	Very high	93.9	Very high	48 Å²	48	56.1 Å²	56.1	50%	0.495	27%	0.269	S	S	.	.			trans	76	23.5	-172.7	0	0	0	0	0	112.9	N389 P394	N389-G392 PolarHBondContact O-N 3.11Å; N389-G392 PolarHBondContact OD1-N 3.13Å; G392-P394 CarbonylContact O-C 3.5Å
393	H	94.8	Very high	93.8	Very high	21 Å²	21	61.9 Å²	61.9	10%	0.097	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-79.4	149.2	175.8	-67.7	175.9	0	0	0	111.6	H361 H362 N389 Y391	H361-H393 AromaticContact CD2-CE1 3.9Å; H361-H393 AromaticContact NE2-CE1 4Å; H361-H393 PolarHBondContact O-ND1 3.07Å; H362-H393 HydrophobicContact CB-CB 4.27Å; H362-H393 WeakPolarHBondContact O-CB 3.44Å; N389-H393 PolarHBondContact ND2-O 3.06Å; N389-H393 PolarHBondContact OD1-N 2.94Å; Y391-H393 VanDerWaalsContact C-N 3.33Å
394	P	96.9	Very high	93.7	Very high	11 Å²	11	70 Å²	70	7%	0.071	34%	0.335	C	S	.	.	S	Bend	cis	-65.3	145.2	-18.8	28.9	-34	0	0	0	111.2	G363 I383 G392 L399	G363-P394 WeakPolarHBondContact O-CA 3.27Å; I383-P394 HydrophobicContact CD1-CB 3.9Å; I383-P394 HydrophobicContact CD1-CG 4.12Å; I383-P394 HydrophobicContact CG2-CB 3.98Å; I383-P394 HydrophobicContact CG2-CG 4.18Å; G392-P394 CarbonylContact O-C 3.5Å; P394-L399 HydrophobicContact CB-CD2 4.22Å; P394-L399 HydrophobicContact CB-CG 4.3Å; P394-L399 HydrophobicContact CG-CD1 4.26Å; P394-L399 HydrophobicContact CG-CD2 4.05Å; P394-L399 HydrophobicContact CG-CG 4.29Å
395	T	97.2	Very high	93.7	Very high	25 Å²	25	73.4 Å²	73.4	15%	0.153	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-70.7	149.8	177.3	65.1	0	0	0	0	111.2	G363 N365 E397 T398 L399	G363-T395 PolarHBondContact O-N 2.77Å; G363-T395 PolarHBondContact O-OG1 2.76Å; N365-T395 HydrophobicContact CB-CG2 4.27Å; T395-E397 PolarHBondContact O-N 3.01Å; T395-T398 PolarHBondContact O-N 3.02Å; T395-T398 PolarHBondContact OG1-N 3.44Å; T395-T398 PolarHBondContact OG1-OG1 2.76Å; T395-L399 WeakPolarHBondContact O-CG 3.28Å; T395-L399 PolarHBondContact O-N 2.82Å; T395-L399 VanDerWaalsContact O-N 3.09Å
396	Q	96.5	Very high	93.7	Very high	138 Å²	138	82.7 Å²	82.7	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-61.8	-31	176.6	-171.2	57.9	40.5	0	0	112.1	T400	Q396-T400 WeakPolarHBondContact O-CB 3.11Å; Q396-T400 PolarHBondContact O-N 2.89Å; Q396-T400 PolarHBondContact O-OG1 2.81Å
397	E	97	Very high	94.1	Very high	107 Å²	107	82.9 Å²	82.9	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-50.2	174.6	-171.3	-173.6	154.4	0	0	111.2	N365 T395 L399 T400 K401	N365-E397 HydrophobicContact CB-CB 4.41Å; N365-E397 WeakPolarHBondContact CB-OE2 3.17Å; N365-E397 PolarHBondContact ND2-OE2 2.84Å; T395-E397 PolarHBondContact O-N 3.01Å; E397-L399 PolarHBondContact O-N 2.81Å; E397-T400 WeakPolarHBondContact O-CB 3.41Å; E397-T400 PolarHBondContact O-N 3.47Å; E397-T400 VanDerWaalsContact O-N 3.16Å; E397-K401 WeakPolarHBondContact O-CG 3.36Å; E397-K401 PolarHBondContact O-N 3.3Å
398	T	97.4	Very high	94.6	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.1	-40.1	178.6	-66.7	0	0	0	0	112.3	V359 G363 S364 T368 T395 T400 K401 L402	V359-T398 HydrophobicContact CG1-CG2 4.03Å; G363-T398 WeakPolarHBondContact O-CB 3.3Å; S364-T398 PolarHBondContact O-OG1 2.64Å; T368-T398 HydrophobicContact CG2-CG2 4.5Å; T395-T398 PolarHBondContact O-N 3.02Å; T395-T398 PolarHBondContact OG1-N 3.44Å; T395-T398 PolarHBondContact OG1-OG1 2.76Å; T398-T400 VanDerWaalsContact C-N 3.29Å; T398-T400 PolarHBondContact O-N 2.97Å; T398-K401 WeakPolarHBondContact O-CB 3.37Å; T398-K401 PolarHBondContact O-N 2.56Å; T398-K401 WeakPolarHBondContact OG1-CE 3.46Å; T398-L402 HydrophobicContact CG2-CD1 4.24Å; T398-L402 WeakPolarHBondContact O-CG 3.24Å; T398-L402 PolarHBondContact O-N 2.94Å
399	L	97.9	Very high	95.2	Very high	30 Å²	30	75.1 Å²	75.1	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-39.6	172.8	-65.9	176.6	0	0	0	112.1	I383 P394 T395 E397 L402 N403 V409	I383-L399 HydrophobicContact CD1-CD2 3.8Å; P394-L399 HydrophobicContact CB-CD2 4.22Å; P394-L399 HydrophobicContact CB-CG 4.3Å; P394-L399 HydrophobicContact CG-CD1 4.26Å; P394-L399 HydrophobicContact CG-CD2 4.05Å; P394-L399 HydrophobicContact CG-CG 4.29Å; T395-L399 WeakPolarHBondContact O-CG 3.28Å; T395-L399 PolarHBondContact O-N 2.82Å; T395-L399 VanDerWaalsContact O-N 3.09Å; E397-L399 PolarHBondContact O-N 2.81Å; L399-L402 PolarHBondContact O-N 3.18Å; L399-N403 WeakPolarHBondContact O-CB 3.33Å; L399-N403 PolarHBondContact O-N 3.16Å; L399-V409 HydrophobicContact CD2-CG1 4.36Å
