Y580_STAA8 Loading...

UPF0741 protein SAOUHSC_00580

AlphaFold DB , UniProt , Accession Q2G0I5, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 113 aa.

						>Y580_STAA8|Q2G0I5
MKNTFLICDECQAVNIRTLQKKLEKLDPDAEIVIGCQSYCGPGRRKTFTFVNNRPLAALTEEELIEKVSQQLKKPRDPEEEERLRKRHEERKRRKEEQDRKLKEKLEKRKAQQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.3	Low	89.3	Confident	189 Å²	189	59 Å²	59	93%	0.931	29%	0.29	S	S	*	.				0	122.4	0	-68.1	-174	-174	0	0	107.4
2	K	82.5	Confident	89.3	Confident	148 Å²	148	68.3 Å²	68.3	64%	0.643	33%	0.332	S	S	*	.			trans	-71.6	148	173.5	-66.3	-174	175	-168.9	0	109.6	R76	K2-R76 PolarHBondContact O-NH2 3.3Å
3	N	89.1	Confident	89.4	Confident	29 Å²	29	65.5 Å²	65.5	16%	0.155	33%	0.328	C	S	.	.			trans	-82.7	147.7	168.7	-68.2	-49.7	0	0	0	108.9	D27 A30 E31 N52 L72 R76	N3-D27 WeakPolarHBondContact CB-OD2 3.35Å; N3-D27 PolarHBondContact ND2-OD2 3.4Å; N3-A30 HydrophobicContact CB-CB 4.12Å; N3-A30 CarbonylContact O-C 3.51Å; N3-A30 VanDerWaalsContact O-CA 3.23Å; N3-A30 WeakPolarHBondContact O-CA 3.32Å; N3-A30 WeakPolarHBondContact O-CB 3.33Å; N3-E31 PolarHBondContact O-N 3.49Å; N3-N52 WeakPolarHBondContact CA-OD1 3.38Å; N3-N52 PolarHBondContact OD1-ND2 3.16Å; N3-L72 HydrophobicContact CB-CD2 4.35Å; N3-L72 WeakPolarHBondContact ND2-CD2 3.16Å; N3-R76 PolarHBondContact OD1-NH1 3.37Å; N3-R76 PolarHBondContact OD1-NH2 2.85Å
4	T	91.4	Very high	89.4	Confident	37 Å²	37	61.7 Å²	61.7	23%	0.227	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	174.5	-48.2	0	0	0	0	108.4	L6 E31 V33 N52	T4-L6 HydrophobicContact CG2-CD2 3.81Å; T4-E31 CarbonylContact C-O 3.51Å; T4-E31 VanDerWaalsContact CA-O 3.29Å; T4-E31 WeakPolarHBondContact CA-O 3.49Å; T4-E31 HydrophobicContact CG2-CB 4.33Å; T4-E31 HydrophobicContact CG2-CG 4.47Å; T4-V33 HydrophobicContact CG2-CG2 4.06Å; T4-N52 PolarHBondContact N-OD1 2.97Å; T4-N52 PolarHBondContact O-N 3.21Å
5	F	95.2	Very high	89.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.8	171.7	-60.4	-59.1	0	0	0	109.5	L23 D27 A30 E31 I32 V33 F50 V51 V68 L72	F5-L23 HydrophobicContact CB-CD1 4.18Å; F5-L23 HydrophobicContact CD1-CD2 4.2Å; F5-L23 HydrophobicContact CD2-CB 4.15Å; F5-L23 HydrophobicContact CE1-CD2 4.24Å; F5-L23 HydrophobicContact CE2-CB 4.36Å; F5-L23 HydrophobicContact CG-CD1 4.3Å; F5-L23 HydrophobicContact CG-CD2 4.35Å; F5-L23 HydrophobicContact CZ-CD2 4.42Å; F5-D27 HydrophobicContact CE2-CB 4.04Å; F5-D27 HydrophobicContact CZ-CB 4.22Å; F5-A30 HydrophobicContact CD2-CB 3.49Å; F5-A30 VanDerWaalsContact CD2-CB 3.49Å; F5-A30 HydrophobicContact CE2-CB 3.24Å; F5-A30 HydrophobicContact CZ-CB 4.22Å; F5-E31 PolarHBondContact N-O 3.24Å; F5-I32 HydrophobicContact CB-CG1 4.33Å; F5-I32 HydrophobicContact CD2-CG1 4.15Å; F5-I32 WeakPolarHBondContact O-CA 3.44Å; F5-V33 PolarHBondContact O-N 3.01Å; F5-F50 CarbonylContact C-O 3.51Å; F5-F50 VanDerWaalsContact CA-O 3.27Å; F5-F50 WeakPolarHBondContact CA-O 3.31Å; F5-V51 HydrophobicContact CD1-CB 4.38Å; F5-V51 HydrophobicContact CD1-CG1 4.26Å; F5-V51 HydrophobicContact CD1-CG2 3.93Å; F5-V51 HydrophobicContact CE1-CB 4.33Å; F5-V51 HydrophobicContact CE1-CG1 3.84Å; F5-V51 HydrophobicContact CE1-CG2 3.86Å; F5-V68 HydrophobicContact CE1-CG1 3.94Å; F5-V68 HydrophobicContact CZ-CG1 4.42Å; F5-L72 HydrophobicContact CE1-CD2 4.37Å; F5-L72 HydrophobicContact CZ-CD1 4.19Å; F5-L72 HydrophobicContact CZ-CD2 4.25Å
6	L	94.3	Very high	89.7	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.1	174.1	-38.1	165.6	0	0	0	109.3	T4 V33 Q37 T49 F50	T4-L6 HydrophobicContact CG2-CD2 3.81Å; L6-V33 WeakPolarHBondContact CA-O 3.42Å; L6-V33 HydrophobicContact CD2-CB 3.61Å; L6-V33 HydrophobicContact CD2-CG1 4.28Å; L6-V33 HydrophobicContact CD2-CG2 3.83Å; L6-Q37 VanDerWaalsContact CB-CD 3.49Å; L6-Q37 HydrophobicContact CB-CG 4.08Å; L6-T49 PolarHBondContact O-OG1 3.02Å; L6-F50 HydrophobicContact CB-CB 3.87Å; L6-F50 HydrophobicContact CB-CD2 4.49Å; L6-F50 HydrophobicContact CD1-CB 3.91Å; L6-F50 HydrophobicContact CD1-CG 4.36Å; L6-F50 HydrophobicContact CG-CB 4.03Å; L6-F50 PolarHBondContact N-O 3.43Å; L6-F50 PolarHBondContact O-N 2.98Å
7	I	94.1	Very high	89.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.3	-178.6	-46.9	173	0	0	0	108.6	V14 L19 L23 I32 V33 I34 G35	I7-V14 HydrophobicContact CG2-CG1 3.64Å; I7-L19 HydrophobicContact CD1-CD2 4.47Å; I7-L19 HydrophobicContact CD1-CG 4.39Å; I7-L19 HydrophobicContact CG1-CD2 4.5Å; I7-L19 HydrophobicContact CG2-CD2 3.82Å; I7-L23 HydrophobicContact CD1-CD1 3.47Å; I7-L23 VanDerWaalsContact CD1-CD1 3.47Å; I7-L23 HydrophobicContact CG1-CD1 3.95Å; I7-I32 HydrophobicContact CD1-CG2 3.72Å; I7-I32 HydrophobicContact CG1-CG2 4.32Å; I7-V33 PolarHBondContact N-O 3.38Å; I7-I34 WeakPolarHBondContact O-CA 3.08Å; I7-G35 PolarHBondContact O-N 3.03Å
8	C	93.7	Very high	89.9	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.			trans	-94.6	132.6	174.4	-172.6	0	0	0	0	110.9	C11 G35 Q37 F48	C8-C11 HydrophobicContact CB-CB 4.15Å; C8-C11 PolarHBondContact SG-SG 2.96Å; C8-G35 WeakPolarHBondContact CA-O 3.31Å; C8-Q37 HydrophobicContact CB-CG 4.33Å; C8-F48 HydrophobicContact CB-CE1 4.25Å; C8-F48 HydrophobicContact CB-CE2 4.3Å; C8-F48 HydrophobicContact CB-CZ 3.53Å
9	D	91.7	Very high	90	Very high	80 Å²	80	65.8 Å²	65.8	43%	0.428	32%	0.321	S	S	.	.	S	Bend	trans	-89.9	-15.1	177.5	55.2	-24.7	0	0	0	114.5	I16 I34 G35 C36	D9-I16 HydrophobicContact CB-CD1 3.48Å; D9-I16 VanDerWaalsContact CB-CD1 3.48Å; D9-I16 HydrophobicContact CB-CG1 4.34Å; D9-I34 HydrophobicContact CB-CG2 3.71Å; D9-G35 WeakPolarHBondContact OD1-CA 3.4Å; D9-C36 PolarHBondContact OD1-N 3.37Å
10	E	90.3	Very high	90.1	Very high	134 Å²	134	65.5 Å²	65.5	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-95.7	-13.1	-178.7	-61.5	176.2	173.2	0	0	113.4	C36	E10-C36 PolarHBondContact OE2-SG 2.67Å
11	C	90.9	Very high	90.4	Very high	11 Å²	11	68.9 Å²	68.9	7%	0.074	33%	0.332	C	S	.	.			trans	-81	126.9	-171.8	-77.8	0	0	0	0	112.8	C8 A13 V14 F48	C8-C11 HydrophobicContact CB-CB 4.15Å; C8-C11 PolarHBondContact SG-SG 2.96Å; C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 3.03Å; C11-V14 HydrophobicContact CB-CB 4.09Å; C11-V14 HydrophobicContact CB-CG2 3.75Å; C11-V14 PolarHBondContact O-N 3.47Å; C11-V14 VanDerWaalsContact O-N 3.12Å; C11-F48 HydrophobicContact CB-CE1 3.99Å
12	Q	88.7	Confident	91.5	Very high	170 Å²	170	63 Å²	63	79%	0.794	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.3	-176.9	-68.5	-179.2	-44	0	0	114.3	V14	Q12-V14 VanDerWaalsContact C-N 3.31Å
13	A	90.7	Very high	92	Very high	33 Å²	33	56 Å²	56	27%	0.273	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.2	-178.4	0	0	0	0	0	113.3	C11 G43 K46 T47	C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 3.03Å; A13-G43 VanDerWaalsContact CB-O 3.23Å; A13-G43 WeakPolarHBondContact CB-O 3.45Å; A13-G43 PolarHBondContact N-O 2.91Å; A13-K46 WeakPolarHBondContact CB-O 3.49Å; A13-T47 WeakPolarHBondContact O-CB 3.39Å
14	V	90	Very high	92.2	Very high	12 Å²	12	58.7 Å²	58.7	7%	0.073	28%	0.283	C	S	.	.			trans	-100.3	115.8	-178.2	-178	0	0	0	0	108.8	I7 C11 Q12 L19 F48	I7-V14 HydrophobicContact CG2-CG1 3.64Å; C11-V14 HydrophobicContact CB-CB 4.09Å; C11-V14 HydrophobicContact CB-CG2 3.75Å; C11-V14 PolarHBondContact O-N 3.47Å; C11-V14 VanDerWaalsContact O-N 3.12Å; Q12-V14 VanDerWaalsContact C-N 3.31Å; V14-L19 HydrophobicContact CG1-CD2 3.76Å; V14-F48 HydrophobicContact CG2-CD1 3.64Å; V14-F48 HydrophobicContact CG2-CE1 3.63Å
15	N	91.8	Very high	92.3	Very high	82 Å²	82	65.5 Å²	65.5	44%	0.439	31%	0.309	S	S	.	.			trans	-95.4	100.6	171.6	-176.9	-13.2	0	0	0	109.6	R17 T18 L19 E61	N15-R17 VanDerWaalsContact C-N 3.3Å; N15-R17 PolarHBondContact O-N 3.12Å; N15-R17 PolarHBondContact OD1-N 2.99Å; N15-T18 VanDerWaalsContact CB-OG1 3.22Å; N15-T18 WeakPolarHBondContact CB-OG1 3.38Å; N15-T18 PolarHBondContact ND2-OG1 2.98Å; N15-T18 PolarHBondContact O-N 3.21Å; N15-T18 PolarHBondContact O-OG1 2.88Å; N15-T18 VanDerWaalsContact O-OG1 3.05Å; N15-T18 PolarHBondContact OD1-OG1 2.93Å; N15-L19 WeakPolarHBondContact O-CB 3.33Å; N15-L19 PolarHBondContact O-N 3.13Å; N15-E61 WeakPolarHBondContact CB-OE1 3.45Å
