A0A5K4F8B4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F8B4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 aa.

						>A0A5K4F8B4_SCHMA|A0A5K4F8B4
MTKFRLLNAYLVYSPSVCLQRASTAFLSQLSTSRSGCQAIENEGACPRFTELIQSNNEYIAAYTAAILHRIAQDKPEAYRRRLSLELRQSLFDGGLLNDPNEIDPYPSSPSKLTDGILPNDNSPHITDRRSRNLSDSNLRQRSK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.7	Low	58	Low	192 Å²	192	99.8 Å²	99.8	95%	0.946	48%	0.476	S	S	*	.				0	-33.4	0	-97.7	174.1	171.3	0	0	113.8	K3 F4	M1-K3 PolarHBondContact O-N 3.11Å; M1-F4 PolarHBondContact O-N 3.05Å
2	T	55	Low	58.2	Low	90 Å²	90	91.9 Å²	91.9	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-61.9	-39.3	-175.2	-24.7	0	0	0	0	114.8	F4 R5 L6	T2-F4 VanDerWaalsContact C-N 3.28Å; T2-F4 PolarHBondContact O-N 3.28Å; T2-R5 WeakPolarHBondContact O-CB 3.31Å; T2-R5 PolarHBondContact O-N 3.44Å; T2-R5 VanDerWaalsContact O-N 3.15Å; T2-L6 PolarHBondContact O-N 3Å
3	K	54	Low	58.4	Low	189 Å²	189	94.8 Å²	94.8	82%	0.822	44%	0.444	S	S	*	.	H	α-helix	trans	-61.5	-33.4	178.1	-76.1	-174	177.3	-179.3	0	113.7	M1 R5 L7	M1-K3 PolarHBondContact O-N 3.11Å; K3-R5 VanDerWaalsContact C-N 3.33Å; K3-L7 PolarHBondContact O-N 2.85Å; K3-L7 VanDerWaalsContact O-N 3.17Å
4	F	55.3	Low	58.8	Low	111 Å²	111	89.8 Å²	89.8	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-74.7	-27.3	179.6	-161.7	-81	0	0	0	112.1	M1 T2 N8 F26	M1-F4 PolarHBondContact O-N 3.05Å; T2-F4 VanDerWaalsContact C-N 3.28Å; T2-F4 PolarHBondContact O-N 3.28Å; F4-N8 WeakPolarHBondContact CE1-ND2 3.4Å; F4-N8 PolarHBondContact O-ND2 3.3Å; F4-F26 HydrophobicContact CD1-CE1 4.06Å; F4-F26 HydrophobicContact CD1-CZ 4.28Å; F4-F26 AromaticContact CE1-CD1 3.92Å; F4-F26 HydrophobicContact CE1-CD1 3.92Å; F4-F26 AromaticContact CE1-CE1 3.21Å; F4-F26 HydrophobicContact CE1-CE1 3.21Å; F4-F26 HydrophobicContact CE1-CE2 4.16Å; F4-F26 AromaticContact CE1-CZ 3.32Å; F4-F26 HydrophobicContact CE1-CZ 3.32Å; F4-F26 HydrophobicContact CZ-CE1 4.04Å; F4-F26 HydrophobicContact CZ-CE2 4.23Å; F4-F26 AromaticContact CZ-CZ 3.81Å; F4-F26 HydrophobicContact CZ-CZ 3.81Å
5	R	57.9	Low	59.3	Low	100 Å²	100	92.3 Å²	92.3	38%	0.377	45%	0.451	S	S	.	.	H	α-helix	trans	-70.8	-48.4	175.9	-64.1	-178.5	179.1	166.4	-2.6	111.3	T2 K3 A9 E43	T2-R5 WeakPolarHBondContact O-CB 3.31Å; T2-R5 PolarHBondContact O-N 3.44Å; T2-R5 VanDerWaalsContact O-N 3.15Å; K3-R5 VanDerWaalsContact C-N 3.33Å; R5-A9 PolarHBondContact O-N 3Å; R5-E43 HydrophobicContact CB-CG 4.15Å; R5-E43 VanDerWaalsContact CB-OE1 3.27Å; R5-E43 WeakPolarHBondContact CB-OE1 3.49Å; R5-E43 WeakPolarHBondContact CD-OE1 3.44Å
6	L	55.3	Low	60.4	Low	74 Å²	74	89.5 Å²	89.5	39%	0.387	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-45.1	177.7	-69.7	172.1	0	0	0	112.1	T2 N8 A9 Y10 E43	T2-L6 PolarHBondContact O-N 3Å; L6-N8 VanDerWaalsContact C-N 3.33Å; L6-N8 PolarHBondContact O-N 3.27Å; L6-A9 PolarHBondContact O-N 3.36Å; L6-A9 VanDerWaalsContact O-N 3.15Å; L6-Y10 HydrophobicContact CB-CD2 4.23Å; L6-Y10 HydrophobicContact CB-CE2 4.15Å; L6-Y10 HydrophobicContact CD2-CE2 4.31Å; L6-Y10 WeakPolarHBondContact O-CD2 3.46Å; L6-Y10 PolarHBondContact O-N 3.31Å; L6-E43 VanDerWaalsContact CD2-OE2 3.23Å; L6-E43 WeakPolarHBondContact CD2-OE2 3.27Å
7	L	57.4	Low	61.5	Low	104 Å²	104	88.4 Å²	88.4	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-44.9	-175.5	-165.5	87	0	0	0	112.1	K3 Y10 L11	K3-L7 PolarHBondContact O-N 2.85Å; K3-L7 VanDerWaalsContact O-N 3.17Å; L7-Y10 PolarHBondContact O-N 2.75Å; L7-L11 HydrophobicContact CD2-CD1 4.39Å; L7-L11 HydrophobicContact CG-CD1 4.4Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.37Å
8	N	62.1	Low	62.7	Low	12 Å²	12	88.1 Å²	88.1	6%	0.064	45%	0.45	C	S	.	.	H	α-helix	trans	-69.3	-35.6	179.9	-81.3	-62.6	0	0	0	112.8	F4 L6 Y10 L11 V12 L27	F4-N8 WeakPolarHBondContact CE1-ND2 3.4Å; F4-N8 PolarHBondContact O-ND2 3.3Å; L6-N8 VanDerWaalsContact C-N 3.33Å; L6-N8 PolarHBondContact O-N 3.27Å; N8-Y10 VanDerWaalsContact C-N 3.32Å; N8-L11 PolarHBondContact O-N 2.91Å; N8-V12 PolarHBondContact O-N 3.28Å; N8-L27 HydrophobicContact CB-CD1 4.45Å; N8-L27 HydrophobicContact CB-CD2 4.12Å; N8-L27 HydrophobicContact CB-CG 4.25Å
9	A	59.5	Low	63.7	Low	24 Å²	24	87.5 Å²	87.5	20%	0.198	45%	0.447	C	S	.	.	H	α-helix	trans	-64.2	-38.2	173	0	0	0	0	0	111.4	R5 L6 V12 Y13	R5-A9 PolarHBondContact O-N 3Å; L6-A9 PolarHBondContact O-N 3.36Å; L6-A9 VanDerWaalsContact O-N 3.15Å; A9-V12 WeakPolarHBondContact O-CB 3.22Å; A9-V12 PolarHBondContact O-N 3.42Å; A9-Y13 WeakPolarHBondContact O-CD2 3.22Å
10	Y	61.8	Low	64.6	Low	156 Å²	156	84.8 Å²	84.8	61%	0.612	43%	0.432	S	S	*	.	H	α-helix	trans	-71.7	-30.6	174.2	-77.2	-70.7	0	0	0	113.4	L6 L7 N8 V12 Y13	L6-Y10 HydrophobicContact CB-CD2 4.23Å; L6-Y10 HydrophobicContact CB-CE2 4.15Å; L6-Y10 HydrophobicContact CD2-CE2 4.31Å; L6-Y10 WeakPolarHBondContact O-CD2 3.46Å; L6-Y10 PolarHBondContact O-N 3.31Å; L7-Y10 PolarHBondContact O-N 2.75Å; N8-Y10 VanDerWaalsContact C-N 3.32Å; Y10-V12 PolarHBondContact O-N 3.22Å; Y10-Y13 WeakPolarHBondContact O-CA 3.39Å; Y10-Y13 VanDerWaalsContact O-CB 3.27Å; Y10-Y13 WeakPolarHBondContact O-CB 3.42Å; Y10-Y13 PolarHBondContact O-N 3.15Å
11	L	62.8	Low	65.5	Low	46 Å²	46	86.1 Å²	86.1	24%	0.241	43%	0.432	C	S	.	.	H	α-helix	trans	-68.5	-24.4	176.7	-73.1	172.4	0	0	0	112.6	L7 N8 Y13 S14 L19 S23	L7-L11 HydrophobicContact CD2-CD1 4.39Å; L7-L11 HydrophobicContact CG-CD1 4.4Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.37Å; N8-L11 PolarHBondContact O-N 2.91Å; L11-Y13 PolarHBondContact O-N 3.48Å; L11-S14 WeakPolarHBondContact O-CB 3.47Å; L11-S14 PolarHBondContact O-N 3.46Å; L11-L19 HydrophobicContact CD2-CD1 4.29Å; L11-S23 WeakPolarHBondContact CB-OG 3.27Å; L11-S23 WeakPolarHBondContact CD1-OG 3.46Å
12	V	60.1	Low	66.9	Low	5 Å²	5	79.9 Å²	79.9	3%	0.03	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.5	168.1	165	0	0	0	0	111.9	N8 A9 Y10 S14 Q20 L27 R48 L52	N8-V12 PolarHBondContact O-N 3.28Å; A9-V12 WeakPolarHBondContact O-CB 3.22Å; A9-V12 PolarHBondContact O-N 3.42Å; Y10-V12 PolarHBondContact O-N 3.22Å; V12-S14 VanDerWaalsContact C-N 3.29Å; V12-Q20 PolarHBondContact O-NE2 3.2Å; V12-L27 HydrophobicContact CG2-CD1 4.46Å; V12-R48 HydrophobicContact CG1-CB 4.47Å; V12-L52 HydrophobicContact CB-CD1 4.26Å; V12-L52 HydrophobicContact CG1-CD1 3.3Å; V12-L52 HydrophobicContact CG1-CD2 3.96Å; V12-L52 HydrophobicContact CG1-CG 3.73Å; V12-L52 HydrophobicContact CG2-CD1 4Å
13	Y	61.5	Low	68.3	Low	129 Å²	129	75.7 Å²	75.7	51%	0.506	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8	174.7	-66.3	-126.9	0	0	0	112.1	A9 Y10 L11 R48	A9-Y13 WeakPolarHBondContact O-CD2 3.22Å; Y10-Y13 WeakPolarHBondContact O-CA 3.39Å; Y10-Y13 VanDerWaalsContact O-CB 3.27Å; Y10-Y13 WeakPolarHBondContact O-CB 3.42Å; Y10-Y13 PolarHBondContact O-N 3.15Å; L11-Y13 PolarHBondContact O-N 3.48Å; Y13-R48 VanDerWaalsContact CE1-CZ 3.42Å; Y13-R48 HydrophobicContact CE2-CG 3.64Å; Y13-R48 WeakPolarHBondContact OH-CG 3.46Å; Y13-R48 PolarHBondContact OH-NE 2.98Å; Y13-R48 VanDerWaalsContact OH-NE 3.08Å
14	S	63.8	Low	69.7	Low	25 Å²	25	66.7 Å²	66.7	18%	0.175	35%	0.347	C	S	.	.	S	Bend	trans	-66.5	138.6	-179.8	-171.3	0	0	0	0	110.3	L11 V12 S16 Q20	L11-S14 WeakPolarHBondContact O-CB 3.47Å; L11-S14 PolarHBondContact O-N 3.46Å; V12-S14 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.45Å; S14-S16 VanDerWaalsContact O-N 3.14Å; S14-S16 PolarHBondContact OG-N 3.24Å; S14-Q20 WeakPolarHBondContact O-CG 3.23Å; S14-Q20 PolarHBondContact O-NE2 2.97Å
15	P	66.9	Low	71.2	Confident	127 Å²	127	62.7 Å²	62.7	83%	0.825	33%	0.334	S	S	*	.	S	Bend	trans	-66	-13.6	174.8	27.9	-35.6	0	0	0	112.9	V17	P15-V17 PolarHBondContact O-N 2.9Å
16	S	76	Confident	72.5	Confident	48 Å²	48	61.6 Å²	61.6	34%	0.336	33%	0.332	S	S	.	.			trans	-80.5	110.5	-179.9	179.5	0	0	0	0	111.3	S14 C18 L19 Q20	S14-S16 PolarHBondContact O-N 3.45Å; S14-S16 VanDerWaalsContact O-N 3.14Å; S14-S16 PolarHBondContact OG-N 3.24Å; S16-C18 PolarHBondContact O-N 3.46Å; S16-C18 VanDerWaalsContact O-N 3.16Å; S16-C18 PolarHBondContact OG-N 3.21Å; S16-L19 PolarHBondContact O-N 2.63Å; S16-L19 PolarHBondContact OG-N 3.37Å; S16-Q20 PolarHBondContact O-N 3.48Å
17	V	79.3	Confident	74	Confident	71 Å²	71	58.6 Å²	58.6	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-51.5	-36.2	171.4	175.5	0	0	0	0	111.8	P15 R21 N57 I60	P15-V17 PolarHBondContact O-N 2.9Å; V17-R21 VanDerWaalsContact O-CB 3.27Å; V17-R21 WeakPolarHBondContact O-CB 3.08Å; V17-R21 PolarHBondContact O-N 3.15Å; V17-N57 HydrophobicContact CG1-CB 4.49Å; V17-N57 WeakPolarHBondContact CG1-ND2 3.35Å; V17-I60 HydrophobicContact CG1-CD1 4.01Å