400	T	97.8	Very high	95.7	Very high	75 Å²	75	74.1 Å²	74.1	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-66.8	-41.8	177.3	-56.6	0	0	0	0	111.5	Q396 E397 T398 L402 N403 K404	Q396-T400 WeakPolarHBondContact O-CB 3.11Å; Q396-T400 PolarHBondContact O-N 2.89Å; Q396-T400 PolarHBondContact O-OG1 2.81Å; E397-T400 WeakPolarHBondContact O-CB 3.41Å; E397-T400 PolarHBondContact O-N 3.47Å; E397-T400 VanDerWaalsContact O-N 3.16Å; T398-T400 VanDerWaalsContact C-N 3.29Å; T398-T400 PolarHBondContact O-N 2.97Å; T400-L402 VanDerWaalsContact C-N 3.34Å; T400-L402 PolarHBondContact O-N 2.58Å; T400-N403 PolarHBondContact O-N 2.89Å; T400-K404 WeakPolarHBondContact O-CB 3.46Å; T400-K404 PolarHBondContact O-N 2.84Å
401	K	97.3	Very high	96.3	Very high	38 Å²	38	67.2 Å²	67.2	17%	0.165	32%	0.324	C	S	.	.	H	α-helix	trans	-55.9	-48.1	173.4	-73.5	-175.8	-69.6	-179.2	0	111.1	S367 T368 L373 E397 T398 Q405	S367-K401 PolarHBondContact O-NZ 3.42Å; T368-K401 VanDerWaalsContact O-CE 3.31Å; T368-K401 WeakPolarHBondContact O-CE 3.49Å; T368-K401 PolarHBondContact O-NZ 3.05Å; L373-K401 HydrophobicContact CD1-CB 4.07Å; E397-K401 WeakPolarHBondContact O-CG 3.36Å; E397-K401 PolarHBondContact O-N 3.3Å; T398-K401 WeakPolarHBondContact O-CB 3.37Å; T398-K401 PolarHBondContact O-N 2.56Å; T398-K401 WeakPolarHBondContact OG1-CE 3.46Å; K401-Q405 PolarHBondContact O-N 3.1Å
402	L	98	Very high	96.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-46.2	-179.5	-68	168.7	0	0	0	112.3	V359 T368 L373 A381 I383 T398 L399 T400 K404 Q405 K406 I407 V409	V359-L402 HydrophobicContact CG2-CD1 4.05Å; T368-L402 HydrophobicContact CG2-CD2 4.18Å; L373-L402 HydrophobicContact CD1-CD2 4.02Å; L373-L402 HydrophobicContact CD2-CD2 3.84Å; A381-L402 HydrophobicContact CB-CD1 4.2Å; A381-L402 HydrophobicContact CB-CD2 3.82Å; I383-L402 HydrophobicContact CD1-CD1 4.07Å; T398-L402 HydrophobicContact CG2-CD1 4.24Å; T398-L402 WeakPolarHBondContact O-CG 3.24Å; T398-L402 PolarHBondContact O-N 2.94Å; L399-L402 PolarHBondContact O-N 3.18Å; T400-L402 VanDerWaalsContact C-N 3.34Å; T400-L402 PolarHBondContact O-N 2.58Å; L402-K404 PolarHBondContact O-N 2.96Å; L402-Q405 PolarHBondContact O-N 3.32Å; L402-K406 PolarHBondContact O-N 2.88Å; L402-I407 HydrophobicContact CD2-CD1 3.77Å; L402-I407 PolarHBondContact O-N 3.14Å; L402-V409 HydrophobicContact CB-CG2 3.78Å; L402-V409 HydrophobicContact CD1-CG2 3.89Å; L402-V409 HydrophobicContact CG-CG2 4.41Å
403	N	96.7	Very high	96.6	Very high	123 Å²	123	61.3 Å²	61.3	66%	0.658	29%	0.289	S	S	*	.	H	α-helix	trans	-64	-40.1	179.6	-172.1	44.8	0	0	0	112.1	L399 T400 Q405 K406	L399-N403 WeakPolarHBondContact O-CB 3.33Å; L399-N403 PolarHBondContact O-N 3.16Å; T400-N403 PolarHBondContact O-N 2.89Å; N403-Q405 PolarHBondContact O-N 3.31Å; N403-K406 WeakPolarHBondContact O-CA 3.38Å; N403-K406 PolarHBondContact O-N 3.47Å
404	K	96.5	Very high	96.5	Very high	170 Å²	170	65.1 Å²	65.1	74%	0.739	31%	0.306	S	S	*	.	H	α-helix	trans	-59.9	-32.2	176.8	-174.8	174	-179.8	174.5	0	112.6	T400 L402 K406	T400-K404 WeakPolarHBondContact O-CB 3.46Å; T400-K404 PolarHBondContact O-N 2.84Å; L402-K404 PolarHBondContact O-N 2.96Å; K404-K406 VanDerWaalsContact C-N 3.27Å
405	Q	95.1	Very high	96.3	Very high	72 Å²	72	66.4 Å²	66.4	34%	0.336	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.3	175.9	-64.8	-68.6	-15.6	0	0	113.1	L373 K401 L402 N403 I407	L373-Q405 HydrophobicContact CB-CG 4.31Å; L373-Q405 HydrophobicContact CD1-CG 4.41Å; K401-Q405 PolarHBondContact O-N 3.1Å; L402-Q405 PolarHBondContact O-N 3.32Å; N403-Q405 PolarHBondContact O-N 3.31Å; Q405-I407 HydrophobicContact CB-CD1 3.62Å; Q405-I407 HydrophobicContact CB-CG1 3.82Å; Q405-I407 HydrophobicContact CG-CD1 4.45Å; Q405-I407 PolarHBondContact O-N 3.26Å
406	K	95.9	Very high	95.9	Very high	195 Å²	195	65.2 Å²	65.2	85%	0.848	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.3	-177.7	-56.6	-178.4	178.3	-178.3	0	113.2	L402 N403 K404	L402-K406 PolarHBondContact O-N 2.88Å; N403-K406 WeakPolarHBondContact O-CA 3.38Å; N403-K406 PolarHBondContact O-N 3.47Å; K404-K406 VanDerWaalsContact C-N 3.27Å
