A0A3Q0KUW7_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

						>A0A3Q0KUW7_SCHMA|A0A3Q0KUW7
MKTLLVLFICYTISIHESIQHVALSQPMKDSSLAKEVYFRTDSAYNKCLAICLYCYRDQKSFYDCANVQCPLLQDADFPPHFDEDCVLLSSLNMKLKESLIH
					

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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	57	Low	59.3	Low	217 Å²	217	130 Å²	130	100%	1.069	65%	0.653	S	S	*	*				0	-36.2	0	-65.7	-179.5	174	0	0	113.5
2	K	55.8	Low	59.2	Low	188 Å²	188	125.1 Å²	125.1	82%	0.817	64%	0.635	S	S	*	*	H	α-helix	trans	-66.4	-34.1	178	-73.5	177.4	170.3	175.4	0	115	L4 L5	K2-L4 PolarHBondContact O-N 3.32Å; K2-L5 PolarHBondContact O-N 3.22Å
3	T	58.5	Low	58.9	Low	113 Å²	113	122.2 Å²	122.2	69%	0.693	62%	0.621	S	S	*	*	H	α-helix	trans	-67.5	-31.7	-176.6	-30.4	0	0	0	0	113.8
4	L	59.2	Low	58.5	Low	128 Å²	128	118.7 Å²	118.7	67%	0.67	61%	0.613	S	S	*	*	H	α-helix	trans	-70.4	-32.8	178.1	-103.2	138.9	0	0	0	112.3	K2 F8	K2-L4 PolarHBondContact O-N 3.32Å; L4-F8 PolarHBondContact O-N 3.42Å
5	L	64.4	Low	58.1	Low	118 Å²	118	115.6 Å²	115.6	62%	0.618	60%	0.597	S	S	*	*	H	α-helix	trans	-66.5	-40.5	179.5	-160.5	90.7	0	0	0	111.5	K2 F8 I9	K2-L5 PolarHBondContact O-N 3.22Å; L5-F8 PolarHBondContact O-N 2.96Å; L5-I9 HydrophobicContact CD2-CD1 4.22Å; L5-I9 HydrophobicContact CG-CD1 4.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 2.97Å
6	V	64.8	Low	57.5	Low	88 Å²	88	115.7 Å²	115.7	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-64.8	-43.2	180	179.9	0	0	0	0	111	F8 I9 C10	V6-F8 VanDerWaalsContact C-N 3.29Å; V6-F8 PolarHBondContact O-N 3.5Å; V6-I9 PolarHBondContact O-N 3.34Å; V6-C10 PolarHBondContact O-N 3.36Å; V6-C10 PolarHBondContact O-SG 3.39Å; V6-C10 VanDerWaalsContact O-SG 3.34Å
7	L	60.9	Low	56.6	Low	119 Å²	119	115.1 Å²	115.1	62%	0.623	59%	0.588	S	S	*	*	H	α-helix	trans	-60.8	-39.6	176.3	-76.4	163.8	0	0	0	112	C10 Y11	L7-C10 PolarHBondContact O-N 2.79Å; L7-Y11 WeakPolarHBondContact O-CB 3.35Å; L7-Y11 PolarHBondContact O-N 3.28Å
8	F	58.3	Low	56.2	Low	146 Å²	146	112.4 Å²	112.4	64%	0.64	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-42.4	178.4	-137.7	-90	0	0	0	111.7	L4 L5 V6 Y11 T12	L4-F8 PolarHBondContact O-N 3.42Å; L5-F8 PolarHBondContact O-N 2.96Å; V6-F8 VanDerWaalsContact C-N 3.29Å; V6-F8 PolarHBondContact O-N 3.5Å; F8-Y11 PolarHBondContact O-N 3.06Å; F8-T12 HydrophobicContact CD1-CG2 4.34Å; F8-T12 WeakPolarHBondContact O-CG2 3.42Å; F8-T12 PolarHBondContact O-N 3.29Å; F8-T12 PolarHBondContact O-OG1 3.49Å