16	I	90.7	Very high	92.1	Very high	48 Å²	48	68.6 Å²	68.6	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-43.5	-174.3	-49.2	158.5	0	0	0	111.1	D9 T18 L19 Q20 I34	D9-I16 HydrophobicContact CB-CD1 3.48Å; D9-I16 VanDerWaalsContact CB-CD1 3.48Å; D9-I16 HydrophobicContact CB-CG1 4.34Å; I16-T18 VanDerWaalsContact C-N 3.35Å; I16-T18 PolarHBondContact O-N 3.37Å; I16-L19 PolarHBondContact O-N 3.36Å; I16-Q20 WeakPolarHBondContact O-CB 3.4Å; I16-Q20 PolarHBondContact O-N 3.26Å; I16-I34 HydrophobicContact CG2-CD1 4.21Å
17	R	90	Very high	91.9	Very high	205 Å²	205	68.9 Å²	68.9	77%	0.774	33%	0.327	S	S	*	.	H	α-helix	trans	-64.9	-39.2	-173.3	-68.9	-177.1	175.6	-175.9	-0.6	112.3	N15 K21	N15-R17 VanDerWaalsContact C-N 3.3Å; N15-R17 PolarHBondContact O-N 3.12Å; N15-R17 PolarHBondContact OD1-N 2.99Å; R17-K21 WeakPolarHBondContact O-CD 3.46Å; R17-K21 VanDerWaalsContact O-CG 3.31Å; R17-K21 WeakPolarHBondContact O-CG 3.3Å
18	T	93.7	Very high	91.6	Very high	51 Å²	51	73.9 Å²	73.9	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-81.5	-43.8	178.6	44.6	0	0	0	0	110.8	N15 I16 K21 K22 E61	N15-T18 VanDerWaalsContact CB-OG1 3.22Å; N15-T18 WeakPolarHBondContact CB-OG1 3.38Å; N15-T18 PolarHBondContact ND2-OG1 2.98Å; N15-T18 PolarHBondContact O-N 3.21Å; N15-T18 PolarHBondContact O-OG1 2.88Å; N15-T18 VanDerWaalsContact O-OG1 3.05Å; N15-T18 PolarHBondContact OD1-OG1 2.93Å; I16-T18 VanDerWaalsContact C-N 3.35Å; I16-T18 PolarHBondContact O-N 3.37Å; T18-K21 PolarHBondContact O-N 3.37Å; T18-K22 WeakPolarHBondContact O-CG 3.41Å; T18-K22 PolarHBondContact O-N 3.48Å; T18-K22 VanDerWaalsContact O-N 3.07Å; T18-E61 WeakPolarHBondContact CB-OE2 3.41Å; T18-E61 PolarHBondContact OG1-OE1 3.3Å; T18-E61 PolarHBondContact OG1-OE2 2.64Å
19	L	92.3	Very high	91.5	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-66.1	-45	-177.6	-174.1	60.1	0	0	0	112.2	I7 V14 N15 I16 K21 K22 L23 L64 I65	I7-L19 HydrophobicContact CD1-CD2 4.47Å; I7-L19 HydrophobicContact CD1-CG 4.39Å; I7-L19 HydrophobicContact CG1-CD2 4.5Å; I7-L19 HydrophobicContact CG2-CD2 3.82Å; V14-L19 HydrophobicContact CG1-CD2 3.76Å; N15-L19 WeakPolarHBondContact O-CB 3.33Å; N15-L19 PolarHBondContact O-N 3.13Å; I16-L19 PolarHBondContact O-N 3.36Å; L19-K21 PolarHBondContact O-N 2.82Å; L19-K22 PolarHBondContact O-N 3.44Å; L19-L23 HydrophobicContact CD1-CD1 4.22Å; L19-L23 HydrophobicContact CD1-CG 4.28Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.03Å; L19-L64 HydrophobicContact CD1-CD2 3.82Å; L19-L64 HydrophobicContact CD2-CD2 4.29Å; L19-I65 HydrophobicContact CD1-CD1 3.98Å
20	Q	92.5	Very high	91.4	Very high	60 Å²	60	76.5 Å²	76.5	28%	0.28	38%	0.376	S	S	.	.	H	α-helix	trans	-56.9	-51.3	176.7	-179.6	-177.4	-4.5	0	0	111	I16 K22 L23 E24 I32	I16-Q20 WeakPolarHBondContact O-CB 3.4Å; I16-Q20 PolarHBondContact O-N 3.26Å; Q20-K22 VanDerWaalsContact C-N 3.26Å; Q20-K22 PolarHBondContact O-N 2.85Å; Q20-L23 PolarHBondContact O-N 2.95Å; Q20-L23 VanDerWaalsContact O-N 3.09Å; Q20-E24 HydrophobicContact CG-CG 4.35Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.48Å; Q20-E24 PolarHBondContact NE2-OE1 3.37Å; Q20-E24 WeakPolarHBondContact O-CG 3.09Å; Q20-E24 PolarHBondContact O-N 2.89Å; Q20-I32 HydrophobicContact CG-CD1 4.12Å
21	K	94.5	Very high	91.6	Very high	137 Å²	137	75.4 Å²	75.4	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-58.8	-36.1	177.8	-71.3	179.6	-177.7	-175.6	0	112.9	R17 T18 L19 K25	R17-K21 WeakPolarHBondContact O-CD 3.46Å; R17-K21 VanDerWaalsContact O-CG 3.31Å; R17-K21 WeakPolarHBondContact O-CG 3.3Å; T18-K21 PolarHBondContact O-N 3.37Å; L19-K21 PolarHBondContact O-N 2.82Å; K21-K25 VanDerWaalsContact O-CG 3.25Å; K21-K25 WeakPolarHBondContact O-CG 3.31Å; K21-K25 PolarHBondContact O-N 3.37Å
22	K	94.1	Very high	91.7	Very high	66 Å²	66	76.8 Å²	76.8	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-70.3	-39	176.9	-75.4	174.1	175.2	178.4	0	111.5	T18 L19 Q20 K25 L26 E61 I65	T18-K22 WeakPolarHBondContact O-CG 3.41Å; T18-K22 PolarHBondContact O-N 3.48Å; T18-K22 VanDerWaalsContact O-N 3.07Å; L19-K22 PolarHBondContact O-N 3.44Å; Q20-K22 VanDerWaalsContact C-N 3.26Å; Q20-K22 PolarHBondContact O-N 2.85Å; K22-K25 PolarHBondContact O-N 3.45Å; K22-L26 WeakPolarHBondContact O-CG 3.33Å; K22-L26 PolarHBondContact O-N 3.17Å; K22-E61 WeakPolarHBondContact CE-OE2 3.42Å; K22-E61 IonicContact NZ-OE2 2.72Å; K22-E61 PolarHBondContact NZ-OE2 2.9Å; K22-I65 HydrophobicContact CB-CD1 3.83Å; K22-I65 HydrophobicContact CB-CG1 3.98Å; K22-I65 HydrophobicContact CD-CD1 4.47Å; K22-I65 HydrophobicContact CD-CG1 3.93Å; K22-I65 HydrophobicContact CG-CG1 4.44Å
23	L	93.3	Very high	92	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-71.1	-42.7	178.1	-67.4	170.7	0	0	0	112.1	F5 I7 L19 Q20 K25 L26 D27 I32 I65 V68	F5-L23 HydrophobicContact CB-CD1 4.18Å; F5-L23 HydrophobicContact CD1-CD2 4.2Å; F5-L23 HydrophobicContact CD2-CB 4.15Å; F5-L23 HydrophobicContact CE1-CD2 4.24Å; F5-L23 HydrophobicContact CE2-CB 4.36Å; F5-L23 HydrophobicContact CG-CD1 4.3Å; F5-L23 HydrophobicContact CG-CD2 4.35Å; F5-L23 HydrophobicContact CZ-CD2 4.42Å; I7-L23 HydrophobicContact CD1-CD1 3.47Å; I7-L23 VanDerWaalsContact CD1-CD1 3.47Å; I7-L23 HydrophobicContact CG1-CD1 3.95Å; L19-L23 HydrophobicContact CD1-CD1 4.22Å; L19-L23 HydrophobicContact CD1-CG 4.28Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.03Å; Q20-L23 PolarHBondContact O-N 2.95Å; Q20-L23 VanDerWaalsContact O-N 3.09Å; L23-K25 PolarHBondContact O-N 3.41Å; L23-L26 HydrophobicContact CD2-CD1 4.27Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 3.01Å; L23-D27 PolarHBondContact O-N 3.47Å; L23-I32 HydrophobicContact CB-CD1 4.28Å; L23-I65 HydrophobicContact CD2-CD1 4.11Å; L23-V68 HydrophobicContact CD2-CG1 4.04Å; L23-V68 HydrophobicContact CD2-CG2 4.44Å
24	E	92.7	Very high	92.1	Very high	85 Å²	85	73.3 Å²	73.3	40%	0.397	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-35.2	173.6	-71.4	171.8	178.5	0	0	112	Q20 D27 P28 I32	Q20-E24 HydrophobicContact CG-CG 4.35Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.48Å; Q20-E24 PolarHBondContact NE2-OE1 3.37Å; Q20-E24 WeakPolarHBondContact O-CG 3.09Å; Q20-E24 PolarHBondContact O-N 2.89Å; E24-D27 CarbonylContact O-C 3.59Å; E24-P28 VanDerWaalsContact O-CA 3.32Å; E24-P28 WeakPolarHBondContact O-CA 3.46Å; E24-I32 HydrophobicContact CG-CD1 3.49Å; E24-I32 VanDerWaalsContact CG-CD1 3.49Å
25	K	92.7	Very high	92.2	Very high	180 Å²	180	73.7 Å²	73.7	78%	0.783	37%	0.366	S	S	*	.	H	α-helix	trans	-70.8	-30.7	174.5	-76.7	176.5	-179	-171.6	0	113.6	K21 K22 L23	K21-K25 VanDerWaalsContact O-CG 3.25Å; K21-K25 WeakPolarHBondContact O-CG 3.31Å; K21-K25 PolarHBondContact O-N 3.37Å; K22-K25 PolarHBondContact O-N 3.45Å; L23-K25 PolarHBondContact O-N 3.41Å
26	L	90.7	Very high	92.2	Very high	65 Å²	65	72.5 Å²	72.5	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-77.6	-42.5	179.8	-73.4	165.6	0	0	0	111.5	K22 L23 I65 V68	K22-L26 WeakPolarHBondContact O-CG 3.33Å; K22-L26 PolarHBondContact O-N 3.17Å; L23-L26 HydrophobicContact CD2-CD1 4.27Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 3.01Å; L26-I65 HydrophobicContact CD1-CB 4.47Å; L26-I65 HydrophobicContact CD1-CD1 3.94Å; L26-I65 HydrophobicContact CD1-CG1 4.49Å; L26-I65 HydrophobicContact CD1-CG2 3.73Å; L26-I65 HydrophobicContact CD2-CG2 4.2Å; L26-I65 HydrophobicContact CG-CG2 4.4Å; L26-V68 HydrophobicContact CD1-CG1 4.11Å
27	D	89.9	Confident	92.2	Very high	27 Å²	27	72.4 Å²	72.4	14%	0.144	36%	0.362	C	S	.	.			trans	-146.6	95.2	179	-173.1	-3.4	0	0	0	109.4	N3 F5 L23 E24 D29 A30	N3-D27 WeakPolarHBondContact CB-OD2 3.35Å; N3-D27 PolarHBondContact ND2-OD2 3.4Å; F5-D27 HydrophobicContact CE2-CB 4.04Å; F5-D27 HydrophobicContact CZ-CB 4.22Å; L23-D27 PolarHBondContact O-N 3.47Å; E24-D27 CarbonylContact O-C 3.59Å; D27-D29 PolarHBondContact O-N 2.96Å; D27-D29 PolarHBondContact OD1-N 2.96Å; D27-A30 HydrophobicContact CB-CB 3.94Å; D27-A30 WeakPolarHBondContact O-CB 3.41Å; D27-A30 PolarHBondContact O-N 3.18Å; D27-A30 PolarHBondContact OD1-N 3.43Å