407	I	98.1	Very high	95.5	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.056	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-84.2	131.2	177.9	-57.9	162.2	0	0	0	108.4	L373 P378 A381 L402 Q405 V409	L373-I407 HydrophobicContact CD1-CD1 4.35Å; L373-I407 HydrophobicContact CD2-CD1 3.83Å; L373-I407 HydrophobicContact CG-CD1 4.5Å; P378-I407 HydrophobicContact CG-CD1 3.64Å; P378-I407 HydrophobicContact CG-CG1 4.09Å; P378-I407 HydrophobicContact CG-CG2 4.2Å; A381-I407 HydrophobicContact CB-CG2 3.58Å; L402-I407 HydrophobicContact CD2-CD1 3.77Å; L402-I407 PolarHBondContact O-N 3.14Å; Q405-I407 HydrophobicContact CB-CD1 3.62Å; Q405-I407 HydrophobicContact CB-CG1 3.82Å; Q405-I407 HydrophobicContact CG-CD1 4.45Å; Q405-I407 PolarHBondContact O-N 3.26Å; I407-V409 PolarHBondContact O-N 2.94Å
408	R	97.8	Very high	95.4	Very high	153 Å²	153	54.5 Å²	54.5	58%	0.577	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.8	175.6	-176.3	175.9	-176.5	-178.2	0.4	109.5	K379 Y380 A381 F410	K379-R408 PolarHBondContact O-N 2.98Å; K379-R408 VanDerWaalsContact O-N 3.12Å; Y380-R408 WeakPolarHBondContact CA-O 3.24Å; Y380-R408 HydrophobicContact CD1-CB 4.05Å; A381-R408 PolarHBondContact N-O 3.25Å; R408-F410 HydrophobicContact CG-CE2 3.89Å; R408-F410 HydrophobicContact CG-CZ 3.98Å; R408-F410 VanDerWaalsContact NE-CZ 3.31Å
409	V	98.2	Very high	95.3	Very high	42 Å²	42	57.1 Å²	57.1	26%	0.255	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.1	-175.7	-176.8	0	0	0	0	110.6	A381 I383 L399 L402 I407 R411	A381-V409 HydrophobicContact CB-CG2 4.39Å; A381-V409 CarbonylContact O-C 3.59Å; A381-V409 WeakPolarHBondContact O-CA 3.39Å; I383-V409 HydrophobicContact CD1-CG1 3.66Å; I383-V409 HydrophobicContact CG1-CG1 4.1Å; L399-V409 HydrophobicContact CD2-CG1 4.36Å; L402-V409 HydrophobicContact CB-CG2 3.78Å; L402-V409 HydrophobicContact CD1-CG2 3.89Å; L402-V409 HydrophobicContact CG-CG2 4.41Å; I407-V409 PolarHBondContact O-N 2.94Å; V409-R411 HydrophobicContact CG1-CG 4Å
410	F	98	Very high	95.2	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.022	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.9	168.2	-59.1	-87.4	0	0	0	109.4	Y380 A381 I382 I383 R408 Q415 I418 I431 L433	Y380-F410 AromaticContact CD1-CE2 3.86Å; Y380-F410 HydrophobicContact CD1-CE2 3.86Å; Y380-F410 HydrophobicContact CG-CE2 4.46Å; A381-F410 PolarHBondContact O-N 3.29Å; I382-F410 WeakPolarHBondContact CA-O 3.37Å; I382-F410 HydrophobicContact CG1-CB 4.47Å; I383-F410 PolarHBondContact N-O 2.95Å; R408-F410 HydrophobicContact CG-CE2 3.89Å; R408-F410 HydrophobicContact CG-CZ 3.98Å; R408-F410 VanDerWaalsContact NE-CZ 3.31Å; F410-Q415 VanDerWaalsContact CA-OE1 3.26Å; F410-I418 HydrophobicContact CB-CD1 3.59Å; F410-I418 HydrophobicContact CB-CG1 4.1Å; F410-I418 HydrophobicContact CB-CG2 4.02Å; F410-I418 HydrophobicContact CG-CG2 4.32Å; F410-I431 HydrophobicContact CD2-CD1 4.46Å; F410-I431 HydrophobicContact CE1-CG2 4.15Å; F410-I431 HydrophobicContact CE2-CD1 3.56Å; F410-I431 HydrophobicContact CE2-CG2 4.31Å; F410-I431 HydrophobicContact CZ-CB 4.47Å; F410-I431 HydrophobicContact CZ-CD1 3.82Å; F410-I431 HydrophobicContact CZ-CG2 3.99Å; F410-L433 HydrophobicContact CD1-CD1 4.48Å; F410-L433 HydrophobicContact CD1-CD2 3.61Å; F410-L433 HydrophobicContact CE1-CD1 4.49Å; F410-L433 HydrophobicContact CE1-CD2 3.97Å
411	R	97.1	Very high	94.9	Very high	40 Å²	40	53.2 Å²	53.2	15%	0.151	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.8	-174.8	-56.4	164.6	48.6	166	-0	112.4	I383 V409 D413 Q414 Q415 I418	I383-R411 HydrophobicContact CB-CG 4.07Å; I383-R411 HydrophobicContact CD1-CG 4.12Å; I383-R411 HydrophobicContact CG1-CG 4.35Å; I383-R411 WeakPolarHBondContact O-CA 3.35Å; V409-R411 HydrophobicContact CG1-CG 4Å; R411-D413 VanDerWaalsContact C-N 3.29Å; R411-D413 WeakPolarHBondContact CB-OD1 3.47Å; R411-D413 IonicContact CZ-OD1 3.86Å; R411-D413 IonicContact CZ-OD2 3.1Å; R411-D413 IonicContact NE-OD1 3.58Å; R411-D413 PolarHBondContact NE-OD1 3.12Å; R411-D413 IonicContact NE-OD2 3.5Å; R411-D413 IonicContact NH2-OD1 3.44Å; R411-D413 PolarHBondContact NH2-OD1 3.04Å; R411-D413 IonicContact NH2-OD2 3.01Å; R411-D413 PolarHBondContact NH2-OD2 3.1Å; R411-D413 PolarHBondContact O-N 2.85Å; R411-Q414 HydrophobicContact CB-CB 4.45Å; R411-Q414 HydrophobicContact CB-CG 4.48Å; R411-Q414 PolarHBondContact O-N 2.89Å; R411-Q415 PolarHBondContact O-N 3.03Å; R411-Q415 PolarHBondContact O-OE1 3.43Å; R411-I418 VanDerWaalsContact C-CD1 3.45Å