9	I	60.9	Low	55.4	Low	86 Å²	86	111.7 Å²	111.7	44%	0.441	58%	0.577	S	S	.	*	H	α-helix	trans	-63.9	-47.3	177.1	-64.7	166.1	0	0	0	110.3	L5 V6 Y11 T12 I13	L5-I9 HydrophobicContact CD2-CD1 4.22Å; L5-I9 HydrophobicContact CG-CD1 4.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 2.97Å; V6-I9 PolarHBondContact O-N 3.34Å; I9-Y11 VanDerWaalsContact C-N 3.31Å; I9-Y11 PolarHBondContact O-N 2.97Å; I9-T12 WeakPolarHBondContact CA-OG1 3.47Å; I9-T12 PolarHBondContact O-N 3.32Å; I9-T12 PolarHBondContact O-OG1 3.22Å; I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.37Å; I9-I13 PolarHBondContact O-N 3.03Å
10	C	57.2	Low	54.8	Low	68 Å²	68	112.5 Å²	112.5	46%	0.459	58%	0.578	S	S	.	*	H	α-helix	trans	-58.2	-43	176.2	-68	0	0	0	0	111.9	V6 L7 T12 I13 S14	V6-C10 PolarHBondContact O-N 3.36Å; V6-C10 PolarHBondContact O-SG 3.39Å; V6-C10 VanDerWaalsContact O-SG 3.34Å; L7-C10 PolarHBondContact O-N 2.79Å; C10-T12 PolarHBondContact O-N 3.24Å; C10-I13 PolarHBondContact O-N 3.43Å; C10-S14 PolarHBondContact O-N 2.98Å; C10-S14 PolarHBondContact O-OG 2.94Å; C10-S14 VanDerWaalsContact O-OG 3.11Å
11	Y	55.8	Low	54.2	Low	159 Å²	159	113.3 Å²	113.3	62%	0.624	58%	0.579	S	S	*	*	H	α-helix	trans	-64.4	-40.8	178.5	-170.5	-108.3	0	0	0	112.2	L7 F8 I9 S14 I15	L7-Y11 WeakPolarHBondContact O-CB 3.35Å; L7-Y11 PolarHBondContact O-N 3.28Å; F8-Y11 PolarHBondContact O-N 3.06Å; I9-Y11 VanDerWaalsContact C-N 3.31Å; I9-Y11 PolarHBondContact O-N 2.97Å; Y11-S14 PolarHBondContact O-N 3.34Å; Y11-I15 HydrophobicContact CD1-CD1 3.62Å; Y11-I15 HydrophobicContact CE1-CD1 3.26Å; Y11-I15 HydrophobicContact CE1-CG1 4.31Å; Y11-I15 HydrophobicContact CE2-CD1 4.47Å; Y11-I15 HydrophobicContact CG-CD1 4.38Å; Y11-I15 WeakPolarHBondContact O-CG1 3.32Å; Y11-I15 PolarHBondContact O-N 3.11Å
12	T	57.1	Low	53.3	Low	71 Å²	71	107.2 Å²	107.2	44%	0.436	55%	0.554	S	S	.	*	H	α-helix	trans	-67.3	-36	176	54.7	0	0	0	0	113	F8 I9 C10 I15 H16	F8-T12 HydrophobicContact CD1-CG2 4.34Å; F8-T12 WeakPolarHBondContact O-CG2 3.42Å; F8-T12 PolarHBondContact O-N 3.29Å; F8-T12 PolarHBondContact O-OG1 3.49Å; I9-T12 WeakPolarHBondContact CA-OG1 3.47Å; I9-T12 PolarHBondContact O-N 3.32Å; I9-T12 PolarHBondContact O-OG1 3.22Å; C10-T12 PolarHBondContact O-N 3.24Å; T12-I15 PolarHBondContact O-N 2.97Å; T12-H16 WeakPolarHBondContact O-CB 3.28Å; T12-H16 PolarHBondContact O-N 3.36Å
13	I	56.5	Low	52.4	Low	88 Å²	88	102 Å²	102	45%	0.451	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-44.5	175.7	-65	166.5	0	0	0	109.9	I9 C10 I15 H16 E17	I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.37Å; I9-I13 PolarHBondContact O-N 3.03Å; C10-I13 PolarHBondContact O-N 3.43Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 2.84Å; I13-H16 PolarHBondContact O-N 3.46Å; I13-H16 VanDerWaalsContact O-N 3.08Å; I13-E17 PolarHBondContact O-N 3.21Å
14	S	52	Low	51.5	Low	73 Å²	73	103.5 Å²	103.5	51%	0.51	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-36.6	177.3	-60	0	0	0	0	112.9	C10 Y11 S18	C10-S14 PolarHBondContact O-N 2.98Å; C10-S14 PolarHBondContact O-OG 2.94Å; C10-S14 VanDerWaalsContact O-OG 3.11Å; Y11-S14 PolarHBondContact O-N 3.34Å; S14-S18 VanDerWaalsContact O-CB 3.28Å; S14-S18 WeakPolarHBondContact O-CB 3.41Å; S14-S18 PolarHBondContact O-N 3.08Å
15	I	52.8	Low	50.4	Low	72 Å²	72	101 Å²	101	37%	0.369	54%	0.542	S	S	.	.	H	α-helix	trans	-69.1	-40.4	173.1	-65.2	166.2	0	0	0	110.5	Y11 T12 I13 S18 I19	Y11-I15 HydrophobicContact CD1-CD1 3.62Å; Y11-I15 HydrophobicContact CE1-CD1 3.26Å; Y11-I15 HydrophobicContact CE1-CG1 4.31Å; Y11-I15 HydrophobicContact CE2-CD1 4.47Å; Y11-I15 HydrophobicContact CG-CD1 4.38Å; Y11-I15 WeakPolarHBondContact O-CG1 3.32Å; Y11-I15 PolarHBondContact O-N 3.11Å; T12-I15 PolarHBondContact O-N 2.97Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 2.84Å; I15-S18 CarbonylContact O-C 3.38Å; I15-S18 PolarHBondContact O-N 3.47Å; I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.24Å; I15-I19 VanDerWaalsContact O-CG1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.25Å; I15-I19 PolarHBondContact O-N 2.84Å
16	H	48.3	Very low	49	Very low	117 Å²	117	101 Å²	101	54%	0.542	54%	0.539	S	S	.	.	H	α-helix	trans	-66.6	-42.9	-179.8	-159.3	74.9	0	0	0	112.2	T12 I13 S18 I19 Q20	T12-H16 WeakPolarHBondContact O-CB 3.28Å; T12-H16 PolarHBondContact O-N 3.36Å; I13-H16 PolarHBondContact O-N 3.46Å; I13-H16 VanDerWaalsContact O-N 3.08Å; H16-S18 VanDerWaalsContact C-N 3.31Å; H16-S18 PolarHBondContact O-N 2.97Å; H16-I19 PolarHBondContact O-N 2.99Å; H16-I19 VanDerWaalsContact O-N 3.16Å; H16-Q20 PolarHBondContact O-N 3.31Å
17	E	43	Very low	47.8	Very low	106 Å²	106	101.3 Å²	101.3	50%	0.495	54%	0.543	S	S	.	.	H	α-helix	trans	-62	-40.1	171.3	-77.9	-174.4	105.2	0	0	111	I13 I19 Q20 H21	I13-E17 PolarHBondContact O-N 3.21Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 2.88Å; E17-Q20 PolarHBondContact O-N 3.23Å; E17-H21 PolarHBondContact O-CD2 3.26Å; E17-H21 PolarHBondContact O-N 3.16Å
18	S	48.6	Very low	46.9	Very low	67 Å²	67	100.4 Å²	100.4	47%	0.469	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-33.7	174.8	-166.6	0	0	0	0	112.4	S14 I15 H16 H21 V22	S14-S18 VanDerWaalsContact O-CB 3.28Å; S14-S18 WeakPolarHBondContact O-CB 3.41Å; S14-S18 PolarHBondContact O-N 3.08Å; I15-S18 CarbonylContact O-C 3.38Å; I15-S18 PolarHBondContact O-N 3.47Å; H16-S18 VanDerWaalsContact C-N 3.31Å; H16-S18 PolarHBondContact O-N 2.97Å; S18-H21 CarbonylContact O-C 3.58Å; S18-H21 PolarHBondContact O-N 3.16Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.26Å; S18-V22 PolarHBondContact O-N 3.38Å
19	I	42.4	Very low	46.4	Very low	98 Å²	98	101.9 Å²	101.9	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-71.2	-35.1	176	-68	165.3	0	0	0	110.7	I15 H16 E17 H21 V22 A23	I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.24Å; I15-I19 VanDerWaalsContact O-CG1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.25Å; I15-I19 PolarHBondContact O-N 2.84Å; H16-I19 PolarHBondContact O-N 2.99Å; H16-I19 VanDerWaalsContact O-N 3.16Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 2.88Å; I19-H21 VanDerWaalsContact C-N 3.29Å; I19-H21 PolarHBondContact O-N 3.02Å; I19-V22 PolarHBondContact O-N 3.3Å; I19-V22 VanDerWaalsContact O-N 3.08Å; I19-A23 PolarHBondContact O-N 2.8Å
20	Q	41.9	Very low	45.9	Very low	128 Å²	128	101.4 Å²	101.4	60%	0.598	54%	0.541	S	S	*	.	H	α-helix	trans	-64.9	-34.2	171.7	-71	-171.8	-51.6	0	0	111.9	H16 E17	H16-Q20 PolarHBondContact O-N 3.31Å; E17-Q20 PolarHBondContact O-N 3.23Å
21	H	41.9	Very low	45.8	Very low	130 Å²	130	99.6 Å²	99.6	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-73.6	-25.6	169.3	-72.7	-67.9	0	0	0	113.7	E17 S18 I19 L24 S25	E17-H21 PolarHBondContact O-CD2 3.26Å; E17-H21 PolarHBondContact O-N 3.16Å; S18-H21 CarbonylContact O-C 3.58Å; S18-H21 PolarHBondContact O-N 3.16Å; I19-H21 VanDerWaalsContact C-N 3.29Å; I19-H21 PolarHBondContact O-N 3.02Å; H21-L24 VanDerWaalsContact O-CB 3.27Å; H21-L24 WeakPolarHBondContact O-CB 3.28Å; H21-L24 PolarHBondContact O-N 2.95Å; H21-S25 PolarHBondContact O-N 3.08Å; H21-S25 PolarHBondContact O-OG 3.48Å
22	V	38	Very low	46.1	Very low	88 Å²	88	95.6 Å²	95.6	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-75.3	-31.2	175.5	168.9	0	0	0	0	112	S18 I19 L24 S25	S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.26Å; S18-V22 PolarHBondContact O-N 3.38Å; I19-V22 PolarHBondContact O-N 3.3Å; I19-V22 VanDerWaalsContact O-N 3.08Å; V22-L24 PolarHBondContact O-N 3.02Å; V22-S25 VanDerWaalsContact CA-OG 3.28Å; V22-S25 WeakPolarHBondContact CA-OG 3.27Å; V22-S25 PolarHBondContact O-N 3.28Å; V22-S25 PolarHBondContact O-OG 3.46Å
23	A	37.8	Very low	46.3	Very low	79 Å²	79	96.4 Å²	96.4	65%	0.653	53%	0.526	S	S	*	.	H	α-helix	trans	-63.8	-25.1	169.2	0	0	0	0	0	112.5	I19 S25	I19-A23 PolarHBondContact O-N 2.8Å; A23-S25 VanDerWaalsContact C-N 3.29Å
24	L	40.5	Very low	46.7	Very low	144 Å²	144	93 Å²	93	75%	0.754	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15	173.1	-142.3	84	0	0	0	113.5	H21 V22	H21-L24 VanDerWaalsContact O-CB 3.27Å; H21-L24 WeakPolarHBondContact O-CB 3.28Å; H21-L24 PolarHBondContact O-N 2.95Å; V22-L24 PolarHBondContact O-N 3.02Å
25	S	36	Very low	47.3	Very low	76 Å²	76	95.2 Å²	95.2	53%	0.531	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	37.6	177.8	33.8	0	0	0	0	111.9	H21 V22 A23 P27	H21-S25 PolarHBondContact O-N 3.08Å; H21-S25 PolarHBondContact O-OG 3.48Å; V22-S25 VanDerWaalsContact CA-OG 3.28Å; V22-S25 WeakPolarHBondContact CA-OG 3.27Å; V22-S25 PolarHBondContact O-N 3.28Å; V22-S25 PolarHBondContact O-OG 3.46Å; A23-S25 VanDerWaalsContact C-N 3.29Å; S25-P27 WeakPolarHBondContact O-CD 3.38Å
26	Q	34.9	Very low	48	Very low	119 Å²	119	95.7 Å²	95.7	56%	0.556	51%	0.512	S	S	*	.			trans	-74.7	104.6	139.5	-63.4	-144.8	-26.6	0	0	106.4	M28	Q26-M28 HydrophobicContact CB-CB 3.74Å; Q26-M28 HydrophobicContact CB-CG 3.93Å; Q26-M28 HydrophobicContact CB-SD 4.16Å; Q26-M28 WeakPolarHBondContact O-CB 3.39Å; Q26-M28 PolarHBondContact O-N 3Å; Q26-M28 PolarHBondContact OE1-SD 2.9Å
27	P	39.6	Very low	48.8	Very low	94 Å²	94	93 Å²	93	61%	0.61	50%	0.503	S	S	*	.			trans	-65.2	65.4	161.7	29.1	-36.2	0	0	0	108.1	S25 K29	S25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-K29 PolarHBondContact O-N 3.38Å
28	M	40.8	Very low	50	Low	99 Å²	99	90.1 Å²	90.1	49%	0.488	49%	0.488	S	S	.	.			trans	-86.8	97.6	-159.4	-147.6	-177.8	-179.3	0	0	107	Q26 D30	Q26-M28 HydrophobicContact CB-CB 3.74Å; Q26-M28 HydrophobicContact CB-CG 3.93Å; Q26-M28 HydrophobicContact CB-SD 4.16Å; Q26-M28 WeakPolarHBondContact O-CB 3.39Å; Q26-M28 PolarHBondContact O-N 3Å; Q26-M28 PolarHBondContact OE1-SD 2.9Å; M28-D30 PolarHBondContact O-N 3.36Å
29	K	47.5	Very low	51.2	Low	177 Å²	177	94.6 Å²	94.6	77%	0.77	50%	0.499	S	S	*	.	S	Bend	trans	60.3	-14.1	162.1	-106.5	171.5	171.3	-179.8	0	119	P27 S31 S32 L33	P27-K29 PolarHBondContact O-N 3.38Å; K29-S31 VanDerWaalsContact C-N 3.33Å; K29-S31 PolarHBondContact O-N 3.37Å; K29-S32 CarbonylContact O-C 3.51Å; K29-S32 WeakPolarHBondContact O-CA 2.83Å; K29-S32 WeakPolarHBondContact O-CB 3.38Å; K29-S32 PolarHBondContact O-N 3.24Å; K29-L33 PolarHBondContact O-N 2.81Å
30	D	51.7	Low	52.8	Low	77 Å²	77	98.9 Å²	98.9	41%	0.412	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-26.4	-167.1	-67.6	-28.3	0	0	0	113.2	M28 S32 L33 A34 K97	M28-D30 PolarHBondContact O-N 3.36Å; D30-S32 VanDerWaalsContact C-N 3.32Å; D30-L33 PolarHBondContact O-N 2.98Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.34Å; D30-K97 IonicContact OD1-NZ 3.97Å; D30-K97 IonicContact OD2-NZ 3.59Å
31	S	53.5	Low	54.2	Low	30 Å²	30	93.8 Å²	93.8	21%	0.21	49%	0.487	C	S	.	.	H	α-helix	trans	-67.6	-36.7	169.6	179.2	0	0	0	0	111.3	K29 L33 K35 Y54	K29-S31 VanDerWaalsContact C-N 3.33Å; K29-S31 PolarHBondContact O-N 3.37Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-K35 VanDerWaalsContact O-CB 3.27Å; S31-K35 WeakPolarHBondContact O-CB 3.27Å; S31-K35 VanDerWaalsContact O-CG 3.27Å; S31-K35 WeakPolarHBondContact O-CG 3.22Å; S31-K35 PolarHBondContact O-N 3.44Å; S31-Y54 WeakPolarHBondContact OG-CE2 3.39Å
32	S	62.7	Low	55.9	Low	74 Å²	74	95.2 Å²	95.2	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-39.2	172.9	-166.6	0	0	0	0	110.4	K29 D30 E36	K29-S32 CarbonylContact O-C 3.51Å; K29-S32 WeakPolarHBondContact O-CA 2.83Å; K29-S32 WeakPolarHBondContact O-CB 3.38Å; K29-S32 PolarHBondContact O-N 3.24Å; D30-S32 VanDerWaalsContact C-N 3.32Å; S32-E36 WeakPolarHBondContact O-CA 3.44Å; S32-E36 WeakPolarHBondContact O-CB 3.49Å; S32-E36 PolarHBondContact O-N 3.09Å
33	L	61.5	Low	57.8	Low	89 Å²	89	93.3 Å²	93.3	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-66.7	-47.8	176.6	-172.6	70.1	0	0	0	111.5	K29 D30 S31 K35 E36 V37	K29-L33 PolarHBondContact O-N 2.81Å; D30-L33 PolarHBondContact O-N 2.98Å; S31-L33 VanDerWaalsContact C-N 3.32Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.86Å; L33-E36 PolarHBondContact O-N 3.29Å; L33-V37 HydrophobicContact CD1-CG2 4.48Å; L33-V37 HydrophobicContact CG-CG2 4.37Å; L33-V37 WeakPolarHBondContact O-CB 3.46Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.36Å; L33-V37 PolarHBondContact O-N 3.18Å
34	A	64.2	Low	59.8	Low	16 Å²	16	91 Å²	91	13%	0.132	47%	0.471	C	S	.	.	H	α-helix	trans	-60.8	-43.8	177.1	0	0	0	0	0	111.1	D30 Y38 A50	D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.34Å; A34-Y38 VanDerWaalsContact O-CB 3.22Å; A34-Y38 WeakPolarHBondContact O-CB 3.47Å; A34-Y38 PolarHBondContact O-N 2.93Å; A34-A50 WeakPolarHBondContact O-CB 2.8Å
35	K	66.6	Low	61.6	Low	120 Å²	120	88.2 Å²	88.2	52%	0.522	45%	0.451	S	S	.	.	H	α-helix	trans	-62.1	-45.4	172.4	-76.9	179	179.4	179.9	0	111.8	S31 L33 Y38 F39	S31-K35 VanDerWaalsContact O-CB 3.27Å; S31-K35 WeakPolarHBondContact O-CB 3.27Å; S31-K35 VanDerWaalsContact O-CG 3.27Å; S31-K35 WeakPolarHBondContact O-CG 3.22Å; S31-K35 PolarHBondContact O-N 3.44Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.86Å; K35-Y38 WeakPolarHBondContact O-CB 3.42Å; K35-Y38 PolarHBondContact O-N 2.83Å; K35-F39 HydrophobicContact CB-CD2 4.48Å; K35-F39 WeakPolarHBondContact O-CD2 3.42Å; K35-F39 PolarHBondContact O-N 3.22Å
36	E	67.2	Low	63.5	Low	82 Å²	82	87.4 Å²	87.4	38%	0.383	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-49	179	-176.6	-179.7	170.2	0	0	110.7	S32 L33 Y38 F39 R40	S32-E36 WeakPolarHBondContact O-CA 3.44Å; S32-E36 WeakPolarHBondContact O-CB 3.49Å; S32-E36 PolarHBondContact O-N 3.09Å; L33-E36 PolarHBondContact O-N 3.29Å; E36-Y38 VanDerWaalsContact C-N 3.34Å; E36-Y38 PolarHBondContact O-N 3.42Å; E36-F39 PolarHBondContact O-N 3.03Å; E36-R40 HydrophobicContact CG-CG 4.04Å; E36-R40 WeakPolarHBondContact O-CB 3.41Å; E36-R40 VanDerWaalsContact O-CG 3.25Å; E36-R40 WeakPolarHBondContact O-CG 3.41Å; E36-R40 PolarHBondContact O-N 3.4Å; E36-R40 IonicContact OE1-CZ 3.39Å; E36-R40 IonicContact OE1-NE 3.25Å; E36-R40 PolarHBondContact OE1-NE 3.33Å; E36-R40 IonicContact OE1-NH2 2.75Å; E36-R40 PolarHBondContact OE1-NH2 3.32Å
37	V	65.2	Low	65.7	Low	59 Å²	59	84.6 Å²	84.6	36%	0.358	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-48.1	174.9	172.3	0	0	0	0	109.8	L33 F39 R40 T41 A50	L33-V37 HydrophobicContact CD1-CG2 4.48Å; L33-V37 HydrophobicContact CG-CG2 4.37Å; L33-V37 WeakPolarHBondContact O-CB 3.46Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.36Å; L33-V37 PolarHBondContact O-N 3.18Å; V37-F39 VanDerWaalsContact C-N 3.31Å; V37-F39 PolarHBondContact O-N 3.2Å; V37-R40 PolarHBondContact O-N 3.06Å; V37-T41 HydrophobicContact CG1-CG2 4.4Å; V37-T41 VanDerWaalsContact O-CB 3.25Å; V37-T41 WeakPolarHBondContact O-CB 3.46Å; V37-T41 WeakPolarHBondContact O-CG2 3.44Å; V37-T41 PolarHBondContact O-N 3.18Å; V37-A50 HydrophobicContact CB-CB 4.36Å; V37-A50 HydrophobicContact CG1-CB 4.13Å
38	Y	68.3	Low	67.7	Low	46 Å²	46	80.1 Å²	80.1	18%	0.18	40%	0.397	C	S	.	.	H	α-helix	trans	-56.5	-42	178.3	-178.7	-91.6	0	0	0	112.9	A34 K35 E36 K47 I51 Q69	A34-Y38 VanDerWaalsContact O-CB 3.22Å; A34-Y38 WeakPolarHBondContact O-CB 3.47Å; A34-Y38 PolarHBondContact O-N 2.93Å; K35-Y38 WeakPolarHBondContact O-CB 3.42Å; K35-Y38 PolarHBondContact O-N 2.83Å; E36-Y38 VanDerWaalsContact C-N 3.34Å; E36-Y38 PolarHBondContact O-N 3.42Å; Y38-K47 HydrophobicContact CD2-CB 3.65Å; Y38-K47 HydrophobicContact CD2-CD 4.42Å; Y38-K47 HydrophobicContact CD2-CG 3.99Å; Y38-K47 WeakPolarHBondContact CD2-O 3.41Å; Y38-K47 HydrophobicContact CE2-CB 3.66Å; Y38-K47 HydrophobicContact CE2-CD 4.16Å; Y38-K47 HydrophobicContact CE2-CG 4.13Å; Y38-K47 VanDerWaalsContact O-CE 3.3Å; Y38-K47 WeakPolarHBondContact O-CE 3.35Å; Y38-I51 HydrophobicContact CD2-CD1 4.1Å; Y38-I51 HydrophobicContact CD2-CG1 3.95Å; Y38-I51 HydrophobicContact CE2-CD1 3.57Å; Y38-I51 HydrophobicContact CE2-CG1 3.94Å; