A0A093HYH6_STRCA Loading...

AP-3 complex subunit sigma-1

Part of the AP-3 complex, an adaptor-related complex which is not clathrin-associated. The complex is associated with the Golgi region as well as more peripheral structures. It facilitates the budding of vesicles from the Golgi membrane and may be directly involved in trafficking to lysosomes. In concert with the BLOC-1 complex, AP-3 is required to target cargos into vesicles assembled at cell bodies for delivery into neurites and nerve terminals.

AlphaFold DB , UniProt , Accession A0A093HYH6, Species STRCA (Struthio camelus australis), Gene n/a, Length 170 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	S	86.1	Confident	90.4	Very high	104 Å²	104	104.4 Å²	104.4	73%	0.727	52%	0.518	S	S	*	.				0	153.6	0	-170.6	0	0	0	0	108.1	D3 T4 Q5	S1-D3 PolarHBondContact O-N 3.37Å; S1-D3 PolarHBondContact OG-OD2 2.81Å; S1-T4 PolarHBondContact N-OG1 2.86Å; S1-T4 VanDerWaalsContact O-CB 3.31Å; S1-T4 WeakPolarHBondContact O-CB 3.5Å; S1-T4 PolarHBondContact O-N 3.31Å; S1-Q5 PolarHBondContact O-N 3.47Å
2	E	89.9	Confident	90.5	Very high	147 Å²	147	97.5 Å²	97.5	69%	0.687	49%	0.486	S	S	*	.	H	α-helix	trans	-54	-37.8	171	-67.5	-178.8	162.8	0	0	111.1	T4 Q5 Q6	E2-T4 VanDerWaalsContact C-N 3.29Å; E2-T4 PolarHBondContact O-N 3.29Å; E2-Q5 PolarHBondContact O-N 2.97Å; E2-Q5 VanDerWaalsContact O-N 3.15Å; E2-Q6 PolarHBondContact O-N 3.17Å
3	D	91.3	Very high	90.5	Very high	114 Å²	114	99.8 Å²	99.8	61%	0.61	49%	0.492	S	S	*	.	H	α-helix	trans	-57.5	-41.6	175	-57.4	-56.6	0	0	0	112.4	S1 Q6 Q7	S1-D3 PolarHBondContact O-N 3.37Å; S1-D3 PolarHBondContact OG-OD2 2.81Å; D3-Q6 PolarHBondContact O-N 3.1Å; D3-Q7 WeakPolarHBondContact O-CB 3.47Å; D3-Q7 PolarHBondContact O-N 3.15Å
4	T	88.9	Confident	90.5	Very high	63 Å²	63	100.1 Å²	100.1	39%	0.387	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-43.1	178.3	-43.4	0	0	0	0	110.7	S1 E2 Q7 I8	S1-T4 PolarHBondContact N-OG1 2.86Å; S1-T4 VanDerWaalsContact O-CB 3.31Å; S1-T4 WeakPolarHBondContact O-CB 3.5Å; S1-T4 PolarHBondContact O-N 3.31Å; E2-T4 VanDerWaalsContact C-N 3.29Å; E2-T4 PolarHBondContact O-N 3.29Å; T4-Q7 PolarHBondContact O-N 3.35Å; T4-I8 HydrophobicContact CG2-CD1 4.18Å; T4-I8 WeakPolarHBondContact O-CG1 3.37Å; T4-I8 PolarHBondContact O-N 3.41Å
5	Q	89.4	Confident	90.3	Very high	126 Å²	126	97.8 Å²	97.8	59%	0.589	48%	0.481	S	S	*	.	H	α-helix	trans	-63.5	-44.5	178	-68.8	176.6	-41.3	0	0	111.2	S1 E2 Q7 I8 I9	S1-Q5 PolarHBondContact O-N 3.47Å; E2-Q5 PolarHBondContact O-N 2.97Å; E2-Q5 VanDerWaalsContact O-N 3.15Å; Q5-Q7 VanDerWaalsContact C-N 3.29Å; Q5-Q7 PolarHBondContact O-N 3.41Å; Q5-I8 PolarHBondContact O-N 3.27Å; Q5-I9 VanDerWaalsContact O-CG1 3.3Å; Q5-I9 WeakPolarHBondContact O-CG1 3.05Å; Q5-I9 PolarHBondContact O-N 3.3Å
6	Q	92.4	Very high	90.4	Very high	101 Å²	101	91.9 Å²	91.9	47%	0.472	45%	0.452	S	S	.	.	H	α-helix	trans	-62.2	-38.3	175.5	-70.7	-173.9	10.9	0	0	112.1	E2 D3 I9 R10	E2-Q6 PolarHBondContact O-N 3.17Å; D3-Q6 PolarHBondContact O-N 3.1Å; Q6-I9 PolarHBondContact O-N 2.94Å; Q6-R10 VanDerWaalsContact O-CG 3.29Å; Q6-R10 WeakPolarHBondContact O-CG 3.49Å; Q6-R10 PolarHBondContact O-N 3.43Å
7	Q	91.5	Very high	90.2	Very high	110 Å²	110	88.9 Å²	88.9	51%	0.514	44%	0.443	S	S	.	.	H	α-helix	trans	-66.4	-42.1	177.9	-157.7	-179.5	-14.3	0	0	111.6	D3 T4 Q5 R10 E11 L32	D3-Q7 WeakPolarHBondContact O-CB 3.47Å; D3-Q7 PolarHBondContact O-N 3.15Å; T4-Q7 PolarHBondContact O-N 3.35Å; Q5-Q7 VanDerWaalsContact C-N 3.29Å; Q5-Q7 PolarHBondContact O-N 3.41Å; Q7-R10 PolarHBondContact O-N 3.42Å; Q7-E11 PolarHBondContact O-N 3.41Å; Q7-L32 HydrophobicContact CB-CD1 3.96Å; Q7-L32 VanDerWaalsContact CD-CD1 3.41Å; Q7-L32 HydrophobicContact CG-CD1 3.38Å
8	I	90.8	Very high	89.9	Confident	49 Å²	49	93.3 Å²	93.3	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-59.1	-49.4	173.5	-72.2	163.4	0	0	0	110.6	T4 Q5 R10 E11 T12 L32 I33	T4-I8 HydrophobicContact CG2-CD1 4.18Å; T4-I8 WeakPolarHBondContact O-CG1 3.37Å; T4-I8 PolarHBondContact O-N 3.41Å; Q5-I8 PolarHBondContact O-N 3.27Å; I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 PolarHBondContact O-N 3.18Å; I8-E11 PolarHBondContact O-N 3.43Å; I8-T12 WeakPolarHBondContact O-CB 3.49Å; I8-T12 PolarHBondContact O-N 3.33Å; I8-T12 PolarHBondContact O-OG1 2.72Å; I8-T12 VanDerWaalsContact O-OG1 3.07Å; I8-L32 HydrophobicContact CG1-CB 3.83Å; I8-I33 HydrophobicContact CG1-CG1 4.43Å; I8-I33 HydrophobicContact CG2-CD1 4.07Å; I8-I33 HydrophobicContact CG2-CG1 3.86Å
9	I	91.9	Very high	89.8	Confident	117 Å²	117	92.4 Å²	92.4	60%	0.6	45%	0.45	S	S	*	.	H	α-helix	trans	-58.4	-43.5	179.4	-68.3	164.5	0	0	0	110.8	Q5 Q6 F13	Q5-I9 VanDerWaalsContact O-CG1 3.3Å; Q5-I9 WeakPolarHBondContact O-CG1 3.05Å; Q5-I9 PolarHBondContact O-N 3.3Å; Q6-I9 PolarHBondContact O-N 2.94Å; I9-F13 WeakPolarHBondContact O-CB 3.41Å; I9-F13 PolarHBondContact O-N 3.14Å
10	R	91.6	Very high	89.6	Confident	165 Å²	165	92.7 Å²	92.7	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-63.5	-44	177.4	-72.6	175.1	-173.5	-166.1	5.7	111.9	Q6 Q7 I8 F13 H14	Q6-R10 VanDerWaalsContact O-CG 3.29Å; Q6-R10 WeakPolarHBondContact O-CG 3.49Å; Q6-R10 PolarHBondContact O-N 3.43Å; Q7-R10 PolarHBondContact O-N 3.42Å; I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 PolarHBondContact O-N 3.18Å; R10-F13 PolarHBondContact O-N 3.21Å; R10-H14 PolarHBondContact O-N 3.31Å; R10-H14 VanDerWaalsContact O-N 3.1Å; R10-H14 PolarHBondContact O-ND1 3.32Å
11	E	90.4	Very high	89.3	Confident	52 Å²	52	95.3 Å²	95.3	24%	0.243	47%	0.465	C	S	.	.	H	α-helix	trans	-62.5	-50.2	177.8	-173.9	175.7	-169.5	0	0	111	Q7 I8 F13 H14 L15 G30 L31 L32	Q7-E11 PolarHBondContact O-N 3.41Å; I8-E11 PolarHBondContact O-N 3.43Å; E11-F13 VanDerWaalsContact C-N 3.31Å; E11-F13 PolarHBondContact O-N 3.36Å; E11-H14 PolarHBondContact O-N 3.49Å; E11-H14 VanDerWaalsContact O-N 3.08Å; E11-L15 HydrophobicContact CG-CD1 4.21Å; E11-L15 WeakPolarHBondContact O-CG 3.46Å; E11-L15 PolarHBondContact O-N 3.4Å; E11-G30 WeakPolarHBondContact OE1-CA 3.4Å; E11-L31 PolarHBondContact OE1-N 2.71Å; E11-L32 WeakPolarHBondContact OE2-CB 3.42Å; E11-L32 VanDerWaalsContact OE2-CD1 3.28Å; E11-L32 WeakPolarHBondContact OE2-CD1 3.23Å; E11-L32 WeakPolarHBondContact OE2-CG 3.43Å; E11-L32 PolarHBondContact OE2-N 3.18Å
12	T	91.4	Very high	89.2	Confident	22 Å²	22	97.6 Å²	97.6	14%	0.135	47%	0.469	C	S	.	.	H	α-helix	trans	-53.9	-47.3	175.4	-60.7	0	0	0	0	111.6	I8 H14 L15 V16 I33 L40 V51	I8-T12 WeakPolarHBondContact O-CB 3.49Å; I8-T12 PolarHBondContact O-N 3.33Å; I8-T12 PolarHBondContact O-OG1 2.72Å; I8-T12 VanDerWaalsContact O-OG1 3.07Å; T12-H14 VanDerWaalsContact C-N 3.33Å; T12-H14 PolarHBondContact O-N 3.13Å; T12-L15 PolarHBondContact O-N 3.36Å; T12-V16 HydrophobicContact CG2-CG2 4.47Å; T12-V16 WeakPolarHBondContact O-CG2 3.47Å; T12-V16 PolarHBondContact O-N 3.15Å; T12-I33 WeakPolarHBondContact OG1-CD1 3.46Å; T12-L40 HydrophobicContact CG2-CD1 4.05Å; T12-V51 HydrophobicContact CG2-CB 4.5Å; T12-V51 HydrophobicContact CG2-CG1 3.9Å; T12-V51 HydrophobicContact CG2-CG2 4.47Å
13	F	91.4	Very high	89.1	Confident	128 Å²	128	93.3 Å²	93.3	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-59.5	-42.5	178	178.6	-96.2	0	0	0	112.2	I9 R10 E11 L15 V16 S17	I9-F13 WeakPolarHBondContact O-CB 3.41Å; I9-F13 PolarHBondContact O-N 3.14Å; R10-F13 PolarHBondContact O-N 3.21Å; E11-F13 VanDerWaalsContact C-N 3.31Å; E11-F13 PolarHBondContact O-N 3.36Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.33Å; F13-V16 PolarHBondContact O-N 2.95Å; F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 2.78Å; F13-S17 PolarHBondContact O-OG 3.37Å
14	H	89.9	Confident	89	Confident	104 Å²	104	91.3 Å²	91.3	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-67.2	-34.6	178.5	-78.2	82.2	0	0	0	113	R10 E11 T12	R10-H14 PolarHBondContact O-N 3.31Å; R10-H14 VanDerWaalsContact O-N 3.1Å; R10-H14 PolarHBondContact O-ND1 3.32Å; E11-H14 PolarHBondContact O-N 3.49Å; E11-H14 VanDerWaalsContact O-N 3.08Å; T12-H14 VanDerWaalsContact C-N 3.33Å; T12-H14 PolarHBondContact O-N 3.13Å
15	L	88.1	Confident	89.1	Confident	65 Å²	65	90.5 Å²	90.5	34%	0.34	44%	0.44	S	S	.	.	H	α-helix	trans	-69.7	-36.7	177.9	-70.8	172.1	0	0	0	112.1	E11 T12 F13 R19 L27 L40	E11-L15 HydrophobicContact CG-CD1 4.21Å; E11-L15 WeakPolarHBondContact O-CG 3.46Å; E11-L15 PolarHBondContact O-N 3.4Å; T12-L15 PolarHBondContact O-N 3.36Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.33Å; L15-R19 WeakPolarHBondContact O-CD 3.5Å; L15-R19 WeakPolarHBondContact O-CG 3.44Å; L15-L27 HydrophobicContact CB-CD1 4.29Å; L15-L40 HydrophobicContact CD1-CD1 4.16Å
16	V	90.8	Very high	89.3	Confident	3 Å²	3	87.8 Å²	87.8	2%	0.018	43%	0.427	C	S	.	.	H	α-helix	trans	-90.9	-46.8	-174.9	177.9	0	0	0	0	112.5	T12 F13 K18 R19 L27 Y42 Y49 V51	T12-V16 HydrophobicContact CG2-CG2 4.47Å; T12-V16 WeakPolarHBondContact O-CG2 3.47Å; T12-V16 PolarHBondContact O-N 3.15Å; F13-V16 PolarHBondContact O-N 2.95Å; V16-K18 VanDerWaalsContact C-N 3.28Å; V16-K18 PolarHBondContact O-N 2.95Å; V16-K18 VanDerWaalsContact O-N 3.13Å; V16-R19 WeakPolarHBondContact O-CB 3.48Å; V16-R19 PolarHBondContact O-N 3.3Å; V16-R19 VanDerWaalsContact O-N 3.15Å; V16-L27 HydrophobicContact CG2-CD1 3.9Å; V16-Y42 HydrophobicContact CG1-CD1 4.44Å; V16-Y42 HydrophobicContact CG1-CD2 3.61Å; V16-Y42 HydrophobicContact CG1-CE2 3.84Å; V16-Y42 HydrophobicContact CG1-CG 3.93Å; V16-Y42 HydrophobicContact CG2-CD1 4.15Å; V16-Y42 HydrophobicContact CG2-CG 4.21Å; V16-Y49 HydrophobicContact CG1-CD1 3.27Å; V16-Y49 HydrophobicContact CG1-CE1 3.57Å; V16-Y49 HydrophobicContact CG1-CG 3.97Å; V16-V51 HydrophobicContact CG2-CG2 4.48Å
17	S	87.8	Confident	89.2	Confident	41 Å²	41	84.2 Å²	84.2	29%	0.287	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-22.8	-168.1	59.6	0	0	0	0	116.1	F13	F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 2.78Å; F13-S17 PolarHBondContact O-OG 3.37Å
18	K	85.6	Confident	88.9	Confident	168 Å²	168	86 Å²	86	73%	0.73	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.4	-178.1	-64.6	-178.2	-179.7	178.2	0	113.3	V16	V16-K18 VanDerWaalsContact C-N 3.28Å; V16-K18 PolarHBondContact O-N 2.95Å; V16-K18 VanDerWaalsContact O-N 3.13Å
19	R	87.1	Confident	88.2	Confident	76 Å²	76	84.1 Å²	84.1	29%	0.287	41%	0.412	S	S	.	.	S	Bend	trans	-86.6	141.7	-174.5	-67.5	-178.9	67.2	86.6	-8.5	110.5	L15 V16 V23 C24 L27 Y42	L15-R19 WeakPolarHBondContact O-CD 3.5Å; L15-R19 WeakPolarHBondContact O-CG 3.44Å; V16-R19 WeakPolarHBondContact O-CB 3.48Å; V16-R19 PolarHBondContact O-N 3.3Å; V16-R19 VanDerWaalsContact O-N 3.15Å; R19-V23 HydrophobicContact CB-CG2 3.94Å; R19-V23 VanDerWaalsContact CZ-CG2 3.46Å; R19-V23 VanDerWaalsContact NE-CG2 3.32Å; R19-C24 PolarHBondContact NH2-O 3.03Å; R19-C24 PolarHBondContact NH2-SG 3.09Å; R19-C24 VanDerWaalsContact NH2-SG 3.4Å; R19-L27 VanDerWaalsContact CZ-CD2 3.45Å; R19-Y42 WeakPolarHBondContact CD-OH 3.41Å; R19-Y42 PolarHBondContact NE-OH 2.67Å
20	D	86.4	Confident	87.4	Confident	99 Å²	99	79 Å²	79	53%	0.529	39%	0.387	S	S	.	.			trans	-72.1	153	174	-168.4	-75.2	0	0	0	110.1	N22 V23	D20-N22 PolarHBondContact O-N 2.97Å; D20-N22 WeakPolarHBondContact OD1-CB 3.28Å; D20-N22 PolarHBondContact OD1-N 2.98Å; D20-N22 PolarHBondContact OD1-ND2 3.39Å; D20-V23 HydrophobicContact CB-CG1 4.17Å; D20-V23 WeakPolarHBondContact O-CG2 3.49Å; D20-V23 PolarHBondContact O-N 3.45Å