412	T	93	Very high	94.5	Very high	2 Å²	2	52 Å²	52	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-31.5	-178.2	57.1	0	0	0	0	112.8	I383 S384 A385 Q414 G416 I418	I383-T412 PolarHBondContact O-N 3.16Å; S384-T412 WeakPolarHBondContact CA-OG1 3.41Å; A385-T412 PolarHBondContact N-OG1 3.17Å; A385-T412 PolarHBondContact O-OG1 3.25Å; T412-Q414 PolarHBondContact O-N 2.98Å; T412-G416 VanDerWaalsContact CA-O 3.23Å; T412-G416 WeakPolarHBondContact CA-O 3.16Å; T412-G416 VanDerWaalsContact O-CA 3.26Å; T412-G416 WeakPolarHBondContact O-CA 3.48Å; T412-G416 PolarHBondContact O-N 2.89Å; T412-I418 HydrophobicContact CG2-CD1 4.03Å
413	D	92.3	Very high	93.8	Very high	29 Å²	29	53.1 Å²	53.1	16%	0.155	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-19	177.8	71.3	-50.6	0	0	0	114.1	A385 K387 R411	A385-D413 WeakPolarHBondContact O-CB 3.48Å; A385-D413 PolarHBondContact O-N 3.02Å; K387-D413 HydrophobicContact CB-CB 4.2Å; R411-D413 VanDerWaalsContact C-N 3.29Å; R411-D413 WeakPolarHBondContact CB-OD1 3.47Å; R411-D413 IonicContact CZ-OD1 3.86Å; R411-D413 IonicContact CZ-OD2 3.1Å; R411-D413 IonicContact NE-OD1 3.58Å; R411-D413 PolarHBondContact NE-OD1 3.12Å; R411-D413 IonicContact NE-OD2 3.5Å; R411-D413 IonicContact NH2-OD1 3.44Å; R411-D413 PolarHBondContact NH2-OD1 3.04Å; R411-D413 IonicContact NH2-OD2 3.01Å; R411-D413 PolarHBondContact NH2-OD2 3.1Å; R411-D413 PolarHBondContact O-N 2.85Å
414	Q	92.2	Very high	92.8	Very high	101 Å²	101	48 Å²	48	47%	0.472	22%	0.217	S	C	.	.	H	α-helix	trans	-105	-41.9	178	-64.6	-171.5	-36.4	0	0	112.3	R411 T412 F437	R411-Q414 HydrophobicContact CB-CB 4.45Å; R411-Q414 HydrophobicContact CB-CG 4.48Å; R411-Q414 PolarHBondContact O-N 2.89Å; T412-Q414 PolarHBondContact O-N 2.98Å; Q414-F437 WeakPolarHBondContact O-CE2 3.42Å
415	Q	92.8	Very high	91.7	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-112.7	3.9	-167.4	-65.7	154.6	-50.5	0	0	113.3	F410 R411 I418 L433 L434 I435	F410-Q415 VanDerWaalsContact CA-OE1 3.26Å; R411-Q415 PolarHBondContact O-N 3.03Å; R411-Q415 PolarHBondContact O-OE1 3.43Å; Q415-I418 HydrophobicContact CB-CG1 4.34Å; Q415-L433 HydrophobicContact CB-CB 4.36Å; Q415-L433 HydrophobicContact CB-CD1 4.33Å; Q415-L433 HydrophobicContact CB-CD2 4.21Å; Q415-L433 HydrophobicContact CG-CD1 4.06Å; Q415-L434 PolarHBondContact O-N 3.13Å; Q415-I435 PolarHBondContact O-N 3.08Å
416	G	89.1	Confident	90.8	Very high	1 Å²	1	41 Å²	41	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	64.2	-142.4	-173.7	0	0	0	0	0	111.4	T412 I418	T412-G416 VanDerWaalsContact CA-O 3.23Å; T412-G416 WeakPolarHBondContact CA-O 3.16Å; T412-G416 VanDerWaalsContact O-CA 3.26Å; T412-G416 WeakPolarHBondContact O-CA 3.48Å; T412-G416 PolarHBondContact O-N 2.89Å; G416-I418 PolarHBondContact O-N 3.08Å
417	M	88	Confident	90	Very high	19 Å²	19	37.4 Å²	37.4	9%	0.094	18%	0.177	C	C	.	.	S	Bend	trans	-64.3	130.6	176.4	176.7	179.2	71.5	0	0	111.2	A178 F179 V180 F230 Y419 L434	A178-M417 HydrophobicContact CB-SD 4.17Å; F179-M417 WeakPolarHBondContact O-CA 3.38Å; F179-M417 WeakPolarHBondContact O-CG 3.14Å; V180-M417 HydrophobicContact CG2-SD 4.41Å; F230-M417 HydrophobicContact CD1-SD 4.45Å; F230-M417 HydrophobicContact CD2-CE 4.01Å; F230-M417 HydrophobicContact CD2-SD 3.78Å; F230-M417 HydrophobicContact CE1-SD 4.2Å; F230-M417 HydrophobicContact CE2-CE 3.69Å; F230-M417 HydrophobicContact CE2-SD 3.5Å; F230-M417 VanDerWaalsContact CE2-SD 3.5Å; F230-M417 HydrophobicContact CG-SD 4.23Å; F230-M417 HydrophobicContact CZ-CE 4.4Å; F230-M417 HydrophobicContact CZ-SD 3.72Å; M417-Y419 HydrophobicContact CE-CD1 3.73Å; M417-Y419 HydrophobicContact CE-CE1 3.83Å; M417-Y419 HydrophobicContact CG-CD1 4.23Å; M417-L434 HydrophobicContact CB-CB 4.04Å; M417-L434 HydrophobicContact CB-CD2 4.16Å; M417-L434 PolarHBondContact O-N 2.7Å