28	P	89.5	Confident	92.2	Very high	106 Å²	106	67.8 Å²	67.8	69%	0.688	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.1	-178.8	27.9	-34.4	0	0	0	113.2	E24 A30	E24-P28 VanDerWaalsContact O-CA 3.32Å; E24-P28 WeakPolarHBondContact O-CA 3.46Å; P28-A30 VanDerWaalsContact C-N 3.34Å
29	D	90.3	Very high	92.1	Very high	118 Å²	118	69 Å²	69	63%	0.631	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.9	178.1	-74.2	-45.1	0	0	0	112.7	D27	D27-D29 PolarHBondContact O-N 2.96Å; D27-D29 PolarHBondContact OD1-N 2.96Å
30	A	91	Very high	91.9	Very high	16 Å²	16	71.4 Å²	71.4	13%	0.132	38%	0.377	C	S	.	.	S	Bend	trans	-73	145.1	179.3	0	0	0	0	0	112.6	N3 F5 D27 P28	N3-A30 HydrophobicContact CB-CB 4.12Å; N3-A30 CarbonylContact O-C 3.51Å; N3-A30 VanDerWaalsContact O-CA 3.23Å; N3-A30 WeakPolarHBondContact O-CA 3.32Å; N3-A30 WeakPolarHBondContact O-CB 3.33Å; F5-A30 HydrophobicContact CD2-CB 3.49Å; F5-A30 VanDerWaalsContact CD2-CB 3.49Å; F5-A30 HydrophobicContact CE2-CB 3.24Å; F5-A30 HydrophobicContact CZ-CB 4.22Å; D27-A30 HydrophobicContact CB-CB 3.94Å; D27-A30 WeakPolarHBondContact O-CB 3.41Å; D27-A30 PolarHBondContact O-N 3.18Å; D27-A30 PolarHBondContact OD1-N 3.43Å; P28-A30 VanDerWaalsContact C-N 3.34Å
31	E	93	Very high	91.7	Very high	112 Å²	112	71.2 Å²	71.2	52%	0.523	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.3	170.7	-176.3	178.2	-172.3	0	0	109.6	N3 T4 F5 V33	N3-E31 PolarHBondContact O-N 3.49Å; T4-E31 CarbonylContact C-O 3.51Å; T4-E31 VanDerWaalsContact CA-O 3.29Å; T4-E31 WeakPolarHBondContact CA-O 3.49Å; T4-E31 HydrophobicContact CG2-CB 4.33Å; T4-E31 HydrophobicContact CG2-CG 4.47Å; F5-E31 PolarHBondContact N-O 3.24Å; E31-V33 HydrophobicContact CG-CG2 4.23Å
32	I	94.2	Very high	91.5	Very high	40 Å²	40	66.5 Å²	66.5	21%	0.205	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.8	176.4	-57.6	178.8	0	0	0	108.6	F5 I7 Q20 L23 E24 I34	F5-I32 HydrophobicContact CB-CG1 4.33Å; F5-I32 HydrophobicContact CD2-CG1 4.15Å; F5-I32 WeakPolarHBondContact O-CA 3.44Å; I7-I32 HydrophobicContact CD1-CG2 3.72Å; I7-I32 HydrophobicContact CG1-CG2 4.32Å; Q20-I32 HydrophobicContact CG-CD1 4.12Å; L23-I32 HydrophobicContact CB-CD1 4.28Å; E24-I32 HydrophobicContact CG-CD1 3.49Å; E24-I32 VanDerWaalsContact CG-CD1 3.49Å; I32-I34 HydrophobicContact CG2-CG1 4.19Å
33	V	93.5	Very high	91.2	Very high	55 Å²	55	63.4 Å²	63.4	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.2	174.4	-174.1	0	0	0	0	108.6	T4 F5 L6 I7 E31	T4-V33 HydrophobicContact CG2-CG2 4.06Å; F5-V33 PolarHBondContact O-N 3.01Å; L6-V33 WeakPolarHBondContact CA-O 3.42Å; L6-V33 HydrophobicContact CD2-CB 3.61Å; L6-V33 HydrophobicContact CD2-CG1 4.28Å; L6-V33 HydrophobicContact CD2-CG2 3.83Å; I7-V33 PolarHBondContact N-O 3.38Å; E31-V33 HydrophobicContact CG-CG2 4.23Å
34	I	93.7	Very high	91	Very high	75 Å²	75	71.9 Å²	71.9	39%	0.385	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.9	177.4	-57	173.6	0	0	0	108	I7 D9 I16 I32	I7-I34 WeakPolarHBondContact O-CA 3.08Å; D9-I34 HydrophobicContact CB-CG2 3.71Å; I16-I34 HydrophobicContact CG2-CD1 4.21Å; I32-I34 HydrophobicContact CG2-CG1 4.19Å
35	G	92.7	Very high	90.9	Very high	19 Å²	19	78 Å²	78	20%	0.196	41%	0.413	C	S	.	.	S	Bend	trans	163.6	167.9	174.7	0	0	0	0	0	112.3	I7 C8 D9 Q37	I7-G35 PolarHBondContact O-N 3.03Å; C8-G35 WeakPolarHBondContact CA-O 3.31Å; D9-G35 WeakPolarHBondContact OD1-CA 3.4Å; G35-Q37 WeakPolarHBondContact O-CG 3.42Å; G35-Q37 PolarHBondContact O-N 2.96Å; G35-Q37 VanDerWaalsContact O-N 3.07Å; G35-Q37 PolarHBondContact O-NE2 3.42Å
36	C	91.7	Very high	91	Very high	57 Å²	57	73.8 Å²	73.8	39%	0.385	40%	0.395	S	S	.	.			trans	-57.8	115.5	-178	-169.1	0	0	0	0	112.7	D9 E10 S38	D9-C36 PolarHBondContact OD1-N 3.37Å; E10-C36 PolarHBondContact OE2-SG 2.67Å; C36-S38 VanDerWaalsContact C-N 3.33Å
37	Q	89.4	Confident	91.1	Very high	46 Å²	46	70.9 Å²	70.9	22%	0.215	38%	0.38	C	S	.	.			trans	-91.9	9.6	-179.9	-59.2	-53.5	-45.6	0	0	113.5	L6 C8 G35 Y39 F48 F50	L6-Q37 VanDerWaalsContact CB-CD 3.49Å; L6-Q37 HydrophobicContact CB-CG 4.08Å; C8-Q37 HydrophobicContact CB-CG 4.33Å; G35-Q37 WeakPolarHBondContact O-CG 3.42Å; G35-Q37 PolarHBondContact O-N 2.96Å; G35-Q37 VanDerWaalsContact O-N 3.07Å; G35-Q37 PolarHBondContact O-NE2 3.42Å; Q37-Y39 PolarHBondContact O-N 3.13Å; Q37-F48 HydrophobicContact CB-CE2 4.08Å; Q37-F48 HydrophobicContact CB-CZ 4.43Å; Q37-F48 HydrophobicContact CG-CE2 4.43Å; Q37-F50 HydrophobicContact CB-CD2 4.09Å; Q37-F50 HydrophobicContact CB-CE2 3.7Å; Q37-F50 HydrophobicContact CG-CD2 4.15Å; Q37-F50 HydrophobicContact CG-CE2 4.28Å
38	S	90.6	Very high	91.3	Very high	109 Å²	109	69.6 Å²	69.6	76%	0.762	37%	0.373	S	S	*	.	S	Bend	trans	51.7	26.3	-176.6	-60.7	0	0	0	0	114.1	C36	C36-S38 VanDerWaalsContact C-N 3.33Å
39	Y	91.1	Very high	91.6	Very high	75 Å²	75	64.5 Å²	64.5	29%	0.294	34%	0.34	S	S	.	.			trans	-110.9	37.6	-177.4	-154.8	-120.2	0	0	0	111.5	Q37 G41 P42 G43 F48 F50 P55	Q37-Y39 PolarHBondContact O-N 3.13Å; Y39-G41 VanDerWaalsContact C-N 3.26Å; Y39-G41 PolarHBondContact O-N 3.43Å; Y39-P42 HydrophobicContact CD1-CB 3.81Å; Y39-P42 HydrophobicContact CD1-CG 3.85Å; Y39-P42 HydrophobicContact CE1-CB 3.52Å; Y39-P42 HydrophobicContact CE1-CG 3.39Å; Y39-P42 HydrophobicContact CE2-CG 4.11Å; Y39-P42 HydrophobicContact CG-CG 4.41Å; Y39-P42 WeakPolarHBondContact O-CD 3.3Å; Y39-G43 PolarHBondContact O-N 2.9Å; Y39-F48 HydrophobicContact CD1-CB 4.35Å; Y39-F48 HydrophobicContact CD1-CD1 4.25Å; Y39-F48 AromaticContact CD1-CD2 3.66Å; Y39-F48 HydrophobicContact CD1-CD2 3.66Å; Y39-F48 AromaticContact CD1-CE2 3.98Å; Y39-F48 HydrophobicContact CD1-CE2 3.98Å; Y39-F48 AromaticContact CD1-CG 3.81Å; Y39-F48 HydrophobicContact CD1-CG 3.81Å; Y39-F48 HydrophobicContact CD1-CZ 4.36Å; Y39-F48 HydrophobicContact CE1-CB 4.49Å; Y39-F48 HydrophobicContact CE1-CD2 4.45Å; Y39-F48 HydrophobicContact CE1-CG 4.42Å; Y39-F48 HydrophobicContact CG-CD2 4.46Å; Y39-F48 HydrophobicContact CG-CE2 4.36Å; Y39-F50 HydrophobicContact CD1-CE2 4.28Å; Y39-F50 HydrophobicContact CD1-CZ 4.29Å; Y39-F50 HydrophobicContact CD2-CZ 4.05Å; Y39-F50 HydrophobicContact CG-CE2 4.08Å; Y39-F50 AromaticContact CG-CZ 3.89Å; Y39-F50 HydrophobicContact CG-CZ 3.89Å; Y39-P55 HydrophobicContact CE1-CB 4.17Å
40	C	88.1	Confident	91.7	Very high	51 Å²	51	60.1 Å²	60.1	35%	0.345	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-28.4	-172.1	-65.1	0	0	0	0	113.4	G43 R44	C40-G43 PolarHBondContact O-N 3.46Å; C40-R44 VanDerWaalsContact O-CG 3.31Å; C40-R44 WeakPolarHBondContact O-CG 3.49Å; C40-R44 PolarHBondContact O-N 2.92Å
41	G	88.3	Confident	91.8	Very high	57 Å²	57	59.5 Å²	59.5	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-55.8	-59.8	179	0	0	0	0	0	111.3	Y39	Y39-G41 VanDerWaalsContact C-N 3.26Å; Y39-G41 PolarHBondContact O-N 3.43Å
42	P	90.3	Very high	91.6	Very high	38 Å²	38	56 Å²	56	25%	0.247	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-41.1	170.7	-29.1	42.5	0	0	0	112.8	Y39 R44 R45 K46	Y39-P42 HydrophobicContact CD1-CB 3.81Å; Y39-P42 HydrophobicContact CD1-CG 3.85Å; Y39-P42 HydrophobicContact CE1-CB 3.52Å; Y39-P42 HydrophobicContact CE1-CG 3.39Å; Y39-P42 HydrophobicContact CE2-CG 4.11Å; Y39-P42 HydrophobicContact CG-CG 4.41Å; Y39-P42 WeakPolarHBondContact O-CD 3.3Å; P42-R44 PolarHBondContact O-N 3.36Å; P42-R45 PolarHBondContact O-N 3.27Å; P42-K46 PolarHBondContact O-N 3.08Å
43	G	87.9	Confident	91.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-16	-178.1	0	0	0	0	0	116.9	A13 Y39 C40 F48	A13-G43 VanDerWaalsContact CB-O 3.23Å; A13-G43 WeakPolarHBondContact CB-O 3.45Å; A13-G43 PolarHBondContact N-O 2.91Å; Y39-G43 PolarHBondContact O-N 2.9Å; C40-G43 PolarHBondContact O-N 3.46Å; G43-F48 VanDerWaalsContact CA-CE1 3.4Å