18	C	82.3	Confident	75.5	Confident	83 Å²	83	53.9 Å²	53.9	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-66.3	-42.1	177.6	-74.2	0	0	0	0	112.4	S16 A22	S16-C18 PolarHBondContact O-N 3.46Å; S16-C18 VanDerWaalsContact O-N 3.16Å; S16-C18 PolarHBondContact OG-N 3.21Å; C18-A22 WeakPolarHBondContact O-CB 3.47Å; C18-A22 PolarHBondContact O-N 3.45Å
19	L	81.8	Confident	76.7	Confident	76 Å²	76	59.3 Å²	59.3	40%	0.398	32%	0.317	S	S	.	.	H	α-helix	trans	-69.9	-41.7	177.7	-72.1	176.4	0	0	0	111.4	L11 S16 A22 S23	L11-L19 HydrophobicContact CD2-CD1 4.29Å; S16-L19 PolarHBondContact O-N 2.63Å; S16-L19 PolarHBondContact OG-N 3.37Å; L19-A22 PolarHBondContact O-N 3.22Å; L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.29Å; L19-S23 PolarHBondContact O-OG 2.72Å
20	Q	83.1	Confident	78	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-50.7	173.4	-66.8	-174.5	4.1	0	0	110.4	V12 S14 S16 A22 S23 T24 I60	V12-Q20 PolarHBondContact O-NE2 3.2Å; S14-Q20 WeakPolarHBondContact O-CG 3.23Å; S14-Q20 PolarHBondContact O-NE2 2.97Å; S16-Q20 PolarHBondContact O-N 3.48Å; Q20-A22 PolarHBondContact O-N 3.08Å; Q20-S23 PolarHBondContact O-N 3.26Å; Q20-T24 WeakPolarHBondContact O-CB 3.5Å; Q20-T24 PolarHBondContact O-N 3.15Å; Q20-T24 PolarHBondContact O-OG1 2.95Å; Q20-I60 HydrophobicContact CB-CD1 3.7Å
21	R	83.9	Confident	79.2	Confident	113 Å²	113	53.9 Å²	53.9	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-46.1	179.1	-171.1	178.3	70.2	179.7	0.7	112.5	V17 S23 A25 I60 Y63	V17-R21 VanDerWaalsContact O-CB 3.27Å; V17-R21 WeakPolarHBondContact O-CB 3.08Å; V17-R21 PolarHBondContact O-N 3.15Å; R21-S23 VanDerWaalsContact C-N 3.32Å; R21-S23 PolarHBondContact O-N 2.89Å; R21-A25 WeakPolarHBondContact O-CB 3.15Å; R21-A25 PolarHBondContact O-N 3.35Å; R21-I60 HydrophobicContact CB-CD1 4.44Å; R21-I60 HydrophobicContact CB-CG1 4.07Å; R21-Y63 HydrophobicContact CG-CE2 4.32Å
22	A	84.5	Confident	80.4	Confident	61 Å²	61	56 Å²	56	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-41.6	177.5	0	0	0	0	0	111.8	C18 L19 Q20 F26	C18-A22 WeakPolarHBondContact O-CB 3.47Å; C18-A22 PolarHBondContact O-N 3.45Å; L19-A22 PolarHBondContact O-N 3.22Å; Q20-A22 PolarHBondContact O-N 3.08Å; A22-F26 WeakPolarHBondContact O-CB 3.37Å; A22-F26 PolarHBondContact O-N 3Å
23	S	84	Confident	81.7	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-47	179.3	-53.5	0	0	0	0	111.5	L11 L19 Q20 R21 A25 F26 L27	L11-S23 WeakPolarHBondContact CB-OG 3.27Å; L11-S23 WeakPolarHBondContact CD1-OG 3.46Å; L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.29Å; L19-S23 PolarHBondContact O-OG 2.72Å; Q20-S23 PolarHBondContact O-N 3.26Å; R21-S23 VanDerWaalsContact C-N 3.32Å; R21-S23 PolarHBondContact O-N 2.89Å; S23-A25 VanDerWaalsContact C-N 3.35Å; S23-A25 PolarHBondContact O-N 3.04Å; S23-F26 PolarHBondContact O-N 3.29Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 VanDerWaalsContact O-CG 3.27Å; S23-L27 WeakPolarHBondContact O-CG 3.38Å; S23-L27 PolarHBondContact O-N 3.37Å
24	T	85.3	Confident	82.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-38.9	176.9	-48.5	0	0	0	0	111.2	Q20 F26 L27 S28 Y63 T64 I67	Q20-T24 WeakPolarHBondContact O-CB 3.5Å; Q20-T24 PolarHBondContact O-N 3.15Å; Q20-T24 PolarHBondContact O-OG1 2.95Å; T24-F26 PolarHBondContact O-N 3.29Å; T24-L27 PolarHBondContact O-N 3.03Å; T24-S28 WeakPolarHBondContact O-CB 3.23Å; T24-S28 PolarHBondContact O-N 3.48Å; T24-Y63 VanDerWaalsContact CG2-CB 3.46Å; T24-T64 VanDerWaalsContact CG2-OG1 3.28Å; T24-T64 WeakPolarHBondContact CG2-OG1 3.36Å; T24-I67 HydrophobicContact CG2-CD1 3.86Å
25	A	85.8	Confident	83.9	Confident	27 Å²	27	62.6 Å²	62.6	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-43.5	173.6	0	0	0	0	0	111.5	R21 S23 S28 Q29 Y63	R21-A25 WeakPolarHBondContact O-CB 3.15Å; R21-A25 PolarHBondContact O-N 3.35Å; S23-A25 VanDerWaalsContact C-N 3.35Å; S23-A25 PolarHBondContact O-N 3.04Å; A25-S28 WeakPolarHBondContact O-CB 3.27Å; A25-S28 PolarHBondContact O-N 3.42Å; A25-Q29 PolarHBondContact O-N 3.15Å; A25-Q29 VanDerWaalsContact O-N 3.08Å; A25-Y63 HydrophobicContact CB-CD2 4.39Å; A25-Y63 HydrophobicContact CB-CE2 4.18Å
26	F	85.9	Confident	84.7	Confident	77 Å²	77	56.9 Å²	56.9	34%	0.338	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-44.5	176.2	-178.7	-87.3	0	0	0	112.3	F4 A22 S23 T24 S28 Q29 L30	F4-F26 HydrophobicContact CD1-CE1 4.06Å; F4-F26 HydrophobicContact CD1-CZ 4.28Å; F4-F26 AromaticContact CE1-CD1 3.92Å; F4-F26 HydrophobicContact CE1-CD1 3.92Å; F4-F26 AromaticContact CE1-CE1 3.21Å; F4-F26 HydrophobicContact CE1-CE1 3.21Å; F4-F26 HydrophobicContact CE1-CE2 4.16Å; F4-F26 AromaticContact CE1-CZ 3.32Å; F4-F26 HydrophobicContact CE1-CZ 3.32Å; F4-F26 HydrophobicContact CZ-CE1 4.04Å; F4-F26 HydrophobicContact CZ-CE2 4.23Å; F4-F26 AromaticContact CZ-CZ 3.81Å; F4-F26 HydrophobicContact CZ-CZ 3.81Å; A22-F26 WeakPolarHBondContact O-CB 3.37Å; A22-F26 PolarHBondContact O-N 3Å; S23-F26 PolarHBondContact O-N 3.29Å; T24-F26 PolarHBondContact O-N 3.29Å; F26-S28 VanDerWaalsContact C-N 3.25Å; F26-S28 PolarHBondContact O-N 3.17Å; F26-Q29 WeakPolarHBondContact O-CB 3.22Å; F26-Q29 PolarHBondContact O-N 3.3Å; F26-L30 HydrophobicContact CD1-CD1 4.12Å; F26-L30 HydrophobicContact CD1-CG 4.15Å; F26-L30 HydrophobicContact CE1-CD1 3.39Å; F26-L30 HydrophobicContact CE1-CD2 3.99Å; F26-L30 HydrophobicContact CE1-CG 3.47Å; F26-L30 VanDerWaalsContact CE1-CG 3.47Å; F26-L30 HydrophobicContact CZ-CD1 4.22Å; F26-L30 HydrophobicContact CZ-CD2 4.02Å; F26-L30 HydrophobicContact CZ-CG 4Å; F26-L30 PolarHBondContact O-N 3.41Å
27	L	86.6	Confident	85.2	Confident	10 Å²	10	55 Å²	55	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-35.9	174.8	-70.5	171.5	0	0	0	111.5	N8 V12 S23 T24 Q29 L30 S31 I40 F49 I67	N8-L27 HydrophobicContact CB-CD1 4.45Å; N8-L27 HydrophobicContact CB-CD2 4.12Å; N8-L27 HydrophobicContact CB-CG 4.25Å; V12-L27 HydrophobicContact CG2-CD1 4.46Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 VanDerWaalsContact O-CG 3.27Å; S23-L27 WeakPolarHBondContact O-CG 3.38Å; S23-L27 PolarHBondContact O-N 3.37Å; T24-L27 PolarHBondContact O-N 3.03Å; L27-Q29 VanDerWaalsContact C-N 3.35Å; L27-L30 HydrophobicContact CD2-CD1 4.46Å; L27-L30 PolarHBondContact O-N 3.06Å; L27-S31 WeakPolarHBondContact O-CB 3.38Å; L27-S31 PolarHBondContact O-N 3.38Å; L27-S31 PolarHBondContact O-OG 3.08Å; L27-I40 HydrophobicContact CD2-CD1 4.32Å; L27-I40 HydrophobicContact CD2-CG1 4.24Å; L27-F49 HydrophobicContact CD1-CE1 4.09Å; L27-F49 HydrophobicContact CD1-CZ 4.14Å; L27-I67 HydrophobicContact CB-CD1 3.69Å
28	S	87.9	Confident	85.4	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-46.9	171.5	-175.9	0	0	0	0	110.2	T24 A25 F26 L30 S31 R70	T24-S28 WeakPolarHBondContact O-CB 3.23Å; T24-S28 PolarHBondContact O-N 3.48Å; A25-S28 WeakPolarHBondContact O-CB 3.27Å; A25-S28 PolarHBondContact O-N 3.42Å; F26-S28 VanDerWaalsContact C-N 3.25Å; F26-S28 PolarHBondContact O-N 3.17Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 2.99Å; S28-S31 PolarHBondContact O-N 2.91Å; S28-S31 PolarHBondContact O-OG 3.31Å; S28-R70 PolarHBondContact O-NH1 3.36Å; S28-R70 PolarHBondContact OG-NH1 3.42Å
29	Q	88	Confident	85.5	Confident	125 Å²	125	52.8 Å²	52.8	58%	0.584	28%	0.28	S	S	*	.	H	α-helix	trans	-60.9	-40.5	175.1	-61.7	-55.3	-31.3	0	0	112.7	A25 F26 L27 S31 T32	A25-Q29 PolarHBondContact O-N 3.15Å; A25-Q29 VanDerWaalsContact O-N 3.08Å; F26-Q29 WeakPolarHBondContact O-CB 3.22Å; F26-Q29 PolarHBondContact O-N 3.3Å; L27-Q29 VanDerWaalsContact C-N 3.35Å; Q29-S31 PolarHBondContact O-N 2.83Å; Q29-T32 WeakPolarHBondContact O-CB 3.4Å; Q29-T32 WeakPolarHBondContact O-CG2 3.24Å; Q29-T32 PolarHBondContact O-N 3.4Å; Q29-T32 PolarHBondContact O-OG1 2.93Å
30	L	86.7	Confident	85.5	Confident	63 Å²	63	49.6 Å²	49.6	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-41.6	176.2	-73.4	-172.5	0	0	0	113.4	F26 L27 S28 T32 S33 I40	F26-L30 HydrophobicContact CD1-CD1 4.12Å; F26-L30 HydrophobicContact CD1-CG 4.15Å; F26-L30 HydrophobicContact CE1-CD1 3.39Å; F26-L30 HydrophobicContact CE1-CD2 3.99Å; F26-L30 HydrophobicContact CE1-CG 3.47Å; F26-L30 VanDerWaalsContact CE1-CG 3.47Å; F26-L30 HydrophobicContact CZ-CD1 4.22Å; F26-L30 HydrophobicContact CZ-CD2 4.02Å; F26-L30 HydrophobicContact CZ-CG 4Å; F26-L30 PolarHBondContact O-N 3.41Å; L27-L30 HydrophobicContact CD2-CD1 4.46Å; L27-L30 PolarHBondContact O-N 3.06Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 2.99Å; L30-T32 PolarHBondContact O-N 3.47Å; L30-T32 VanDerWaalsContact O-N 3.08Å; L30-S33 PolarHBondContact O-N 2.67Å; L30-S33 VanDerWaalsContact O-N 3.15Å; L30-S33 PolarHBondContact O-OG 3.07Å; L30-S33 VanDerWaalsContact O-OG 3.05Å; L30-I40 HydrophobicContact CB-CD1 4.36Å