418	I	94.9	Very high	89.2	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.1	176.1	-62.7	148.1	0	0	0	107.7	F179 I382 F410 R411 T412 Q415 G416 I431 L433	F179-I418 WeakPolarHBondContact CB-O 3.38Å; F179-I418 PolarHBondContact N-O 3.14Å; F179-I418 PolarHBondContact O-N 3.22Å; I382-I418 HydrophobicContact CD1-CG2 4.09Å; I382-I418 HydrophobicContact CG1-CG2 4.33Å; I382-I418 HydrophobicContact CG2-CB 4.49Å; I382-I418 HydrophobicContact CG2-CD1 4.06Å; I382-I418 HydrophobicContact CG2-CG2 4.49Å; F410-I418 HydrophobicContact CB-CD1 3.59Å; F410-I418 HydrophobicContact CB-CG1 4.1Å; F410-I418 HydrophobicContact CB-CG2 4.02Å; F410-I418 HydrophobicContact CG-CG2 4.32Å; R411-I418 VanDerWaalsContact C-CD1 3.45Å; T412-I418 HydrophobicContact CG2-CD1 4.03Å; Q415-I418 HydrophobicContact CB-CG1 4.34Å; G416-I418 PolarHBondContact O-N 3.08Å; I418-I431 HydrophobicContact CG2-CG2 4.08Å; I418-L433 HydrophobicContact CB-CD2 4.45Å; I418-L433 HydrophobicContact CG1-CD2 3.91Å; I418-L433 HydrophobicContact CG2-CD2 4.16Å
419	Y	94.6	Very high	88.8	Confident	54 Å²	54	38 Å²	38	21%	0.212	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.3	-179	63.1	-78	0	0	0	112.9	V177 M417 H421 I431 K432	V177-Y419 CarbonylContact O-C 3.57Å; V177-Y419 VanDerWaalsContact O-CA 3.26Å; V177-Y419 WeakPolarHBondContact O-CA 3.37Å; V177-Y419 WeakPolarHBondContact O-CB 3.25Å; M417-Y419 HydrophobicContact CE-CD1 3.73Å; M417-Y419 HydrophobicContact CE-CE1 3.83Å; M417-Y419 HydrophobicContact CG-CD1 4.23Å; Y419-H421 HydrophobicContact CD2-CB 4.08Å; Y419-H421 AromaticContact CD2-CD2 3.94Å; Y419-H421 HydrophobicContact CE2-CB 4.28Å; Y419-H421 AromaticContact CE2-CD2 3.53Å; Y419-I431 WeakPolarHBondContact O-CA 3.46Å; Y419-K432 HydrophobicContact CD1-CB 4.05Å; Y419-K432 WeakPolarHBondContact CD1-O 3.27Å; Y419-K432 HydrophobicContact CD2-CB 4.16Å; Y419-K432 HydrophobicContact CE1-CB 3.49Å; Y419-K432 VanDerWaalsContact CE1-CB 3.49Å; Y419-K432 HydrophobicContact CE2-CB 3.63Å; Y419-K432 HydrophobicContact CE2-CG 4.03Å; Y419-K432 HydrophobicContact CG-CB 4.35Å; Y419-K432 PolarHBondContact N-O 3.24Å; Y419-K432 PolarHBondContact O-N 3.38Å; Y419-K432 WeakPolarHBondContact OH-CB 3.33Å
420	Y	96	Very high	88.5	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.4	165.2	175.5	-110.3	0	0	0	108.1	M176 V177 N327 Q329 F331 F356 W422 E430 I431	M176-Y420 CarbonylContact C-O 3.36Å; M176-Y420 VanDerWaalsContact CA-O 3.22Å; M176-Y420 WeakPolarHBondContact CA-O 3.4Å; V177-Y420 PolarHBondContact N-O 3.16Å; V177-Y420 PolarHBondContact O-N 3.44Å; N327-Y420 HydrophobicContact CB-CE1 4.28Å; N327-Y420 PolarHBondContact ND2-OH 3.2Å; Q329-Y420 HydrophobicContact CB-CE1 4.46Å; Q329-Y420 HydrophobicContact CG-CE1 3.99Å; Q329-Y420 HydrophobicContact CG-CE2 4.34Å; Q329-Y420 WeakPolarHBondContact CG-OH 3.38Å; F331-Y420 HydrophobicContact CE2-CD1 4.34Å; F331-Y420 AromaticContact CZ-CD1 3.74Å; F331-Y420 HydrophobicContact CZ-CD1 3.74Å; F331-Y420 HydrophobicContact CZ-CE1 4.42Å; F331-Y420 HydrophobicContact CZ-CG 4.19Å; F356-Y420 HydrophobicContact CE2-CD2 4.46Å; F356-Y420 AromaticContact CZ-CD2 3.87Å; F356-Y420 HydrophobicContact CZ-CD2 3.87Å; F356-Y420 HydrophobicContact CZ-CE2 4.45Å; F356-Y420 HydrophobicContact CZ-CG 4.07Å; Y420-W422 AromaticContact CD1-CE3 3.75Å; Y420-W422 HydrophobicContact CD1-CE3 3.75Å; Y420-W422 HydrophobicContact CD1-CZ3 4.22Å; Y420-W422 HydrophobicContact CE1-CB 4.33Å; Y420-W422 HydrophobicContact CE1-CD2 4.29Å; Y420-W422 AromaticContact CE1-CE3 3.71Å; Y420-W422 HydrophobicContact CE1-CE3 3.71Å; Y420-W422 HydrophobicContact CE1-CZ3 4.46Å; Y420-E430 WeakPolarHBondContact CA-O 3.34Å; Y420-E430 WeakPolarHBondContact CD2-O 3.49Å; Y420-I431 HydrophobicContact CD2-CG1 4.38Å
421	H	92.1	Very high	88.4	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.065	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.2	171.6	74.5	83.2	0	0	0	110.9	G175 M176 Y419 G429 E430 K432	G175-H421 WeakPolarHBondContact O-CA 3.34Å; G175-H421 WeakPolarHBondContact O-CB 3.42Å; M176-H421 HydrophobicContact CB-CB 4.24Å; Y419-H421 HydrophobicContact CD2-CB 4.08Å; Y419-H421 AromaticContact CD2-CD2 3.94Å; Y419-H421 HydrophobicContact CE2-CB 4.28Å; Y419-H421 AromaticContact CE2-CD2 3.53Å; H421-G429 CarbonylContact O-C 3.53Å; H421-G429 WeakPolarHBondContact O-CA 3.11Å; H421-E430 VanDerWaalsContact CE1-CG 3.47Å; H421-E430 WeakPolarHBondContact CE1-CG 3.35Å; H421-E430 IonicContact CE1-OE1 2.62Å; H421-E430 PolarHBondContact CE1-OE1 2.8Å; H421-E430 PolarHBondContact N-O 2.99Å; H421-E430 VanDerWaalsContact NE2-CG 3.3Å; H421-E430 WeakPolarHBondContact NE2-CG 3.37Å; H421-E430 IonicContact NE2-OE1 2.92Å; H421-E430 PolarHBondContact NE2-OE1 3.2Å; H421-E430 VanDerWaalsContact NE2-OE1 3.14Å; H421-E430 PolarHBondContact O-N 2.7Å; H421-K432 WeakPolarHBondContact CD2-CG 3.34Å; H421-K432 WeakPolarHBondContact NE2-CG 3.05Å
422	W	88.7	Confident	87.9	Confident	14 Å²	14	41.6 Å²	41.6	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.1	179.6	71.1	100.1	0	0	0	111	K174 G175 M176 V177 P193 I326 N327 Y420 W428	K174-W422 CarbonylContact C-O 3.57Å; K174-W422 WeakPolarHBondContact CA-O 3.4Å; G175-W422 PolarHBondContact N-O 3.09Å; G175-W422 PolarHBondContact O-N 3.11Å; M176-W422 VanDerWaalsContact CA-CZ3 3.41Å; V177-W422 HydrophobicContact CG2-CZ3 4.23Å; P193-W422 HydrophobicContact CG-CZ2 4.18Å; I326-W422 HydrophobicContact CB-CH2 4.45Å; I326-W422 HydrophobicContact CD1-CH2 4.12Å; I326-W422 HydrophobicContact CG2-CD2 3.99Å; I326-W422 HydrophobicContact CG2-CE3 3.89Å; I326-W422 HydrophobicContact CG2-CH2 3.13Å; I326-W422 HydrophobicContact CG2-CZ2 3.14Å; I326-W422 HydrophobicContact CG2-CZ3 3.47Å; I326-W422 VanDerWaalsContact CG2-CZ3 3.47Å; N327-W422 HydrophobicContact CB-CB 4.18Å; N327-W422 HydrophobicContact CB-CD2 3.99Å; N327-W422 HydrophobicContact CB-CG 3.65Å; N327-W422 VanDerWaalsContact CG-CD1 3.46Å; N327-W422 VanDerWaalsContact ND2-CB 3.32Å; N327-W422 WeakPolarHBondContact ND2-CB 3.47Å; Y420-W422 AromaticContact CD1-CE3 3.75Å; Y420-W422 HydrophobicContact CD1-CE3 3.75Å; Y420-W422 HydrophobicContact CD1-CZ3 4.22Å; Y420-W422 HydrophobicContact CE1-CB 4.33Å; Y420-W422 HydrophobicContact CE1-CD2 4.29Å; Y420-W422 AromaticContact CE1-CE3 3.71Å; Y420-W422 HydrophobicContact CE1-CE3 3.71Å; Y420-W422 HydrophobicContact CE1-CZ3 4.46Å; W422-W428 CarbonylContact C-O 3.52Å; W422-W428 VanDerWaalsContact CA-O 3.27Å; W422-W428 WeakPolarHBondContact CA-O 3.4Å
423	S	81.7	Confident	87.6	Confident	23 Å²	23	43.1 Å²	43.1	16%	0.161	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.1	170	178.1	0	0	0	0	110	I425 T426 K427 W428	S423-I425 PolarHBondContact O-N 3.16Å; S423-I425 PolarHBondContact OG-N 3.29Å; S423-T426 WeakPolarHBondContact CB-OG1 3.44Å; S423-T426 PolarHBondContact OG-N 2.85Å; S423-T426 PolarHBondContact OG-OG1 3.47Å; S423-K427 WeakPolarHBondContact O-CA 3.14Å; S423-K427 PolarHBondContact O-N 3.29Å; S423-W428 PolarHBondContact N-O 3.3Å
424	A	76.6	Confident	86.7	Confident	14 Å²	14	47.2 Å²	47.2	12%	0.116	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.2	171.1	0	0	0	0	0	112.7	A173 P193 F194 K427	A173-A424 VanDerWaalsContact O-CB 3.23Å; A173-A424 WeakPolarHBondContact O-CB 3.48Å; A173-A424 PolarHBondContact O-N 3.47Å; P193-A424 HydrophobicContact CB-CB 3.58Å; P193-A424 HydrophobicContact CG-CB 3.58Å; F194-A424 HydrophobicContact CD2-CB 4.43Å; F194-A424 HydrophobicContact CE2-CB 3.48Å; F194-A424 VanDerWaalsContact CE2-CB 3.48Å; F194-A424 HydrophobicContact CZ-CB 3.62Å; A424-K427 WeakPolarHBondContact O-CE 3.44Å; A424-K427 PolarHBondContact O-NZ 3.37Å
425	I	73.5	Confident	85	Confident	26 Å²	26	46 Å²	46	13%	0.133	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-63.1	-174.8	-49.3	-177.1	0	0	0	109.4	V5 L106 A173 S423 K427	V5-I425 HydrophobicContact CB-CD1 4.19Å; V5-I425 HydrophobicContact CG1-CB 4.02Å; V5-I425 HydrophobicContact CG1-CD1 3.45Å; V5-I425 VanDerWaalsContact CG1-CD1 3.45Å; V5-I425 HydrophobicContact CG1-CG1 3.45Å; V5-I425 VanDerWaalsContact CG1-CG1 3.45Å; V5-I425 HydrophobicContact CG1-CG2 3.62Å; V5-I425 HydrophobicContact CG2-CD1 3.62Å; L106-I425 HydrophobicContact CD2-CD1 3.84Å; A173-I425 HydrophobicContact CB-CD1 3.71Å; A173-I425 HydrophobicContact CB-CG1 3.8Å; S423-I425 PolarHBondContact O-N 3.16Å; S423-I425 PolarHBondContact OG-N 3.29Å; I425-K427 VanDerWaalsContact C-N 3.33Å