44	R	89.7	Confident	91	Very high	179 Å²	179	61.3 Å²	61.3	68%	0.675	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-24.7	172.6	-78.2	178.5	-175.3	-170.2	2.4	113.9	C40 P42	C40-R44 VanDerWaalsContact O-CG 3.31Å; C40-R44 WeakPolarHBondContact O-CG 3.49Å; C40-R44 PolarHBondContact O-N 2.92Å; P42-R44 PolarHBondContact O-N 3.36Å
45	R	91	Very high	90.9	Very high	214 Å²	214	60.4 Å²	60.4	81%	0.808	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-22.4	-172.1	-63.7	-176.4	-178.6	176.3	0.5	113.9	P42	P42-R45 PolarHBondContact O-N 3.27Å
46	K	93.9	Very high	91	Very high	91 Å²	91	60.2 Å²	60.2	40%	0.396	31%	0.308	S	S	.	.	S	Bend	trans	-136.7	137.9	-170.5	-70.1	-173.3	-174.6	-175.1	0	108.5	A13 P42 A58 L59	A13-K46 WeakPolarHBondContact CB-O 3.49Å; P42-K46 PolarHBondContact O-N 3.08Å; K46-A58 CarbonylContact C-O 3.56Å; K46-A58 WeakPolarHBondContact CA-O 3.23Å; K46-A58 WeakPolarHBondContact CB-O 3.5Å; K46-L59 HydrophobicContact CD-CD2 4.35Å; K46-L59 HydrophobicContact CG-CD2 3.93Å
47	T	93.3	Very high	91.1	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142	167.3	-176.1	0	0	0	0	108.8	A13 A57 A58 T60 E61 L64	A13-T47 WeakPolarHBondContact O-CB 3.39Å; T47-A57 WeakPolarHBondContact O-CA 3.29Å; T47-A58 PolarHBondContact N-O 2.95Å; T47-A58 PolarHBondContact O-N 3.27Å; T47-A58 VanDerWaalsContact O-O 3.13Å; T47-T60 WeakPolarHBondContact CG2-O 3.34Å; T47-E61 HydrophobicContact CG2-CG 4.22Å; T47-L64 HydrophobicContact CG2-CB 4.01Å; T47-L64 HydrophobicContact CG2-CD2 3.85Å; T47-L64 HydrophobicContact CG2-CG 4.5Å; T47-L64 WeakPolarHBondContact OG1-CD2 3.37Å
48	F	95.3	Very high	91.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	-178.8	75.8	-86.1	0	0	0	110.8	C8 C11 V14 Q37 Y39 G43 F50 L56 A57	C8-F48 HydrophobicContact CB-CE1 4.25Å; C8-F48 HydrophobicContact CB-CE2 4.3Å; C8-F48 HydrophobicContact CB-CZ 3.53Å; C11-F48 HydrophobicContact CB-CE1 3.99Å; V14-F48 HydrophobicContact CG2-CD1 3.64Å; V14-F48 HydrophobicContact CG2-CE1 3.63Å; Q37-F48 HydrophobicContact CB-CE2 4.08Å; Q37-F48 HydrophobicContact CB-CZ 4.43Å; Q37-F48 HydrophobicContact CG-CE2 4.43Å; Y39-F48 HydrophobicContact CD1-CB 4.35Å; Y39-F48 HydrophobicContact CD1-CD1 4.25Å; Y39-F48 AromaticContact CD1-CD2 3.66Å; Y39-F48 HydrophobicContact CD1-CD2 3.66Å; Y39-F48 AromaticContact CD1-CE2 3.98Å; Y39-F48 HydrophobicContact CD1-CE2 3.98Å; Y39-F48 AromaticContact CD1-CG 3.81Å; Y39-F48 HydrophobicContact CD1-CG 3.81Å; Y39-F48 HydrophobicContact CD1-CZ 4.36Å; Y39-F48 HydrophobicContact CE1-CB 4.49Å; Y39-F48 HydrophobicContact CE1-CD2 4.45Å; Y39-F48 HydrophobicContact CE1-CG 4.42Å; Y39-F48 HydrophobicContact CG-CD2 4.46Å; Y39-F48 HydrophobicContact CG-CE2 4.36Å; G43-F48 VanDerWaalsContact CA-CE1 3.4Å; F48-F50 HydrophobicContact CD2-CD2 4.11Å; F48-F50 AromaticContact CD2-CE2 3.9Å; F48-F50 HydrophobicContact CD2-CE2 3.9Å; F48-F50 HydrophobicContact CE2-CD2 4.02Å; F48-F50 AromaticContact CE2-CE2 3.67Å; F48-F50 HydrophobicContact CE2-CE2 3.67Å; F48-L56 CarbonylContact C-O 3.57Å; F48-L56 WeakPolarHBondContact CA-O 3.24Å; F48-L56 WeakPolarHBondContact CB-O 3.33Å; F48-A57 HydrophobicContact CB-CB 3.98Å
49	T	94.3	Very high	91.5	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.9	168.8	-173	0	0	0	0	108.1	L6 V51 L56 L64 V68	L6-T49 PolarHBondContact O-OG1 3.02Å; T49-V51 HydrophobicContact CG2-CG2 4.19Å; T49-L56 PolarHBondContact N-O 3.4Å; T49-L56 PolarHBondContact O-N 2.66Å; T49-L64 HydrophobicContact CG2-CD1 4.21Å; T49-L64 HydrophobicContact CG2-CD2 4.22Å; T49-L64 HydrophobicContact CG2-CG 4.28Å; T49-V68 HydrophobicContact CG2-CG2 3.43Å; T49-V68 VanDerWaalsContact CG2-CG2 3.43Å
50	F	93.7	Very high	91.7	Very high	26 Å²	26	56.4 Å²	56.4	11%	0.114	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129	166.9	-71.1	-100.9	0	0	0	108.9	F5 L6 Q37 Y39 F48 R54 P55	F5-F50 CarbonylContact C-O 3.51Å; F5-F50 VanDerWaalsContact CA-O 3.27Å; F5-F50 WeakPolarHBondContact CA-O 3.31Å; L6-F50 HydrophobicContact CB-CB 3.87Å; L6-F50 HydrophobicContact CB-CD2 4.49Å; L6-F50 HydrophobicContact CD1-CB 3.91Å; L6-F50 HydrophobicContact CD1-CG 4.36Å; L6-F50 HydrophobicContact CG-CB 4.03Å; L6-F50 PolarHBondContact N-O 3.43Å; L6-F50 PolarHBondContact O-N 2.98Å; Q37-F50 HydrophobicContact CB-CD2 4.09Å; Q37-F50 HydrophobicContact CB-CE2 3.7Å; Q37-F50 HydrophobicContact CG-CD2 4.15Å; Q37-F50 HydrophobicContact CG-CE2 4.28Å; Y39-F50 HydrophobicContact CD1-CE2 4.28Å; Y39-F50 HydrophobicContact CD1-CZ 4.29Å; Y39-F50 HydrophobicContact CD2-CZ 4.05Å; Y39-F50 HydrophobicContact CG-CE2 4.08Å; Y39-F50 AromaticContact CG-CZ 3.89Å; Y39-F50 HydrophobicContact CG-CZ 3.89Å; F48-F50 HydrophobicContact CD2-CD2 4.11Å; F48-F50 AromaticContact CD2-CE2 3.9Å; F48-F50 HydrophobicContact CD2-CE2 3.9Å; F48-F50 HydrophobicContact CE2-CD2 4.02Å; F48-F50 AromaticContact CE2-CE2 3.67Å; F48-F50 HydrophobicContact CE2-CE2 3.67Å; F50-R54 CarbonylContact C-O 3.57Å; F50-R54 WeakPolarHBondContact CA-O 3.45Å; F50-P55 HydrophobicContact CD1-CB 3.87Å; F50-P55 HydrophobicContact CD1-CG 4.45Å; F50-P55 HydrophobicContact CE1-CB 3.48Å; F50-P55 VanDerWaalsContact CE1-CB 3.48Å; F50-P55 HydrophobicContact CE1-CG 3.98Å; F50-P55 HydrophobicContact CZ-CB 3.91Å
51	V	92.4	Very high	91.8	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.8	171.5	-175.4	0	0	0	0	106.9	F5 T49 N53 R54 L56 V68 Q71 L72	F5-V51 HydrophobicContact CD1-CB 4.38Å; F5-V51 HydrophobicContact CD1-CG1 4.26Å; F5-V51 HydrophobicContact CD1-CG2 3.93Å; F5-V51 HydrophobicContact CE1-CB 4.33Å; F5-V51 HydrophobicContact CE1-CG1 3.84Å; F5-V51 HydrophobicContact CE1-CG2 3.86Å; T49-V51 HydrophobicContact CG2-CG2 4.19Å; V51-N53 PolarHBondContact O-N 2.67Å; V51-R54 PolarHBondContact N-O 2.86Å; V51-R54 VanDerWaalsContact O-CB 3.25Å; V51-R54 WeakPolarHBondContact O-CB 3.21Å; V51-R54 PolarHBondContact O-N 3.43Å; V51-L56 HydrophobicContact CB-CD1 4.46Å; V51-L56 HydrophobicContact CG2-CD1 3.68Å; V51-L56 HydrophobicContact CG2-CG 4.46Å; V51-V68 HydrophobicContact CG2-CB 4.46Å; V51-V68 HydrophobicContact CG2-CG1 4.03Å; V51-V68 HydrophobicContact CG2-CG2 4.01Å; V51-Q71 HydrophobicContact CB-CG 4.44Å; V51-Q71 HydrophobicContact CG1-CG 4.4Å; V51-L72 HydrophobicContact CG1-CD2 4.01Å
52	N	89.1	Confident	92.1	Very high	37 Å²	37	60.1 Å²	60.1	20%	0.198	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	49.3	179.8	-57.3	-47.1	0	0	0	112.9	N3 T4 R54 R76	N3-N52 WeakPolarHBondContact CA-OD1 3.38Å; N3-N52 PolarHBondContact OD1-ND2 3.16Å; T4-N52 PolarHBondContact N-OD1 2.97Å; T4-N52 PolarHBondContact O-N 3.21Å; N52-R54 PolarHBondContact O-N 3.46Å; N52-R76 PolarHBondContact ND2-NH2 2.97Å; N52-R76 VanDerWaalsContact ND2-NH2 3.11Å; N52-R76 PolarHBondContact OD1-NH2 3.27Å
53	N	86.1	Confident	92.3	Very high	113 Å²	113	62.1 Å²	62.1	60%	0.604	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	5.6	-174.8	-51.9	-50.4	0	0	0	115.9	V51	V51-N53 PolarHBondContact O-N 2.67Å
54	R	88.7	Confident	92.7	Very high	94 Å²	94	62.1 Å²	62.1	36%	0.355	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.7	173.1	-162.3	175.9	-162.1	-104.2	-8.9	110.6	F50 V51 N52 L56	F50-R54 CarbonylContact C-O 3.57Å; F50-R54 WeakPolarHBondContact CA-O 3.45Å; V51-R54 PolarHBondContact N-O 2.86Å; V51-R54 VanDerWaalsContact O-CB 3.25Å; V51-R54 WeakPolarHBondContact O-CB 3.21Å; V51-R54 PolarHBondContact O-N 3.43Å; N52-R54 PolarHBondContact O-N 3.46Å; R54-L56 PolarHBondContact O-N 3.3Å
55	P	92.2	Very high	92.9	Very high	56 Å²	56	55.1 Å²	55.1	36%	0.364	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.4	178.7	25.2	-30.3	0	0	0	111.2	Y39 F50	Y39-P55 HydrophobicContact CE1-CB 4.17Å; F50-P55 HydrophobicContact CD1-CB 3.87Å; F50-P55 HydrophobicContact CD1-CG 4.45Å; F50-P55 HydrophobicContact CE1-CB 3.48Å; F50-P55 VanDerWaalsContact CE1-CB 3.48Å; F50-P55 HydrophobicContact CE1-CG 3.98Å; F50-P55 HydrophobicContact CZ-CB 3.91Å
56	L	94.1	Very high	93.1	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132	167.8	-63.1	178	0	0	0	108.8	F48 T49 V51 R54 L64 K67 V68 Q71	F48-L56 CarbonylContact C-O 3.57Å; F48-L56 WeakPolarHBondContact CA-O 3.24Å; F48-L56 WeakPolarHBondContact CB-O 3.33Å; T49-L56 PolarHBondContact N-O 3.4Å; T49-L56 PolarHBondContact O-N 2.66Å; V51-L56 HydrophobicContact CB-CD1 4.46Å; V51-L56 HydrophobicContact CG2-CD1 3.68Å; V51-L56 HydrophobicContact CG2-CG 4.46Å; R54-L56 PolarHBondContact O-N 3.3Å; L56-L64 HydrophobicContact CB-CD1 4.04Å; L56-L64 WeakPolarHBondContact O-CD1 3.32Å; L56-K67 HydrophobicContact CD1-CB 4.45Å; L56-V68 HydrophobicContact CD1-CB 4.35Å; L56-V68 HydrophobicContact CD1-CG2 3.8Å; L56-Q71 HydrophobicContact CD1-CB 3.82Å; L56-Q71 HydrophobicContact CD1-CG 4.2Å
57	A	94.4	Very high	93.2	Very high	26 Å²	26	50.3 Å²	50.3	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.5	178.2	0	0	0	0	0	110.9	T47 F48 K67	T47-A57 WeakPolarHBondContact O-CA 3.29Å; F48-A57 HydrophobicContact CB-CB 3.98Å; A57-K67 PolarHBondContact O-NZ 3.29Å
58	A	95.5	Very high	93.3	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165	176.1	0	0	0	0	0	110.9	K46 T47 E63 L64 K67	K46-A58 CarbonylContact C-O 3.56Å; K46-A58 WeakPolarHBondContact CA-O 3.23Å; K46-A58 WeakPolarHBondContact CB-O 3.5Å; T47-A58 PolarHBondContact N-O 2.95Å; T47-A58 PolarHBondContact O-N 3.27Å; T47-A58 VanDerWaalsContact O-O 3.13Å; A58-E63 HydrophobicContact CB-CB 3.61Å; A58-L64 HydrophobicContact CB-CB 3.91Å; A58-L64 HydrophobicContact CB-CD1 4.43Å; A58-K67 HydrophobicContact CB-CD 4.37Å
59	L	93.1	Very high	93.1	Very high	117 Å²	117	51.9 Å²	51.9	61%	0.613	26%	0.264	S	S	*	.	S	Bend	trans	-74.5	-39.2	-179.8	-72.9	165.7	0	0	0	110.7	K46 E63	K46-L59 HydrophobicContact CD-CD2 4.35Å; K46-L59 HydrophobicContact CG-CD2 3.93Å; L59-E63 PolarHBondContact N-OE2 3.41Å
60	T	93.4	Very high	93	Very high	61 Å²	61	56.4 Å²	56.4	37%	0.374	29%	0.285	S	S	.	.	S	Bend	trans	-113	158.4	178.5	69.3	0	0	0	0	111.1	T47 E62 E63 L64	T47-T60 WeakPolarHBondContact CG2-O 3.34Å; T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 3.23Å; T60-E63 VanDerWaalsContact OG1-CG 3.3Å; T60-E63 WeakPolarHBondContact OG1-CG 3.44Å; T60-E63 PolarHBondContact OG1-N 3.44Å; T60-L64 PolarHBondContact O-N 3.27Å; T60-L64 VanDerWaalsContact O-N 3.13Å
61	E	91.4	Very high	92.8	Very high	36 Å²	36	57 Å²	57	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-32.1	174.9	-70.6	-174.6	178.6	0	0	112.7	N15 T18 K22 T47 L64 I65	N15-E61 WeakPolarHBondContact CB-OE1 3.45Å; T18-E61 WeakPolarHBondContact CB-OE2 3.41Å; T18-E61 PolarHBondContact OG1-OE1 3.3Å; T18-E61 PolarHBondContact OG1-OE2 2.64Å; K22-E61 WeakPolarHBondContact CE-OE2 3.42Å; K22-E61 IonicContact NZ-OE2 2.72Å; K22-E61 PolarHBondContact NZ-OE2 2.9Å; T47-E61 HydrophobicContact CG2-CG 4.22Å; E61-L64 WeakPolarHBondContact O-CB 3.41Å; E61-L64 PolarHBondContact O-N 2.87Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.31Å
62	E	93.7	Very high	92.6	Very high	151 Å²	151	59.2 Å²	59.2	71%	0.706	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-49.2	-179.5	-69.3	163.8	-171.9	0	0	110.9	T60 L64 I65 E66	T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 3.23Å; E62-L64 PolarHBondContact O-N 2.89Å; E62-I65 PolarHBondContact O-N 3.32Å; E62-E66 PolarHBondContact O-N 3.07Å
63	E	95.6	Very high	92.5	Very high	80 Å²	80	65.4 Å²	65.4	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-36.5	172.5	-71.9	176	-178.8	0	0	111.8	A58 L59 T60 K67	A58-E63 HydrophobicContact CB-CB 3.61Å; L59-E63 PolarHBondContact N-OE2 3.41Å; T60-E63 VanDerWaalsContact OG1-CG 3.3Å; T60-E63 WeakPolarHBondContact OG1-CG 3.44Å; T60-E63 PolarHBondContact OG1-N 3.44Å; E63-K67 WeakPolarHBondContact O-CG 3.43Å; E63-K67 PolarHBondContact O-N 2.87Å; E63-K67 VanDerWaalsContact O-N 3.08Å
64	L	95.2	Very high	92.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-49	177.6	-177	64.9	0	0	0	110.7	L19 T47 T49 L56 A58 T60 E61 E62 E66 K67 V68	L19-L64 HydrophobicContact CD1-CD2 3.82Å; L19-L64 HydrophobicContact CD2-CD2 4.29Å; T47-L64 HydrophobicContact CG2-CB 4.01Å; T47-L64 HydrophobicContact CG2-CD2 3.85Å; T47-L64 HydrophobicContact CG2-CG 4.5Å; T47-L64 WeakPolarHBondContact OG1-CD2 3.37Å; T49-L64 HydrophobicContact CG2-CD1 4.21Å; T49-L64 HydrophobicContact CG2-CD2 4.22Å; T49-L64 HydrophobicContact CG2-CG 4.28Å; L56-L64 HydrophobicContact CB-CD1 4.04Å; L56-L64 WeakPolarHBondContact O-CD1 3.32Å; A58-L64 HydrophobicContact CB-CB 3.91Å; A58-L64 HydrophobicContact CB-CD1 4.43Å; T60-L64 PolarHBondContact O-N 3.27Å; T60-L64 VanDerWaalsContact O-N 3.13Å; E61-L64 WeakPolarHBondContact O-CB 3.41Å; E61-L64 PolarHBondContact O-N 2.87Å; E62-L64 PolarHBondContact O-N 2.89Å; L64-E66 VanDerWaalsContact C-N 3.28Å; L64-E66 PolarHBondContact O-N 3.41Å; L64-K67 PolarHBondContact O-N 3.37Å; L64-V68 HydrophobicContact CG-CG2 4.45Å; L64-V68 VanDerWaalsContact O-CG2 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.27Å; L64-V68 PolarHBondContact O-N 2.87Å
65	I	95.2	Very high	91.8	Very high	31 Å²	31	67 Å²	67	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-39.6	178.3	-70.8	-36.4	0	0	0	111.2	L19 K22 L23 L26 E61 E62 K67 V68 S69	L19-I65 HydrophobicContact CD1-CD1 3.98Å; K22-I65 HydrophobicContact CB-CD1 3.83Å; K22-I65 HydrophobicContact CB-CG1 3.98Å; K22-I65 HydrophobicContact CD-CD1 4.47Å; K22-I65 HydrophobicContact CD-CG1 3.93Å; K22-I65 HydrophobicContact CG-CG1 4.44Å; L23-I65 HydrophobicContact CD2-CD1 4.11Å; L26-I65 HydrophobicContact CD1-CB 4.47Å; L26-I65 HydrophobicContact CD1-CD1 3.94Å; L26-I65 HydrophobicContact CD1-CG1 4.49Å; L26-I65 HydrophobicContact CD1-CG2 3.73Å; L26-I65 HydrophobicContact CD2-CG2 4.2Å; L26-I65 HydrophobicContact CG-CG2 4.4Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.31Å; E62-I65 PolarHBondContact O-N 3.32Å; I65-K67 PolarHBondContact O-N 2.79Å; I65-V68 PolarHBondContact O-N 3.31Å; I65-S69 WeakPolarHBondContact O-CB 3.33Å; I65-S69 PolarHBondContact O-N 2.97Å
66	E	95.4	Very high	91	Very high	118 Å²	118	68.4 Å²	68.4	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-47.1	175.4	-164.3	-171.1	163.7	0	0	111.3	E62 L64 V68 S69 Q70	E62-E66 PolarHBondContact O-N 3.07Å; L64-E66 VanDerWaalsContact C-N 3.28Å; L64-E66 PolarHBondContact O-N 3.41Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.35Å; E66-S69 PolarHBondContact O-N 2.84Å; E66-Q70 WeakPolarHBondContact O-CG 3.47Å; E66-Q70 PolarHBondContact O-N 2.93Å; E66-Q70 PolarHBondContact OE1-NE2 3.02Å
67	K	95.3	Very high	90.2	Very high	86 Å²	86	71 Å²	71	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-38.5	175.6	-70.6	176.3	-168.3	-179.4	0	112.5	L56 A57 A58 E63 L64 I65 Q70 Q71	L56-K67 HydrophobicContact CD1-CB 4.45Å; A57-K67 PolarHBondContact O-NZ 3.29Å; A58-K67 HydrophobicContact CB-CD 4.37Å; E63-K67 WeakPolarHBondContact O-CG 3.43Å; E63-K67 PolarHBondContact O-N 2.87Å; E63-K67 VanDerWaalsContact O-N 3.08Å; L64-K67 PolarHBondContact O-N 3.37Å; I65-K67 PolarHBondContact O-N 2.79Å; K67-Q70 PolarHBondContact O-N 3.11Å; K67-Q71 WeakPolarHBondContact O-CB 3.39Å; K67-Q71 PolarHBondContact O-N 2.74Å
68	V	94.5	Very high	89.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.6	-48.7	176.3	171.4	0	0	0	0	110.1	F5 L23 L26 T49 V51 L56 L64 I65 E66 Q70 Q71 L72	F5-V68 HydrophobicContact CE1-CG1 3.94Å; F5-V68 HydrophobicContact CZ-CG1 4.42Å; L23-V68 HydrophobicContact CD2-CG1 4.04Å; L23-V68 HydrophobicContact CD2-CG2 4.44Å; L26-V68 HydrophobicContact CD1-CG1 4.11Å; T49-V68 HydrophobicContact CG2-CG2 3.43Å; T49-V68 VanDerWaalsContact CG2-CG2 3.43Å; V51-V68 HydrophobicContact CG2-CB 4.46Å; V51-V68 HydrophobicContact CG2-CG1 4.03Å; V51-V68 HydrophobicContact CG2-CG2 4.01Å; L56-V68 HydrophobicContact CD1-CB 4.35Å; L56-V68 HydrophobicContact CD1-CG2 3.8Å; L64-V68 HydrophobicContact CG-CG2 4.45Å; L64-V68 VanDerWaalsContact O-CG2 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.27Å; L64-V68 PolarHBondContact O-N 2.87Å; I65-V68 PolarHBondContact O-N 3.31Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.35Å; V68-Q70 VanDerWaalsContact C-N 3.34Å; V68-Q70 PolarHBondContact O-N 3.19Å; V68-Q71 WeakPolarHBondContact O-CB 3.33Å; V68-Q71 PolarHBondContact O-N 3.19Å; V68-L72 HydrophobicContact CG1-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CG 4.36Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3.23Å
69	S	92.2	Very high	88.8	Confident	37 Å²	37	80 Å²	80	26%	0.259	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-45.1	176.8	-178	0	0	0	0	111.7	I65 E66 Q71 L72 K73	I65-S69 WeakPolarHBondContact O-CB 3.33Å; I65-S69 PolarHBondContact O-N 2.97Å; E66-S69 PolarHBondContact O-N 2.84Å; S69-Q71 VanDerWaalsContact C-N 3.3Å; S69-Q71 PolarHBondContact O-N 2.79Å; S69-L72 PolarHBondContact O-N 2.82Å; S69-K73 WeakPolarHBondContact O-CG 3.25Å; S69-K73 PolarHBondContact O-N 3.07Å
70	Q	92	Very high	88.1	Confident	94 Å²	94	78.1 Å²	78.1	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-37.5	174.7	-70.1	179.3	21.6	0	0	112.3	E66 K67 V68 K73 K74	E66-Q70 WeakPolarHBondContact O-CG 3.47Å; E66-Q70 PolarHBondContact O-N 2.93Å; E66-Q70 PolarHBondContact OE1-NE2 3.02Å; K67-Q70 PolarHBondContact O-N 3.11Å; V68-Q70 VanDerWaalsContact C-N 3.34Å; V68-Q70 PolarHBondContact O-N 3.19Å; Q70-K73 PolarHBondContact O-N 2.93Å; Q70-K74 PolarHBondContact O-N 2.87Å
71	Q	89.8	Confident	87.4	Confident	38 Å²	38	77.6 Å²	77.6	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-69.3	-37.8	177.6	-175	60.5	32.3	0	0	112.4	V51 L56 K67 V68 S69 K73 K74	V51-Q71 HydrophobicContact CB-CG 4.44Å; V51-Q71 HydrophobicContact CG1-CG 4.4Å; L56-Q71 HydrophobicContact CD1-CB 3.82Å; L56-Q71 HydrophobicContact CD1-CG 4.2Å; K67-Q71 WeakPolarHBondContact O-CB 3.39Å; K67-Q71 PolarHBondContact O-N 2.74Å; V68-Q71 WeakPolarHBondContact O-CB 3.33Å; V68-Q71 PolarHBondContact O-N 3.19Å; S69-Q71 VanDerWaalsContact C-N 3.3Å; S69-Q71 PolarHBondContact O-N 2.79Å; Q71-K73 VanDerWaalsContact C-N 3.29Å; Q71-K73 PolarHBondContact O-N 2.95Å; Q71-K74 PolarHBondContact O-N 3.48Å
72	L	87.7	Confident	87.1	Confident	51 Å²	51	80.7 Å²	80.7	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-30.3	177.4	-69.8	171.1	0	0	0	112.5	N3 F5 V51 V68 S69 K74	N3-L72 HydrophobicContact CB-CD2 4.35Å; N3-L72 WeakPolarHBondContact ND2-CD2 3.16Å; F5-L72 HydrophobicContact CE1-CD2 4.37Å; F5-L72 HydrophobicContact CZ-CD1 4.19Å; F5-L72 HydrophobicContact CZ-CD2 4.25Å; V51-L72 HydrophobicContact CG1-CD2 4.01Å; V68-L72 HydrophobicContact CG1-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CG 4.36Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3.23Å; S69-L72 PolarHBondContact O-N 2.82Å; L72-K74 VanDerWaalsContact C-N 3.32Å
73	K	86.3	Confident	86.8	Confident	166 Å²	166	79.4 Å²	79.4	72%	0.722	38%	0.384	S	S	*	.	H	α-helix	trans	-73.2	-23.3	175.1	-69.3	175.1	-174.2	-178.1	0	113.3	S69 Q70 Q71	S69-K73 WeakPolarHBondContact O-CG 3.25Å; S69-K73 PolarHBondContact O-N 3.07Å; Q70-K73 PolarHBondContact O-N 2.93Å; Q71-K73 VanDerWaalsContact C-N 3.29Å; Q71-K73 PolarHBondContact O-N 2.95Å
74	K	82.7	Confident	86.2	Confident	119 Å²	119	78.3 Å²	78.3	52%	0.517	38%	0.381	S	S	.	.	S	Bend	trans	-74.3	131	178.7	-71.7	176.8	-176.9	-177	0	108.8	Q70 Q71 L72 R76	Q70-K74 PolarHBondContact O-N 2.87Å; Q71-K74 PolarHBondContact O-N 3.48Å; L72-K74 VanDerWaalsContact C-N 3.32Å; K74-R76 PolarHBondContact O-N 2.93Å
75	P	77.9	Confident	85.7	Confident	123 Å²	123	85.5 Å²	85.5	80%	0.799	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-58.9	138.6	173.1	25.3	-32.2	0	0	0	108.9	D77	P75-D77 PolarHBondContact O-N 3.34Å
76	R	74.6	Confident	85.5	Confident	84 Å²	84	89.7 Å²	89.7	32%	0.317	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-61.4	122.3	169.4	-76.2	-177.1	162.8	120.3	-18.7	107.3	K2 N3 N52 K74 P78 E81	K2-R76 PolarHBondContact O-NH2 3.3Å; N3-R76 PolarHBondContact OD1-NH1 3.37Å; N3-R76 PolarHBondContact OD1-NH2 2.85Å; N52-R76 PolarHBondContact ND2-NH2 2.97Å; N52-R76 VanDerWaalsContact ND2-NH2 3.11Å; N52-R76 PolarHBondContact OD1-NH2 3.27Å; K74-R76 PolarHBondContact O-N 2.93Å; R76-P78 WeakPolarHBondContact O-CD 3.34Å; R76-E81 IonicContact NE-OE2 3.85Å
77	D	77.6	Confident	85.2	Confident	71 Å²	71	90.2 Å²	90.2	38%	0.38	42%	0.422	S	S	.	.			trans	-76.6	110.7	170	-178.5	-19.3	0	0	0	107.9	P75 E79 E80 E81 R83	P75-D77 PolarHBondContact O-N 3.34Å; D77-E79 PolarHBondContact O-N 2.9Å; D77-E79 WeakPolarHBondContact OD1-CA 3.34Å; D77-E79 VanDerWaalsContact OD1-CB 3.31Å; D77-E79 WeakPolarHBondContact OD1-CB 3.12Å; D77-E79 PolarHBondContact OD1-N 3.48Å; D77-E80 HydrophobicContact CB-CB 3.87Å; D77-E80 PolarHBondContact O-N 2.97Å; D77-E80 PolarHBondContact OD1-N 2.93Å; D77-E81 PolarHBondContact O-N 3.41Å; D77-E81 VanDerWaalsContact O-N 3.07Å; D77-R83 IonicContact OD2-NH2 3.43Å
78	P	77.6	Confident	84.8	Confident	101 Å²	101	92.2 Å²	92.2	66%	0.656	43%	0.432	S	S	*	.	H	α-helix	trans	-60.2	-32.2	-179.2	-21.4	34.7	0	0	0	112.4	R76 E81 E82	R76-P78 WeakPolarHBondContact O-CD 3.34Å; P78-E81 PolarHBondContact O-N 2.97Å; P78-E82 WeakPolarHBondContact O-CB 3.45Å; P78-E82 PolarHBondContact O-N 2.85Å
79	E	82.6	Confident	84.7	Confident	115 Å²	115	97.4 Å²	97.4	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-71.2	-39.6	178.2	-59.8	-174	176.6	0	0	111.5	D77 E81 E82 R83	D77-E79 PolarHBondContact O-N 2.9Å; D77-E79 WeakPolarHBondContact OD1-CA 3.34Å; D77-E79 VanDerWaalsContact OD1-CB 3.31Å; D77-E79 WeakPolarHBondContact OD1-CB 3.12Å; D77-E79 PolarHBondContact OD1-N 3.48Å; E79-E81 VanDerWaalsContact C-N 3.3Å; E79-E82 PolarHBondContact O-N 3.42Å; E79-R83 WeakPolarHBondContact O-CB 3.2Å; E79-R83 VanDerWaalsContact O-CG 3.24Å; E79-R83 WeakPolarHBondContact O-CG 3.4Å; E79-R83 PolarHBondContact O-N 3.47Å; E79-R83 PolarHBondContact O-NE 3.46Å; E79-R83 IonicContact OE2-CZ 3.38Å; E79-R83 IonicContact OE2-NH1 3.58Å; E79-R83 PolarHBondContact OE2-NH1 3.49Å; E79-R83 IonicContact OE2-NH2 2.67Å; E79-R83 PolarHBondContact OE2-NH2 3.28Å
80	E	79.3	Confident	84.7	Confident	78 Å²	78	100.2 Å²	100.2	36%	0.364	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-42.4	174.6	-168.6	-176.3	167.5	0	0	110.4	D77 R83 L84	D77-E80 HydrophobicContact CB-CB 3.87Å; D77-E80 PolarHBondContact O-N 2.97Å; D77-E80 PolarHBondContact OD1-N 2.93Å; E80-R83 PolarHBondContact O-N 3.18Å; E80-L84 HydrophobicContact CG-CD1 4.24Å; E80-L84 WeakPolarHBondContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.12Å
81	E	79.2	Confident	84.7	Confident	51 Å²	51	103.6 Å²	103.6	24%	0.238	47%	0.474	C	S	.	.	H	α-helix	trans	-65.2	-43	177.4	-162.3	176	105.2	0	0	111.7	R76 D77 P78 E79 L84 R85	R76-E81 IonicContact NE-OE2 3.85Å; D77-E81 PolarHBondContact O-N 3.41Å; D77-E81 VanDerWaalsContact O-N 3.07Å; P78-E81 PolarHBondContact O-N 2.97Å; E79-E81 VanDerWaalsContact C-N 3.3Å; E81-L84 WeakPolarHBondContact O-CB 3.39Å; E81-L84 PolarHBondContact O-N 3.25Å; E81-R85 VanDerWaalsContact O-CG 3.3Å; E81-R85 WeakPolarHBondContact O-CG 3.31Å; E81-R85 PolarHBondContact O-N 3.41Å; E81-R85 IonicContact OE1-CZ 3.13Å; E81-R85 IonicContact OE1-NE 2.66Å; E81-R85 PolarHBondContact OE1-NE 3.24Å; E81-R85 IonicContact OE1-NH2 3.42Å; E81-R85 PolarHBondContact OE1-NH2 2.89Å
82	E	84.3	Confident	84.9	Confident	100 Å²	100	107.5 Å²	107.5	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-62.9	-43.4	174.9	-167.2	-172.6	161.7	0	0	111.5	P78 E79 L84 R85 K86	P78-E82 WeakPolarHBondContact O-CB 3.45Å; P78-E82 PolarHBondContact O-N 2.85Å; E79-E82 PolarHBondContact O-N 3.42Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.29Å; E82-R85 PolarHBondContact O-N 3.23Å; E82-K86 WeakPolarHBondContact O-CG 3.33Å; E82-K86 PolarHBondContact O-N 3.45Å; E82-K86 WeakPolarHBondContact OE1-CE 3.23Å; E82-K86 IonicContact OE1-NZ 2.93Å; E82-K86 PolarHBondContact OE1-NZ 3.37Å
83	R	86.6	Confident	85.2	Confident	124 Å²	124	113.7 Å²	113.7	47%	0.468	51%	0.511	S	S	.	.	H	α-helix	trans	-59	-40.9	173.9	-77	-176.7	-77.1	-105.5	2.7	111.5	D77 E79 E80 R87	D77-R83 IonicContact OD2-NH2 3.43Å; E79-R83 WeakPolarHBondContact O-CB 3.2Å; E79-R83 VanDerWaalsContact O-CG 3.24Å; E79-R83 WeakPolarHBondContact O-CG 3.4Å; E79-R83 PolarHBondContact O-N 3.47Å; E79-R83 PolarHBondContact O-NE 3.46Å; E79-R83 IonicContact OE2-CZ 3.38Å; E79-R83 IonicContact OE2-NH1 3.58Å; E79-R83 PolarHBondContact OE2-NH1 3.49Å; E79-R83 IonicContact OE2-NH2 2.67Å; E79-R83 PolarHBondContact OE2-NH2 3.28Å; E80-R83 PolarHBondContact O-N 3.18Å; R83-R87 WeakPolarHBondContact O-CG 3.09Å; R83-R87 PolarHBondContact O-N 3.03Å; R83-R87 VanDerWaalsContact O-N 3.16Å
84	L	83.7	Confident	85.5	Confident	57 Å²	57	111 Å²	111	30%	0.298	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-45.1	176.1	-78.2	163.7	0	0	0	112	E80 E81 E82 R87 H88	E80-L84 HydrophobicContact CG-CD1 4.24Å; E80-L84 WeakPolarHBondContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.12Å; E81-L84 WeakPolarHBondContact O-CB 3.39Å; E81-L84 PolarHBondContact O-N 3.25Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.29Å; L84-R87 PolarHBondContact O-N 2.97Å; L84-H88 PolarHBondContact O-N 2.88Å
85	R	86.1	Confident	86	Confident	151 Å²	151	111.7 Å²	111.7	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-58.7	-49.2	176.5	-72.1	174.7	-173.6	-155.3	3.8	111.3	E81 E82 R87 H88 E89	E81-R85 VanDerWaalsContact O-CG 3.3Å; E81-R85 WeakPolarHBondContact O-CG 3.31Å; E81-R85 PolarHBondContact O-N 3.41Å; E81-R85 IonicContact OE1-CZ 3.13Å; E81-R85 IonicContact OE1-NE 2.66Å; E81-R85 PolarHBondContact OE1-NE 3.24Å; E81-R85 IonicContact OE1-NH2 3.42Å; E81-R85 PolarHBondContact OE1-NH2 2.89Å; E82-R85 PolarHBondContact O-N 3.23Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 2.88Å; R85-H88 WeakPolarHBondContact O-CB 3.5Å; R85-H88 PolarHBondContact O-N 3.07Å; R85-H88 VanDerWaalsContact O-N 3.08Å; R85-E89 WeakPolarHBondContact O-CG 3.36Å; R85-E89 PolarHBondContact O-N 3.26Å
86	K	90.2	Very high	86.8	Confident	119 Å²	119	110.7 Å²	110.7	52%	0.517	48%	0.483	S	S	.	.	H	α-helix	trans	-56.9	-44.7	176.7	-73.9	177.6	-177.9	167.5	0	112.2	E82 H88 E89 E90	E82-K86 WeakPolarHBondContact O-CG 3.33Å; E82-K86 PolarHBondContact O-N 3.45Å; E82-K86 WeakPolarHBondContact OE1-CE 3.23Å; E82-K86 IonicContact OE1-NZ 2.93Å; E82-K86 PolarHBondContact OE1-NZ 3.37Å; K86-H88 VanDerWaalsContact C-N 3.35Å; K86-H88 PolarHBondContact O-N 2.96Å; K86-E89 PolarHBondContact O-N 3.07Å; K86-E90 WeakPolarHBondContact O-CB 3.25Å; K86-E90 PolarHBondContact O-N 3.47Å
87	R	88.2	Confident	87.8	Confident	129 Å²	129	110.7 Å²	110.7	49%	0.487	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.8	-75.7	-170.8	-65.2	-166.8	-1.6	112.7	R83 L84 R85 R91	R83-R87 WeakPolarHBondContact O-CG 3.09Å; R83-R87 PolarHBondContact O-N 3.03Å; R83-R87 VanDerWaalsContact O-N 3.16Å; L84-R87 PolarHBondContact O-N 2.97Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 2.88Å; R87-R91 VanDerWaalsContact O-CG 3.31Å; R87-R91 WeakPolarHBondContact O-CG 3.13Å; R87-R91 PolarHBondContact O-N 3.29Å
88	H	88.7	Confident	88.7	Confident	128 Å²	128	113.5 Å²	113.5	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-67.5	-44.6	178	-174.1	-91.8	0	0	0	111.5	L84 R85 K86 E90 R91 K92	L84-H88 PolarHBondContact O-N 2.88Å; R85-H88 WeakPolarHBondContact O-CB 3.5Å; R85-H88 PolarHBondContact O-N 3.07Å; R85-H88 VanDerWaalsContact O-N 3.08Å; K86-H88 VanDerWaalsContact C-N 3.35Å; K86-H88 PolarHBondContact O-N 2.96Å; H88-E90 VanDerWaalsContact C-N 3.34Å; H88-E90 PolarHBondContact O-N 3.01Å; H88-R91 PolarHBondContact O-N 3.32Å; H88-K92 PolarHBondContact O-N 2.95Å
89	E	90.8	Very high	89.6	Confident	110 Å²	110	112.7 Å²	112.7	51%	0.514	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-43.2	174.4	-71.6	179.4	170.9	0	0	112	R85 K86 R91 K92 R93	R85-E89 WeakPolarHBondContact O-CG 3.36Å; R85-E89 PolarHBondContact O-N 3.26Å; K86-E89 PolarHBondContact O-N 3.07Å; E89-R91 PolarHBondContact O-N 3.18Å; E89-K92 WeakPolarHBondContact O-CB 3.22Å; E89-K92 PolarHBondContact O-N 3.49Å; E89-R93 WeakPolarHBondContact O-CG 3.32Å; E89-R93 PolarHBondContact O-N 3.01Å
90	E	93.6	Very high	90.2	Very high	96 Å²	96	114.4 Å²	114.4	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-41.5	176.6	-166.9	-160.6	172.3	0	0	112.1	K86 H88 K92 R93 R94	K86-E90 WeakPolarHBondContact O-CB 3.25Å; K86-E90 PolarHBondContact O-N 3.47Å; H88-E90 VanDerWaalsContact C-N 3.34Å; H88-E90 PolarHBondContact O-N 3.01Å; E90-K92 VanDerWaalsContact C-N 3.34Å; E90-R93 PolarHBondContact O-N 2.92Å; E90-R94 VanDerWaalsContact CD-NH1 3.29Å; E90-R94 PolarHBondContact O-N 3.4Å; E90-R94 IonicContact OE1-CZ 3.36Å; E90-R94 IonicContact OE1-NH1 2.67Å; E90-R94 PolarHBondContact OE1-NH1 3.32Å; E90-R94 IonicContact OE1-NH2 3.88Å; E90-R94 PolarHBondContact OE1-NH2 2.88Å; E90-R94 IonicContact OE2-CZ 3.87Å; E90-R94 IonicContact OE2-NH1 3.77Å; E90-R94 IonicContact OE2-NH2 3.32Å; E90-R94 PolarHBondContact OE2-NH2 3.09Å; E90-R94 VanDerWaalsContact OE2-NH2 3.13Å
91	R	91.8	Very high	91	Very high	164 Å²	164	115.6 Å²	115.6	62%	0.619	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-41.8	173.5	-75.3	174.4	-179	179.7	0.3	111.8	R87 H88 E89 R94 K95	R87-R91 VanDerWaalsContact O-CG 3.31Å; R87-R91 WeakPolarHBondContact O-CG 3.13Å; R87-R91 PolarHBondContact O-N 3.29Å; H88-R91 PolarHBondContact O-N 3.32Å; E89-R91 PolarHBondContact O-N 3.18Å; R91-R94 PolarHBondContact O-N 3.33Å; R91-K95 PolarHBondContact O-N 2.84Å
92	K	93	Very high	91.8	Very high	121 Å²	121	117.7 Å²	117.7	53%	0.526	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-47.4	176.6	-175	177.5	173.9	-177.4	0	111	H88 E89 E90 R94 K95 E96	H88-K92 PolarHBondContact O-N 2.95Å; E89-K92 WeakPolarHBondContact O-CB 3.22Å; E89-K92 PolarHBondContact O-N 3.49Å; E90-K92 VanDerWaalsContact C-N 3.34Å; K92-R94 PolarHBondContact O-N 3.47Å; K92-K95 PolarHBondContact O-N 3.27Å; K92-E96 WeakPolarHBondContact CE-OE1 3.45Å; K92-E96 WeakPolarHBondContact O-CG 3.43Å; K92-E96 PolarHBondContact O-N 2.99Å
93	R	93.7	Very high	92.3	Very high	181 Å²	181	119.1 Å²	119.1	68%	0.683	51%	0.511	S	S	*	.	H	α-helix	trans	-58.5	-45.3	176.2	-70	177.2	-173.2	-135.6	3.4	112.6	E89 E90 K95 E96 E97	E89-R93 WeakPolarHBondContact O-CG 3.32Å; E89-R93 PolarHBondContact O-N 3.01Å; E90-R93 PolarHBondContact O-N 2.92Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.23Å; R93-E96 PolarHBondContact O-N 3.4Å; R93-E97 PolarHBondContact O-N 3.37Å
94	R	93.9	Very high	92.8	Very high	109 Å²	109	117.5 Å²	117.5	41%	0.411	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-42.1	176.3	-79.7	-171	-75.5	-111.8	-12.9	112.3	E90 R91 K92 E97 Q98	E90-R94 VanDerWaalsContact CD-NH1 3.29Å; E90-R94 PolarHBondContact O-N 3.4Å; E90-R94 IonicContact OE1-CZ 3.36Å; E90-R94 IonicContact OE1-NH1 2.67Å; E90-R94 PolarHBondContact OE1-NH1 3.32Å; E90-R94 IonicContact OE1-NH2 3.88Å; E90-R94 PolarHBondContact OE1-NH2 2.88Å; E90-R94 IonicContact OE2-CZ 3.87Å; E90-R94 IonicContact OE2-NH1 3.77Å; E90-R94 IonicContact OE2-NH2 3.32Å; E90-R94 PolarHBondContact OE2-NH2 3.09Å; E90-R94 VanDerWaalsContact OE2-NH2 3.13Å; R91-R94 PolarHBondContact O-N 3.33Å; K92-R94 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.05Å; R94-Q98 WeakPolarHBondContact O-CG 3.46Å; R94-Q98 PolarHBondContact O-N 3.31Å
95	K	93.4	Very high	93.3	Very high	133 Å²	133	121.6 Å²	121.6	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-46.8	177.8	-172.8	178.8	178.2	-177.5	0	111.3	R91 K92 R93 E97 Q98 D99	R91-K95 PolarHBondContact O-N 2.84Å; K92-K95 PolarHBondContact O-N 3.27Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.23Å; K95-E97 VanDerWaalsContact C-N 3.31Å; K95-E97 PolarHBondContact O-N 2.89Å; K95-Q98 PolarHBondContact O-N 3.4Å; K95-D99 WeakPolarHBondContact O-CB 3.4Å; K95-D99 VanDerWaalsContact O-CG 3.29Å; K95-D99 PolarHBondContact O-N 2.9Å
96	E	94.7	Very high	93.7	Very high	102 Å²	102	118.2 Å²	118.2	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-39.4	177.4	-71	168.5	171.7	0	0	112.3	K92 R93 R100	K92-E96 WeakPolarHBondContact CE-OE1 3.45Å; K92-E96 WeakPolarHBondContact O-CG 3.43Å; K92-E96 PolarHBondContact O-N 2.99Å; R93-E96 PolarHBondContact O-N 3.4Å; E96-R100 WeakPolarHBondContact O-CB 3.41Å; E96-R100 PolarHBondContact O-N 3.47Å