21	E	81.9	Confident	86.5	Confident	148 Å²	148	78.3 Å²	78.3	69%	0.692	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.1	-178.5	-59.9	-171.3	147.8	0	0	113.2	H44	E21-H44 IonicContact OE1-CE1 3.59Å; E21-H44 IonicContact OE1-ND1 3.12Å; E21-H44 PolarHBondContact OE1-ND1 3.47Å; E21-H44 VanDerWaalsContact OE1-ND1 3.12Å
22	N	84.1	Confident	85.8	Confident	151 Å²	151	78.9 Å²	78.9	81%	0.807	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.5	-177.6	-61.2	-68.1	0	0	0	114.5	D20	D20-N22 PolarHBondContact O-N 2.97Å; D20-N22 WeakPolarHBondContact OD1-CB 3.28Å; D20-N22 PolarHBondContact OD1-N 2.98Å; D20-N22 PolarHBondContact OD1-ND2 3.39Å
23	V	89.5	Confident	85.1	Confident	57 Å²	57	78.5 Å²	78.5	35%	0.345	40%	0.397	S	S	.	.	S	Bend	trans	-90.5	169	-178.6	-51.3	0	0	0	0	112	R19 D20	R19-V23 HydrophobicContact CB-CG2 3.94Å; R19-V23 VanDerWaalsContact CZ-CG2 3.46Å; R19-V23 VanDerWaalsContact NE-CG2 3.32Å; D20-V23 HydrophobicContact CB-CG1 4.17Å; D20-V23 WeakPolarHBondContact O-CG2 3.49Å; D20-V23 PolarHBondContact O-N 3.45Å
24	C	87.9	Confident	84	Confident	73 Å²	73	74.3 Å²	74.3	49%	0.493	39%	0.389	S	S	.	.			trans	-62.3	142.5	176.8	66.3	0	0	0	0	112.2	R19 F26 Y42	R19-C24 PolarHBondContact NH2-O 3.03Å; R19-C24 PolarHBondContact NH2-SG 3.09Å; R19-C24 VanDerWaalsContact NH2-SG 3.4Å; C24-F26 PolarHBondContact O-N 3.03Å; C24-F26 PolarHBondContact SG-O 3.23Å; C24-F26 VanDerWaalsContact SG-O 3.33Å; C24-Y42 PolarHBondContact O-OH 3.04Å
25	N	91.7	Very high	83.5	Confident	46 Å²	46	70.1 Å²	70.1	25%	0.246	37%	0.374	C	S	.	.	S	Bend	trans	-80.7	7.8	177.7	-71.6	-32.3	0	0	0	113.8	I41 Y42 L64	N25-I41 WeakPolarHBondContact O-CA 3.28Å; N25-Y42 VanDerWaalsContact CB-O 3.26Å; N25-Y42 WeakPolarHBondContact CB-O 3.42Å; N25-Y42 WeakPolarHBondContact O-CD1 3.41Å; N25-Y42 PolarHBondContact O-N 3.03Å; N25-L64 HydrophobicContact CB-CD1 4.18Å
26	F	92.9	Very high	82.9	Confident	69 Å²	69	71 Å²	71	30%	0.303	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.5	-175.9	-44.9	-42	0	0	0	109.3	C24 I41 E60 L61 L64	C24-F26 PolarHBondContact O-N 3.03Å; C24-F26 PolarHBondContact SG-O 3.23Å; C24-F26 VanDerWaalsContact SG-O 3.33Å; F26-I41 HydrophobicContact CD1-CG1 4.1Å; F26-I41 HydrophobicContact CD1-CG2 4.06Å; F26-I41 HydrophobicContact CE1-CG2 4.09Å; F26-E60 HydrophobicContact CD1-CB 3.69Å; F26-E60 HydrophobicContact CD1-CG 4.33Å; F26-E60 HydrophobicContact CD2-CB 4.18Å; F26-E60 HydrophobicContact CE1-CB 3.58Å; F26-E60 HydrophobicContact CE2-CB 4.08Å; F26-E60 HydrophobicContact CG-CB 4Å; F26-E60 HydrophobicContact CG-CG 4.3Å; F26-E60 HydrophobicContact CZ-CB 3.79Å; F26-L61 HydrophobicContact CZ-CD2 3.91Å; F26-L61 HydrophobicContact CZ-CG 4.47Å; F26-L64 HydrophobicContact CE1-CB 4.44Å; F26-L64 HydrophobicContact CE1-CD2 4.28Å; F26-L64 HydrophobicContact CZ-CD2 4.37Å
27	L	90.1	Very high	82.6	Confident	25 Å²	25	75.9 Å²	75.9	13%	0.131	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.1	-178.8	-67.8	172.2	0	0	0	109	L15 V16 R19 K39 L40 Y42	L15-L27 HydrophobicContact CB-CD1 4.29Å; V16-L27 HydrophobicContact CG2-CD1 3.9Å; R19-L27 VanDerWaalsContact CZ-CD2 3.45Å; L27-K39 CarbonylContact O-C 3.59Å; L27-K39 VanDerWaalsContact O-CA 3.3Å; L27-K39 WeakPolarHBondContact O-CA 3.43Å; L27-L40 HydrophobicContact CB-CB 4.07Å; L27-L40 PolarHBondContact N-O 2.95Å; L27-L40 PolarHBondContact O-N 3.3Å; L27-Y42 HydrophobicContact CD1-CD1 3.97Å; L27-Y42 HydrophobicContact CD1-CE1 3.73Å; L27-Y42 HydrophobicContact CG-CD1 4.4Å; L27-Y42 HydrophobicContact CG-CE1 4.02Å
28	E	85.6	Confident	82.7	Confident	147 Å²	147	76 Å²	76	69%	0.687	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.7	164.5	-73.6	178.9	171	0	0	109.6
29	G	75.8	Confident	83	Confident	11 Å²	11	70.2 Å²	70.2	11%	0.113	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-60.4	137.9	177.7	0	0	0	0	0	111.3	G35 N38	G29-G35 CarbonylContact C-O 3.58Å; G29-G35 WeakPolarHBondContact CA-O 3.42Å; G29-G35 CarbonylContact O-C 3.52Å; G29-N38 WeakPolarHBondContact CA-O 3.3Å; G29-N38 PolarHBondContact N-O 3.41Å
30	G	74.4	Confident	83.3	Confident	8 Å²	8	66.7 Å²	66.7	8%	0.082	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-61.2	167.7	168.7	0	0	0	0	0	111.9	E11 L32 I33 G35	E11-G30 WeakPolarHBondContact OE1-CA 3.4Å; G30-L32 PolarHBondContact O-N 3.13Å; G30-L32 VanDerWaalsContact O-N 3.13Å; G30-I33 PolarHBondContact O-N 2.9Å; G30-G35 WeakPolarHBondContact O-CA 3.42Å; G30-G35 PolarHBondContact O-N 3.1Å
31	L	72.8	Confident	83.7	Confident	152 Å²	152	62 Å²	62	80%	0.796	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-58.4	-34.2	-176.9	-173.5	69.2	0	0	0	111.7	E11 I33	E11-L31 PolarHBondContact OE1-N 2.71Å; L31-I33 VanDerWaalsContact C-N 3.3Å
32	L	76.7	Confident	84.4	Confident	63 Å²	63	55.4 Å²	55.4	33%	0.33	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-82	-11	-179.2	-53.8	175.6	0	0	0	113.5	Q7 I8 E11 G30	Q7-L32 HydrophobicContact CB-CD1 3.96Å; Q7-L32 VanDerWaalsContact CD-CD1 3.41Å; Q7-L32 HydrophobicContact CG-CD1 3.38Å; I8-L32 HydrophobicContact CG1-CB 3.83Å; E11-L32 WeakPolarHBondContact OE2-CB 3.42Å; E11-L32 VanDerWaalsContact OE2-CD1 3.28Å; E11-L32 WeakPolarHBondContact OE2-CD1 3.23Å; E11-L32 WeakPolarHBondContact OE2-CG 3.43Å; E11-L32 PolarHBondContact OE2-N 3.18Å; G30-L32 PolarHBondContact O-N 3.13Å; G30-L32 VanDerWaalsContact O-N 3.13Å
33	I	76.7	Confident	84.9	Confident	15 Å²	15	51 Å²	51	8%	0.077	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-99.3	10.3	-177	-54.8	-179.2	0	0	0	110.2	I8 T12 G30 L31 N38 L40 C53	I8-I33 HydrophobicContact CG1-CG1 4.43Å; I8-I33 HydrophobicContact CG2-CD1 4.07Å; I8-I33 HydrophobicContact CG2-CG1 3.86Å; T12-I33 WeakPolarHBondContact OG1-CD1 3.46Å; G30-I33 PolarHBondContact O-N 2.9Å; L31-I33 VanDerWaalsContact C-N 3.3Å; I33-N38 HydrophobicContact CG2-CB 4.41Å; I33-N38 VanDerWaalsContact O-CB 3.25Å; I33-N38 WeakPolarHBondContact O-CB 3.45Å; I33-N38 PolarHBondContact O-ND2 3.32Å; I33-L40 HydrophobicContact CD1-CD1 3.85Å; I33-L40 HydrophobicContact CD1-CD2 4.14Å; I33-L40 HydrophobicContact CD1-CG 4.31Å; I33-L40 HydrophobicContact CG2-CD2 4.23Å; I33-C53 HydrophobicContact CG2-CB 4.36Å; I33-C53 WeakPolarHBondContact CG2-SG 3.32Å
34	G	69.3	Low	85	Confident	39 Å²	39	51 Å²	51	40%	0.402	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	12.2	-175	0	0	0	0	0	113.7	D37	G34-D37 PolarHBondContact O-N 2.91Å
35	G	77.8	Confident	85.2	Confident	16 Å²	16	50 Å²	50	17%	0.165	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	62	-139.8	175.6	0	0	0	0	0	112.6	G29 G30 D37 N38	G29-G35 CarbonylContact C-O 3.58Å; G29-G35 WeakPolarHBondContact CA-O 3.42Å; G29-G35 CarbonylContact O-C 3.52Å; G30-G35 WeakPolarHBondContact O-CA 3.42Å; G30-G35 PolarHBondContact O-N 3.1Å; G35-D37 PolarHBondContact O-N 3.47Å; G35-N38 PolarHBondContact O-N 3.13Å
36	S	76.3	Confident	85.2	Confident	84 Å²	84	52.3 Å²	52.3	59%	0.587	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66	-15.1	-178	51.6	0	0	0	0	114.7	N38	S36-N38 VanDerWaalsContact C-N 3.3Å
37	D	84.5	Confident	85	Confident	105 Å²	105	53 Å²	53	56%	0.561	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-78.3	-22	-177.1	-58.5	-26.4	0	0	0	111.3	G34 G35 S56	G34-D37 PolarHBondContact O-N 2.91Å; G35-D37 PolarHBondContact O-N 3.47Å; D37-S56 WeakPolarHBondContact O-CB 3.36Å; D37-S56 PolarHBondContact O-N 2.96Å; D37-S56 PolarHBondContact O-OG 3.4Å
38	N	89.6	Confident	85.1	Confident	43 Å²	43	54.5 Å²	54.5	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155.7	176.3	-70.2	-38	0	0	0	111.1	G29 I33 G35 S36 V54 D55	G29-N38 WeakPolarHBondContact CA-O 3.3Å; G29-N38 PolarHBondContact N-O 3.41Å; I33-N38 HydrophobicContact CG2-CB 4.41Å; I33-N38 VanDerWaalsContact O-CB 3.25Å; I33-N38 WeakPolarHBondContact O-CB 3.45Å; I33-N38 PolarHBondContact O-ND2 3.32Å; G35-N38 PolarHBondContact O-N 3.13Å; S36-N38 VanDerWaalsContact C-N 3.3Å; N38-V54 CarbonylContact C-O 3.49Å; N38-V54 VanDerWaalsContact CA-O 3.31Å; N38-V54 WeakPolarHBondContact CA-O 3.35Å; N38-D55 WeakPolarHBondContact OD1-CA 2.97Å
39	K	91.9	Very high	85.5	Confident	47 Å²	47	51.7 Å²	51.7	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.3	178.8	-64.1	174	-176	168	0	109.6	L27 C53 V54 E60	L27-K39 CarbonylContact O-C 3.59Å; L27-K39 VanDerWaalsContact O-CA 3.3Å; L27-K39 WeakPolarHBondContact O-CA 3.43Å; K39-C53 WeakPolarHBondContact O-CA 3.45Å; K39-V54 HydrophobicContact CB-CG2 4.29Å; K39-V54 PolarHBondContact N-O 3.19Å; K39-V54 PolarHBondContact O-N 3.32Å; K39-E60 HydrophobicContact CD-CG 4.17Å; K39-E60 IonicContact NZ-OE1 2.67Å; K39-E60 PolarHBondContact NZ-OE1 3.19Å
40	L	93.3	Very high	86.5	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.7	169.5	-65.9	176	0	0	0	109.3	T12 L15 L27 I33 V51 F52 C53	T12-L40 HydrophobicContact CG2-CD1 4.05Å; L15-L40 HydrophobicContact CD1-CD1 4.16Å; L27-L40 HydrophobicContact CB-CB 4.07Å; L27-L40 PolarHBondContact N-O 2.95Å; L27-L40 PolarHBondContact O-N 3.3Å; I33-L40 HydrophobicContact CD1-CD1 3.85Å; I33-L40 HydrophobicContact CD1-CD2 4.14Å; I33-L40 HydrophobicContact CD1-CG 4.31Å; I33-L40 HydrophobicContact CG2-CD2 4.23Å; L40-V51 HydrophobicContact CB-CG1 4.42Å; L40-V51 HydrophobicContact CD2-CG1 4.08Å; L40-F52 WeakPolarHBondContact CA-O 3.27Å; L40-C53 HydrophobicContact CD2-CB 3.77Å
41	I	95.3	Very high	87.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.9	177	-58.9	175.6	0	0	0	106.8	N25 F26 V51 F52 V54 E60 I63 L64 I67	N25-I41 WeakPolarHBondContact O-CA 3.28Å; F26-I41 HydrophobicContact CD1-CG1 4.1Å; F26-I41 HydrophobicContact CD1-CG2 4.06Å; F26-I41 HydrophobicContact CE1-CG2 4.09Å; I41-V51 CarbonylContact O-C 3.54Å; I41-V51 WeakPolarHBondContact O-CA 3.46Å; I41-F52 PolarHBondContact N-O 3.1Å; I41-F52 PolarHBondContact O-N 3.36Å; I41-V54 HydrophobicContact CD1-CG2 3.67Å; I41-V54 HydrophobicContact CG1-CG2 4.28Å; I41-E60 VanDerWaalsContact CD1-CA 3.43Å; I41-E60 HydrophobicContact CD1-CB 3.71Å; I41-E60 HydrophobicContact CD1-CG 3.96Å; I41-E60 HydrophobicContact CG1-CB 4.42Å; I41-I63 HydrophobicContact CB-CG2 3.96Å; I41-I63 HydrophobicContact CD1-CB 3.55Å; I41-I63 HydrophobicContact CD1-CG1 3.95Å; I41-I63 HydrophobicContact CD1-CG2 3.8Å; I41-I63 HydrophobicContact CG1-CG2 4.45Å; I41-I63 HydrophobicContact CG2-CB 4.35Å; I41-I63 HydrophobicContact CG2-CG2 4.04Å; I41-L64 HydrophobicContact CG2-CB 4.24Å; I41-L64 HydrophobicContact CG2-CD1 4.21Å; I41-I67 HydrophobicContact CG2-CD1 4.15Å
42	Y	95.6	Very high	88.5	Confident	9 Å²	9	49 Å²	49	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.7	-174.9	74.9	-84.4	0	0	0	113.1	V16 R19 C24 N25 L27 Y49 F50	V16-Y42 HydrophobicContact CG1-CD1 4.44Å; V16-Y42 HydrophobicContact CG1-CD2 3.61Å; V16-Y42 HydrophobicContact CG1-CE2 3.84Å; V16-Y42 HydrophobicContact CG1-CG 3.93Å; V16-Y42 HydrophobicContact CG2-CD1 4.15Å; V16-Y42 HydrophobicContact CG2-CG 4.21Å; R19-Y42 WeakPolarHBondContact CD-OH 3.41Å; R19-Y42 PolarHBondContact NE-OH 2.67Å; C24-Y42 PolarHBondContact O-OH 3.04Å; N25-Y42 VanDerWaalsContact CB-O 3.26Å; N25-Y42 WeakPolarHBondContact CB-O 3.42Å; N25-Y42 WeakPolarHBondContact O-CD1 3.41Å; N25-Y42 PolarHBondContact O-N 3.03Å; L27-Y42 HydrophobicContact CD1-CD1 3.97Å; L27-Y42 HydrophobicContact CD1-CE1 3.73Å; L27-Y42 HydrophobicContact CG-CD1 4.4Å; L27-Y42 HydrophobicContact CG-CE1 4.02Å; Y42-Y49 HydrophobicContact CD2-CD1 4.01Å; Y42-Y49 HydrophobicContact CD2-CE1 4.32Å; Y42-Y49 HydrophobicContact CE2-CD1 4.44Å; Y42-Y49 HydrophobicContact CE2-CE1 4.29Å; Y42-F50 CarbonylContact C-O 3.59Å; Y42-F50 WeakPolarHBondContact CA-O 3.24Å; Y42-F50 WeakPolarHBondContact CB-O 3.15Å