31	S	86.7	Confident	85.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.3	179.4	70.7	0	0	0	0	114	L27 S28 Q29 S33 C37 R70	L27-S31 WeakPolarHBondContact O-CB 3.38Å; L27-S31 PolarHBondContact O-N 3.38Å; L27-S31 PolarHBondContact O-OG 3.08Å; S28-S31 PolarHBondContact O-N 2.91Å; S28-S31 PolarHBondContact O-OG 3.31Å; Q29-S31 PolarHBondContact O-N 2.83Å; S31-S33 PolarHBondContact O-N 2.83Å; S31-C37 PolarHBondContact O-SG 3.24Å; S31-R70 WeakPolarHBondContact O-CD 3.36Å; S31-R70 WeakPolarHBondContact OG-CD 3.11Å; S31-R70 PolarHBondContact OG-NH1 2.69Å
32	T	88.3	Confident	85.4	Confident	92 Å²	92	52.2 Å²	52.2	56%	0.564	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.7	172	61.4	0	0	0	0	112.3	Q29 L30	Q29-T32 WeakPolarHBondContact O-CB 3.4Å; Q29-T32 WeakPolarHBondContact O-CG2 3.24Å; Q29-T32 PolarHBondContact O-N 3.4Å; Q29-T32 PolarHBondContact O-OG1 2.93Å; L30-T32 PolarHBondContact O-N 3.47Å; L30-T32 VanDerWaalsContact O-N 3.08Å
33	S	87.7	Confident	85.2	Confident	49 Å²	49	52.2 Å²	52.2	34%	0.343	28%	0.275	S	S	.	.	S	Bend	trans	-100	140.8	176.4	73.3	0	0	0	0	111.1	L30 S31 S35 G36 C37	L30-S33 PolarHBondContact O-N 2.67Å; L30-S33 VanDerWaalsContact O-N 3.15Å; L30-S33 PolarHBondContact O-OG 3.07Å; L30-S33 VanDerWaalsContact O-OG 3.05Å; S31-S33 PolarHBondContact O-N 2.83Å; S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 3.2Å; S33-S35 PolarHBondContact OG-OG 2.85Å; S33-G36 WeakPolarHBondContact O-CA 3.28Å; S33-G36 PolarHBondContact O-N 3.43Å; S33-G36 PolarHBondContact OG-N 3.34Å; S33-G36 VanDerWaalsContact OG-N 3.11Å; S33-C37 PolarHBondContact O-N 3.22Å
34	R	85	Confident	84.9	Confident	163 Å²	163	54.3 Å²	54.3	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-56.8	-40.7	176.9	-168.3	177.6	-164.8	-179.3	5.2	112.4	G36 C37 Q38 D74	R34-G36 PolarHBondContact O-N 2.91Å; R34-C37 PolarHBondContact O-N 3.4Å; R34-Q38 WeakPolarHBondContact O-CG 3.38Å; R34-Q38 PolarHBondContact O-N 3.15Å; R34-D74 IonicContact CZ-OD1 2.67Å; R34-D74 IonicContact CZ-OD2 2.72Å; R34-D74 IonicContact NE-OD1 3.48Å; R34-D74 PolarHBondContact NE-OD1 3.49Å; R34-D74 IonicContact NE-OD2 3.26Å; R34-D74 PolarHBondContact NE-OD2 2.98Å; R34-D74 VanDerWaalsContact NH2-CG 3.34Å; R34-D74 IonicContact NH2-OD1 3.13Å; R34-D74 PolarHBondContact NH2-OD1 3.48Å; R34-D74 IonicContact NH2-OD2 3.93Å; R34-D74 PolarHBondContact NH2-OD2 3.42Å
35	S	85.9	Confident	84.5	Confident	85 Å²	85	55 Å²	55	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-61.9	-33.5	175.6	73.3	0	0	0	0	112.7	S33 A39	S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 3.2Å; S33-S35 PolarHBondContact OG-OG 2.85Å; S35-A39 VanDerWaalsContact O-CB 3.31Å; S35-A39 WeakPolarHBondContact O-CB 3.47Å; S35-A39 PolarHBondContact O-N 3.42Å
36	G	84.7	Confident	84.1	Confident	7 Å²	7	55.4 Å²	55.4	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-71.5	-44.5	174.7	0	0	0	0	0	112.1	S33 R34 Q38 A39 I40	S33-G36 WeakPolarHBondContact O-CA 3.28Å; S33-G36 PolarHBondContact O-N 3.43Å; S33-G36 PolarHBondContact OG-N 3.34Å; S33-G36 VanDerWaalsContact OG-N 3.11Å; R34-G36 PolarHBondContact O-N 2.91Å; G36-Q38 PolarHBondContact O-N 3.26Å; G36-A39 PolarHBondContact O-N 3.37Å; G36-I40 VanDerWaalsContact O-CG1 3.22Å; G36-I40 WeakPolarHBondContact O-CG1 3.09Å; G36-I40 PolarHBondContact O-N 2.67Å
37	C	84.8	Confident	83.8	Confident	9 Å²	9	55.7 Å²	55.7	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-55.6	-50.2	173.1	-72	0	0	0	0	111.8	S31 S33 R34 A39 I40 E41 I71	S31-C37 PolarHBondContact O-SG 3.24Å; S33-C37 PolarHBondContact O-N 3.22Å; R34-C37 PolarHBondContact O-N 3.4Å; C37-A39 VanDerWaalsContact C-N 3.33Å; C37-A39 PolarHBondContact O-N 3.14Å; C37-I40 PolarHBondContact O-N 3.13Å; C37-E41 WeakPolarHBondContact O-CB 3.37Å; C37-E41 PolarHBondContact O-N 3.26Å; C37-I71 HydrophobicContact CB-CG1 4.12Å
38	Q	84.7	Confident	83.4	Confident	93 Å²	93	58.8 Å²	58.8	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-40.5	178.1	-71.7	179.4	-5.9	0	0	111.9	R34 G36 I40 E41 N42	R34-Q38 WeakPolarHBondContact O-CG 3.38Å; R34-Q38 PolarHBondContact O-N 3.15Å; G36-Q38 PolarHBondContact O-N 3.26Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 PolarHBondContact O-N 2.89Å; Q38-E41 PolarHBondContact O-N 2.94Å; Q38-N42 WeakPolarHBondContact O-CB 3.29Å; Q38-N42 PolarHBondContact O-N 2.92Å; Q38-N42 PolarHBondContact O-ND2 3.15Å
39	A	83.3	Confident	83.2	Confident	13 Å²	13	58.7 Å²	58.7	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-43.5	175.3	0	0	0	0	0	111.4	S35 G36 C37 N42 E43	S35-A39 VanDerWaalsContact O-CB 3.31Å; S35-A39 WeakPolarHBondContact O-CB 3.47Å; S35-A39 PolarHBondContact O-N 3.42Å; G36-A39 PolarHBondContact O-N 3.37Å; C37-A39 VanDerWaalsContact C-N 3.33Å; C37-A39 PolarHBondContact O-N 3.14Å; A39-N42 PolarHBondContact O-N 2.93Å; A39-E43 WeakPolarHBondContact O-CG 3.17Å; A39-E43 PolarHBondContact O-N 3.29Å; A39-E43 VanDerWaalsContact O-N 3.15Å
40	I	82.2	Confident	82.7	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-42.1	179.6	-66.4	165	0	0	0	111.4	L27 L30 G36 C37 Q38 E43 A45 F49 I67 I71	L27-I40 HydrophobicContact CD2-CD1 4.32Å; L27-I40 HydrophobicContact CD2-CG1 4.24Å; L30-I40 HydrophobicContact CB-CD1 4.36Å; G36-I40 VanDerWaalsContact O-CG1 3.22Å; G36-I40 WeakPolarHBondContact O-CG1 3.09Å; G36-I40 PolarHBondContact O-N 2.67Å; C37-I40 PolarHBondContact O-N 3.13Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 PolarHBondContact O-N 2.89Å; I40-E43 PolarHBondContact O-N 2.67Å; I40-A45 HydrophobicContact CG2-CB 4.24Å; I40-F49 HydrophobicContact CG2-CE2 3.35Å; I40-F49 HydrophobicContact CG2-CZ 3.62Å; I40-I67 HydrophobicContact CD1-CG2 4.36Å; I40-I67 HydrophobicContact CG2-CG2 4.31Å; I40-I71 HydrophobicContact CB-CD1 4.26Å; I40-I71 HydrophobicContact CG2-CD1 3.76Å
41	E	82.5	Confident	82.4	Confident	67 Å²	67	58.1 Å²	58.1	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.6	-170.9	176.3	-149.8	0	0	111.1	C37 Q38 E43 G44 I71 K75	C37-E41 WeakPolarHBondContact O-CB 3.37Å; C37-E41 PolarHBondContact O-N 3.26Å; Q38-E41 PolarHBondContact O-N 2.94Å; E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.31Å; E41-G44 PolarHBondContact O-N 3.46Å; E41-I71 HydrophobicContact CB-CG2 4.22Å; E41-I71 HydrophobicContact CG-CG2 4.32Å; E41-K75 VanDerWaalsContact OE1-CE 3.23Å; E41-K75 WeakPolarHBondContact OE1-CE 3.03Å; E41-K75 IonicContact OE1-NZ 3.51Å; E41-K75 PolarHBondContact OE1-NZ 3.36Å; E41-K75 IonicContact OE2-NZ 3.71Å
42	N	83.4	Confident	82.1	Confident	134 Å²	134	58.6 Å²	58.6	72%	0.717	33%	0.326	S	S	*	.	H	α-helix	trans	-66.6	-27.3	179.5	-72.9	-17.2	0	0	0	113.7	Q38 A39 G44	Q38-N42 WeakPolarHBondContact O-CB 3.29Å; Q38-N42 PolarHBondContact O-N 2.92Å; Q38-N42 PolarHBondContact O-ND2 3.15Å; A39-N42 PolarHBondContact O-N 2.93Å; N42-G44 PolarHBondContact O-N 3.38Å
43	E	79.7	Confident	81.7	Confident	61 Å²	61	54.7 Å²	54.7	29%	0.285	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.4	174.7	-63.5	-77.9	166.8	0	0	112	R5 L6 A39 I40 E41 A45	R5-E43 HydrophobicContact CB-CG 4.15Å; R5-E43 VanDerWaalsContact CB-OE1 3.27Å; R5-E43 WeakPolarHBondContact CB-OE1 3.49Å; R5-E43 WeakPolarHBondContact CD-OE1 3.44Å; L6-E43 VanDerWaalsContact CD2-OE2 3.23Å; L6-E43 WeakPolarHBondContact CD2-OE2 3.27Å; A39-E43 WeakPolarHBondContact O-CG 3.17Å; A39-E43 PolarHBondContact O-N 3.29Å; A39-E43 VanDerWaalsContact O-N 3.15Å; I40-E43 PolarHBondContact O-N 2.67Å; E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.31Å; E43-A45 VanDerWaalsContact C-N 3.34Å; E43-A45 PolarHBondContact O-N 3.31Å
44	G	77.7	Confident	81.3	Confident	47 Å²	47	59 Å²	59	49%	0.485	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	26	178	0	0	0	0	0	113.6	E41 N42 C46 P47	E41-G44 PolarHBondContact O-N 3.46Å; N42-G44 PolarHBondContact O-N 3.38Å; G44-C46 VanDerWaalsContact C-N 3.26Å; G44-C46 PolarHBondContact O-N 3.23Å; G44-P47 VanDerWaalsContact O-CD 3.24Å; G44-P47 WeakPolarHBondContact O-CD 3.24Å