426	T	76.1	Confident	82.7	Confident	71 Å²	71	50 Å²	50	44%	0.436	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.4	-173.2	61.5	0	0	0	0	112.8	S423 W428	S423-T426 WeakPolarHBondContact CB-OG1 3.44Å; S423-T426 PolarHBondContact OG-N 2.85Å; S423-T426 PolarHBondContact OG-OG1 3.47Å; T426-W428 PolarHBondContact O-N 3.22Å
427	K	79.2	Confident	80.1	Confident	119 Å²	119	57.1 Å²	57.1	52%	0.517	28%	0.28	S	S	.	.			trans	57	-5.4	-171.3	-53.4	-55.3	-173.4	-165.4	0	115.4	N327 S423 A424 I425 G429	N327-K427 PolarHBondContact ND2-O 3.04Å; N327-K427 PolarHBondContact OD1-O 3.33Å; S423-K427 WeakPolarHBondContact O-CA 3.14Å; S423-K427 PolarHBondContact O-N 3.29Å; A424-K427 WeakPolarHBondContact O-CE 3.44Å; A424-K427 PolarHBondContact O-NZ 3.37Å; I425-K427 VanDerWaalsContact C-N 3.33Å; K427-G429 PolarHBondContact O-N 2.62Å
428	W	80.2	Confident	77.6	Confident	152 Å²	152	64.2 Å²	64.2	58%	0.576	32%	0.317	S	S	*	.			trans	-64.3	132.4	173.7	-171	83.2	0	0	0	110.1	W422 S423 T426 E430	W422-W428 CarbonylContact C-O 3.52Å; W422-W428 VanDerWaalsContact CA-O 3.27Å; W422-W428 WeakPolarHBondContact CA-O 3.4Å; S423-W428 PolarHBondContact N-O 3.3Å; T426-W428 PolarHBondContact O-N 3.22Å; W428-E430 HydrophobicContact CE3-CG 4.48Å; W428-E430 HydrophobicContact CH2-CB 3.75Å; W428-E430 HydrophobicContact CH2-CG 3.62Å; W428-E430 WeakPolarHBondContact CH2-OE1 3.3Å; W428-E430 WeakPolarHBondContact CH2-OE2 3.45Å; W428-E430 HydrophobicContact CZ2-CB 4.09Å; W428-E430 HydrophobicContact CZ2-CG 4.45Å; W428-E430 HydrophobicContact CZ3-CB 4.07Å; W428-E430 HydrophobicContact CZ3-CG 3.61Å; W428-E430 WeakPolarHBondContact CZ3-OE1 3.31Å
429	G	89.6	Confident	74.8	Confident	23 Å²	23	76.8 Å²	76.8	24%	0.237	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.6	177.5	0	0	0	0	0	111.2	H421 K427	H421-G429 CarbonylContact O-C 3.53Å; H421-G429 WeakPolarHBondContact O-CA 3.11Å; K427-G429 PolarHBondContact O-N 2.62Å
430	E	93.7	Very high	73.8	Confident	50 Å²	50	77.9 Å²	77.9	23%	0.234	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.6	-177	62.5	176.3	152	0	0	110.3	Y420 H421 W428 K432	Y420-E430 WeakPolarHBondContact CA-O 3.34Å; Y420-E430 WeakPolarHBondContact CD2-O 3.49Å; H421-E430 VanDerWaalsContact CE1-CG 3.47Å; H421-E430 WeakPolarHBondContact CE1-CG 3.35Å; H421-E430 IonicContact CE1-OE1 2.62Å; H421-E430 PolarHBondContact CE1-OE1 2.8Å; H421-E430 PolarHBondContact N-O 2.99Å; H421-E430 VanDerWaalsContact NE2-CG 3.3Å; H421-E430 WeakPolarHBondContact NE2-CG 3.37Å; H421-E430 IonicContact NE2-OE1 2.92Å; H421-E430 PolarHBondContact NE2-OE1 3.2Å; H421-E430 VanDerWaalsContact NE2-OE1 3.14Å; H421-E430 PolarHBondContact O-N 2.7Å; W428-E430 HydrophobicContact CE3-CG 4.48Å; W428-E430 HydrophobicContact CH2-CB 3.75Å; W428-E430 HydrophobicContact CH2-CG 3.62Å; W428-E430 WeakPolarHBondContact CH2-OE1 3.3Å; W428-E430 WeakPolarHBondContact CH2-OE2 3.45Å; W428-E430 HydrophobicContact CZ2-CB 4.09Å; W428-E430 HydrophobicContact CZ2-CG 4.45Å; W428-E430 HydrophobicContact CZ3-CB 4.07Å; W428-E430 HydrophobicContact CZ3-CG 3.61Å; W428-E430 WeakPolarHBondContact CZ3-OE1 3.31Å; E430-K432 HydrophobicContact CG-CD 4.41Å; E430-K432 HydrophobicContact CG-CG 4.33Å; E430-K432 WeakPolarHBondContact OE1-CE 3.38Å; E430-K432 IonicContact OE1-NZ 3.73Å; E430-K432 PolarHBondContact OE1-NZ 3.29Å; E430-K432 VanDerWaalsContact OE2-CE 3.3Å; E430-K432 WeakPolarHBondContact OE2-CE 3.41Å; E430-K432 IonicContact OE2-NZ 3.88Å; E430-K432 PolarHBondContact OE2-NZ 3.28Å
431	I	94.4	Very high	72.6	Confident	37 Å²	37	81.5 Å²	81.5	19%	0.19	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.7	169.6	-58.4	172.4	0	0	0	107.2	F356 Y380 F410 I418 Y419 Y420 L433	F356-I431 HydrophobicContact CE1-CD1 3.58Å; F356-I431 HydrophobicContact CE1-CG1 3.84Å; F356-I431 HydrophobicContact CZ-CD1 3.91Å; F356-I431 HydrophobicContact CZ-CG1 3.98Å; Y380-I431 HydrophobicContact CD1-CD1 3.67Å; Y380-I431 HydrophobicContact CD2-CD1 4.04Å; Y380-I431 HydrophobicContact CE1-CD1 3.82Å; Y380-I431 HydrophobicContact CE2-CD1 4.17Å; Y380-I431 HydrophobicContact CG-CD1 3.78Å; F410-I431 HydrophobicContact CD2-CD1 4.46Å; F410-I431 HydrophobicContact CE1-CG2 4.15Å; F410-I431 HydrophobicContact CE2-CD1 3.56Å; F410-I431 HydrophobicContact CE2-CG2 4.31Å; F410-I431 HydrophobicContact CZ-CB 4.47Å; F410-I431 HydrophobicContact CZ-CD1 3.82Å; F410-I431 HydrophobicContact CZ-CG2 3.99Å; I418-I431 HydrophobicContact CG2-CG2 4.08Å; Y419-I431 WeakPolarHBondContact O-CA 3.46Å; Y420-I431 HydrophobicContact CD2-CG1 4.38Å; I431-L433 HydrophobicContact CG2-CD2 4.33Å