43	R	94.8	Very high	89.3	Confident	59 Å²	59	49.3 Å²	49.3	22%	0.223	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.1	167.4	-171.9	172.6	-95.6	165.1	-3.2	110.7	Y45 F50 L64 I67	R43-Y45 HydrophobicContact CB-CD2 4.34Å; R43-Y45 HydrophobicContact CB-CE2 3.76Å; R43-Y45 WeakPolarHBondContact CD-OH 3.48Å; R43-Y45 HydrophobicContact CG-CD2 4.02Å; R43-Y45 HydrophobicContact CG-CE2 3.47Å; R43-Y45 VanDerWaalsContact CG-CE2 3.47Å; R43-Y45 PolarHBondContact NH1-OH 2.71Å; R43-F50 PolarHBondContact N-O 3.13Å; R43-F50 PolarHBondContact O-N 3.43Å; R43-L64 HydrophobicContact CB-CD1 4.22Å; R43-I67 HydrophobicContact CB-CG2 4.04Å
44	H	92.8	Very high	90.1	Very high	58 Å²	58	49.4 Å²	49.4	27%	0.269	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.5	177	-172.4	-138.7	0	0	0	109.8	E21 A46 L48 Y49	E21-H44 IonicContact OE1-CE1 3.59Å; E21-H44 IonicContact OE1-ND1 3.12Å; E21-H44 PolarHBondContact OE1-ND1 3.47Å; E21-H44 VanDerWaalsContact OE1-ND1 3.12Å; H44-A46 PolarHBondContact CE1-O 3.12Å; H44-A46 PolarHBondContact NE2-O 2.91Å; H44-A46 VanDerWaalsContact NE2-O 3.1Å; H44-L48 PolarHBondContact CD2-O 3Å; H44-Y49 HydrophobicContact CB-CD1 4.06Å; H44-Y49 HydrophobicContact CB-CE1 3.72Å; H44-Y49 AromaticContact CD2-CD1 3.99Å; H44-Y49 AromaticContact CD2-CD2 3.76Å; H44-Y49 AromaticContact CD2-CE1 3.67Å; H44-Y49 AromaticContact CD2-CE2 3.38Å; H44-Y49 WeakPolarHBondContact CD2-CE2 3.33Å; H44-Y49 AromaticContact CD2-CZ 3.34Å; H44-Y49 AromaticContact CG-CE1 3.79Å; H44-Y49 AromaticContact CG-CZ 3.73Å; H44-Y49 AromaticContact NE2-CE2 3.6Å; H44-Y49 AromaticContact NE2-CZ 3.75Å
45	Y	92.2	Very high	91.2	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.6	172.8	-67.5	-92.8	0	0	0	109	R43 T47 L48 F50 I67 Q68 V71	R43-Y45 HydrophobicContact CB-CD2 4.34Å; R43-Y45 HydrophobicContact CB-CE2 3.76Å; R43-Y45 WeakPolarHBondContact CD-OH 3.48Å; R43-Y45 HydrophobicContact CG-CD2 4.02Å; R43-Y45 HydrophobicContact CG-CE2 3.47Å; R43-Y45 VanDerWaalsContact CG-CE2 3.47Å; R43-Y45 PolarHBondContact NH1-OH 2.71Å; Y45-T47 PolarHBondContact O-N 3.43Å; Y45-L48 PolarHBondContact N-O 2.99Å; Y45-L48 PolarHBondContact O-N 3.4Å; Y45-F50 AromaticContact CD2-CD2 3.62Å; Y45-F50 HydrophobicContact CD2-CD2 3.62Å; Y45-F50 HydrophobicContact CD2-CE2 4.01Å; Y45-F50 HydrophobicContact CD2-CG 4.5Å; Y45-F50 HydrophobicContact CE2-CD2 4.27Å; Y45-F50 HydrophobicContact CG-CD2 4.49Å; Y45-F50 HydrophobicContact CG-CE2 4.49Å; Y45-I67 HydrophobicContact CE2-CG2 4.02Å; Y45-Q68 PolarHBondContact OH-OE1 2.93Å; Y45-V71 HydrophobicContact CD1-CG1 3.97Å; Y45-V71 HydrophobicContact CD2-CG1 4.36Å; Y45-V71 HydrophobicContact CD2-CG2 3.95Å; Y45-V71 HydrophobicContact CE1-CB 4.38Å; Y45-V71 HydrophobicContact CE1-CG1 3.96Å; Y45-V71 HydrophobicContact CE2-CB 4.21Å; Y45-V71 HydrophobicContact CE2-CG1 4.33Å; Y45-V71 HydrophobicContact CE2-CG2 3.64Å; Y45-V71 HydrophobicContact CG-CG1 4.16Å
46	A	90	Very high	91.7	Very high	93 Å²	93	52.7 Å²	52.7	77%	0.769	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-94.4	-176.5	0	0	0	0	0	113.6	H44	H44-A46 PolarHBondContact CE1-O 3.12Å; H44-A46 PolarHBondContact NE2-O 2.91Å; H44-A46 VanDerWaalsContact NE2-O 3.1Å
47	T	89.9	Confident	92.4	Very high	84 Å²	84	53.2 Å²	53.2	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-3.5	-179.4	60.1	0	0	0	0	112.5	Y45 E83	Y45-T47 PolarHBondContact O-N 3.43Å; T47-E83 WeakPolarHBondContact CB-OE2 3.46Å; T47-E83 WeakPolarHBondContact CG2-OE2 3.31Å; T47-E83 PolarHBondContact OG1-OE2 2.93Å
48	L	92.4	Very high	92.9	Very high	57 Å²	57	53.1 Å²	53.1	30%	0.298	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.2	-170.3	-63.3	176.3	0	0	0	111.6	H44 Y45 F50 E83 L86	H44-L48 PolarHBondContact CD2-O 3Å; Y45-L48 PolarHBondContact N-O 2.99Å; Y45-L48 PolarHBondContact O-N 3.4Å; L48-F50 HydrophobicContact CB-CD2 4.38Å; L48-F50 HydrophobicContact CB-CE2 3.8Å; L48-F50 HydrophobicContact CD1-CE2 4.2Å; L48-F50 HydrophobicContact CD1-CZ 4.24Å; L48-E83 HydrophobicContact CD1-CB 4.07Å; L48-E83 HydrophobicContact CD2-CB 3.98Å; L48-E83 HydrophobicContact CG-CB 4.12Å; L48-L86 HydrophobicContact CD1-CD1 3.54Å
49	Y	93.9	Very high	93.1	Very high	87 Å²	87	54.4 Å²	54.4	34%	0.341	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121	169.8	-73.5	-90.1	0	0	0	109.7	V16 Y42 H44	V16-Y49 HydrophobicContact CG1-CD1 3.27Å; V16-Y49 HydrophobicContact CG1-CE1 3.57Å; V16-Y49 HydrophobicContact CG1-CG 3.97Å; Y42-Y49 HydrophobicContact CD2-CD1 4.01Å; Y42-Y49 HydrophobicContact CD2-CE1 4.32Å; Y42-Y49 HydrophobicContact CE2-CD1 4.44Å; Y42-Y49 HydrophobicContact CE2-CE1 4.29Å; H44-Y49 HydrophobicContact CB-CD1 4.06Å; H44-Y49 HydrophobicContact CB-CE1 3.72Å; H44-Y49 AromaticContact CD2-CD1 3.99Å; H44-Y49 AromaticContact CD2-CD2 3.76Å; H44-Y49 AromaticContact CD2-CE1 3.67Å; H44-Y49 AromaticContact CD2-CE2 3.38Å; H44-Y49 WeakPolarHBondContact CD2-CE2 3.33Å; H44-Y49 AromaticContact CD2-CZ 3.34Å; H44-Y49 AromaticContact CG-CE1 3.79Å; H44-Y49 AromaticContact CG-CZ 3.73Å; H44-Y49 AromaticContact NE2-CE2 3.6Å; H44-Y49 AromaticContact NE2-CZ 3.75Å
50	F	95.5	Very high	93.2	Very high	26 Å²	26	55 Å²	55	11%	0.114	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.3	170.9	-68.1	-99.4	0	0	0	107.7	Y42 R43 Y45 L48 I67 F70 V71 L74 L86	Y42-F50 CarbonylContact C-O 3.59Å; Y42-F50 WeakPolarHBondContact CA-O 3.24Å; Y42-F50 WeakPolarHBondContact CB-O 3.15Å; R43-F50 PolarHBondContact N-O 3.13Å; R43-F50 PolarHBondContact O-N 3.43Å; Y45-F50 AromaticContact CD2-CD2 3.62Å; Y45-F50 HydrophobicContact CD2-CD2 3.62Å; Y45-F50 HydrophobicContact CD2-CE2 4.01Å; Y45-F50 HydrophobicContact CD2-CG 4.5Å; Y45-F50 HydrophobicContact CE2-CD2 4.27Å; Y45-F50 HydrophobicContact CG-CD2 4.49Å; Y45-F50 HydrophobicContact CG-CE2 4.49Å; L48-F50 HydrophobicContact CB-CD2 4.38Å; L48-F50 HydrophobicContact CB-CE2 3.8Å; L48-F50 HydrophobicContact CD1-CE2 4.2Å; L48-F50 HydrophobicContact CD1-CZ 4.24Å; F50-I67 HydrophobicContact CB-CG2 3.72Å; F50-I67 HydrophobicContact CG-CG2 4.45Å; F50-F70 AromaticContact CD1-CD1 3.89Å; F50-F70 HydrophobicContact CD1-CD1 3.89Å; F50-F70 AromaticContact CD1-CE1 3.88Å; F50-F70 HydrophobicContact CD1-CE1 3.88Å; F50-F70 HydrophobicContact CE1-CD1 4.08Å; F50-F70 AromaticContact CE1-CE1 3.84Å; F50-F70 HydrophobicContact CE1-CE1 3.84Å; F50-V71 HydrophobicContact CD1-CG2 3.79Å; F50-V71 HydrophobicContact CD2-CG2 3.86Å; F50-V71 HydrophobicContact CE1-CG2 3.7Å; F50-V71 HydrophobicContact CE2-CG2 3.76Å; F50-V71 HydrophobicContact CG-CG2 3.87Å; F50-V71 HydrophobicContact CZ-CG2 3.68Å; F50-L74 HydrophobicContact CE1-CD1 3.92Å; F50-L74 HydrophobicContact CZ-CD1 4.31Å; F50-L86 HydrophobicContact CZ-CD1 4.29Å
51	V	95	Very high	93.4	Very high	50 Å²	50	60 Å²	60	30%	0.303	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.1	-173.2	-170.7	0	0	0	0	109.8	T12 V16 L40 I41	T12-V51 HydrophobicContact CG2-CB 4.5Å; T12-V51 HydrophobicContact CG2-CG1 3.9Å; T12-V51 HydrophobicContact CG2-CG2 4.47Å; V16-V51 HydrophobicContact CG2-CG2 4.48Å; L40-V51 HydrophobicContact CB-CG1 4.42Å; L40-V51 HydrophobicContact CD2-CG1 4.08Å; I41-V51 CarbonylContact O-C 3.54Å; I41-V51 WeakPolarHBondContact O-CA 3.46Å
52	F	95	Very high	93.4	Very high	39 Å²	39	61.8 Å²	61.8	17%	0.171	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.1	172.1	-83.5	-118.8	0	0	0	109.1	L40 I41 V54 I63 L66 I67 L97	L40-F52 WeakPolarHBondContact CA-O 3.27Å; I41-F52 PolarHBondContact N-O 3.1Å; I41-F52 PolarHBondContact O-N 3.36Å; F52-V54 HydrophobicContact CB-CG1 4.44Å; F52-I63 HydrophobicContact CB-CG2 3.63Å; F52-I63 HydrophobicContact CD1-CG2 4.26Å; F52-I63 HydrophobicContact CG-CG2 4.07Å; F52-L66 HydrophobicContact CD1-CD2 4.42Å; F52-L66 HydrophobicContact CE1-CD2 3.91Å; F52-I67 HydrophobicContact CB-CD1 4.48Å; F52-I67 HydrophobicContact CD2-CD1 3.91Å; F52-I67 HydrophobicContact CD2-CG1 3.54Å; F52-I67 HydrophobicContact CE2-CG1 3.84Å; F52-I67 HydrophobicContact CG-CD1 4.46Å; F52-I67 HydrophobicContact CG-CG1 4.25Å; F52-L97 HydrophobicContact CZ-CD1 4.3Å
53	C	93.4	Very high	93.4	Very high	69 Å²	69	62.1 Å²	62.1	47%	0.466	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	168.6	178.8	0	0	0	0	108.2	I33 K39 L40	I33-C53 HydrophobicContact CG2-CB 4.36Å; I33-C53 WeakPolarHBondContact CG2-SG 3.32Å; K39-C53 WeakPolarHBondContact O-CA 3.45Å; L40-C53 HydrophobicContact CD2-CB 3.77Å
54	V	93.8	Very high	93.5	Very high	17 Å²	17	59.9 Å²	59.9	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.2	-176.7	-60.4	0	0	0	0	110.9	N38 K39 I41 F52 E58 I63	N38-V54 CarbonylContact C-O 3.49Å; N38-V54 VanDerWaalsContact CA-O 3.31Å; N38-V54 WeakPolarHBondContact CA-O 3.35Å; K39-V54 HydrophobicContact CB-CG2 4.29Å; K39-V54 PolarHBondContact N-O 3.19Å; K39-V54 PolarHBondContact O-N 3.32Å; I41-V54 HydrophobicContact CD1-CG2 3.67Å; I41-V54 HydrophobicContact CG1-CG2 4.28Å; F52-V54 HydrophobicContact CB-CG1 4.44Å; V54-E58 HydrophobicContact CB-CB 4.08Å; V54-E58 HydrophobicContact CB-CG 4.22Å; V54-E58 HydrophobicContact CG2-CB 4.21Å; V54-I63 HydrophobicContact CG1-CD1 3.84Å; V54-I63 HydrophobicContact CG1-CG1 3.84Å; V54-I63 HydrophobicContact CG1-CG2 4.08Å; V54-I63 HydrophobicContact CG2-CG1 4.38Å
55	D	91.8	Very high	93.7	Very high	68 Å²	68	62 Å²	62	36%	0.364	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	154.6	170.6	178.3	25.9	0	0	0	110.2	N38 S57 E58	N38-D55 WeakPolarHBondContact OD1-CA 2.97Å; D55-S57 PolarHBondContact O-N 2.81Å; D55-S57 VanDerWaalsContact OD2-CB 3.32Å; D55-S57 WeakPolarHBondContact OD2-CB 3.29Å; D55-S57 PolarHBondContact OD2-OG 3.3Å; D55-E58 PolarHBondContact O-N 3.44Å
56	S	89.2	Confident	93.9	Very high	57 Å²	57	60.1 Å²	60.1	40%	0.399	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-22.7	170.5	62.1	0	0	0	0	114.9	D37 E58	D37-S56 WeakPolarHBondContact O-CB 3.36Å; D37-S56 PolarHBondContact O-N 2.96Å; D37-S56 PolarHBondContact O-OG 3.4Å; S56-E58 VanDerWaalsContact C-N 3.33Å
57	S	91.3	Very high	94.3	Very high	95 Å²	95	55.7 Å²	55.7	66%	0.664	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.8	177.1	-54.8	0	0	0	0	114.1	D55	D55-S57 PolarHBondContact O-N 2.81Å; D55-S57 VanDerWaalsContact OD2-CB 3.32Å; D55-S57 WeakPolarHBondContact OD2-CB 3.29Å; D55-S57 PolarHBondContact OD2-OG 3.3Å
58	E	93.9	Very high	94.5	Very high	103 Å²	103	54.5 Å²	54.5	48%	0.481	31%	0.307	S	S	.	.	S	Bend	trans	-84.6	149.8	-176.8	-66	-59.2	152.3	0	0	112.6	V54 D55 S56 E60 I63	V54-E58 HydrophobicContact CB-CB 4.08Å; V54-E58 HydrophobicContact CB-CG 4.22Å; V54-E58 HydrophobicContact CG2-CB 4.21Å; D55-E58 PolarHBondContact O-N 3.44Å; S56-E58 VanDerWaalsContact C-N 3.33Å; E58-E60 PolarHBondContact O-N 3.07Å; E58-I63 HydrophobicContact CB-CG1 4.38Å