45	A	77.1	Confident	80.6	Confident	13 Å²	13	52.9 Å²	52.9	11%	0.107	30%	0.298	C	S	.	.			trans	-74.5	-12.6	-178.3	0	0	0	0	0	114	I40 E43 R48 F49	I40-A45 HydrophobicContact CG2-CB 4.24Å; E43-A45 VanDerWaalsContact C-N 3.34Å; E43-A45 PolarHBondContact O-N 3.31Å; A45-R48 PolarHBondContact O-N 2.97Å; A45-R48 VanDerWaalsContact O-N 3.12Å; A45-F49 HydrophobicContact CB-CD2 4.36Å; A45-F49 HydrophobicContact CB-CE1 4.2Å; A45-F49 HydrophobicContact CB-CE2 3.73Å; A45-F49 HydrophobicContact CB-CZ 3.63Å; A45-F49 WeakPolarHBondContact O-CG 3.38Å; A45-F49 PolarHBondContact O-N 3.49Å
46	C	77.9	Confident	80	Confident	36 Å²	36	57.2 Å²	57.2	24%	0.243	32%	0.315	C	S	.	.	H	α-helix	trans	-55.1	-46.2	-174.9	-63.9	0	0	0	0	114.5	G44 R48 F49 T50	G44-C46 VanDerWaalsContact C-N 3.26Å; G44-C46 PolarHBondContact O-N 3.23Å; C46-R48 VanDerWaalsContact C-N 3.28Å; C46-R48 PolarHBondContact O-N 3.12Å; C46-F49 WeakPolarHBondContact O-CB 3.35Å; C46-F49 PolarHBondContact O-N 3.39Å; C46-T50 PolarHBondContact O-N 2.79Å; C46-T50 VanDerWaalsContact O-N 3.16Å; C46-T50 PolarHBondContact O-OG1 3.48Å
47	P	79.3	Confident	79.7	Confident	84 Å²	84	58.7 Å²	58.7	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-38.4	177.5	-24	35.8	0	0	0	112.8	G44 T50 E51	G44-P47 VanDerWaalsContact O-CD 3.24Å; G44-P47 WeakPolarHBondContact O-CD 3.24Å; P47-T50 WeakPolarHBondContact O-CB 3.45Å; P47-T50 PolarHBondContact O-N 3.48Å; P47-E51 PolarHBondContact O-N 3.17Å
48	R	78.5	Confident	79.5	Confident	75 Å²	75	61.9 Å²	61.9	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-69.4	-34.5	177.4	-79.6	-55.2	-144.9	159.7	3.4	113.3	V12 Y13 A45 C46 T50 E51 L52	V12-R48 HydrophobicContact CG1-CB 4.47Å; Y13-R48 VanDerWaalsContact CE1-CZ 3.42Å; Y13-R48 HydrophobicContact CE2-CG 3.64Å; Y13-R48 WeakPolarHBondContact OH-CG 3.46Å; Y13-R48 PolarHBondContact OH-NE 2.98Å; Y13-R48 VanDerWaalsContact OH-NE 3.08Å; A45-R48 PolarHBondContact O-N 2.97Å; A45-R48 VanDerWaalsContact O-N 3.12Å; C46-R48 VanDerWaalsContact C-N 3.28Å; C46-R48 PolarHBondContact O-N 3.12Å; R48-T50 VanDerWaalsContact C-N 3.3Å; R48-T50 PolarHBondContact O-N 3.06Å; R48-E51 VanDerWaalsContact CD-OE2 3.24Å; R48-E51 WeakPolarHBondContact CD-OE2 3.5Å; R48-E51 IonicContact CZ-OE2 2.75Å; R48-E51 IonicContact NE-OE2 3.37Å; R48-E51 IonicContact NH1-OE2 3.92Å; R48-E51 PolarHBondContact NH1-OE2 3.2Å; R48-E51 PolarHBondContact O-N 3.07Å; R48-L52 WeakPolarHBondContact O-CG 3.48Å; R48-L52 PolarHBondContact O-N 3.32Å
49	F	83.1	Confident	79.4	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-39.2	173.3	-66.9	-26.1	0	0	0	112.1	L27 I40 A45 C46 E51 L52 I53 T64 I67 L68 I71	L27-F49 HydrophobicContact CD1-CE1 4.09Å; L27-F49 HydrophobicContact CD1-CZ 4.14Å; I40-F49 HydrophobicContact CG2-CE2 3.35Å; I40-F49 HydrophobicContact CG2-CZ 3.62Å; A45-F49 HydrophobicContact CB-CD2 4.36Å; A45-F49 HydrophobicContact CB-CE1 4.2Å; A45-F49 HydrophobicContact CB-CE2 3.73Å; A45-F49 HydrophobicContact CB-CZ 3.63Å; A45-F49 WeakPolarHBondContact O-CG 3.38Å; A45-F49 PolarHBondContact O-N 3.49Å; C46-F49 WeakPolarHBondContact O-CB 3.35Å; C46-F49 PolarHBondContact O-N 3.39Å; F49-E51 VanDerWaalsContact C-N 3.27Å; F49-E51 PolarHBondContact O-N 3.24Å; F49-L52 HydrophobicContact CD1-CD1 4.3Å; F49-L52 PolarHBondContact O-N 3.16Å; F49-I53 WeakPolarHBondContact O-CD1 3.28Å; F49-I53 WeakPolarHBondContact O-CG1 3.31Å; F49-I53 PolarHBondContact O-N 3.02Å; F49-T64 VanDerWaalsContact CA-CG2 3.43Å; F49-T64 HydrophobicContact CB-CG2 3.31Å; F49-T64 HydrophobicContact CD1-CG2 3.76Å; F49-T64 HydrophobicContact CG-CG2 3.73Å; F49-T64 WeakPolarHBondContact O-CG2 3.16Å; F49-I67 HydrophobicContact CD2-CG2 4.21Å; F49-I67 HydrophobicContact CE2-CG2 3.66Å; F49-I67 HydrophobicContact CZ-CG2 4.07Å; F49-L68 HydrophobicContact CB-CD1 3.62Å; F49-L68 HydrophobicContact CB-CD2 4.25Å; F49-L68 HydrophobicContact CB-CG 3.92Å; F49-L68 HydrophobicContact CD2-CD2 4.18Å; F49-L68 HydrophobicContact CD2-CG 4.19Å; F49-L68 HydrophobicContact CG-CG 4.49Å; F49-I71 HydrophobicContact CE2-CD1 4.33Å
50	T	78.2	Confident	79.4	Confident	77 Å²	77	62.2 Å²	62.2	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-39.9	174.6	-51.5	0	0	0	0	111.8	C46 P47 R48	C46-T50 PolarHBondContact O-N 2.79Å; C46-T50 VanDerWaalsContact O-N 3.16Å; C46-T50 PolarHBondContact O-OG1 3.48Å; P47-T50 WeakPolarHBondContact O-CB 3.45Å; P47-T50 PolarHBondContact O-N 3.48Å; R48-T50 VanDerWaalsContact C-N 3.3Å; R48-T50 PolarHBondContact O-N 3.06Å
51	E	80.8	Confident	79.6	Confident	100 Å²	100	61.9 Å²	61.9	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-39.9	174.9	-65.3	172	-168.6	0	0	112.5	P47 R48 F49 I53 Q54 S55	P47-E51 PolarHBondContact O-N 3.17Å; R48-E51 VanDerWaalsContact CD-OE2 3.24Å; R48-E51 WeakPolarHBondContact CD-OE2 3.5Å; R48-E51 IonicContact CZ-OE2 2.75Å; R48-E51 IonicContact NE-OE2 3.37Å; R48-E51 IonicContact NH1-OE2 3.92Å; R48-E51 PolarHBondContact NH1-OE2 3.2Å; R48-E51 PolarHBondContact O-N 3.07Å; F49-E51 VanDerWaalsContact C-N 3.27Å; F49-E51 PolarHBondContact O-N 3.24Å; E51-I53 VanDerWaalsContact C-N 3.31Å; E51-I53 PolarHBondContact O-N 2.87Å; E51-Q54 WeakPolarHBondContact O-CB 3.35Å; E51-Q54 PolarHBondContact O-N 3.42Å; E51-Q54 VanDerWaalsContact O-N 3.12Å; E51-S55 PolarHBondContact O-N 2.86Å
52	L	79.6	Confident	79.7	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-30.1	178.2	-78.1	-176.8	0	0	0	113.4	V12 R48 F49 Q54 S55 I60 T64	V12-L52 HydrophobicContact CB-CD1 4.26Å; V12-L52 HydrophobicContact CG1-CD1 3.3Å; V12-L52 HydrophobicContact CG1-CD2 3.96Å; V12-L52 HydrophobicContact CG1-CG 3.73Å; V12-L52 HydrophobicContact CG2-CD1 4Å; R48-L52 WeakPolarHBondContact O-CG 3.48Å; R48-L52 PolarHBondContact O-N 3.32Å; F49-L52 HydrophobicContact CD1-CD1 4.3Å; F49-L52 PolarHBondContact O-N 3.16Å; L52-Q54 PolarHBondContact O-N 3.02Å; L52-S55 WeakPolarHBondContact O-CB 3.39Å; L52-S55 PolarHBondContact O-N 3.42Å; L52-S55 PolarHBondContact O-OG 3.42Å; L52-I60 HydrophobicContact CB-CG2 4.04Å; L52-I60 HydrophobicContact CD1-CG2 4.14Å; L52-I60 HydrophobicContact CD2-CG2 3.79Å; L52-I60 HydrophobicContact CG-CG2 4.21Å; L52-T64 HydrophobicContact CB-CG2 4.05Å
53	I	80.4	Confident	79.9	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-31.1	173.6	-73.7	158.2	0	0	0	111.3	F49 E51 S55 A61 T64 L68 L87	F49-I53 WeakPolarHBondContact O-CD1 3.28Å; F49-I53 WeakPolarHBondContact O-CG1 3.31Å; F49-I53 PolarHBondContact O-N 3.02Å; E51-I53 VanDerWaalsContact C-N 3.31Å; E51-I53 PolarHBondContact O-N 2.87Å; I53-S55 VanDerWaalsContact C-N 3.26Å; I53-A61 WeakPolarHBondContact O-CB 3.46Å; I53-T64 HydrophobicContact CD1-CG2 4.17Å; I53-T64 HydrophobicContact CG1-CG2 3.81Å; I53-L68 HydrophobicContact CD1-CD1 3.25Å; I53-L68 HydrophobicContact CG1-CD1 4.48Å; I53-L87 HydrophobicContact CD1-CD2 3.24Å; I53-L87 HydrophobicContact CG1-CD2 4.05Å; I53-L87 HydrophobicContact CG2-CD2 4.33Å
54	Q	77.7	Confident	80.3	Confident	139 Å²	139	55.2 Å²	55.2	65%	0.65	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	0.8	175.9	-59.9	176.9	-7.2	0	0	112.7	E51 L52	E51-Q54 WeakPolarHBondContact O-CB 3.35Å; E51-Q54 PolarHBondContact O-N 3.42Å; E51-Q54 VanDerWaalsContact O-N 3.12Å; L52-Q54 PolarHBondContact O-N 3.02Å
55	S	71.6	Confident	80.7	Confident	34 Å²	34	53.3 Å²	53.3	24%	0.238	28%	0.276	C	S	.	.	S	Bend	trans	-69.4	144.5	177.4	74.1	0	0	0	0	110.7	E51 L52 I53 N57	E51-S55 PolarHBondContact O-N 2.86Å; L52-S55 WeakPolarHBondContact O-CB 3.39Å; L52-S55 PolarHBondContact O-N 3.42Å; L52-S55 PolarHBondContact O-OG 3.42Å; I53-S55 VanDerWaalsContact C-N 3.26Å; S55-N57 PolarHBondContact O-N 3.41Å
56	N	72.5	Confident	81.2	Confident	176 Å²	176	54.2 Å²	54.2	94%	0.941	28%	0.283	S	S	*	.	S	Bend	trans	-61.7	-1.7	175.8	-65.6	-6.7	0	0	0	113.9
57	N	78.7	Confident	81.7	Confident	38 Å²	38	52.5 Å²	52.5	20%	0.203	27%	0.272	C	S	.	.			trans	-99.6	105.3	-179.1	-169.5	-66.4	0	0	0	110.5	V17 S55 Y59 I60 A61	V17-N57 HydrophobicContact CG1-CB 4.49Å; V17-N57 WeakPolarHBondContact CG1-ND2 3.35Å; S55-N57 PolarHBondContact O-N 3.41Å; N57-Y59 PolarHBondContact O-N 2.89Å; N57-Y59 VanDerWaalsContact O-N 3.17Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.35Å; N57-Y59 PolarHBondContact OD1-N 3.32Å; N57-Y59 VanDerWaalsContact OD1-N 3.07Å; N57-I60 HydrophobicContact CB-CB 4.06Å; N57-I60 HydrophobicContact CB-CD1 3.85Å; N57-I60 HydrophobicContact CB-CG1 4.04Å; N57-I60 PolarHBondContact O-N 3.21Å; N57-I60 VanDerWaalsContact O-N 3.09Å; N57-I60 PolarHBondContact OD1-N 2.96Å; N57-I60 VanDerWaalsContact OD1-N 3.1Å; N57-A61 PolarHBondContact O-N 3.45Å
58	E	80.4	Confident	82	Confident	76 Å²	76	49 Å²	49	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-47.3	-44.4	178.4	69.8	178.6	158.7	0	0	113.1	A61 A62 L96	E58-A61 PolarHBondContact O-N 2.92Å; E58-A62 VanDerWaalsContact O-CB 3.3Å; E58-A62 WeakPolarHBondContact O-CB 3.08Å; E58-A62 PolarHBondContact O-N 3.48Å; E58-L96 HydrophobicContact CB-CB 4.45Å; E58-L96 HydrophobicContact CB-CD1 3.5Å; E58-L96 HydrophobicContact CB-CG 3.85Å; E58-L96 HydrophobicContact CG-CD1 4.44Å; E58-L96 WeakPolarHBondContact O-CD1 3.29Å
59	Y	82.8	Confident	82.4	Confident	112 Å²	112	48.6 Å²	48.6	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-69.3	-42.9	-176.9	-59.7	-79.5	0	0	0	111.5	N57 A62 Y63	N57-Y59 PolarHBondContact O-N 2.89Å; N57-Y59 VanDerWaalsContact O-N 3.17Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.35Å; N57-Y59 PolarHBondContact OD1-N 3.32Å; N57-Y59 VanDerWaalsContact OD1-N 3.07Å; Y59-A62 PolarHBondContact O-N 3.15Å; Y59-Y63 WeakPolarHBondContact O-CB 3.42Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.2Å; Y59-Y63 PolarHBondContact O-N 3.44Å
60	I	83.9	Confident	82.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-45.6	178	-66.3	176.4	0	0	0	109.4	V17 Q20 R21 L52 N57 A62 Y63 T64	V17-I60 HydrophobicContact CG1-CD1 4.01Å; Q20-I60 HydrophobicContact CB-CD1 3.7Å; R21-I60 HydrophobicContact CB-CD1 4.44Å; R21-I60 HydrophobicContact CB-CG1 4.07Å; L52-I60 HydrophobicContact CB-CG2 4.04Å; L52-I60 HydrophobicContact CD1-CG2 4.14Å; L52-I60 HydrophobicContact CD2-CG2 3.79Å; L52-I60 HydrophobicContact CG-CG2 4.21Å; N57-I60 HydrophobicContact CB-CB 4.06Å; N57-I60 HydrophobicContact CB-CD1 3.85Å; N57-I60 HydrophobicContact CB-CG1 4.04Å; N57-I60 PolarHBondContact O-N 3.21Å; N57-I60 VanDerWaalsContact O-N 3.09Å; N57-I60 PolarHBondContact OD1-N 2.96Å; N57-I60 VanDerWaalsContact OD1-N 3.1Å; I60-A62 PolarHBondContact O-N 3.37Å; I60-Y63 PolarHBondContact O-N 2.96Å; I60-T64 VanDerWaalsContact O-CB 3.22Å; I60-T64 WeakPolarHBondContact O-CB 3.24Å; I60-T64 PolarHBondContact O-N 3.08Å; I60-T64 PolarHBondContact O-OG1 3.19Å
61	A	85.2	Confident	82.9	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-47.1	176.8	0	0	0	0	0	111.3	I53 N57 E58 T64 A65 L91	I53-A61 WeakPolarHBondContact O-CB 3.46Å; N57-A61 PolarHBondContact O-N 3.45Å; E58-A61 PolarHBondContact O-N 2.92Å; A61-T64 PolarHBondContact O-N 2.96Å; A61-A65 VanDerWaalsContact O-CB 3.29Å; A61-A65 WeakPolarHBondContact O-CB 3.27Å; A61-A65 PolarHBondContact O-N 3.01Å; A61-L91 HydrophobicContact CB-CD2 3.73Å
62	A	85.6	Confident	83.2	Confident	34 Å²	34	44 Å²	44	28%	0.281	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-47.2	179.2	0	0	0	0	0	113.2	E58 Y59 I60 T64 A65 A66 L96	E58-A62 VanDerWaalsContact O-CB 3.3Å; E58-A62 WeakPolarHBondContact O-CB 3.08Å; E58-A62 PolarHBondContact O-N 3.48Å; Y59-A62 PolarHBondContact O-N 3.15Å; I60-A62 PolarHBondContact O-N 3.37Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.4Å; A62-A65 PolarHBondContact O-N 3.01Å; A62-A66 PolarHBondContact O-N 2.94Å; A62-L96 HydrophobicContact CB-CD1 3.86Å
63	Y	87.3	Confident	83.4	Confident	88 Å²	88	49 Å²	49	35%	0.345	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-39.5	177.6	-72.7	-54.6	0	0	0	111.6	R21 T24 A25 Y59 I60 A66 I67	R21-Y63 HydrophobicContact CG-CE2 4.32Å; T24-Y63 VanDerWaalsContact CG2-CB 3.46Å; A25-Y63 HydrophobicContact CB-CD2 4.39Å; A25-Y63 HydrophobicContact CB-CE2 4.18Å; Y59-Y63 WeakPolarHBondContact O-CB 3.42Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.2Å; Y59-Y63 PolarHBondContact O-N 3.44Å; I60-Y63 PolarHBondContact O-N 2.96Å; Y63-A66 PolarHBondContact O-N 3.33Å; Y63-I67 WeakPolarHBondContact O-CG1 3.5Å; Y63-I67 PolarHBondContact O-N 3.24Å
64	T	87.7	Confident	83.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-43.7	179	-55.6	0	0	0	0	111.6	T24 F49 L52 I53 I60 A61 A62 A66 I67 L68	T24-T64 VanDerWaalsContact CG2-OG1 3.28Å; T24-T64 WeakPolarHBondContact CG2-OG1 3.36Å; F49-T64 VanDerWaalsContact CA-CG2 3.43Å; F49-T64 HydrophobicContact CB-CG2 3.31Å; F49-T64 HydrophobicContact CD1-CG2 3.76Å; F49-T64 HydrophobicContact CG-CG2 3.73Å; F49-T64 WeakPolarHBondContact O-CG2 3.16Å; L52-T64 HydrophobicContact CB-CG2 4.05Å; I53-T64 HydrophobicContact CD1-CG2 4.17Å; I53-T64 HydrophobicContact CG1-CG2 3.81Å; I60-T64 VanDerWaalsContact O-CB 3.22Å; I60-T64 WeakPolarHBondContact O-CB 3.24Å; I60-T64 PolarHBondContact O-N 3.08Å; I60-T64 PolarHBondContact O-OG1 3.19Å; A61-T64 PolarHBondContact O-N 2.96Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.4Å; T64-A66 VanDerWaalsContact C-N 3.29Å; T64-A66 PolarHBondContact O-N 2.86Å; T64-I67 PolarHBondContact O-N 2.88Å; T64-L68 HydrophobicContact CG2-CD1 4.38Å; T64-L68 PolarHBondContact O-N 2.91Å
65	A	86.6	Confident	83.5	Confident	7 Å²	7	49.8 Å²	49.8	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-42.8	173.2	0	0	0	0	0	111.6	A61 A62 L68 H69 L87 L91	A61-A65 VanDerWaalsContact O-CB 3.29Å; A61-A65 WeakPolarHBondContact O-CB 3.27Å; A61-A65 PolarHBondContact O-N 3.01Å; A62-A65 PolarHBondContact O-N 3.01Å; A65-L68 PolarHBondContact O-N 3.33Å; A65-H69 VanDerWaalsContact O-CB 3.31Å; A65-H69 WeakPolarHBondContact O-CB 3.27Å; A65-H69 PolarHBondContact O-N 3.3Å; A65-L87 HydrophobicContact CB-CD1 4.09Å; A65-L87 HydrophobicContact CB-CD2 3.75Å; A65-L87 HydrophobicContact CB-CG 4.33Å; A65-L91 HydrophobicContact CB-CD1 4.14Å
66	A	87.4	Confident	84	Confident	31 Å²	31	52.7 Å²	52.7	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-41.2	177.1	0	0	0	0	0	112.7	A62 Y63 T64 R70	A62-A66 PolarHBondContact O-N 2.94Å; Y63-A66 PolarHBondContact O-N 3.33Å; T64-A66 VanDerWaalsContact C-N 3.29Å; T64-A66 PolarHBondContact O-N 2.86Å; A66-R70 VanDerWaalsContact O-CG 3.27Å; A66-R70 WeakPolarHBondContact O-CG 3.22Å; A66-R70 PolarHBondContact O-N 3.26Å
67	I	87.7	Confident	84.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-50.5	175.9	-67.4	160	0	0	0	110.2	T24 L27 I40 F49 Y63 T64 H69 R70 I71	T24-I67 HydrophobicContact CG2-CD1 3.86Å; L27-I67 HydrophobicContact CB-CD1 3.69Å; I40-I67 HydrophobicContact CD1-CG2 4.36Å; I40-I67 HydrophobicContact CG2-CG2 4.31Å; F49-I67 HydrophobicContact CD2-CG2 4.21Å; F49-I67 HydrophobicContact CE2-CG2 3.66Å; F49-I67 HydrophobicContact CZ-CG2 4.07Å; Y63-I67 WeakPolarHBondContact O-CG1 3.5Å; Y63-I67 PolarHBondContact O-N 3.24Å; T64-I67 PolarHBondContact O-N 2.88Å; I67-H69 VanDerWaalsContact C-N 3.33Å; I67-H69 PolarHBondContact O-N 3.5Å; I67-R70 PolarHBondContact O-N 2.94Å; I67-R70 VanDerWaalsContact O-N 3.15Å; I67-I71 HydrophobicContact CG2-CD1 3.72Å; I67-I71 HydrophobicContact CG2-CG1 4.39Å; I67-I71 WeakPolarHBondContact O-CG1 3.2Å; I67-I71 PolarHBondContact O-N 3.44Å
68	L	86.7	Confident	84.6	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-40.1	180	-81.8	168.2	0	0	0	112.1	F49 I53 T64 A65 R70 I71 A72 L83	F49-L68 HydrophobicContact CB-CD1 3.62Å; F49-L68 HydrophobicContact CB-CD2 4.25Å; F49-L68 HydrophobicContact CB-CG 3.92Å; F49-L68 HydrophobicContact CD2-CD2 4.18Å; F49-L68 HydrophobicContact CD2-CG 4.19Å; F49-L68 HydrophobicContact CG-CG 4.49Å; I53-L68 HydrophobicContact CD1-CD1 3.25Å; I53-L68 HydrophobicContact CG1-CD1 4.48Å; T64-L68 HydrophobicContact CG2-CD1 4.38Å; T64-L68 PolarHBondContact O-N 2.91Å; A65-L68 PolarHBondContact O-N 3.33Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.43Å; L68-I71 PolarHBondContact O-N 3.34Å; L68-A72 VanDerWaalsContact O-CB 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.31Å; L68-L83 HydrophobicContact CB-CD2 4.32Å
69	H	86.4	Confident	84.7	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.301	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-39.3	175.4	-176.3	-121.3	0	0	0	111.7	A65 I67 A72 Q73 L87	A65-H69 VanDerWaalsContact O-CB 3.31Å; A65-H69 WeakPolarHBondContact O-CB 3.27Å; A65-H69 PolarHBondContact O-N 3.3Å; I67-H69 VanDerWaalsContact C-N 3.33Å; I67-H69 PolarHBondContact O-N 3.5Å; H69-A72 PolarHBondContact O-N 3.1Å; H69-Q73 WeakPolarHBondContact O-CG 2.99Å; H69-Q73 PolarHBondContact O-N 3.09Å; H69-L87 HydrophobicContact CB-CD1 4.5Å