97	E	95.5	Very high	94	Very high	84 Å²	84	117.6 Å²	117.6	39%	0.393	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-42.1	175.3	-166.8	-167.2	152.1	0	0	112.3	R93 R94 K95 R100 K101	R93-E97 PolarHBondContact O-N 3.37Å; R94-E97 PolarHBondContact O-N 3.05Å; K95-E97 VanDerWaalsContact C-N 3.31Å; K95-E97 PolarHBondContact O-N 2.89Å; E97-R100 PolarHBondContact O-N 3.41Å; E97-K101 HydrophobicContact CG-CD 4.45Å; E97-K101 WeakPolarHBondContact O-CB 3.48Å; E97-K101 WeakPolarHBondContact O-CG 3.25Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 VanDerWaalsContact OE1-CE 3.3Å; E97-K101 WeakPolarHBondContact OE1-CE 3.33Å; E97-K101 IonicContact OE1-NZ 2.64Å; E97-K101 PolarHBondContact OE1-NZ 3.41Å
98	Q	95.7	Very high	94.3	Very high	130 Å²	130	118.1 Å²	118.1	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-63.1	-44.8	175.5	-75.3	177.1	-7.6	0	0	111.5	R94 K95 R100 K101 L102	R94-Q98 WeakPolarHBondContact O-CG 3.46Å; R94-Q98 PolarHBondContact O-N 3.31Å; K95-Q98 PolarHBondContact O-N 3.4Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.23Å; Q98-K101 PolarHBondContact O-N 2.86Å; Q98-L102 WeakPolarHBondContact O-CB 3.47Å; Q98-L102 PolarHBondContact O-N 3.24Å
99	D	96.3	Very high	94.5	Very high	84 Å²	84	119.6 Å²	119.6	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-40.4	178.3	-70.7	-17.4	0	0	0	110.8	K95 L102 K103	K95-D99 WeakPolarHBondContact O-CB 3.4Å; K95-D99 VanDerWaalsContact O-CG 3.29Å; K95-D99 PolarHBondContact O-N 2.9Å; D99-L102 PolarHBondContact O-N 3.48Å; D99-K103 WeakPolarHBondContact O-CB 3.37Å; D99-K103 PolarHBondContact O-N 3.49Å
100	R	95.6	Very high	94.6	Very high	152 Å²	152	121.8 Å²	121.8	57%	0.574	53%	0.529	S	S	*	.	H	α-helix	trans	-60.7	-50.9	173	-174.8	177.4	69.1	-153.9	-1	111.8	E96 E97 Q98 L102 K103 E104	E96-R100 WeakPolarHBondContact O-CB 3.41Å; E96-R100 PolarHBondContact O-N 3.47Å; E97-R100 PolarHBondContact O-N 3.41Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.23Å; R100-L102 VanDerWaalsContact C-N 3.28Å; R100-L102 PolarHBondContact O-N 2.89Å; R100-K103 PolarHBondContact O-N 3.2Å; R100-E104 WeakPolarHBondContact O-CG 3.22Å; R100-E104 PolarHBondContact O-N 3.08Å
101	K	96.4	Very high	94.5	Very high	102 Å²	102	121.3 Å²	121.3	44%	0.443	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-37.6	177.6	-76.9	172.7	169.6	169	0	112	E97 Q98 K105	E97-K101 HydrophobicContact CG-CD 4.45Å; E97-K101 WeakPolarHBondContact O-CB 3.48Å; E97-K101 WeakPolarHBondContact O-CG 3.25Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 VanDerWaalsContact OE1-CE 3.3Å; E97-K101 WeakPolarHBondContact OE1-CE 3.33Å; E97-K101 IonicContact OE1-NZ 2.64Å; E97-K101 PolarHBondContact OE1-NZ 3.41Å; Q98-K101 PolarHBondContact O-N 2.86Å; K101-K105 WeakPolarHBondContact O-CG 3.44Å; K101-K105 PolarHBondContact O-N 2.92Å; K101-K105 VanDerWaalsContact O-N 3.12Å
102	L	95	Very high	94.2	Very high	95 Å²	95	121.4 Å²	121.4	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-66.6	-44.8	176.5	-179.7	61	0	0	0	110.8	Q98 D99 R100 K105 L106	Q98-L102 WeakPolarHBondContact O-CB 3.47Å; Q98-L102 PolarHBondContact O-N 3.24Å; D99-L102 PolarHBondContact O-N 3.48Å; R100-L102 VanDerWaalsContact C-N 3.28Å; R100-L102 PolarHBondContact O-N 2.89Å; L102-K105 PolarHBondContact O-N 2.79Å; L102-L106 HydrophobicContact CD1-CD1 4.39Å; L102-L106 HydrophobicContact CD1-CG 4.38Å; L102-L106 HydrophobicContact CG-CD1 4.13Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.06Å
103	K	96.3	Very high	93.2	Very high	131 Å²	131	125.5 Å²	125.5	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-60.3	-47.8	177.3	-172.1	177.5	175.5	-174.2	0	111.8	D99 R100 K105 L106 E107	D99-K103 WeakPolarHBondContact O-CB 3.37Å; D99-K103 PolarHBondContact O-N 3.49Å; R100-K103 PolarHBondContact O-N 3.2Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 3.31Å; K103-L106 PolarHBondContact O-N 2.97Å; K103-L106 VanDerWaalsContact O-N 3.13Å; K103-E107 WeakPolarHBondContact CE-OE1 3.46Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 2.92Å
104	E	95.3	Very high	93.2	Very high	90 Å²	90	122.8 Å²	122.8	42%	0.421	57%	0.565	S	S	.	*	H	α-helix	trans	-58.7	-41	175.7	-71.2	170.7	-176.3	0	0	112.2	R100 E107 K108	R100-E104 WeakPolarHBondContact O-CG 3.22Å; R100-E104 PolarHBondContact O-N 3.08Å; E104-E107 PolarHBondContact O-N 3.36Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 2.72Å
105	K	95.1	Very high	93.1	Very high	142 Å²	142	123.5 Å²	123.5	62%	0.617	57%	0.573	S	S	*	*	H	α-helix	trans	-64.7	-41.5	175.5	-77.7	178.7	178	-175.8	0	112.1	K101 L102 K103 R109	K101-K105 WeakPolarHBondContact O-CG 3.44Å; K101-K105 PolarHBondContact O-N 2.92Å; K101-K105 VanDerWaalsContact O-N 3.12Å; L102-K105 PolarHBondContact O-N 2.79Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 3.31Å; K105-R109 WeakPolarHBondContact O-CG 3.36Å; K105-R109 PolarHBondContact O-N 3.32Å
106	L	95.4	Very high	93.1	Very high	81 Å²	81	122.9 Å²	122.9	42%	0.424	57%	0.573	S	S	.	*	H	α-helix	trans	-66.8	-40	177.6	-70.3	172.4	0	0	0	111.4	L102 K103 R109 K110	L102-L106 HydrophobicContact CD1-CD1 4.39Å; L102-L106 HydrophobicContact CD1-CG 4.38Å; L102-L106 HydrophobicContact CG-CD1 4.13Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.06Å; K103-L106 PolarHBondContact O-N 2.97Å; K103-L106 VanDerWaalsContact O-N 3.13Å; L106-R109 PolarHBondContact O-N 3.27Å; L106-K110 WeakPolarHBondContact O-CG 3.3Å; L106-K110 PolarHBondContact O-N 3.13Å
107	E	95.4	Very high	93	Very high	106 Å²	106	124.2 Å²	124.2	50%	0.495	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-44.9	175	-72.9	171.5	173.3	0	0	111.7	K103 E104 R109 K110 A111	K103-E107 WeakPolarHBondContact CE-OE1 3.46Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 2.92Å; E104-E107 PolarHBondContact O-N 3.36Å; E107-R109 PolarHBondContact O-N 2.65Å; E107-K110 PolarHBondContact O-N 3.36Å; E107-A111 PolarHBondContact O-N 3.3Å
108	K	94.5	Very high	92.8	Very high	139 Å²	139	126.7 Å²	126.7	60%	0.604	59%	0.59	S	S	*	*	H	α-helix	trans	-60.6	-41.3	174.1	-73.4	177.5	-176.6	-178.5	0	112.7	E104 K110 A111 Q112	E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 2.72Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K108-A111 PolarHBondContact O-N 2.96Å; K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-N 3.45Å
109	R	92.5	Very high	92.7	Very high	160 Å²	160	126.5 Å²	126.5	60%	0.604	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-38.6	175.7	-76.4	179	69.4	-174.8	2.2	112.1	K105 L106 E107 Q112	K105-R109 WeakPolarHBondContact O-CG 3.36Å; K105-R109 PolarHBondContact O-N 3.32Å; L106-R109 PolarHBondContact O-N 3.27Å; E107-R109 PolarHBondContact O-N 2.65Å; R109-Q112 PolarHBondContact O-N 3.26Å
110	K	93.8	Very high	92.4	Very high	155 Å²	155	129.5 Å²	129.5	67%	0.674	60%	0.599	S	S	*	*	H	α-helix	trans	-68.4	-33.1	176.2	-74.9	178.7	179.2	-172.6	0	112.7	L106 E107 K108 Q112	L106-K110 WeakPolarHBondContact O-CG 3.3Å; L106-K110 PolarHBondContact O-N 3.13Å; E107-K110 PolarHBondContact O-N 3.36Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K110-Q112 VanDerWaalsContact C-N 3.29Å
111	A	90.6	Very high	92.1	Very high	87 Å²	87	127.8 Å²	127.8	72%	0.719	60%	0.601	S	S	*	*	H	α-helix	trans	-76	-14.7	177	0	0	0	0	0	114	E107 K108	E107-A111 PolarHBondContact O-N 3.3Å; K108-A111 PolarHBondContact O-N 2.96Å
112	Q	86.4	Confident	91.8	Very high	165 Å²	165	129.9 Å²	129.9	77%	0.771	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-10.3	176.5	-71.8	176.2	1.6	0	0	113.4	K108 R109 K110	K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-N 3.45Å; R109-Q112 PolarHBondContact O-N 3.26Å; K110-Q112 VanDerWaalsContact C-N 3.29Å
113	Q	71.2	Confident	91.5	Very high	208 Å²	208	133.1 Å²	133.1	97%	0.972	63%	0.625	S	S	*	*			trans	-95.2	0	173.8	-71.3	-177	0.4	0	0	109.7

Retrieved 113 of 113 residues in 86.7 ms (Link to these results)

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