59	S	94.9	Very high	94.8	Very high	70 Å²	70	53.1 Å²	53.1	49%	0.49	30%	0.301	S	S	.	.			trans	-75.9	121.6	176.8	173.7	0	0	0	0	110.9	L61 G62 I63	S59-L61 VanDerWaalsContact C-N 3.29Å; S59-L61 PolarHBondContact O-N 2.81Å; S59-G62 PolarHBondContact O-N 3.09Å; S59-G62 VanDerWaalsContact O-N 3.11Å; S59-G62 PolarHBondContact OG-N 3.09Å; S59-I63 WeakPolarHBondContact O-CG1 3.29Å; S59-I63 PolarHBondContact O-N 3.08Å; S59-I63 VanDerWaalsContact O-N 3.12Å
60	E	94.1	Very high	94.9	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.271	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-34.9	-175.7	-56.8	91.2	158.6	0	0	113	F26 K39 I41 E58 L64	F26-E60 HydrophobicContact CD1-CB 3.69Å; F26-E60 HydrophobicContact CD1-CG 4.33Å; F26-E60 HydrophobicContact CD2-CB 4.18Å; F26-E60 HydrophobicContact CE1-CB 3.58Å; F26-E60 HydrophobicContact CE2-CB 4.08Å; F26-E60 HydrophobicContact CG-CB 4Å; F26-E60 HydrophobicContact CG-CG 4.3Å; F26-E60 HydrophobicContact CZ-CB 3.79Å; K39-E60 HydrophobicContact CD-CG 4.17Å; K39-E60 IonicContact NZ-OE1 2.67Å; K39-E60 PolarHBondContact NZ-OE1 3.19Å; I41-E60 VanDerWaalsContact CD1-CA 3.43Å; I41-E60 HydrophobicContact CD1-CB 3.71Å; I41-E60 HydrophobicContact CD1-CG 3.96Å; I41-E60 HydrophobicContact CG1-CB 4.42Å; E58-E60 PolarHBondContact O-N 3.07Å; E60-L64 WeakPolarHBondContact O-CB 3.43Å; E60-L64 PolarHBondContact O-N 2.93Å
61	L	95.9	Very high	95	Very high	110 Å²	110	49.2 Å²	49.2	58%	0.576	29%	0.287	S	S	*	.	H	α-helix	trans	-69.3	-37	175.1	-68	174.6	0	0	0	111.8	F26 S59 I63 L64 D65	F26-L61 HydrophobicContact CZ-CD2 3.91Å; F26-L61 HydrophobicContact CZ-CG 4.47Å; S59-L61 VanDerWaalsContact C-N 3.29Å; S59-L61 PolarHBondContact O-N 2.81Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-I63 PolarHBondContact O-N 3.14Å; L61-L64 PolarHBondContact O-N 3.35Å; L61-D65 PolarHBondContact O-N 3.01Å
62	G	95.9	Very high	95	Very high	37 Å²	37	50.6 Å²	50.6	38%	0.381	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-40	177.4	0	0	0	0	0	112.3	S59 D65 L66	S59-G62 PolarHBondContact O-N 3.09Å; S59-G62 VanDerWaalsContact O-N 3.11Å; S59-G62 PolarHBondContact OG-N 3.09Å; G62-D65 PolarHBondContact O-N 2.98Å; G62-L66 PolarHBondContact O-N 2.72Å
63	I	96.8	Very high	95.1	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.077	28%	0.282	C	S	.	.	H	α-helix	trans	-71.1	-36.2	175.2	-57.1	-62.4	0	0	0	111.3	I41 F52 V54 E58 S59 L61 D65 L66 I67	I41-I63 HydrophobicContact CB-CG2 3.96Å; I41-I63 HydrophobicContact CD1-CB 3.55Å; I41-I63 HydrophobicContact CD1-CG1 3.95Å; I41-I63 HydrophobicContact CD1-CG2 3.8Å; I41-I63 HydrophobicContact CG1-CG2 4.45Å; I41-I63 HydrophobicContact CG2-CB 4.35Å; I41-I63 HydrophobicContact CG2-CG2 4.04Å; F52-I63 HydrophobicContact CB-CG2 3.63Å; F52-I63 HydrophobicContact CD1-CG2 4.26Å; F52-I63 HydrophobicContact CG-CG2 4.07Å; V54-I63 HydrophobicContact CG1-CD1 3.84Å; V54-I63 HydrophobicContact CG1-CG1 3.84Å; V54-I63 HydrophobicContact CG1-CG2 4.08Å; V54-I63 HydrophobicContact CG2-CG1 4.38Å; E58-I63 HydrophobicContact CB-CG1 4.38Å; S59-I63 WeakPolarHBondContact O-CG1 3.29Å; S59-I63 PolarHBondContact O-N 3.08Å; S59-I63 VanDerWaalsContact O-N 3.12Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-I63 PolarHBondContact O-N 3.14Å; I63-D65 VanDerWaalsContact C-N 3.29Å; I63-D65 PolarHBondContact O-N 2.87Å; I63-L66 HydrophobicContact CD1-CD2 4.49Å; I63-L66 WeakPolarHBondContact O-CB 3.24Å; I63-L66 PolarHBondContact O-N 3.34Å; I63-I67 WeakPolarHBondContact O-CG1 3.31Å; I63-I67 PolarHBondContact O-N 3.45Å
64	L	96.1	Very high	95.2	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-37.2	174.8	-168.3	66.2	0	0	0	111.9	N25 F26 I41 R43 E60 L61 I67 Q68	N25-L64 HydrophobicContact CB-CD1 4.18Å; F26-L64 HydrophobicContact CE1-CB 4.44Å; F26-L64 HydrophobicContact CE1-CD2 4.28Å; F26-L64 HydrophobicContact CZ-CD2 4.37Å; I41-L64 HydrophobicContact CG2-CB 4.24Å; I41-L64 HydrophobicContact CG2-CD1 4.21Å; R43-L64 HydrophobicContact CB-CD1 4.22Å; E60-L64 WeakPolarHBondContact O-CB 3.43Å; E60-L64 PolarHBondContact O-N 2.93Å; L61-L64 PolarHBondContact O-N 3.35Å; L64-I67 PolarHBondContact O-N 3.05Å; L64-Q68 PolarHBondContact O-N 3.18Å
65	D	96.5	Very high	95.3	Very high	103 Å²	103	47.9 Å²	47.9	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-70.1	-36.6	172.5	-72.6	-15.9	0	0	0	111.5	L61 G62 I63 I67 Q68 V69	L61-D65 PolarHBondContact O-N 3.01Å; G62-D65 PolarHBondContact O-N 2.98Å; I63-D65 VanDerWaalsContact C-N 3.29Å; I63-D65 PolarHBondContact O-N 2.87Å; D65-I67 VanDerWaalsContact C-N 3.33Å; D65-I67 PolarHBondContact O-N 3.2Å; D65-Q68 VanDerWaalsContact O-CB 3.3Å; D65-Q68 WeakPolarHBondContact O-CB 3.43Å; D65-Q68 PolarHBondContact O-N 3.26Å; D65-Q68 VanDerWaalsContact O-N 3.12Å; D65-V69 WeakPolarHBondContact O-CG2 3.18Å; D65-V69 PolarHBondContact O-N 2.9Å
66	L	96.9	Very high	95.4	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-41.2	173.1	-177.1	65.3	0	0	0	112	F52 G62 I63 Q68 V69 F70 M100 V101 V106 T109	F52-L66 HydrophobicContact CD1-CD2 4.42Å; F52-L66 HydrophobicContact CE1-CD2 3.91Å; G62-L66 PolarHBondContact O-N 2.72Å; I63-L66 HydrophobicContact CD1-CD2 4.49Å; I63-L66 WeakPolarHBondContact O-CB 3.24Å; I63-L66 PolarHBondContact O-N 3.34Å; L66-Q68 VanDerWaalsContact C-N 3.29Å; L66-Q68 PolarHBondContact O-N 3.47Å; L66-V69 PolarHBondContact O-N 3.21Å; L66-F70 PolarHBondContact O-N 3.16Å; L66-M100 HydrophobicContact CD1-CE 3.6Å; L66-M100 HydrophobicContact CG-CE 4.44Å; L66-V101 HydrophobicContact CD2-CG2 4.05Å; L66-V106 HydrophobicContact CD1-CG1 4.05Å; L66-V106 HydrophobicContact CD1-CG2 4.47Å; L66-V106 HydrophobicContact CD2-CG2 3.74Å; L66-T109 HydrophobicContact CD1-CG2 4.37Å
67	I	97.4	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-42.1	173.7	-67.7	172	0	0	0	110.4	I41 R43 Y45 F50 F52 I63 L64 D65 F70 V71	I41-I67 HydrophobicContact CG2-CD1 4.15Å; R43-I67 HydrophobicContact CB-CG2 4.04Å; Y45-I67 HydrophobicContact CE2-CG2 4.02Å; F50-I67 HydrophobicContact CB-CG2 3.72Å; F50-I67 HydrophobicContact CG-CG2 4.45Å; F52-I67 HydrophobicContact CB-CD1 4.48Å; F52-I67 HydrophobicContact CD2-CD1 3.91Å; F52-I67 HydrophobicContact CD2-CG1 3.54Å; F52-I67 HydrophobicContact CE2-CG1 3.84Å; F52-I67 HydrophobicContact CG-CD1 4.46Å; F52-I67 HydrophobicContact CG-CG1 4.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.31Å; I63-I67 PolarHBondContact O-N 3.45Å; L64-I67 PolarHBondContact O-N 3.05Å; D65-I67 VanDerWaalsContact C-N 3.33Å; D65-I67 PolarHBondContact O-N 3.2Å; I67-F70 PolarHBondContact O-N 2.98Å; I67-V71 HydrophobicContact CG2-CG2 4.48Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.35Å
68	Q	96.1	Very high	95.7	Very high	59 Å²	59	44.5 Å²	44.5	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-51.4	175.8	-176	73.9	10.9	0	0	111.2	Y45 L64 D65 L66 F70 V71 E72	Y45-Q68 PolarHBondContact OH-OE1 2.93Å; L64-Q68 PolarHBondContact O-N 3.18Å; D65-Q68 VanDerWaalsContact O-CB 3.3Å; D65-Q68 WeakPolarHBondContact O-CB 3.43Å; D65-Q68 PolarHBondContact O-N 3.26Å; D65-Q68 VanDerWaalsContact O-N 3.12Å; L66-Q68 VanDerWaalsContact C-N 3.29Å; L66-Q68 PolarHBondContact O-N 3.47Å; Q68-F70 PolarHBondContact O-N 2.74Å; Q68-V71 PolarHBondContact O-N 2.89Å; Q68-E72 HydrophobicContact CG-CG 4.41Å; Q68-E72 PolarHBondContact NE2-OE1 3.42Å; Q68-E72 WeakPolarHBondContact O-CB 3.42Å; Q68-E72 WeakPolarHBondContact O-CG 3.44Å; Q68-E72 PolarHBondContact O-N 2.81Å
69	V	97	Very high	95.5	Very high	28 Å²	28	47.6 Å²	47.6	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-40.1	178.9	173.3	0	0	0	0	110.8	D65 L66 T73 M100 T109 M111	D65-V69 WeakPolarHBondContact O-CG2 3.18Å; D65-V69 PolarHBondContact O-N 2.9Å; L66-V69 PolarHBondContact O-N 3.21Å; V69-T73 VanDerWaalsContact O-CB 3.29Å; V69-T73 WeakPolarHBondContact O-CB 3.4Å; V69-T73 PolarHBondContact O-N 3.38Å; V69-T73 PolarHBondContact O-OG1 2.89Å; V69-M100 HydrophobicContact CB-CE 4.1Å; V69-M100 HydrophobicContact CG1-CE 3.69Å; V69-T109 VanDerWaalsContact CG1-O 3.29Å; V69-T109 WeakPolarHBondContact CG1-O 3.41Å; V69-M111 HydrophobicContact CG1-CG 4.03Å
70	F	97.4	Very high	95.3	Very high	13 Å²	13	50.7 Å²	50.7	6%	0.057	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-48.9	178.8	178.4	-133	0	0	0	111.7	F50 L66 I67 Q68 T73 L74 V93 I96 L97 M100	F50-F70 AromaticContact CD1-CD1 3.89Å; F50-F70 HydrophobicContact CD1-CD1 3.89Å; F50-F70 AromaticContact CD1-CE1 3.88Å; F50-F70 HydrophobicContact CD1-CE1 3.88Å; F50-F70 HydrophobicContact CE1-CD1 4.08Å; F50-F70 AromaticContact CE1-CE1 3.84Å; F50-F70 HydrophobicContact CE1-CE1 3.84Å; L66-F70 PolarHBondContact O-N 3.16Å; I67-F70 PolarHBondContact O-N 2.98Å; Q68-F70 PolarHBondContact O-N 2.74Å; F70-T73 PolarHBondContact O-N 3.38Å; F70-L74 HydrophobicContact CD1-CD1 4.25Å; F70-L74 HydrophobicContact CD2-CD1 4.28Å; F70-L74 HydrophobicContact CD2-CG 4.22Å; F70-L74 HydrophobicContact CE1-CD1 3.88Å; F70-L74 HydrophobicContact CE2-CD1 3.92Å; F70-L74 HydrophobicContact CE2-CD2 4.05Å; F70-L74 HydrophobicContact CE2-CG 3.93Å; F70-L74 HydrophobicContact CG-CD1 4.46Å; F70-L74 HydrophobicContact CZ-CD1 3.71Å; F70-L74 HydrophobicContact CZ-CD2 4.34Å; F70-L74 HydrophobicContact CZ-CG 4.23Å; F70-L74 WeakPolarHBondContact O-CG 3.3Å; F70-L74 PolarHBondContact O-N 3.44Å; F70-V93 HydrophobicContact CZ-CG1 4.02Å; F70-I96 HydrophobicContact CD2-CG2 4.25Å; F70-I96 HydrophobicContact CE2-CG2 4.05Å; F70-L97 HydrophobicContact CD2-CD1 4.48Å; F70-L97 HydrophobicContact CE2-CB 4.04Å; F70-L97 HydrophobicContact CE2-CD1 4.22Å; F70-L97 HydrophobicContact CZ-CB 4.23Å; F70-L97 HydrophobicContact CZ-CD1 4.27Å; F70-M100 HydrophobicContact CB-CE 3.78Å; F70-M100 HydrophobicContact CB-SD 3.85Å; F70-M100 HydrophobicContact CD2-SD 3.64Å; F70-M100 HydrophobicContact CG-SD 4.19Å
71	V	96.2	Very high	95.3	Very high	18 Å²	18	49.7 Å²	49.7	11%	0.109	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-40.6	-179.7	176.1	0	0	0	0	111.9	Y45 F50 I67 Q68 T73 L74 D75	Y45-V71 HydrophobicContact CD1-CG1 3.97Å; Y45-V71 HydrophobicContact CD2-CG1 4.36Å; Y45-V71 HydrophobicContact CD2-CG2 3.95Å; Y45-V71 HydrophobicContact CE1-CB 4.38Å; Y45-V71 HydrophobicContact CE1-CG1 3.96Å; Y45-V71 HydrophobicContact CE2-CB 4.21Å; Y45-V71 HydrophobicContact CE2-CG1 4.33Å; Y45-V71 HydrophobicContact CE2-CG2 3.64Å; Y45-V71 HydrophobicContact CG-CG1 4.16Å; F50-V71 HydrophobicContact CD1-CG2 3.79Å; F50-V71 HydrophobicContact CD2-CG2 3.86Å; F50-V71 HydrophobicContact CE1-CG2 3.7Å; F50-V71 HydrophobicContact CE2-CG2 3.76Å; F50-V71 HydrophobicContact CG-CG2 3.87Å; F50-V71 HydrophobicContact CZ-CG2 3.68Å; I67-V71 HydrophobicContact CG2-CG2 4.48Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.35Å; Q68-V71 PolarHBondContact O-N 2.89Å; V71-T73 VanDerWaalsContact C-N 3.33Å; V71-T73 PolarHBondContact O-N 2.96Å; V71-L74 WeakPolarHBondContact O-CB 3.49Å; V71-L74 PolarHBondContact O-N 3.42Å; V71-D75 PolarHBondContact O-N 3.14Å
72	E	96	Very high	95.1	Very high	79 Å²	79	47.2 Å²	47.2	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-65.3	-37.1	175	-71.1	-178.8	179.8	0	0	112.1	Q68 D75 K76 M111	Q68-E72 HydrophobicContact CG-CG 4.41Å; Q68-E72 PolarHBondContact NE2-OE1 3.42Å; Q68-E72 WeakPolarHBondContact O-CB 3.42Å; Q68-E72 WeakPolarHBondContact O-CG 3.44Å; Q68-E72 PolarHBondContact O-N 2.81Å; E72-D75 PolarHBondContact O-N 2.71Å; E72-K76 WeakPolarHBondContact O-CB 3.49Å; E72-K76 PolarHBondContact O-N 3.32Å; E72-M111 HydrophobicContact CB-SD 3.53Å; E72-M111 VanDerWaalsContact CB-SD 3.53Å; E72-M111 WeakPolarHBondContact OE2-CE 3.28Å