70	R	87.6	Confident	84.7	Confident	71 Å²	71	52 Å²	52	27%	0.268	27%	0.267	S	S	.	.	H	α-helix	trans	-70.1	-41.9	176.3	-71.3	168.2	-178.1	168.9	-0.3	112.7	S28 S31 A66 I67 L68 A72 Q73	S28-R70 PolarHBondContact O-NH1 3.36Å; S28-R70 PolarHBondContact OG-NH1 3.42Å; S31-R70 WeakPolarHBondContact O-CD 3.36Å; S31-R70 WeakPolarHBondContact OG-CD 3.11Å; S31-R70 PolarHBondContact OG-NH1 2.69Å; A66-R70 VanDerWaalsContact O-CG 3.27Å; A66-R70 WeakPolarHBondContact O-CG 3.22Å; A66-R70 PolarHBondContact O-N 3.26Å; I67-R70 PolarHBondContact O-N 2.94Å; I67-R70 VanDerWaalsContact O-N 3.15Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.43Å; R70-A72 VanDerWaalsContact C-N 3.26Å; R70-A72 PolarHBondContact O-N 2.64Å; R70-Q73 WeakPolarHBondContact O-CB 3.4Å; R70-Q73 PolarHBondContact O-N 2.96Å; R70-Q73 VanDerWaalsContact O-N 3.15Å
71	I	85.3	Confident	84.5	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-40.2	173.2	-66.3	168.8	0	0	0	110	C37 I40 E41 F49 I67 L68 Q73	C37-I71 HydrophobicContact CB-CG1 4.12Å; I40-I71 HydrophobicContact CB-CD1 4.26Å; I40-I71 HydrophobicContact CG2-CD1 3.76Å; E41-I71 HydrophobicContact CB-CG2 4.22Å; E41-I71 HydrophobicContact CG-CG2 4.32Å; F49-I71 HydrophobicContact CE2-CD1 4.33Å; I67-I71 HydrophobicContact CG2-CD1 3.72Å; I67-I71 HydrophobicContact CG2-CG1 4.39Å; I67-I71 WeakPolarHBondContact O-CG1 3.2Å; I67-I71 PolarHBondContact O-N 3.44Å; L68-I71 PolarHBondContact O-N 3.34Å; I71-Q73 PolarHBondContact O-N 2.95Å
72	A	86.1	Confident	84.6	Confident	3 Å²	3	67.1 Å²	67.1	3%	0.025	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-71.9	-9.9	178	0	0	0	0	0	114.3	L68 H69 R70 D74 K75 Y79 R80 L83	L68-A72 VanDerWaalsContact O-CB 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.31Å; H69-A72 PolarHBondContact O-N 3.1Å; R70-A72 VanDerWaalsContact C-N 3.26Å; R70-A72 PolarHBondContact O-N 2.64Å; A72-D74 PolarHBondContact O-N 3.41Å; A72-K75 WeakPolarHBondContact O-CB 3.35Å; A72-K75 PolarHBondContact O-N 3.19Å; A72-Y79 HydrophobicContact CB-CD1 4.1Å; A72-Y79 HydrophobicContact CB-CE1 3.96Å; A72-R80 HydrophobicContact CB-CG 4.3Å; A72-R80 WeakPolarHBondContact O-CD 3.24Å; A72-R80 WeakPolarHBondContact O-CG 3.29Å; A72-L83 HydrophobicContact CB-CD2 3.46Å; A72-L83 VanDerWaalsContact CB-CD2 3.46Å
73	Q	83.9	Confident	84.4	Confident	117 Å²	117	66.1 Å²	66.1	55%	0.547	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.3	-28.8	177.2	-73.3	-177.7	-6.6	0	0	112.8	H69 R70 I71 K75	H69-Q73 WeakPolarHBondContact O-CG 2.99Å; H69-Q73 PolarHBondContact O-N 3.09Å; R70-Q73 WeakPolarHBondContact O-CB 3.4Å; R70-Q73 PolarHBondContact O-N 2.96Å; R70-Q73 VanDerWaalsContact O-N 3.15Å; I71-Q73 PolarHBondContact O-N 2.95Å; Q73-K75 VanDerWaalsContact C-N 3.29Å
74	D	80.2	Confident	84.1	Confident	87 Å²	87	63.6 Å²	63.6	47%	0.465	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-83	-2.2	175.3	-91.5	-28.5	0	0	0	113.1	R34 A72	R34-D74 IonicContact CZ-OD1 2.67Å; R34-D74 IonicContact CZ-OD2 2.72Å; R34-D74 IonicContact NE-OD1 3.48Å; R34-D74 PolarHBondContact NE-OD1 3.49Å; R34-D74 IonicContact NE-OD2 3.26Å; R34-D74 PolarHBondContact NE-OD2 2.98Å; R34-D74 VanDerWaalsContact NH2-CG 3.34Å; R34-D74 IonicContact NH2-OD1 3.13Å; R34-D74 PolarHBondContact NH2-OD1 3.48Å; R34-D74 IonicContact NH2-OD2 3.93Å; R34-D74 PolarHBondContact NH2-OD2 3.42Å; A72-D74 PolarHBondContact O-N 3.41Å
75	K	80.9	Confident	83.8	Confident	79 Å²	79	67.9 Å²	67.9	34%	0.343	33%	0.331	S	S	.	.	S	Bend	trans	-98.6	157.1	-178.9	-55.9	-66.3	-175.6	-173.6	0	111	E41 A72 Q73 Y79	E41-K75 VanDerWaalsContact OE1-CE 3.23Å; E41-K75 WeakPolarHBondContact OE1-CE 3.03Å; E41-K75 IonicContact OE1-NZ 3.51Å; E41-K75 PolarHBondContact OE1-NZ 3.36Å; E41-K75 IonicContact OE2-NZ 3.71Å; A72-K75 WeakPolarHBondContact O-CB 3.35Å; A72-K75 PolarHBondContact O-N 3.19Å; Q73-K75 VanDerWaalsContact C-N 3.29Å; K75-Y79 HydrophobicContact CB-CD1 3.64Å; K75-Y79 HydrophobicContact CB-CE1 4.37Å; K75-Y79 HydrophobicContact CB-CG 4.22Å; K75-Y79 HydrophobicContact CG-CD1 3.91Å; K75-Y79 HydrophobicContact CG-CE1 4.14Å
76	P	80.4	Confident	83.6	Confident	96 Å²	96	71.5 Å²	71.5	62%	0.623	35%	0.346	S	S	*	.			trans	-57.1	151.1	179.6	20.7	-33	0	0	0	113.1	A78 Y79 R80	P76-A78 PolarHBondContact O-N 3.43Å; P76-A78 VanDerWaalsContact O-N 3.14Å; P76-Y79 WeakPolarHBondContact O-CB 3.3Å; P76-Y79 PolarHBondContact O-N 2.85Å; P76-R80 PolarHBondContact O-N 3.36Å
77	E	82.2	Confident	83.2	Confident	110 Å²	110	70.7 Å²	70.7	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-56.5	-36.2	-172.9	-168.7	-177.1	175.1	0	0	113.5	Y79 R80 R81	E77-Y79 VanDerWaalsContact C-N 3.29Å; E77-Y79 PolarHBondContact O-N 2.89Å; E77-R80 PolarHBondContact O-N 3.37Å; E77-R81 HydrophobicContact CG-CG 4.44Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 2.87Å; E77-R81 IonicContact OE1-CZ 3.31Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 3.34Å; E77-R81 PolarHBondContact OE1-NE 3.21Å; E77-R81 VanDerWaalsContact OE1-NE 3.13Å; E77-R81 IonicContact OE1-NH2 2.85Å; E77-R81 PolarHBondContact OE1-NH2 2.97Å; E77-R81 IonicContact OE2-NH2 2.89Å
78	A	82.2	Confident	82.6	Confident	80 Å²	80	75.4 Å²	75.4	66%	0.661	36%	0.355	S	S	*	.	H	α-helix	trans	-58.8	-40.1	176.2	0	0	0	0	0	112.5	P76 R82	P76-A78 PolarHBondContact O-N 3.43Å; P76-A78 VanDerWaalsContact O-N 3.14Å; A78-R82 PolarHBondContact O-N 3.39Å; A78-R82 VanDerWaalsContact O-N 3.15Å
79	Y	82.2	Confident	82	Confident	119 Å²	119	80.6 Å²	80.6	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-44.6	177	-177.4	-96.6	0	0	0	111.1	A72 K75 P76 E77 R81 R82 L83	A72-Y79 HydrophobicContact CB-CD1 4.1Å; A72-Y79 HydrophobicContact CB-CE1 3.96Å; K75-Y79 HydrophobicContact CB-CD1 3.64Å; K75-Y79 HydrophobicContact CB-CE1 4.37Å; K75-Y79 HydrophobicContact CB-CG 4.22Å; K75-Y79 HydrophobicContact CG-CD1 3.91Å; K75-Y79 HydrophobicContact CG-CE1 4.14Å; P76-Y79 WeakPolarHBondContact O-CB 3.3Å; P76-Y79 PolarHBondContact O-N 2.85Å; E77-Y79 VanDerWaalsContact C-N 3.29Å; E77-Y79 PolarHBondContact O-N 2.89Å; Y79-R81 PolarHBondContact O-N 3.42Å; Y79-R82 PolarHBondContact O-N 2.83Å; Y79-L83 HydrophobicContact CE1-CD2 4.34Å; Y79-L83 WeakPolarHBondContact O-CB 3.43Å; Y79-L83 PolarHBondContact O-N 3.17Å
80	R	82.9	Confident	81.3	Confident	78 Å²	78	79.1 Å²	79.1	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-46.7	176.3	-70.4	173.6	7.5	94.3	0.2	111.9	A72 P76 E77 L83 S84	A72-R80 HydrophobicContact CB-CG 4.3Å; A72-R80 WeakPolarHBondContact O-CD 3.24Å; A72-R80 WeakPolarHBondContact O-CG 3.29Å; P76-R80 PolarHBondContact O-N 3.36Å; E77-R80 PolarHBondContact O-N 3.37Å; R80-L83 PolarHBondContact O-N 3.01Å; R80-S84 WeakPolarHBondContact O-CB 3.42Å; R80-S84 PolarHBondContact O-N 3.07Å; R80-S84 PolarHBondContact O-OG 3.15Å
81	R	81.2	Confident	80.5	Confident	156 Å²	156	77 Å²	77	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-62.2	-45.1	179.6	-72.8	-173.5	-170.7	175.5	1.8	111.5	E77 Y79 S84 L85	E77-R81 HydrophobicContact CG-CG 4.44Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 2.87Å; E77-R81 IonicContact OE1-CZ 3.31Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 3.34Å; E77-R81 PolarHBondContact OE1-NE 3.21Å; E77-R81 VanDerWaalsContact OE1-NE 3.13Å; E77-R81 IonicContact OE1-NH2 2.85Å; E77-R81 PolarHBondContact OE1-NH2 2.97Å; E77-R81 IonicContact OE2-NH2 2.89Å; Y79-R81 PolarHBondContact O-N 3.42Å; R81-S84 PolarHBondContact O-N 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.27Å; R81-L85 PolarHBondContact O-N 3.47Å
82	R	86.1	Confident	79.7	Confident	166 Å²	166	79.2 Å²	79.2	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-61	-50.3	176.6	179.9	178.3	166.3	171.1	-1.4	111.5	A78 Y79 S84 L85 E86	A78-R82 PolarHBondContact O-N 3.39Å; A78-R82 VanDerWaalsContact O-N 3.15Å; Y79-R82 PolarHBondContact O-N 2.83Å; R82-S84 VanDerWaalsContact C-N 3.33Å; R82-S84 PolarHBondContact O-N 3.01Å; R82-L85 WeakPolarHBondContact O-CB 3.47Å; R82-L85 PolarHBondContact O-N 3.5Å; R82-L85 VanDerWaalsContact O-N 3.08Å; R82-E86 IonicContact CZ-OE1 3.42Å; R82-E86 IonicContact NE-OE1 3.62Å; R82-E86 PolarHBondContact NE-OE1 2.73Å; R82-E86 IonicContact NH2-OE1 2.62Å; R82-E86 PolarHBondContact NH2-OE1 2.62Å; R82-E86 PolarHBondContact O-N 3.16Å
83	L	82.1	Confident	78.8	Confident	14 Å²	14	86 Å²	86	7%	0.073	42%	0.415	C	S	.	.	H	α-helix	trans	-58.5	-45.9	177.6	-179.5	67.7	0	0	0	111.1	L68 A72 Y79 R80 L85 E86 L87	L68-L83 HydrophobicContact CB-CD2 4.32Å; A72-L83 HydrophobicContact CB-CD2 3.46Å; A72-L83 VanDerWaalsContact CB-CD2 3.46Å; Y79-L83 HydrophobicContact CE1-CD2 4.34Å; Y79-L83 WeakPolarHBondContact O-CB 3.43Å; Y79-L83 PolarHBondContact O-N 3.17Å; R80-L83 PolarHBondContact O-N 3.01Å; L83-L85 PolarHBondContact O-N 3.49Å; L83-E86 PolarHBondContact O-N 3.14Å; L83-E86 VanDerWaalsContact O-N 3.17Å; L83-L87 HydrophobicContact CD1-CD1 4.38Å; L83-L87 HydrophobicContact CD1-CD2 4.49Å; L83-L87 HydrophobicContact CD1-CG 4.18Å; L83-L87 HydrophobicContact CD2-CD1 4.42Å; L83-L87 HydrophobicContact CG-CD1 3.92Å; L83-L87 HydrophobicContact CG-CG 4.14Å; L83-L87 WeakPolarHBondContact O-CB 3.11Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 3.07Å
84	S	80.4	Confident	77.6	Confident	35 Å²	35	82.9 Å²	82.9	25%	0.245	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-29.7	177.3	-65	0	0	0	0	113.2	R80 R81 R82 R88	R80-S84 WeakPolarHBondContact O-CB 3.42Å; R80-S84 PolarHBondContact O-N 3.07Å; R80-S84 PolarHBondContact O-OG 3.15Å; R81-S84 PolarHBondContact O-N 3.29Å; R82-S84 VanDerWaalsContact C-N 3.33Å; R82-S84 PolarHBondContact O-N 3.01Å; S84-R88 WeakPolarHBondContact O-CB 3.17Å; S84-R88 PolarHBondContact O-N 2.88Å; S84-R88 PolarHBondContact O-NH2 3.08Å; S84-R88 VanDerWaalsContact O-NH2 3.15Å
85	L	81.9	Confident	76.7	Confident	90 Å²	90	81.2 Å²	81.2	47%	0.471	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-47.6	171.6	-71.7	166.6	0	0	0	111.3	R81 R82 L83 R88 Q89	R81-L85 WeakPolarHBondContact O-CG 3.27Å; R81-L85 PolarHBondContact O-N 3.47Å; R82-L85 WeakPolarHBondContact O-CB 3.47Å; R82-L85 PolarHBondContact O-N 3.5Å; R82-L85 VanDerWaalsContact O-N 3.08Å; L83-L85 PolarHBondContact O-N 3.49Å; L85-R88 PolarHBondContact O-N 3.03Å; L85-Q89 WeakPolarHBondContact O-CG 3.39Å; L85-Q89 PolarHBondContact O-N 3.33Å; L85-Q89 VanDerWaalsContact O-N 3.07Å
86	E	81.5	Confident	75.5	Confident	82 Å²	82	80.4 Å²	80.4	38%	0.383	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-48	178.4	-68.9	173.1	-173.1	0	0	111.3	R82 L83 R88 Q89 S90	R82-E86 IonicContact CZ-OE1 3.42Å; R82-E86 IonicContact NE-OE1 3.62Å; R82-E86 PolarHBondContact NE-OE1 2.73Å; R82-E86 IonicContact NH2-OE1 2.62Å; R82-E86 PolarHBondContact NH2-OE1 2.62Å; R82-E86 PolarHBondContact O-N 3.16Å; L83-E86 PolarHBondContact O-N 3.14Å; L83-E86 VanDerWaalsContact O-N 3.17Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 3.41Å; E86-Q89 PolarHBondContact O-N 3.36Å; E86-S90 PolarHBondContact O-N 3.1Å; E86-S90 PolarHBondContact O-OG 3.3Å
87	L	78.5	Confident	74.3	Confident	14 Å²	14	79.4 Å²	79.4	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-59.2	-42.3	177.5	-69.6	178.2	0	0	0	112.3	I53 A65 H69 L83 S90 L91	I53-L87 HydrophobicContact CD1-CD2 3.24Å; I53-L87 HydrophobicContact CG1-CD2 4.05Å; I53-L87 HydrophobicContact CG2-CD2 4.33Å; A65-L87 HydrophobicContact CB-CD1 4.09Å; A65-L87 HydrophobicContact CB-CD2 3.75Å; A65-L87 HydrophobicContact CB-CG 4.33Å; H69-L87 HydrophobicContact CB-CD1 4.5Å; L83-L87 HydrophobicContact CD1-CD1 4.38Å; L83-L87 HydrophobicContact CD1-CD2 4.49Å; L83-L87 HydrophobicContact CD1-CG 4.18Å; L83-L87 HydrophobicContact CD2-CD1 4.42Å; L83-L87 HydrophobicContact CG-CD1 3.92Å; L83-L87 HydrophobicContact CG-CG 4.14Å; L83-L87 WeakPolarHBondContact O-CB 3.11Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 3.07Å; L87-S90 PolarHBondContact O-N 3.17Å; L87-L91 WeakPolarHBondContact O-CB 3.19Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 2.67Å
88	R	75.5	Confident	73	Confident	99 Å²	99	80.2 Å²	80.2	37%	0.374	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-46.8	179.4	178.5	167.4	0.3	71.2	8.2	110.4	S84 L85 E86 S90 L91 F92	S84-R88 WeakPolarHBondContact O-CB 3.17Å; S84-R88 PolarHBondContact O-N 2.88Å; S84-R88 PolarHBondContact O-NH2 3.08Å; S84-R88 VanDerWaalsContact O-NH2 3.15Å; L85-R88 PolarHBondContact O-N 3.03Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 3.41Å; R88-S90 VanDerWaalsContact C-N 3.34Å; R88-S90 PolarHBondContact O-N 3.26Å; R88-L91 PolarHBondContact O-N 2.88Å; R88-F92 HydrophobicContact CB-CD2 4.48Å; R88-F92 HydrophobicContact CG-CD2 3.32Å; R88-F92 HydrophobicContact CG-CE2 3.23Å; R88-F92 WeakPolarHBondContact O-CB 3.07Å; R88-F92 WeakPolarHBondContact O-CD2 3.49Å; R88-F92 PolarHBondContact O-N 3.42Å
89	Q	74.5	Confident	71.6	Confident	121 Å²	121	81.6 Å²	81.6	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-55.7	-48.5	175.5	-72.1	172.2	-8.8	0	0	111.4	L85 E86 L91 F92 D93	L85-Q89 WeakPolarHBondContact O-CG 3.39Å; L85-Q89 PolarHBondContact O-N 3.33Å; L85-Q89 VanDerWaalsContact O-N 3.07Å; E86-Q89 PolarHBondContact O-N 3.36Å; Q89-L91 PolarHBondContact O-N 3.38Å; Q89-F92 PolarHBondContact O-N 3.05Å; Q89-D93 WeakPolarHBondContact O-CB 3.45Å; Q89-D93 VanDerWaalsContact O-CG 3.25Å; Q89-D93 PolarHBondContact O-N 3.12Å
90	S	71.4	Confident	70.4	Confident	35 Å²	35	80.5 Å²	80.5	25%	0.245	42%	0.418	C	S	.	.	H	α-helix	trans	-65.1	-34.7	179.6	-55.1	0	0	0	0	114.2	E86 L87 R88 G94	E86-S90 PolarHBondContact O-N 3.1Å; E86-S90 PolarHBondContact O-OG 3.3Å; L87-S90 PolarHBondContact O-N 3.17Å; R88-S90 VanDerWaalsContact C-N 3.34Å; R88-S90 PolarHBondContact O-N 3.26Å; S90-G94 PolarHBondContact O-N 3.06Å; S90-G94 VanDerWaalsContact O-N 3.1Å
91	L	71.4	Confident	69	Low	27 Å²	27	83.8 Å²	83.8	14%	0.141	44%	0.441	C	S	.	.	H	α-helix	trans	-77.1	-31	177.1	-67.3	176.4	0	0	0	113	A61 A65 L87 R88 Q89 L96	A61-L91 HydrophobicContact CB-CD2 3.73Å; A65-L91 HydrophobicContact CB-CD1 4.14Å; L87-L91 WeakPolarHBondContact O-CB 3.19Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 2.67Å; R88-L91 PolarHBondContact O-N 2.88Å; Q89-L91 PolarHBondContact O-N 3.38Å; L91-L96 HydrophobicContact CD2-CD1 4.04Å; L91-L96 WeakPolarHBondContact O-CB 3.49Å; L91-L96 PolarHBondContact O-N 3.25Å
92	F	69.1	Low	67.5	Low	55 Å²	55	82.8 Å²	82.8	24%	0.241	44%	0.443	C	S	.	.	H	α-helix	trans	-68	-48.3	171.1	-88.7	-72	0	0	0	110.9	R88 Q89 G94 G95 L97 N98 P100	R88-F92 HydrophobicContact CB-CD2 4.48Å; R88-F92 HydrophobicContact CG-CD2 3.32Å; R88-F92 HydrophobicContact CG-CE2 3.23Å; R88-F92 WeakPolarHBondContact O-CB 3.07Å; R88-F92 WeakPolarHBondContact O-CD2 3.49Å; R88-F92 PolarHBondContact O-N 3.42Å; Q89-F92 PolarHBondContact O-N 3.05Å; F92-G94 PolarHBondContact O-N 2.89Å; F92-G95 PolarHBondContact O-N 3.48Å; F92-L97 HydrophobicContact CD1-CB 3.53Å; F92-L97 WeakPolarHBondContact CD1-O 3.14Å; F92-L97 HydrophobicContact CD2-CB 4.26Å; F92-L97 HydrophobicContact CD2-CD1 4Å; F92-L97 HydrophobicContact CE1-CB 3.26Å; F92-L97 HydrophobicContact CE1-CD1 4.36Å; F92-L97 HydrophobicContact CE1-CG 4.44Å; F92-L97 VanDerWaalsContact CE1-O 3.29Å; F92-L97 WeakPolarHBondContact CE1-O 3.43Å; F92-L97 HydrophobicContact CE2-CB 4.04Å; F92-L97 HydrophobicContact CE2-CD1 3.59Å; F92-L97 HydrophobicContact CE2-CG 4.47Å; F92-L97 HydrophobicContact CG-CB 4Å; F92-L97 HydrophobicContact CZ-CB 3.52Å; F92-L97 HydrophobicContact CZ-CD1 3.76Å; F92-L97 HydrophobicContact CZ-CG 4.28Å; F92-N98 WeakPolarHBondContact CE1-O 3.02Å; F92-P100 HydrophobicContact CZ-CG 4.39Å
93	D	65.8	Low	65.8	Low	146 Å²	146	81.1 Å²	81.1	78%	0.781	45%	0.446	S	S	*	.	H	α-helix	trans	-61.8	-32	177.7	-69.2	-16.2	0	0	0	111.9	Q89 G95	Q89-D93 WeakPolarHBondContact O-CB 3.45Å; Q89-D93 VanDerWaalsContact O-CG 3.25Å; Q89-D93 PolarHBondContact O-N 3.12Å; D93-G95 VanDerWaalsContact C-N 3.25Å; D93-G95 PolarHBondContact O-N 2.99Å
94	G	59	Low	64.3	Low	51 Å²	51	86.8 Å²	86.8	53%	0.526	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.5	174.8	0	0	0	0	0	115.4	S90 F92 L96	S90-G94 PolarHBondContact O-N 3.06Å; S90-G94 VanDerWaalsContact O-N 3.1Å; F92-G94 PolarHBondContact O-N 2.89Å; G94-L96 PolarHBondContact O-N 3.25Å
95	G	61.5	Low	63	Low	53 Å²	53	90 Å²	90	55%	0.546	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	15.7	177.2	0	0	0	0	0	115.6	F92 D93	F92-G95 PolarHBondContact O-N 3.48Å; D93-G95 VanDerWaalsContact C-N 3.25Å; D93-G95 PolarHBondContact O-N 2.99Å
96	L	55.9	Low	61.3	Low	61 Å²	61	95 Å²	95	32%	0.319	51%	0.51	S	S	.	.	S	Bend	trans	-88.6	-22.9	-176.5	-145.2	166.4	0	0	0	112.5	E58 A62 L91 G94	E58-L96 HydrophobicContact CB-CB 4.45Å; E58-L96 HydrophobicContact CB-CD1 3.5Å; E58-L96 HydrophobicContact CB-CG 3.85Å; E58-L96 HydrophobicContact CG-CD1 4.44Å; E58-L96 WeakPolarHBondContact O-CD1 3.29Å; A62-L96 HydrophobicContact CB-CD1 3.86Å; L91-L96 HydrophobicContact CD2-CD1 4.04Å; L91-L96 WeakPolarHBondContact O-CB 3.49Å; L91-L96 PolarHBondContact O-N 3.25Å; G94-L96 PolarHBondContact O-N 3.25Å
97	L	55.4	Low	59.9	Low	75 Å²	75	97 Å²	97	39%	0.393	53%	0.529	S	S	.	.	S	Bend	trans	-118	113.9	172.7	-63.9	178.5	0	0	0	107.5	F92 D99	F92-L97 HydrophobicContact CD1-CB 3.53Å; F92-L97 WeakPolarHBondContact CD1-O 3.14Å; F92-L97 HydrophobicContact CD2-CB 4.26Å; F92-L97 HydrophobicContact CD2-CD1 4Å; F92-L97 HydrophobicContact CE1-CB 3.26Å; F92-L97 HydrophobicContact CE1-CD1 4.36Å; F92-L97 HydrophobicContact CE1-CG 4.44Å; F92-L97 VanDerWaalsContact CE1-O 3.29Å; F92-L97 WeakPolarHBondContact CE1-O 3.43Å; F92-L97 HydrophobicContact CE2-CB 4.04Å; F92-L97 HydrophobicContact CE2-CD1 3.59Å; F92-L97 HydrophobicContact CE2-CG 4.47Å; F92-L97 HydrophobicContact CG-CB 4Å; F92-L97 HydrophobicContact CZ-CB 3.52Å; F92-L97 HydrophobicContact CZ-CD1 3.76Å; F92-L97 HydrophobicContact CZ-CG 4.28Å; L97-D99 PolarHBondContact O-N 3.39Å
98	N	54.8	Low	58.6	Low	127 Å²	127	100.2 Å²	100.2	68%	0.679	55%	0.554	S	S	*	*			trans	-60.7	136.3	167.2	-66.8	-7.6	0	0	0	107.8	F92	F92-N98 WeakPolarHBondContact CE1-O 3.02Å
99	D	53.3	Low	57.6	Low	109 Å²	109	100.5 Å²	100.5	58%	0.583	57%	0.571	S	S	*	*			trans	-41.2	129.1	177.5	-97.5	-54.6	0	0	0	110.4	L97 N101 E102	L97-D99 PolarHBondContact O-N 3.39Å; D99-N101 PolarHBondContact O-N 3.26Å; D99-E102 HydrophobicContact CB-CB 4.46Å; D99-E102 PolarHBondContact O-N 3.47Å
100	P	56.6	Low	56.1	Low	97 Å²	97	99.8 Å²	99.8	63%	0.63	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-3.1	172.8	26.4	-32.9	0	0	0	112.6	F92	F92-P100 HydrophobicContact CZ-CG 4.39Å
101	N	52.8	Low	54.5	Low	146 Å²	146	103.8 Å²	103.8	78%	0.781	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-1.1	171.7	-82.4	-32.4	0	0	0	114.2	D99 I103	D99-N101 PolarHBondContact O-N 3.26Å; N101-I103 PolarHBondContact O-N 2.88Å
102	E	49.4	Very low	53.3	Low	136 Å²	136	111 Å²	111	64%	0.636	64%	0.635	S	S	*	*			trans	-82.9	62.4	161.7	-147	178.7	-155.5	0	0	108.3	D99 D104	D99-E102 HydrophobicContact CB-CB 4.46Å; D99-E102 PolarHBondContact O-N 3.47Å; E102-D104 PolarHBondContact O-N 2.93Å
103	I	52.1	Low	51.8	Low	131 Å²	131	115.9 Å²	115.9	67%	0.672	66%	0.663	S	S	*	*			trans	-69.3	86.5	158.3	-59.2	175.1	0	0	0	104.3	N101 P105	N101-I103 PolarHBondContact O-N 2.88Å; I103-P105 WeakPolarHBondContact O-CD 3.4Å
104	D	49.7	Very low	50.5	Low	132 Å²	132	114.3 Å²	114.3	71%	0.706	66%	0.658	S	S	*	*			trans	-48.5	116.2	161.8	-134.2	-12.4	0	0	0	105.7	E102 Y106	E102-D104 PolarHBondContact O-N 2.93Å; D104-Y106 PolarHBondContact O-N 2.85Å
105	P	52.7	Low	49.5	Very low	102 Å²	102	118.1 Å²	118.1	66%	0.662	67%	0.667	S	S	*	*			trans	-64.9	106.2	-179.2	25.3	-28.9	0	0	0	105.4	I103 P107	I103-P105 WeakPolarHBondContact O-CD 3.4Å; P105-P107 WeakPolarHBondContact O-CD 3.14Å
106	Y	47.1	Very low	48.4	Very low	197 Å²	197	119.1 Å²	119.1	77%	0.773	68%	0.677	S	S	*	*			trans	-21.8	113.9	166.6	-82.4	-93.2	0	0	0	111.5	D104 S108	D104-Y106 PolarHBondContact O-N 2.85Å; Y106-S108 VanDerWaalsContact C-N 3.26Å
107	P	51.1	Low	47.5	Very low	122 Å²	122	123.5 Å²	123.5	79%	0.792	70%	0.699	S	S	*	*				-83.4	94.2	127.5	30.1	-17.2	0	0	0	104.6	P105 S109	P105-P107 WeakPolarHBondContact O-CD 3.14Å; P107-S109 PolarHBondContact O-N 2.91Å
108	S	51.7	Low	47.1	Very low	83 Å²	83	127.6 Å²	127.6	58%	0.58	72%	0.72	S	S	*	*			trans	-42.3	112.6	166.9	-52.2	0	0	0	0	110.5	Y106	Y106-S108 VanDerWaalsContact C-N 3.26Å
109	S	54.7	Low	46.7	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	72%	0.722	S	S	*	*			trans	70.2	173.1	140.2	-40	0	0	0	0	115.5	P107	P107-S109 PolarHBondContact O-N 2.91Å
110	P	42.5	Very low	46.5	Very low	106 Å²	106	129.1 Å²	129.1	69%	0.688	73%	0.734	S	S	*	*				-112.5	163.9	-107.8	13.8	10.9	0	0	0	110.1	K112	P110-K112 PolarHBondContact O-N 3.02Å
111	S	38.4	Very low	45.8	Very low	119 Å²	119	131 Å²	131	83%	0.832	74%	0.74	S	S	*	*			trans	39.6	74.8	142.8	-52.1	0	0	0	0	116.8
112	K	45.3	Very low	45.4	Very low	178 Å²	178	130.8 Å²	130.8	77%	0.774	74%	0.738	S	S	*	*			trans	-103.1	75.9	147.5	-85.1	-161.5	172.7	-148.2	0	109.2	P110	P110-K112 PolarHBondContact O-N 3.02Å
113	L	39.1	Very low	45.6	Very low	158 Å²	158	129.9 Å²	129.9	83%	0.827	75%	0.747	S	S	*	*			trans	-64.8	135.9	139	-79.6	163.3	0	0	0	105.5
114	T	37	Very low	45.2	Very low	113 Å²	113	129.6 Å²	129.6	69%	0.693	75%	0.753	S	S	*	*	S	Bend	trans	73.7	94.2	-179.2	82.5	0	0	0	0	115.4
115	D	37.7	Very low	45.2	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	76%	0.757	S	S	*	*				167.6	90	122.3	-83.5	-20.5	0	0	0	107.5	I117	D115-I117 PolarHBondContact O-N 3.24Å
116	G	39.6	Very low	45.2	Very low	74 Å²	74	132.4 Å²	132.4	76%	0.763	76%	0.756	S	S	*	*			trans	-64.9	111.6	157.4	0	0	0	0	0	106.7
117	I	36.6	Very low	45.6	Very low	153 Å²	153	129.1 Å²	129.1	79%	0.785	76%	0.757	S	S	*	*			trans	177.4	117.6	155	-111.3	70.7	0	0	0	106.3	D115	D115-I117 PolarHBondContact O-N 3.24Å
118	L	47.8	Very low	45.6	Very low	160 Å²	160	130.2 Å²	130.2	84%	0.838	76%	0.756	S	S	*	*			trans	151.7	147.3	155.4	-86.7	156.7	0	0	0	109.7
119	P	45.6	Very low	45.4	Very low	109 Å²	109	137.6 Å²	137.6	71%	0.708	77%	0.771	S	S	*	*				-130.2	121.4	-65.8	30.6	-12.5	0	0	0	109.3
120	N	49.5	Very low	45.1	Very low	159 Å²	159	144.4 Å²	144.4	85%	0.85	78%	0.781	S	S	*	*			trans	-102.4	102.5	165.2	-159.3	18.3	0	0	0	109.1	N122	N120-N122 PolarHBondContact O-N 3.02Å
121	D	40.4	Very low	45.5	Very low	138 Å²	138	144 Å²	144	74%	0.738	78%	0.781	S	S	*	*			trans	-46.6	108	161.4	-157.2	3	0	0	0	109
122	N	45.9	Very low	46.2	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	78%	0.781	S	S	*	*			trans	173.8	120.3	145.6	-85.2	-35.8	0	0	0	110.6	N120	N120-N122 PolarHBondContact O-N 3.02Å
123	S	53.9	Low	46.4	Very low	118 Å²	118	147.7 Å²	147.7	83%	0.825	78%	0.783	S	S	*	*			trans	96.1	120.4	162.1	-57.5	0	0	0	0	118.1
124	P	42.4	Very low	46.8	Very low	124 Å²	124	148.4 Å²	148.4	81%	0.805	79%	0.786	S	S	*	*			trans	-92.6	125.4	179.5	34.9	-27.9	0	0	0	110.7
125	H	50.3	Low	47.4	Very low	167 Å²	167	148.4 Å²	148.4	77%	0.773	79%	0.791	S	S	*	*			trans	-169	105.7	151	-136.6	-102.6	0	0	0	114.7
126	I	51.6	Low	48.1	Very low	126 Å²	126	149.5 Å²	149.5	65%	0.646	80%	0.797	S	S	*	*				36.8	107.7	126.8	-55.2	177.8	0	0	0	117.8
127	T	57.1	Low	48.7	Very low	128 Å²	128	150.5 Å²	150.5	79%	0.785	79%	0.793	S	S	*	*				170.7	120.4	110.7	33.2	0	0	0	0	114.8
128	D	51	Low	49.7	Very low	146 Å²	146	150 Å²	150	78%	0.781	79%	0.791	S	S	*	*			trans	49.8	95.1	141.2	-89.3	-41	0	0	0	125
129	R	46.8	Very low	50.1	Low	237 Å²	237	149 Å²	149	89%	0.894	79%	0.786	S	S	*	*				20.5	104.3	120.3	-70.9	-179.5	172.6	158.5	-1.4	118.5
130	R	49.1	Very low	50.3	Low	248 Å²	248	155.8 Å²	155.8	94%	0.936	80%	0.798	S	S	*	*			trans	-125.3	90.9	155.5	-138.6	176.4	-170.4	178.2	2.3	110.8
131	S	50.1	Low	50.5	Low	99 Å²	99	156.2 Å²	156.2	69%	0.692	79%	0.794	S	S	*	*			trans	-72.5	136.2	164.2	-56.3	0	0	0	0	110.9
132	R	53.9	Low	50.7	Low	221 Å²	221	159.7 Å²	159.7	83%	0.834	80%	0.797	S	S	*	*			trans	167.6	101.1	139.4	-94.5	174	-82.8	172.8	-9.9	109.1
133	N	48.9	Very low	51	Low	152 Å²	152	158.2 Å²	158.2	81%	0.813	80%	0.798	S	S	*	*				71.4	102.9	91.5	-84.1	-15.7	0	0	0	114.1
134	L	48.3	Very low	50.8	Low	173 Å²	173	165.8 Å²	165.8	91%	0.906	82%	0.816	S	S	*	*			trans	-145.9	91.9	154.8	-80.3	172.8	0	0	0	108.1
135	S	48.8	Very low	51.2	Low	113 Å²	113	167.9 Å²	167.9	79%	0.79	82%	0.816	S	S	*	*			trans	179.4	100.4	152.1	-79.5	0	0	0	0	107.1
136	D	51.9	Low	51.2	Low	154 Å²	154	167.9 Å²	167.9	82%	0.824	82%	0.819	S	S	*	*			trans	-169.8	104.8	131.7	-97.4	-29.7	0	0	0	109.2	N138	D136-N138 PolarHBondContact O-N 3.17Å
137	S	53.3	Low	51.2	Low	96 Å²	96	170.2 Å²	170.2	67%	0.671	83%	0.828	S	S	*	*			trans	-21.9	123.4	139.3	37.2	0	0	0	0	113.1
138	N	56.2	Low	50.9	Low	142 Å²	142	172.7 Å²	172.7	76%	0.759	83%	0.831	S	S	*	*			trans	-170.1	123.6	134.8	-97.7	-54.6	0	0	0	112.1	D136	D136-N138 PolarHBondContact O-N 3.17Å
139	L	57.9	Low	50.9	Low	140 Å²	140	174.4 Å²	174.4	73%	0.733	83%	0.834	S	S	*	*			trans	43.2	95.2	147	-79.1	94	0	0	0	120	Q141	L139-Q141 PolarHBondContact O-N 3.18Å
140	R	49.1	Very low	51.1	Low	251 Å²	251	170.2 Å²	170.2	95%	0.947	83%	0.83	S	S	*	*			trans	-39.6	101	136.3	-175.8	-178.6	173.6	-154.6	-0.5	113.8
141	Q	53.8	Low	51.3	Low	167 Å²	167	164.6 Å²	164.6	78%	0.78	82%	0.822	S	S	*	*			trans	-164.9	149.6	152.4	-81.5	-166.7	-16.7	0	0	106.6	L139	L139-Q141 PolarHBondContact O-N 3.18Å
142	R	44.3	Very low	51.4	Low	212 Å²	212	169.7 Å²	169.7	80%	0.8	83%	0.832	S	S	*	*			cis	173.5	141.4	-12.4	167.6	177.7	174.3	-175.2	0.2	103.7
143	S	53.3	Low	51.1	Low	108 Å²	108	165.4 Å²	165.4	76%	0.755	83%	0.832	S	S	*	*			trans	67.8	139.2	165	-75.7	0	0	0	0	116.9
144	K	48	Very low	51.3	Low	277 Å²	277	166.6 Å²	166.6	100%	1.204	83%	0.834	S	S	*	*			cis	-133.4	0	22.2	-79.1	171.5	169.3	172.1	0	111

Retrieved 144 of 144 residues in 234.7 ms (Link to these results)

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