432	K	88.2	Confident	71.5	Confident	77 Å²	77	85.3 Å²	85.3	34%	0.335	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.9	171.6	-69.8	-61	-159.5	-155.8	0	110.2	Y419 H421 E430	Y419-K432 HydrophobicContact CD1-CB 4.05Å; Y419-K432 WeakPolarHBondContact CD1-O 3.27Å; Y419-K432 HydrophobicContact CD2-CB 4.16Å; Y419-K432 HydrophobicContact CE1-CB 3.49Å; Y419-K432 VanDerWaalsContact CE1-CB 3.49Å; Y419-K432 HydrophobicContact CE2-CB 3.63Å; Y419-K432 HydrophobicContact CE2-CG 4.03Å; Y419-K432 HydrophobicContact CG-CB 4.35Å; Y419-K432 PolarHBondContact N-O 3.24Å; Y419-K432 PolarHBondContact O-N 3.38Å; Y419-K432 WeakPolarHBondContact OH-CB 3.33Å; H421-K432 WeakPolarHBondContact CD2-CG 3.34Å; H421-K432 WeakPolarHBondContact NE2-CG 3.05Å; E430-K432 HydrophobicContact CG-CD 4.41Å; E430-K432 HydrophobicContact CG-CG 4.33Å; E430-K432 WeakPolarHBondContact OE1-CE 3.38Å; E430-K432 IonicContact OE1-NZ 3.73Å; E430-K432 PolarHBondContact OE1-NZ 3.29Å; E430-K432 VanDerWaalsContact OE2-CE 3.3Å; E430-K432 WeakPolarHBondContact OE2-CE 3.41Å; E430-K432 IonicContact OE2-NZ 3.88Å; E430-K432 PolarHBondContact OE2-NZ 3.28Å
433	L	85.7	Confident	70.5	Confident	34 Å²	34	89.5 Å²	89.5	18%	0.178	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.4	177.4	-49	177.9	0	0	0	108	F410 Q415 I418 I431	F410-L433 HydrophobicContact CD1-CD1 4.48Å; F410-L433 HydrophobicContact CD1-CD2 3.61Å; F410-L433 HydrophobicContact CE1-CD1 4.49Å; F410-L433 HydrophobicContact CE1-CD2 3.97Å; Q415-L433 HydrophobicContact CB-CB 4.36Å; Q415-L433 HydrophobicContact CB-CD1 4.33Å; Q415-L433 HydrophobicContact CB-CD2 4.21Å; Q415-L433 HydrophobicContact CG-CD1 4.06Å; I418-L433 HydrophobicContact CB-CD2 4.45Å; I418-L433 HydrophobicContact CG1-CD2 3.91Å; I418-L433 HydrophobicContact CG2-CD2 4.16Å; I431-L433 HydrophobicContact CG2-CD2 4.33Å
434	L	73	Confident	69.8	Low	114 Å²	114	93.6 Å²	93.6	60%	0.597	46%	0.46	S	S	*	.	S	Bend	trans	-78.5	-38.3	174.9	-174.1	66.9	0	0	0	111.2	Q415 M417	Q415-L434 PolarHBondContact O-N 3.13Å; M417-L434 HydrophobicContact CB-CB 4.04Å; M417-L434 HydrophobicContact CB-CD2 4.16Å; M417-L434 PolarHBondContact O-N 2.7Å
435	I	56.8	Low	69.3	Low	75 Å²	75	98.9 Å²	98.9	39%	0.385	48%	0.483	S	S	.	.	S	Bend	trans	-110.4	98.6	173.9	-53.6	174.5	0	0	0	106.4	Q415 F437	Q415-I435 PolarHBondContact O-N 3.08Å; I435-F437 HydrophobicContact CG2-CD2 3.88Å; I435-F437 HydrophobicContact CG2-CE1 4.33Å; I435-F437 HydrophobicContact CG2-CE2 3.43Å; I435-F437 VanDerWaalsContact CG2-CE2 3.43Å; I435-F437 HydrophobicContact CG2-CZ 3.68Å
436	D	44.5	Very low	69	Low	123 Å²	123	104.1 Å²	104.1	66%	0.658	51%	0.508	S	S	*	.			trans	-93	98.1	173.9	-148.6	4.7	0	0	0	107	L438	D436-L438 PolarHBondContact O-N 3.44Å
437	F	35.6	Very low	68.5	Low	151 Å²	151	106.7 Å²	106.7	66%	0.662	51%	0.514	S	S	*	.			trans	-75.2	117.2	162.9	-67.3	-74.5	0	0	0	105.7	Q414 I435 E439	Q414-F437 WeakPolarHBondContact O-CE2 3.42Å; I435-F437 HydrophobicContact CG2-CD2 3.88Å; I435-F437 HydrophobicContact CG2-CE1 4.33Å; I435-F437 HydrophobicContact CG2-CE2 3.43Å; I435-F437 VanDerWaalsContact CG2-CE2 3.43Å; I435-F437 HydrophobicContact CG2-CZ 3.68Å; F437-E439 PolarHBondContact O-N 3.46Å; F437-E439 VanDerWaalsContact O-N 3.09Å
438	L	35.3	Very low	67.6	Low	168 Å²	168	105.7 Å²	105.7	88%	0.88	51%	0.514	S	S	*	.			trans	-56.2	117	163.4	-73	164.7	0	0	0	106.5	D436	D436-L438 PolarHBondContact O-N 3.44Å
439	E	34.3	Very low	66.5	Low	264 Å²	264	101.5 Å²	101.5	100%	1.234	51%	0.508	S	S	*	.			trans	-57.1	0	174.2	-78.6	-177.8	173.2	0	0	112.1	F437	F437-E439 PolarHBondContact O-N 3.46Å; F437-E439 VanDerWaalsContact O-N 3.09Å

Retrieved 439 of 439 residues in 533.3 ms (Link to these results)

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