73	T	96.4	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-42.7	174.3	-57.4	0	0	0	0	111	V69 F70 V71 K76 C77 I96 M111 I114 V115	V69-T73 VanDerWaalsContact O-CB 3.29Å; V69-T73 WeakPolarHBondContact O-CB 3.4Å; V69-T73 PolarHBondContact O-N 3.38Å; V69-T73 PolarHBondContact O-OG1 2.89Å; F70-T73 PolarHBondContact O-N 3.38Å; V71-T73 VanDerWaalsContact C-N 3.33Å; V71-T73 PolarHBondContact O-N 2.96Å; T73-K76 PolarHBondContact O-N 2.68Å; T73-C77 WeakPolarHBondContact O-CB 3.36Å; T73-C77 PolarHBondContact O-N 3.45Å; T73-C77 PolarHBondContact O-SG 3.35Å; T73-C77 VanDerWaalsContact O-SG 3.35Å; T73-I96 HydrophobicContact CG2-CG2 3.73Å; T73-M111 WeakPolarHBondContact OG1-CG 3.39Å; T73-I114 HydrophobicContact CG2-CB 4.25Å; T73-I114 HydrophobicContact CG2-CG2 3.71Å; T73-V115 HydrophobicContact CG2-CG2 4.33Å
74	L	96.4	Very high	94.8	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-48.9	173.8	-69.9	171.4	0	0	0	111.2	F50 F70 V71 K76 C77 F78 L86 V93 I96	F50-L74 HydrophobicContact CE1-CD1 3.92Å; F50-L74 HydrophobicContact CZ-CD1 4.31Å; F70-L74 HydrophobicContact CD1-CD1 4.25Å; F70-L74 HydrophobicContact CD2-CD1 4.28Å; F70-L74 HydrophobicContact CD2-CG 4.22Å; F70-L74 HydrophobicContact CE1-CD1 3.88Å; F70-L74 HydrophobicContact CE2-CD1 3.92Å; F70-L74 HydrophobicContact CE2-CD2 4.05Å; F70-L74 HydrophobicContact CE2-CG 3.93Å; F70-L74 HydrophobicContact CG-CD1 4.46Å; F70-L74 HydrophobicContact CZ-CD1 3.71Å; F70-L74 HydrophobicContact CZ-CD2 4.34Å; F70-L74 HydrophobicContact CZ-CG 4.23Å; F70-L74 WeakPolarHBondContact O-CG 3.3Å; F70-L74 PolarHBondContact O-N 3.44Å; V71-L74 WeakPolarHBondContact O-CB 3.49Å; V71-L74 PolarHBondContact O-N 3.42Å; L74-K76 VanDerWaalsContact C-N 3.27Å; L74-K76 PolarHBondContact O-N 2.99Å; L74-C77 PolarHBondContact O-N 3.11Å; L74-C77 VanDerWaalsContact O-N 3.14Å; L74-F78 HydrophobicContact CD2-CD2 4.45Å; L74-F78 HydrophobicContact CD2-CE2 4.01Å; L74-F78 VanDerWaalsContact O-CD2 3.31Å; L74-F78 WeakPolarHBondContact O-CD2 3.22Å; L74-F78 PolarHBondContact O-N 2.9Å; L74-L86 HydrophobicContact CD1-CD2 4.14Å; L74-L86 HydrophobicContact CD2-CD2 4.12Å; L74-V93 HydrophobicContact CD2-CB 4.49Å; L74-V93 HydrophobicContact CD2-CG1 4.16Å; L74-V93 HydrophobicContact CD2-CG2 4.17Å; L74-I96 HydrophobicContact CD2-CD1 3.81Å; L74-I96 HydrophobicContact CD2-CG2 4.34Å
75	D	95.1	Very high	94.8	Very high	67 Å²	67	54.9 Å²	54.9	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-57.7	-41.3	179.2	-170.7	58.3	0	0	0	112.4	V71 E72 E79 N80 V81	V71-D75 PolarHBondContact O-N 3.14Å; E72-D75 PolarHBondContact O-N 2.71Å; D75-E79 WeakPolarHBondContact O-CA 3.46Å; D75-E79 PolarHBondContact O-N 2.93Å; D75-N80 PolarHBondContact O-N 3.44Å; D75-N80 VanDerWaalsContact OD1-CA 3.22Å; D75-N80 WeakPolarHBondContact OD1-CA 3.4Å; D75-V81 HydrophobicContact CB-CG1 3.94Å; D75-V81 PolarHBondContact OD1-N 3.49Å
76	K	94	Very high	94.7	Very high	98 Å²	98	51.3 Å²	51.3	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-39.3	176.3	-172.1	170.2	177	-178.3	0	113	E72 T73 L74 F78 N112 V115	E72-K76 WeakPolarHBondContact O-CB 3.49Å; E72-K76 PolarHBondContact O-N 3.32Å; T73-K76 PolarHBondContact O-N 2.68Å; L74-K76 VanDerWaalsContact C-N 3.27Å; L74-K76 PolarHBondContact O-N 2.99Å; K76-F78 VanDerWaalsContact C-N 3.35Å; K76-N112 PolarHBondContact NZ-OD1 3.03Å; K76-V115 HydrophobicContact CD-CG2 4.06Å; K76-V115 HydrophobicContact CG-CG2 4.25Å
77	C	93.2	Very high	94.5	Very high	19 Å²	19	56.5 Å²	56.5	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-71.5	-27.3	179.4	-79.4	0	0	0	0	113.5	T73 L74 K92 I96	T73-C77 WeakPolarHBondContact O-CB 3.36Å; T73-C77 PolarHBondContact O-N 3.45Å; T73-C77 PolarHBondContact O-SG 3.35Å; T73-C77 VanDerWaalsContact O-SG 3.35Å; L74-C77 PolarHBondContact O-N 3.11Å; L74-C77 VanDerWaalsContact O-N 3.14Å; C77-K92 PolarHBondContact O-NZ 3.42Å; C77-I96 HydrophobicContact CB-CD1 3.68Å
78	F	92.9	Very high	94.4	Very high	32 Å²	32	63.3 Å²	63.3	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-105.8	-4	-178.6	-72.5	-79.9	0	0	0	114	L74 K76 V81 D85 L86 H89 K92 V93 I96	L74-F78 HydrophobicContact CD2-CD2 4.45Å; L74-F78 HydrophobicContact CD2-CE2 4.01Å; L74-F78 VanDerWaalsContact O-CD2 3.31Å; L74-F78 WeakPolarHBondContact O-CD2 3.22Å; L74-F78 PolarHBondContact O-N 2.9Å; K76-F78 VanDerWaalsContact C-N 3.35Å; F78-V81 HydrophobicContact CB-CB 3.84Å; F78-V81 HydrophobicContact CB-CG2 3.87Å; F78-V81 HydrophobicContact CD2-CB 4.49Å; F78-V81 HydrophobicContact CD2-CG2 3.83Å; F78-V81 HydrophobicContact CG-CB 4.49Å; F78-V81 HydrophobicContact CG-CG2 3.99Å; F78-D85 HydrophobicContact CD1-CB 3.97Å; F78-D85 HydrophobicContact CE1-CB 4.29Å; F78-D85 HydrophobicContact CG-CB 4.4Å; F78-L86 HydrophobicContact CE2-CD2 4.15Å; F78-H89 HydrophobicContact CE1-CB 3.73Å; F78-H89 HydrophobicContact CZ-CB 3.94Å; F78-K92 HydrophobicContact CE1-CD 3.85Å; F78-K92 HydrophobicContact CE2-CD 4.39Å; F78-K92 HydrophobicContact CZ-CB 4.12Å; F78-K92 HydrophobicContact CZ-CD 3.7Å; F78-K92 HydrophobicContact CZ-CG 3.97Å; F78-V93 HydrophobicContact CE2-CG2 4.16Å; F78-V93 HydrophobicContact CZ-CG2 4.18Å; F78-I96 HydrophobicContact CE2-CD1 4.23Å
79	E	91.3	Very high	94.3	Very high	167 Å²	167	65.1 Å²	65.1	78%	0.78	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	70.4	-179.3	-58.5	-178.4	171.3	0	0	112.3	D75	D75-E79 WeakPolarHBondContact O-CA 3.46Å; D75-E79 PolarHBondContact O-N 2.93Å
80	N	89.6	Confident	94.2	Very high	136 Å²	136	67 Å²	67	73%	0.727	34%	0.338	S	S	*	.	S	Bend	trans	78.4	69.2	-170.7	-54.4	118.7	0	0	0	113.2	D75	D75-N80 PolarHBondContact O-N 3.44Å; D75-N80 VanDerWaalsContact OD1-CA 3.22Å; D75-N80 WeakPolarHBondContact OD1-CA 3.4Å
81	V	93.2	Very high	94	Very high	37 Å²	37	72.1 Å²	72.1	22%	0.224	37%	0.366	C	S	.	.			trans	-63	138.7	-174.1	70.3	0	0	0	0	112	D75 F78 D85 L86	D75-V81 HydrophobicContact CB-CG1 3.94Å; D75-V81 PolarHBondContact OD1-N 3.49Å; F78-V81 HydrophobicContact CB-CB 3.84Å; F78-V81 HydrophobicContact CB-CG2 3.87Å; F78-V81 HydrophobicContact CD2-CB 4.49Å; F78-V81 HydrophobicContact CD2-CG2 3.83Å; F78-V81 HydrophobicContact CG-CB 4.49Å; F78-V81 HydrophobicContact CG-CG2 3.99Å; V81-D85 HydrophobicContact CG2-CB 4.3Å; V81-L86 HydrophobicContact CG2-CD2 3.7Å; V81-L86 HydrophobicContact CG2-CG 4.13Å
82	C	92.9	Very high	93.9	Very high	57 Å²	57	73.9 Å²	73.9	39%	0.385	37%	0.372	S	S	.	.			trans	-120.9	164.1	165.8	74.2	0	0	0	0	112	L84 D85 L86	C82-L84 PolarHBondContact O-N 3.44Å; C82-L84 VanDerWaalsContact O-N 3.12Å; C82-D85 PolarHBondContact N-OD2 3.31Å; C82-D85 WeakPolarHBondContact O-CB 3.32Å; C82-D85 PolarHBondContact O-N 3.44Å; C82-D85 VanDerWaalsContact SG-CG 3.52Å; C82-D85 PolarHBondContact SG-OD2 3.3Å; C82-L86 PolarHBondContact O-N 3.3Å
83	E	93.1	Very high	93.9	Very high	91 Å²	91	71.1 Å²	71.1	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-52.3	-34	177.6	64.3	-151.5	-139.7	0	0	113.7	T47 L48 L86 I87	T47-E83 WeakPolarHBondContact CB-OE2 3.46Å; T47-E83 WeakPolarHBondContact CG2-OE2 3.31Å; T47-E83 PolarHBondContact OG1-OE2 2.93Å; L48-E83 HydrophobicContact CD1-CB 4.07Å; L48-E83 HydrophobicContact CD2-CB 3.98Å; L48-E83 HydrophobicContact CG-CB 4.12Å; E83-L86 PolarHBondContact O-N 3.3Å; E83-I87 WeakPolarHBondContact O-CG1 3.3Å; E83-I87 PolarHBondContact O-N 2.93Å
84	L	93.6	Very high	93.8	Very high	90 Å²	90	76.6 Å²	76.6	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-70.6	-34.1	-178.8	-165.9	63.8	0	0	0	111.6	C82 L86 I87 F88	C82-L84 PolarHBondContact O-N 3.44Å; C82-L84 VanDerWaalsContact O-N 3.12Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-I87 PolarHBondContact O-N 3.49Å; L84-F88 HydrophobicContact CD1-CD2 3.89Å; L84-F88 HydrophobicContact CD1-CE2 3.34Å; L84-F88 HydrophobicContact CD1-CZ 4.09Å; L84-F88 HydrophobicContact CD2-CD2 4.39Å; L84-F88 HydrophobicContact CD2-CE2 3.84Å; L84-F88 HydrophobicContact CG-CD2 3.62Å; L84-F88 HydrophobicContact CG-CE2 3.37Å; L84-F88 VanDerWaalsContact O-CD2 3.24Å; L84-F88 WeakPolarHBondContact O-CD2 3.25Å; L84-F88 PolarHBondContact O-N 2.94Å
85	D	94.6	Very high	93.7	Very high	46 Å²	46	78.8 Å²	78.8	25%	0.246	40%	0.398	C	S	.	.	H	α-helix	trans	-64.5	-41.2	175.8	-59.3	-41.8	0	0	0	110.8	F78 V81 C82 I87 F88 H89	F78-D85 HydrophobicContact CD1-CB 3.97Å; F78-D85 HydrophobicContact CE1-CB 4.29Å; F78-D85 HydrophobicContact CG-CB 4.4Å; V81-D85 HydrophobicContact CG2-CB 4.3Å; C82-D85 PolarHBondContact N-OD2 3.31Å; C82-D85 WeakPolarHBondContact O-CB 3.32Å; C82-D85 PolarHBondContact O-N 3.44Å; C82-D85 VanDerWaalsContact SG-CG 3.52Å; C82-D85 PolarHBondContact SG-OD2 3.3Å; D85-I87 VanDerWaalsContact C-N 3.31Å; D85-I87 PolarHBondContact O-N 3.02Å; D85-F88 PolarHBondContact O-N 3.23Å; D85-H89 WeakPolarHBondContact O-CB 3.37Å; D85-H89 PolarHBondContact O-N 3.26Å
86	L	95	Very high	93.8	Very high	28 Å²	28	75.6 Å²	75.6	15%	0.147	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-35.9	177.5	-55.6	-175.6	0	0	0	111.9	L48 F50 L74 F78 V81 C82 E83 L84 V90 V93	L48-L86 HydrophobicContact CD1-CD1 3.54Å; F50-L86 HydrophobicContact CZ-CD1 4.29Å; L74-L86 HydrophobicContact CD1-CD2 4.14Å; L74-L86 HydrophobicContact CD2-CD2 4.12Å; F78-L86 HydrophobicContact CE2-CD2 4.15Å; V81-L86 HydrophobicContact CG2-CD2 3.7Å; V81-L86 HydrophobicContact CG2-CG 4.13Å; C82-L86 PolarHBondContact O-N 3.3Å; E83-L86 PolarHBondContact O-N 3.3Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L86-V90 PolarHBondContact O-N 3.4Å; L86-V93 HydrophobicContact CB-CG2 4.29Å; L86-V93 HydrophobicContact CD2-CG2 3.55Å
87	I	93.8	Very high	93.9	Very high	119 Å²	119	73.6 Å²	73.6	61%	0.61	38%	0.375	S	S	*	.	H	α-helix	trans	-69.6	-45.1	177.3	-67.6	166	0	0	0	111	E83 L84 D85	E83-I87 WeakPolarHBondContact O-CG1 3.3Å; E83-I87 PolarHBondContact O-N 2.93Å; L84-I87 PolarHBondContact O-N 3.49Å; D85-I87 VanDerWaalsContact C-N 3.31Å; D85-I87 PolarHBondContact O-N 3.02Å
88	F	94.7	Very high	94	Very high	143 Å²	143	74.1 Å²	74.1	63%	0.627	38%	0.381	S	S	*	.	H	α-helix	trans	-79.2	-23	-177.5	-74.8	-57.2	0	0	0	114	L84 D85	L84-F88 HydrophobicContact CD1-CD2 3.89Å; L84-F88 HydrophobicContact CD1-CE2 3.34Å; L84-F88 HydrophobicContact CD1-CZ 4.09Å; L84-F88 HydrophobicContact CD2-CD2 4.39Å; L84-F88 HydrophobicContact CD2-CE2 3.84Å; L84-F88 HydrophobicContact CG-CD2 3.62Å; L84-F88 HydrophobicContact CG-CE2 3.37Å; L84-F88 VanDerWaalsContact O-CD2 3.24Å; L84-F88 WeakPolarHBondContact O-CD2 3.25Å; L84-F88 PolarHBondContact O-N 2.94Å; D85-F88 PolarHBondContact O-N 3.23Å
89	H	93.6	Very high	94.1	Very high	98 Å²	98	74.9 Å²	74.9	45%	0.454	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	44.1	-176.7	-60.4	-60.7	0	0	0	112.5	F78 D85 D91 K92 V93	F78-H89 HydrophobicContact CE1-CB 3.73Å; F78-H89 HydrophobicContact CZ-CB 3.94Å; D85-H89 WeakPolarHBondContact O-CB 3.37Å; D85-H89 PolarHBondContact O-N 3.26Å; H89-D91 PolarHBondContact O-N 3Å; H89-K92 HydrophobicContact CB-CB 4.32Å; H89-K92 PolarHBondContact O-N 2.95Å; H89-V93 PolarHBondContact O-N 2.93Å; H89-V93 VanDerWaalsContact O-N 3.16Å
90	V	94.9	Very high	94.3	Very high	68 Å²	68	67 Å²	67	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-34.3	-179.4	74.5	0	0	0	0	112.8	L86 K92 V93 H94	L86-V90 PolarHBondContact O-N 3.4Å; V90-K92 VanDerWaalsContact C-N 3.35Å; V90-K92 PolarHBondContact O-N 3.31Å; V90-V93 WeakPolarHBondContact O-CB 3.47Å; V90-V93 PolarHBondContact O-N 3.12Å; V90-H94 PolarHBondContact O-CD2 3.28Å; V90-H94 PolarHBondContact O-N 2.92Å
91	D	93.5	Very high	94.6	Very high	119 Å²	119	62.1 Å²	62.1	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-60.9	-44.3	176.7	-57.5	-56.7	0	0	0	111.4	H89 V93 H94 N95	H89-D91 PolarHBondContact O-N 3Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 2.96Å; D91-H94 PolarHBondContact O-N 2.92Å; D91-N95 VanDerWaalsContact O-CG 3.28Å; D91-N95 PolarHBondContact O-N 3.32Å; D91-N95 PolarHBondContact O-OD1 3.15Å
92	K	93.3	Very high	94.7	Very high	55 Å²	55	65.7 Å²	65.7	24%	0.239	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-38.1	177.2	-176.2	174.5	172.5	-169.1	0	111.3	C77 F78 H89 V90 N95 I96	C77-K92 PolarHBondContact O-NZ 3.42Å; F78-K92 HydrophobicContact CE1-CD 3.85Å; F78-K92 HydrophobicContact CE2-CD 4.39Å; F78-K92 HydrophobicContact CZ-CB 4.12Å; F78-K92 HydrophobicContact CZ-CD 3.7Å; F78-K92 HydrophobicContact CZ-CG 3.97Å; H89-K92 HydrophobicContact CB-CB 4.32Å; H89-K92 PolarHBondContact O-N 2.95Å; V90-K92 VanDerWaalsContact C-N 3.35Å; V90-K92 PolarHBondContact O-N 3.31Å; K92-N95 PolarHBondContact O-N 3.02Å; K92-I96 HydrophobicContact CG-CD1 4.11Å; K92-I96 VanDerWaalsContact O-CG1 3.27Å; K92-I96 WeakPolarHBondContact O-CG1 3.31Å; K92-I96 PolarHBondContact O-N 3.21Å
93	V	95.9	Very high	94.6	Very high	22 Å²	22	67.2 Å²	67.2	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-43.5	174.9	179.5	0	0	0	0	110.8	F70 L74 F78 L86 H89 V90 D91 I96 L97	F70-V93 HydrophobicContact CZ-CG1 4.02Å; L74-V93 HydrophobicContact CD2-CB 4.49Å; L74-V93 HydrophobicContact CD2-CG1 4.16Å; L74-V93 HydrophobicContact CD2-CG2 4.17Å; F78-V93 HydrophobicContact CE2-CG2 4.16Å; F78-V93 HydrophobicContact CZ-CG2 4.18Å; L86-V93 HydrophobicContact CB-CG2 4.29Å; L86-V93 HydrophobicContact CD2-CG2 3.55Å; H89-V93 PolarHBondContact O-N 2.93Å; H89-V93 VanDerWaalsContact O-N 3.16Å; V90-V93 WeakPolarHBondContact O-CB 3.47Å; V90-V93 PolarHBondContact O-N 3.12Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 2.96Å; V93-I96 PolarHBondContact O-N 2.94Å; V93-L97 WeakPolarHBondContact O-CB 3.24Å; V93-L97 PolarHBondContact O-N 3.26Å
94	H	95.2	Very high	94.5	Very high	114 Å²	114	66.3 Å²	66.3	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-41.1	175.5	-79	-59.5	0	0	0	112.5	V90 D91 L97 A98	V90-H94 PolarHBondContact O-CD2 3.28Å; V90-H94 PolarHBondContact O-N 2.92Å; D91-H94 PolarHBondContact O-N 2.92Å; H94-L97 PolarHBondContact O-N 3.01Å; H94-A98 WeakPolarHBondContact O-CB 3.41Å; H94-A98 PolarHBondContact O-N 3.26Å
95	N	94.8	Very high	94.4	Very high	49 Å²	49	68.6 Å²	68.6	26%	0.262	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-45.9	175.7	-67.6	-9.5	0	0	0	111.2	D91 K92 L97 A98 E99 I118	D91-N95 VanDerWaalsContact O-CG 3.28Å; D91-N95 PolarHBondContact O-N 3.32Å; D91-N95 PolarHBondContact O-OD1 3.15Å; K92-N95 PolarHBondContact O-N 3.02Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.29Å; N95-A98 PolarHBondContact O-N 2.96Å; N95-E99 PolarHBondContact O-N 3.4Å; N95-E99 VanDerWaalsContact O-N 3.1Å; N95-I118 HydrophobicContact CB-CD1 3.95Å
96	I	95.9	Very high	94.4	Very high	0 Å²	0	70 Å²	70	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-45.9	175.9	-66.9	163.4	0	0	0	110.7	F70 T73 L74 C77 F78 K92 V93 A98 E99 M100 I114 I118	F70-I96 HydrophobicContact CD2-CG2 4.25Å; F70-I96 HydrophobicContact CE2-CG2 4.05Å; T73-I96 HydrophobicContact CG2-CG2 3.73Å; L74-I96 HydrophobicContact CD2-CD1 3.81Å; L74-I96 HydrophobicContact CD2-CG2 4.34Å; C77-I96 HydrophobicContact CB-CD1 3.68Å; F78-I96 HydrophobicContact CE2-CD1 4.23Å; K92-I96 HydrophobicContact CG-CD1 4.11Å; K92-I96 VanDerWaalsContact O-CG1 3.27Å; K92-I96 WeakPolarHBondContact O-CG1 3.31Å; K92-I96 PolarHBondContact O-N 3.21Å; V93-I96 PolarHBondContact O-N 2.94Å; I96-A98 VanDerWaalsContact C-N 3.3Å; I96-A98 PolarHBondContact O-N 3.31Å; I96-E99 PolarHBondContact O-N 2.97Å; I96-M100 PolarHBondContact O-N 3.48Å; I96-I114 HydrophobicContact CG2-CG2 4.41Å; I96-I118 HydrophobicContact CB-CD1 4.49Å; I96-I118 HydrophobicContact CG1-CD1 3.97Å; I96-I118 HydrophobicContact CG1-CG1 3.95Å; I96-I118 HydrophobicContact CG1-CG2 4.33Å
97	L	96.3	Very high	94.5	Very high	55 Å²	55	73.7 Å²	73.7	29%	0.288	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-36.8	178.2	-177.3	62	0	0	0	111.9	F52 F70 V93 H94 N95 M100 V101	F52-L97 HydrophobicContact CZ-CD1 4.3Å; F70-L97 HydrophobicContact CD2-CD1 4.48Å; F70-L97 HydrophobicContact CE2-CB 4.04Å; F70-L97 HydrophobicContact CE2-CD1 4.22Å; F70-L97 HydrophobicContact CZ-CB 4.23Å; F70-L97 HydrophobicContact CZ-CD1 4.27Å; V93-L97 WeakPolarHBondContact O-CB 3.24Å; V93-L97 PolarHBondContact O-N 3.26Å; H94-L97 PolarHBondContact O-N 3.01Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.29Å; L97-M100 PolarHBondContact O-N 2.96Å; L97-M100 VanDerWaalsContact O-N 3.13Å; L97-V101 PolarHBondContact O-N 3.21Å
98	A	95.5	Very high	94.6	Very high	31 Å²	31	71.2 Å²	71.2	26%	0.256	40%	0.404	S	S	.	.	H	α-helix	trans	-67.2	-33.3	178.5	0	0	0	0	0	112.8	H94 N95 I96 M100 M102	H94-A98 WeakPolarHBondContact O-CB 3.41Å; H94-A98 PolarHBondContact O-N 3.26Å; N95-A98 PolarHBondContact O-N 2.96Å; I96-A98 VanDerWaalsContact C-N 3.3Å; I96-A98 PolarHBondContact O-N 3.31Å; A98-M100 PolarHBondContact O-N 3.36Å; A98-M102 HydrophobicContact CB-CG 4.47Å; A98-M102 HydrophobicContact CB-SD 4.22Å; A98-M102 WeakPolarHBondContact O-CG 3.42Å
99	E	95.6	Very high	94.6	Very high	48 Å²	48	68.3 Å²	68.3	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-66.7	-29.6	171.7	-67.7	-57.1	126.1	0	0	112.1	N95 I96 I114 Q117 I118 Q121	N95-E99 PolarHBondContact O-N 3.4Å; N95-E99 VanDerWaalsContact O-N 3.1Å; I96-E99 PolarHBondContact O-N 2.97Å; E99-I114 HydrophobicContact CB-CG2 3.93Å; E99-Q117 HydrophobicContact CG-CB 4.44Å; E99-Q117 WeakPolarHBondContact OE2-CB 3.35Å; E99-I118 HydrophobicContact CG-CD1 3.65Å; E99-I118 HydrophobicContact CG-CG1 4.11Å; E99-Q121 PolarHBondContact OE1-NE2 2.7Å
100	M	96.3	Very high	94.7	Very high	1 Å²	1	67 Å²	67	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-85.4	-45.1	-179.5	-67.7	-174.2	62.6	0	0	113.3	L66 V69 F70 I96 L97 A98 V106 L107 I114	L66-M100 HydrophobicContact CD1-CE 3.6Å; L66-M100 HydrophobicContact CG-CE 4.44Å; V69-M100 HydrophobicContact CB-CE 4.1Å; V69-M100 HydrophobicContact CG1-CE 3.69Å; F70-M100 HydrophobicContact CB-CE 3.78Å; F70-M100 HydrophobicContact CB-SD 3.85Å; F70-M100 HydrophobicContact CD2-SD 3.64Å; F70-M100 HydrophobicContact CG-SD 4.19Å; I96-M100 PolarHBondContact O-N 3.48Å; L97-M100 PolarHBondContact O-N 2.96Å; L97-M100 VanDerWaalsContact O-N 3.13Å; A98-M100 PolarHBondContact O-N 3.36Å; M100-V106 CarbonylContact O-C 3.51Å; M100-V106 WeakPolarHBondContact O-CA 3.44Å; M100-L107 PolarHBondContact O-N 3.04Å; M100-I114 HydrophobicContact CG-CD1 3.56Å; M100-I114 HydrophobicContact CG-CG1 4.26Å; M100-I114 HydrophobicContact CG-CG2 4.49Å; M100-I114 HydrophobicContact SD-CD1 4.14Å
101	V	95.9	Very high	94.7	Very high	34 Å²	34	66.5 Å²	66.5	21%	0.206	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	123.8	-172.1	-177.7	0	0	0	0	110.3	L66 L97 M105 V106	L66-V101 HydrophobicContact CD2-CG2 4.05Å; L97-V101 PolarHBondContact O-N 3.21Å; V101-M105 VanDerWaalsContact CA-O 3.3Å; V101-M105 WeakPolarHBondContact CA-O 3.42Å; V101-V106 HydrophobicContact CG2-CG2 4.36Å
102	M	94.3	Very high	94.8	Very high	112 Å²	112	65.2 Å²	65.2	55%	0.552	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.7	174.8	-75.5	-109.5	-84.3	0	0	110.6	A98 G104 M105 L107	A98-M102 HydrophobicContact CB-CG 4.47Å; A98-M102 HydrophobicContact CB-SD 4.22Å; A98-M102 WeakPolarHBondContact O-CG 3.42Å; M102-G104 PolarHBondContact O-N 3.39Å; M102-G104 VanDerWaalsContact O-N 3.14Å; M102-M105 PolarHBondContact N-O 3.05Å; M102-M105 PolarHBondContact O-N 3.29Å; M102-L107 HydrophobicContact CB-CD1 3.7Å; M102-L107 HydrophobicContact CB-CG 4.29Å; M102-L107 HydrophobicContact CG-CD1 3.76Å
103	G	92	Very high	94.9	Very high	89 Å²	89	67 Å²	67	92%	0.918	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	23	179.6	0	0	0	0	0	114.2	M105	G103-M105 VanDerWaalsContact C-N 3.3Å
104	G	89.3	Confident	94.9	Very high	72 Å²	72	66 Å²	66	74%	0.742	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	4.1	-175.6	0	0	0	0	0	114.6	M102	M102-G104 PolarHBondContact O-N 3.39Å; M102-G104 VanDerWaalsContact O-N 3.14Å
105	M	92.6	Very high	94.8	Very high	138 Å²	138	61.5 Å²	61.5	68%	0.68	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.3	176.2	-59.5	-173.1	74.3	0	0	110.6	V101 M102 G103	V101-M105 VanDerWaalsContact CA-O 3.3Å; V101-M105 WeakPolarHBondContact CA-O 3.42Å; M102-M105 PolarHBondContact N-O 3.05Å; M102-M105 PolarHBondContact O-N 3.29Å; G103-M105 VanDerWaalsContact C-N 3.3Å
106	V	94.9	Very high	94.8	Very high	74 Å²	74	62.9 Å²	62.9	45%	0.448	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.8	170.5	-175.8	0	0	0	0	108.6	L66 M100 V101 T109	L66-V106 HydrophobicContact CD1-CG1 4.05Å; L66-V106 HydrophobicContact CD1-CG2 4.47Å; L66-V106 HydrophobicContact CD2-CG2 3.74Å; M100-V106 CarbonylContact O-C 3.51Å; M100-V106 WeakPolarHBondContact O-CA 3.44Å; V101-V106 HydrophobicContact CG2-CG2 4.36Å; V106-T109 HydrophobicContact CG1-CG2 3.66Å
107	L	95.9	Very high	94.8	Very high	107 Å²	107	67 Å²	67	56%	0.56	40%	0.395	S	S	*	.			trans	-98.2	-49.1	-178.9	-64.1	-175.7	0	0	0	111.8	M100 M102	M100-L107 PolarHBondContact O-N 3.04Å; M102-L107 HydrophobicContact CB-CD1 3.7Å; M102-L107 HydrophobicContact CB-CG 4.29Å; M102-L107 HydrophobicContact CG-CD1 3.76Å
108	E	95.9	Very high	94.6	Very high	66 Å²	66	64.5 Å²	64.5	31%	0.308	38%	0.381	S	S	.	.			trans	-140.3	138.7	-174.9	-173.8	55.9	-94.8	0	0	110.6	N110 E113 I114	E108-N110 VanDerWaalsContact OE1-CB 3.24Å; E108-N110 WeakPolarHBondContact OE1-CB 3.39Å; E108-N110 PolarHBondContact OE1-N 2.77Å; E108-E113 HydrophobicContact CG-CB 4.13Å; E108-I114 HydrophobicContact CB-CD1 4.49Å; E108-I114 HydrophobicContact CB-CG1 4.05Å; E108-I114 HydrophobicContact CG-CD1 4.14Å; E108-I114 HydrophobicContact CG-CG1 3.58Å
109	T	96	Very high	94.5	Very high	82 Å²	82	66.9 Å²	66.9	50%	0.503	39%	0.39	S	S	.	.			trans	-123.3	-9.5	177.5	57.9	0	0	0	0	112.1	L66 V69 V106 M111	L66-T109 HydrophobicContact CD1-CG2 4.37Å; V69-T109 VanDerWaalsContact CG1-O 3.29Å; V69-T109 WeakPolarHBondContact CG1-O 3.41Å; V106-T109 HydrophobicContact CG1-CG2 3.66Å; T109-M111 PolarHBondContact O-N 2.86Å
110	N	95.5	Very high	94.3	Very high	71 Å²	71	66.5 Å²	66.5	38%	0.38	40%	0.395	S	S	.	.			trans	-80.7	107.2	175.9	-171.9	-28.9	0	0	0	110.4	E108 N112 E113 I114	E108-N110 VanDerWaalsContact OE1-CB 3.24Å; E108-N110 WeakPolarHBondContact OE1-CB 3.39Å; E108-N110 PolarHBondContact OE1-N 2.77Å; N110-N112 PolarHBondContact O-N 2.89Å; N110-N112 VanDerWaalsContact O-N 3.09Å; N110-N112 WeakPolarHBondContact OD1-CB 3Å; N110-N112 PolarHBondContact OD1-N 2.81Å; N110-E113 HydrophobicContact CB-CB 4.26Å; N110-E113 HydrophobicContact CB-CG 4.12Å; N110-E113 PolarHBondContact O-N 3.12Å; N110-E113 VanDerWaalsContact O-N 3.08Å; N110-I114 WeakPolarHBondContact O-CG1 3.18Å; N110-I114 PolarHBondContact O-N 3.31Å; N110-I114 VanDerWaalsContact O-N 3.09Å
111	M	95.1	Very high	94	Very high	57 Å²	57	69.1 Å²	69.1	28%	0.281	41%	0.407	S	S	.	.	H	α-helix	trans	-52.3	-34.4	178.8	-60.9	-174.3	-95.7	0	0	113.8	V69 E72 T73 T109 V115	V69-M111 HydrophobicContact CG1-CG 4.03Å; E72-M111 HydrophobicContact CB-SD 3.53Å; E72-M111 VanDerWaalsContact CB-SD 3.53Å; E72-M111 WeakPolarHBondContact OE2-CE 3.28Å; T73-M111 WeakPolarHBondContact OG1-CG 3.39Å; T109-M111 PolarHBondContact O-N 2.86Å; M111-V115 WeakPolarHBondContact O-CB 3.2Å; M111-V115 WeakPolarHBondContact O-CG2 3.29Å; M111-V115 PolarHBondContact O-N 3.03Å
112	N	94.6	Very high	93.6	Very high	92 Å²	92	69.1 Å²	69.1	49%	0.492	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-39	-178.5	-63.5	-46	0	0	0	111.9	K76 N110 T116	K76-N112 PolarHBondContact NZ-OD1 3.03Å; N110-N112 PolarHBondContact O-N 2.89Å; N110-N112 VanDerWaalsContact O-N 3.09Å; N110-N112 WeakPolarHBondContact OD1-CB 3Å; N110-N112 PolarHBondContact OD1-N 2.81Å; N112-T116 WeakPolarHBondContact O-CB 3.41Å; N112-T116 PolarHBondContact O-N 3.22Å; N112-T116 PolarHBondContact O-OG1 3.19Å
113	E	95.8	Very high	93.3	Very high	92 Å²	92	70.9 Å²	70.9	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-46.6	176	-68.1	-65	164	0	0	109.9	E108 N110 V115 T116 Q117	E108-E113 HydrophobicContact CG-CB 4.13Å; N110-E113 HydrophobicContact CB-CB 4.26Å; N110-E113 HydrophobicContact CB-CG 4.12Å; N110-E113 PolarHBondContact O-N 3.12Å; N110-E113 VanDerWaalsContact O-N 3.08Å; E113-V115 PolarHBondContact O-N 3.47Å; E113-T116 WeakPolarHBondContact O-CB 3.18Å; E113-T116 PolarHBondContact O-N 3.11Å; E113-T116 VanDerWaalsContact O-N 3.12Å; E113-Q117 WeakPolarHBondContact O-CG 3.39Å; E113-Q117 PolarHBondContact O-N 3.39Å
114	I	95.2	Very high	93.1	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-57	-52.2	178.1	-61.2	158.1	0	0	0	110.8	T73 I96 E99 M100 E108 N110 T116 Q117 I118	T73-I114 HydrophobicContact CG2-CB 4.25Å; T73-I114 HydrophobicContact CG2-CG2 3.71Å; I96-I114 HydrophobicContact CG2-CG2 4.41Å; E99-I114 HydrophobicContact CB-CG2 3.93Å; M100-I114 HydrophobicContact CG-CD1 3.56Å; M100-I114 HydrophobicContact CG-CG1 4.26Å; M100-I114 HydrophobicContact CG-CG2 4.49Å; M100-I114 HydrophobicContact SD-CD1 4.14Å; E108-I114 HydrophobicContact CB-CD1 4.49Å; E108-I114 HydrophobicContact CB-CG1 4.05Å; E108-I114 HydrophobicContact CG-CD1 4.14Å; E108-I114 HydrophobicContact CG-CG1 3.58Å; N110-I114 WeakPolarHBondContact O-CG1 3.18Å; N110-I114 PolarHBondContact O-N 3.31Å; N110-I114 VanDerWaalsContact O-N 3.09Å; I114-T116 VanDerWaalsContact C-N 3.26Å; I114-T116 PolarHBondContact O-N 3.12Å; I114-Q117 PolarHBondContact O-N 2.92Å; I114-I118 HydrophobicContact CG2-CG1 4.3Å; I114-I118 VanDerWaalsContact O-CG1 3.28Å; I114-I118 WeakPolarHBondContact O-CG1 3.48Å; I114-I118 PolarHBondContact O-N 2.72Å
115	V	94.3	Very high	92.8	Very high	20 Å²	20	73.1 Å²	73.1	12%	0.121	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-39.8	178.9	172.7	0	0	0	0	111.3	T73 K76 M111 E113 I118 D119	T73-V115 HydrophobicContact CG2-CG2 4.33Å; K76-V115 HydrophobicContact CD-CG2 4.06Å; K76-V115 HydrophobicContact CG-CG2 4.25Å; M111-V115 WeakPolarHBondContact O-CB 3.2Å; M111-V115 WeakPolarHBondContact O-CG2 3.29Å; M111-V115 PolarHBondContact O-N 3.03Å; E113-V115 PolarHBondContact O-N 3.47Å; V115-I118 PolarHBondContact O-N 3.41Å; V115-D119 WeakPolarHBondContact O-CB 3.33Å; V115-D119 PolarHBondContact O-N 2.94Å
116	T	95.2	Very high	92.2	Very high	79 Å²	79	74.1 Å²	74.1	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-43.2	178.5	-60.1	0	0	0	0	111.8	N112 E113 I114 D119 A120	N112-T116 WeakPolarHBondContact O-CB 3.41Å; N112-T116 PolarHBondContact O-N 3.22Å; N112-T116 PolarHBondContact O-OG1 3.19Å; E113-T116 WeakPolarHBondContact O-CB 3.18Å; E113-T116 PolarHBondContact O-N 3.11Å; E113-T116 VanDerWaalsContact O-N 3.12Å; I114-T116 VanDerWaalsContact C-N 3.26Å; I114-T116 PolarHBondContact O-N 3.12Å; T116-D119 PolarHBondContact O-N 3.46Å; T116-A120 PolarHBondContact O-N 3.45Å
117	Q	94.1	Very high	91.4	Very high	86 Å²	86	73.4 Å²	73.4	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-43.1	177.3	-63.7	-50.8	-35.6	0	0	111.7	E99 E113 I114 D119 A120 Q121	E99-Q117 HydrophobicContact CG-CB 4.44Å; E99-Q117 WeakPolarHBondContact OE2-CB 3.35Å; E113-Q117 WeakPolarHBondContact O-CG 3.39Å; E113-Q117 PolarHBondContact O-N 3.39Å; I114-Q117 PolarHBondContact O-N 2.92Å; Q117-D119 VanDerWaalsContact C-N 3.32Å; Q117-D119 PolarHBondContact O-N 3.23Å; Q117-A120 WeakPolarHBondContact O-CB 3.38Å; Q117-A120 PolarHBondContact O-N 2.59Å; Q117-A120 VanDerWaalsContact O-N 3.13Å; Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; Q117-Q121 PolarHBondContact O-N 3.02Å
118	I	93.3	Very high	90.3	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-61.4	-41.4	176.6	-65.6	-65.3	0	0	0	111.3	N95 I96 E99 I114 V115 A120 Q121 N122	N95-I118 HydrophobicContact CB-CD1 3.95Å; I96-I118 HydrophobicContact CB-CD1 4.49Å; I96-I118 HydrophobicContact CG1-CD1 3.97Å; I96-I118 HydrophobicContact CG1-CG1 3.95Å; I96-I118 HydrophobicContact CG1-CG2 4.33Å; E99-I118 HydrophobicContact CG-CD1 3.65Å; E99-I118 HydrophobicContact CG-CG1 4.11Å; I114-I118 HydrophobicContact CG2-CG1 4.3Å; I114-I118 VanDerWaalsContact O-CG1 3.28Å; I114-I118 WeakPolarHBondContact O-CG1 3.48Å; I114-I118 PolarHBondContact O-N 2.72Å; V115-I118 PolarHBondContact O-N 3.41Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 2.94Å; I118-Q121 PolarHBondContact O-N 3.45Å; I118-N122 WeakPolarHBondContact O-CB 3.42Å; I118-N122 PolarHBondContact O-N 3.42Å; I118-N122 PolarHBondContact O-ND2 3.42Å; I118-N122 VanDerWaalsContact O-ND2 3.1Å
119	D	92	Very high	88.7	Confident	81 Å²	81	75.1 Å²	75.1	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-35.2	175.2	-80.2	-17.2	0	0	0	112.9	V115 T116 Q117 K123	V115-D119 WeakPolarHBondContact O-CB 3.33Å; V115-D119 PolarHBondContact O-N 2.94Å; T116-D119 PolarHBondContact O-N 3.46Å; Q117-D119 VanDerWaalsContact C-N 3.32Å; Q117-D119 PolarHBondContact O-N 3.23Å; D119-K123 VanDerWaalsContact O-CG 3.28Å; D119-K123 WeakPolarHBondContact O-CG 3.11Å; D119-K123 PolarHBondContact O-N 3Å; D119-K123 VanDerWaalsContact O-N 3.13Å
120	A	91.9	Very high	86.7	Confident	40 Å²	40	73.4 Å²	73.4	33%	0.331	40%	0.395	S	S	.	.	H	α-helix	trans	-65.3	-44.9	173.6	0	0	0	0	0	111.2	T116 Q117 I118 K123 L124	T116-A120 PolarHBondContact O-N 3.45Å; Q117-A120 WeakPolarHBondContact O-CB 3.38Å; Q117-A120 PolarHBondContact O-N 2.59Å; Q117-A120 VanDerWaalsContact O-N 3.13Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 2.94Å; A120-K123 WeakPolarHBondContact O-CB 3.3Å; A120-K123 PolarHBondContact O-N 3.33Å; A120-L124 WeakPolarHBondContact O-CG 3.26Å; A120-L124 PolarHBondContact O-N 3.13Å; A120-L124 VanDerWaalsContact O-N 3.09Å
121	Q	89.6	Confident	84.7	Confident	57 Å²	57	76.7 Å²	76.7	27%	0.266	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-48.3	175.5	-69.7	174	15.2	0	0	111.5	E99 Q117 I118 K123 L124 E125	E99-Q121 PolarHBondContact OE1-NE2 2.7Å; Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; Q117-Q121 PolarHBondContact O-N 3.02Å; I118-Q121 PolarHBondContact O-N 3.45Å; Q121-K123 PolarHBondContact O-N 2.94Å; Q121-L124 PolarHBondContact O-N 3.48Å; Q121-E125 WeakPolarHBondContact O-CG 3.17Å; Q121-E125 PolarHBondContact O-N 3.17Å
122	N	87.7	Confident	82.6	Confident	33 Å²	33	78.4 Å²	78.4	18%	0.176	44%	0.435	C	S	.	.	H	α-helix	trans	-57.4	-34.4	176.8	-72.1	-33.7	0	0	0	112.8	I118 K126	I118-N122 WeakPolarHBondContact O-CB 3.42Å; I118-N122 PolarHBondContact O-N 3.42Å; I118-N122 PolarHBondContact O-ND2 3.42Å; I118-N122 VanDerWaalsContact O-ND2 3.1Å; N122-K126 WeakPolarHBondContact O-CD 3.09Å; N122-K126 VanDerWaalsContact O-CG 3.23Å; N122-K126 WeakPolarHBondContact O-CG 3.43Å; N122-K126 PolarHBondContact O-N 3.2Å
123	K	89.3	Confident	80.4	Confident	149 Å²	149	77 Å²	77	65%	0.648	44%	0.442	S	S	*	.	H	α-helix	trans	-71.3	-40.5	176	-75.5	168.5	-175.1	168.6	0	111.8	D119 A120 Q121 S127	D119-K123 VanDerWaalsContact O-CG 3.28Å; D119-K123 WeakPolarHBondContact O-CG 3.11Å; D119-K123 PolarHBondContact O-N 3Å; D119-K123 VanDerWaalsContact O-N 3.13Å; A120-K123 WeakPolarHBondContact O-CB 3.3Å; A120-K123 PolarHBondContact O-N 3.33Å; Q121-K123 PolarHBondContact O-N 2.94Å; K123-S127 WeakPolarHBondContact O-CB 3.32Å; K123-S127 PolarHBondContact O-N 2.79Å
124	L	86.9	Confident	78.2	Confident	109 Å²	109	74.4 Å²	74.4	57%	0.571	44%	0.436	S	S	*	.	H	α-helix	trans	-65.3	-47.9	178.1	-69.7	171.2	0	0	0	110.9	A120 Q121 K126 S127 E128	A120-L124 WeakPolarHBondContact O-CG 3.26Å; A120-L124 PolarHBondContact O-N 3.13Å; A120-L124 VanDerWaalsContact O-N 3.09Å; Q121-L124 PolarHBondContact O-N 3.48Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-K126 PolarHBondContact O-N 3.07Å; L124-S127 WeakPolarHBondContact CA-OG 3.15Å; L124-S127 WeakPolarHBondContact O-CA 3.44Å; L124-S127 WeakPolarHBondContact O-CB 3.44Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-S127 PolarHBondContact O-OG 3.33Å; L124-E128 PolarHBondContact O-N 2.94Å
125	E	83.3	Confident	76	Confident	100 Å²	100	78.9 Å²	78.9	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-56.2	-43.8	176.9	-70.6	177.6	174.6	0	0	112	Q121 S127 E128 A129	Q121-E125 WeakPolarHBondContact O-CG 3.17Å; Q121-E125 PolarHBondContact O-N 3.17Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 2.87Å; E125-E128 PolarHBondContact O-N 2.91Å; E125-A129 WeakPolarHBondContact O-CB 3.43Å; E125-A129 PolarHBondContact O-N 3.36Å
126	K	80.4	Confident	74.1	Confident	158 Å²	158	81.8 Å²	81.8	69%	0.687	49%	0.492	S	S	*	.	H	α-helix	trans	-64.1	-37.3	175.4	-73.3	172.2	-174.3	175.7	0	112.4	N122 L124 G130	N122-K126 WeakPolarHBondContact O-CD 3.09Å; N122-K126 VanDerWaalsContact O-CG 3.23Å; N122-K126 WeakPolarHBondContact O-CG 3.43Å; N122-K126 PolarHBondContact O-N 3.2Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-K126 PolarHBondContact O-N 3.07Å; K126-G130 PolarHBondContact O-N 2.76Å
127	S	78.3	Confident	71.9	Confident	60 Å²	60	88.5 Å²	88.5	42%	0.42	51%	0.508	S	S	.	.	H	α-helix	trans	-69	-37.6	178.9	75.9	0	0	0	0	112.3	K123 L124 E125 G130 L131	K123-S127 WeakPolarHBondContact O-CB 3.32Å; K123-S127 PolarHBondContact O-N 2.79Å; L124-S127 WeakPolarHBondContact CA-OG 3.15Å; L124-S127 WeakPolarHBondContact O-CA 3.44Å; L124-S127 WeakPolarHBondContact O-CB 3.44Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-S127 PolarHBondContact O-OG 3.33Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 2.87Å; S127-G130 PolarHBondContact O-N 3.06Å; S127-L131 WeakPolarHBondContact O-CD1 3.41Å; S127-L131 PolarHBondContact O-N 2.86Å
128	E	72.4	Confident	69.9	Low	143 Å²	143	86.7 Å²	86.7	67%	0.668	51%	0.508	S	S	*	.	H	α-helix	trans	-72.2	-40.6	176.6	-67.5	-170.1	131.9	0	0	111.7	L124 E125 G130 L131 A132	L124-E128 PolarHBondContact O-N 2.94Å; E125-E128 PolarHBondContact O-N 2.91Å; E128-G130 PolarHBondContact O-N 2.96Å; E128-L131 PolarHBondContact O-N 2.88Å; E128-L131 VanDerWaalsContact O-N 3.13Å; E128-A132 PolarHBondContact O-N 2.89Å
129	A	61.5	Low	67.9	Low	65 Å²	65	90.9 Å²	90.9	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-34.2	171.9	0	0	0	0	0	112.3	E125 L131 A132 G133	E125-A129 WeakPolarHBondContact O-CB 3.43Å; E125-A129 PolarHBondContact O-N 3.36Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 2.51Å; A129-A132 PolarHBondContact O-N 2.67Å; A129-G133 PolarHBondContact O-N 3.2Å; A129-G133 VanDerWaalsContact O-N 3.15Å
130	G	54.3	Low	66	Low	47 Å²	47	90.3 Å²	90.3	49%	0.485	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-28.8	174.9	0	0	0	0	0	114.4	K126 S127 E128	K126-G130 PolarHBondContact O-N 2.76Å; S127-G130 PolarHBondContact O-N 3.06Å; E128-G130 PolarHBondContact O-N 2.96Å
131	L	52.6	Low	64	Low	139 Å²	139	91.1 Å²	91.1	73%	0.728	54%	0.543	S	S	*	.	H	α-helix	trans	-76.1	-34.1	174.1	-96.5	81.9	0	0	0	112.4	S127 E128 A129	S127-L131 WeakPolarHBondContact O-CD1 3.41Å; S127-L131 PolarHBondContact O-N 2.86Å; E128-L131 PolarHBondContact O-N 2.88Å; E128-L131 VanDerWaalsContact O-N 3.13Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 2.51Å
132	A	52.6	Low	62.2	Low	94 Å²	94	92.6 Å²	92.6	78%	0.777	56%	0.555	S	S	*	*	H	α-helix	trans	-75.2	-26.4	177.7	0	0	0	0	0	113.2	E128 A129	E128-A132 PolarHBondContact O-N 2.89Å; A129-A132 PolarHBondContact O-N 2.67Å
133	G	47.8	Very low	60.5	Low	62 Å²	62	99.9 Å²	99.9	64%	0.639	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-3	178.8	0	0	0	0	0	115.4	A129 P135	A129-G133 PolarHBondContact O-N 3.2Å; A129-G133 VanDerWaalsContact O-N 3.15Å; G133-P135 WeakPolarHBondContact O-CD 3.4Å
134	A	49	Very low	58.6	Low	37 Å²	37	99.6 Å²	99.6	31%	0.306	59%	0.591	S	S	.	*	S	Bend	trans	-68.5	122.5	-179.5	0	0	0	0	0	110	A136 A138	A134-A136 PolarHBondContact O-N 2.75Å; A134-A138 HydrophobicContact CB-CB 4.18Å
135	P	50	Low	56.8	Low	96 Å²	96	100 Å²	100	62%	0.623	59%	0.592	S	S	*	*			trans	-56.6	139.6	174.1	22.8	-31.1	0	0	0	108.4	G133 R137 A138	G133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-R137 CarbonylContact O-C 3.41Å; P135-R137 PolarHBondContact O-N 3.1Å; P135-A138 PolarHBondContact O-N 3.38Å
136	A	53.7	Low	55.2	Low	81 Å²	81	103.2 Å²	103.2	67%	0.669	61%	0.612	S	S	*	*	H	α-helix	trans	-47.9	-19.5	-174.4	0	0	0	0	0	115.3	A134 S140	A134-A136 PolarHBondContact O-N 2.75Å; A136-S140 PolarHBondContact O-N 3.08Å; A136-S140 PolarHBondContact O-OG 3.01Å
137	R	49.2	Very low	53.8	Low	219 Å²	219	101.5 Å²	101.5	83%	0.826	61%	0.609	S	S	*	*	H	α-helix	trans	-64.7	-35.9	171.3	-69.9	-175.8	168.1	-176	-3.7	114.4	P135 S140 A141	P135-R137 CarbonylContact O-C 3.41Å; P135-R137 PolarHBondContact O-N 3.1Å; R137-S140 WeakPolarHBondContact O-CB 3.38Å; R137-S140 PolarHBondContact O-N 3.33Å; R137-A141 PolarHBondContact O-N 3.44Å
138	A	52.2	Low	52.3	Low	49 Å²	49	104 Å²	104	41%	0.405	63%	0.625	S	S	.	*	H	α-helix	trans	-71.3	-36.8	177.5	0	0	0	0	0	111.8	A134 P135 S140 A141 V142	A134-A138 HydrophobicContact CB-CB 4.18Å; P135-A138 PolarHBondContact O-N 3.38Å; A138-S140 VanDerWaalsContact C-N 3.26Å; A138-S140 PolarHBondContact O-N 3.45Å; A138-A141 WeakPolarHBondContact O-CB 3.45Å; A138-A141 PolarHBondContact O-N 3.04Å; A138-A141 VanDerWaalsContact O-N 3.14Å; A138-V142 PolarHBondContact O-N 3.21Å
139	V	51.7	Low	51.2	Low	89 Å²	89	104.7 Å²	104.7	54%	0.539	63%	0.628	S	S	.	*	H	α-helix	trans	-64.5	-32.6	172.1	-172.9	0	0	0	0	111.3	A141 V142	V139-A141 VanDerWaalsContact C-N 3.34Å; V139-V142 WeakPolarHBondContact O-CG2 3.2Å
140	S	51.8	Low	50.7	Low	70 Å²	70	108.4 Å²	108.4	49%	0.49	64%	0.637	S	S	.	*	H	α-helix	trans	-72.2	-27.6	175.3	-56.1	0	0	0	0	112.7	A136 R137 A138 K143	A136-S140 PolarHBondContact O-N 3.08Å; A136-S140 PolarHBondContact O-OG 3.01Å; R137-S140 WeakPolarHBondContact O-CB 3.38Å; R137-S140 PolarHBondContact O-N 3.33Å; A138-S140 VanDerWaalsContact C-N 3.26Å; A138-S140 PolarHBondContact O-N 3.45Å; S140-K143 PolarHBondContact O-N 3.15Å
141	A	50.3	Low	50.3	Low	57 Å²	57	110.8 Å²	110.8	47%	0.471	64%	0.644	S	S	.	*	H	α-helix	trans	-74.1	-34.1	-179.6	0	0	0	0	0	112.9	R137 A138 V139 K143 N144 M145	R137-A141 PolarHBondContact O-N 3.44Å; A138-A141 WeakPolarHBondContact O-CB 3.45Å; A138-A141 PolarHBondContact O-N 3.04Å; A138-A141 VanDerWaalsContact O-N 3.14Å; V139-A141 VanDerWaalsContact C-N 3.34Å; A141-K143 VanDerWaalsContact C-N 3.27Å; A141-K143 PolarHBondContact O-N 3.1Å; A141-N144 PolarHBondContact O-N 3.33Å; A141-M145 PolarHBondContact O-N 3.48Å
142	V	51.8	Low	50.3	Low	87 Å²	87	113.7 Å²	113.7	53%	0.527	65%	0.645	S	S	.	*	H	α-helix	trans	-67.9	-27.3	172.9	-68.5	0	0	0	0	112.5	A138 V139 N144 M145	A138-V142 PolarHBondContact O-N 3.21Å; V139-V142 WeakPolarHBondContact O-CG2 3.2Å; V142-N144 VanDerWaalsContact C-N 3.27Å; V142-N144 PolarHBondContact O-N 2.66Å; V142-M145 HydrophobicContact CB-CE 4.16Å; V142-M145 HydrophobicContact CG1-CE 3.71Å; V142-M145 PolarHBondContact O-N 2.87Å
143	K	51.1	Low	50.2	Low	187 Å²	187	114.6 Å²	114.6	81%	0.813	64%	0.637	S	S	*	*	H	α-helix	trans	-71.6	-20.6	176.1	-151.1	174.5	-174.3	177.2	0	113.3	S140 A141	S140-K143 PolarHBondContact O-N 3.15Å; A141-K143 VanDerWaalsContact C-N 3.27Å; A141-K143 PolarHBondContact O-N 3.1Å
144	N	48.9	Very low	50.4	Low	143 Å²	143	118 Å²	118	77%	0.765	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-0.4	178.4	-75	-16.2	0	0	0	113.5	A141 V142 N146	A141-N144 PolarHBondContact O-N 3.33Å; V142-N144 VanDerWaalsContact C-N 3.27Å; V142-N144 PolarHBondContact O-N 2.66Å; N144-N146 PolarHBondContact O-N 3.32Å
145	M	49	Very low	50.2	Low	118 Å²	118	121.9 Å²	121.9	58%	0.581	66%	0.655	S	S	*	*	S	Bend	trans	-77	112.8	167.6	-74.3	-164.6	-76.1	0	0	108.2	A141 V142 L147	A141-M145 PolarHBondContact O-N 3.48Å; V142-M145 HydrophobicContact CB-CE 4.16Å; V142-M145 HydrophobicContact CG1-CE 3.71Å; V142-M145 PolarHBondContact O-N 2.87Å; M145-L147 PolarHBondContact O-N 3.4Å
146	N	50.6	Low	50.1	Low	167 Å²	167	123.9 Å²	123.9	89%	0.893	66%	0.659	S	S	*	*			trans	-67.6	83.1	174.1	-156.3	25.9	0	0	0	108.4	N144	N144-N146 PolarHBondContact O-N 3.32Å
147	L	50.8	Low	50.3	Low	121 Å²	121	122.7 Å²	122.7	63%	0.634	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-62	137.6	171.4	-119.4	78.4	0	0	0	108.1	M145 E149	M145-L147 PolarHBondContact O-N 3.4Å; L147-E149 PolarHBondContact O-N 3.03Å; L147-E149 VanDerWaalsContact O-N 3.15Å
148	P	46.8	Very low	50.4	Low	114 Å²	114	120.7 Å²	120.7	74%	0.74	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.1	123.9	167.2	-18	29.7	0	0	0	108.3	I150	P148-I150 PolarHBondContact O-N 3.46Å; P148-I150 VanDerWaalsContact O-N 3.1Å
149	E	48.8	Very low	50.4	Low	157 Å²	157	124.2 Å²	124.2	73%	0.734	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-54.9	120.6	178.9	-67.7	-161.3	159.2	0	0	109.5	L147 P151 R152	L147-E149 PolarHBondContact O-N 3.03Å; L147-E149 VanDerWaalsContact O-N 3.15Å; E149-P151 WeakPolarHBondContact O-CD 3.49Å; E149-R152 IonicContact OE1-NH2 3.95Å; E149-R152 IonicContact OE2-NH2 3.73Å
150	I	52.4	Low	50.1	Low	142 Å²	142	124.6 Å²	124.6	73%	0.728	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-62.2	122.2	171.4	-59.9	166.4	0	0	0	106.5	P148 R152	P148-I150 PolarHBondContact O-N 3.46Å; P148-I150 VanDerWaalsContact O-N 3.1Å; I150-R152 PolarHBondContact O-N 3.17Å
151	P	45.7	Very low	50	Low	98 Å²	98	127.5 Å²	127.5	64%	0.636	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-59.9	123.7	-176	20.7	-30.5	0	0	0	110.1	E149 N153	E149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-N153 PolarHBondContact O-N 3.12Å
152	R	52.8	Low	49.9	Very low	200 Å²	200	133.9 Å²	133.9	76%	0.755	70%	0.703	S	S	*	*	S	Bend	trans	-68	3.7	-174.5	-64.7	-176.9	-157.8	137.5	13	114.9	E149 I150	E149-R152 IonicContact OE1-NH2 3.95Å; E149-R152 IonicContact OE2-NH2 3.73Å; I150-R152 PolarHBondContact O-N 3.17Å
153	N	49.2	Very low	49.9	Very low	112 Å²	112	135.5 Å²	135.5	60%	0.599	71%	0.713	S	S	*	*			trans	-145.6	119.2	177.7	-82.7	-43	0	0	0	110.2	P151	P151-N153 PolarHBondContact O-N 3.12Å
154	I	53.3	Low	49.7	Very low	134 Å²	134	132 Å²	132	69%	0.687	71%	0.71	S	S	*	*			trans	-96.5	111.4	163.3	-58.8	172.6	0	0	0	105.4	I156	I154-I156 HydrophobicContact CG2-CD1 3.96Å; I154-I156 HydrophobicContact CG2-CG1 4Å
155	N	44.5	Very low	49.6	Very low	118 Å²	118	133.1 Å²	133.1	63%	0.631	72%	0.715	S	S	*	*			trans	-94.4	107.1	173.4	-122.9	-86	0	0	0	108.2
156	I	48.4	Very low	49.6	Very low	138 Å²	138	134.5 Å²	134.5	71%	0.708	73%	0.725	S	S	*	*	B	Isolated β-bridge	trans	-115.5	94.9	167.8	-70.1	169.1	0	0	0	105.7	I154	I154-I156 HydrophobicContact CG2-CD1 3.96Å; I154-I156 HydrophobicContact CG2-CG1 4Å
157	G	57.5	Low	49.3	Very low	56 Å²	56	131.6 Å²	131.6	58%	0.577	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.8	-160	-178.5	0	0	0	0	0	114.5	I159	G157-I159 PolarHBondContact O-N 3.13Å
158	D	50.6	Low	49	Very low	177 Å²	177	131.2 Å²	131.2	95%	0.947	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	14.6	-171.7	-67.3	-51.8	0	0	0	116
159	I	53.1	Low	48.7	Very low	124 Å²	124	135.3 Å²	135.3	64%	0.636	73%	0.729	S	S	*	*	B	Isolated β-bridge	trans	-112.5	101.6	-178.5	-54.5	177.6	0	0	0	109.7	G157 I161	G157-I159 PolarHBondContact O-N 3.13Å; I159-I161 HydrophobicContact CG2-CG1 4.04Å
160	S	44.4	Very low	48.3	Very low	97 Å²	97	141 Å²	141	68%	0.678	75%	0.751	S	S	*	*			trans	-85	106.2	170.3	-71.1	0	0	0	0	110.6
161	I	49.6	Very low	48.1	Very low	130 Å²	130	141 Å²	141	67%	0.667	75%	0.752	S	S	*	*			trans	-90.4	108	172.7	-56.5	177.7	0	0	0	108.7	I159 V163	I159-I161 HydrophobicContact CG2-CG1 4.04Å; I161-V163 PolarHBondContact O-N 3.04Å
162	K	48.7	Very low	48.3	Very low	192 Å²	192	143.2 Å²	143.2	84%	0.835	76%	0.758	S	S	*	*			trans	-78.9	115.5	169.6	-90.9	-176.5	176.4	178.6	0	109.7
163	V	50.8	Low	48	Very low	121 Å²	121	140.1 Å²	140.1	73%	0.733	76%	0.758	S	S	*	*			trans	-70.2	126	171.3	-161.9	0	0	0	0	108.9	I161	I161-V163 PolarHBondContact O-N 3.04Å
164	P	47.1	Very low	48	Very low	114 Å²	114	141.7 Å²	141.7	74%	0.74	77%	0.768	S	S	*	*			trans	-65.6	139.9	175.3	-18.1	30.7	0	0	0	111.3	L166	P164-L166 PolarHBondContact O-N 3.38Å
165	N	47.2	Very low	47.6	Very low	165 Å²	165	142.2 Å²	142.2	88%	0.882	77%	0.773	S	S	*	*			trans	-77	114.8	-178.9	-146.1	-11	0	0	0	109.3
166	L	49.2	Very low	47.8	Very low	148 Å²	148	143.8 Å²	143.8	78%	0.775	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-78.1	130.8	175.8	-144.8	76.8	0	0	0	109	P164 S168	P164-L166 PolarHBondContact O-N 3.38Å; L166-S168 PolarHBondContact O-N 3.21Å
167	P	44.1	Very low	47.8	Very low	105 Å²	105	144.2 Å²	144.2	68%	0.682	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-64.5	130	179.6	23.9	-31.5	0	0	0	110.9	F169	P167-F169 PolarHBondContact O-N 2.82Å
168	S	45.6	Very low	47	Very low	114 Å²	114	151 Å²	151	80%	0.797	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-64.2	120.2	173.4	-171.7	0	0	0	0	109.2	L166 K170	L166-S168 PolarHBondContact O-N 3.21Å; S168-K170 PolarHBondContact O-N 3.02Å
169	F	40.4	Very low	46.7	Very low	199 Å²	199	148.8 Å²	148.8	87%	0.873	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-61.3	124.6	169.2	-78.2	-89.1	0	0	0	109	P167	P167-F169 PolarHBondContact O-N 2.82Å
170	K	40.8	Very low	46.2	Very low	277 Å²	277	151.1 Å²	151.1	100%	1.204	81%	0.806	S	S	*	*			trans	-88.4	0	166.7	-92.6	-172.8	176	-179.8	0	109.5	S168	S168-K170 PolarHBondContact O-N 3.02Å

Retrieved 170 of 170 residues in 285.4 ms (Link to these results)

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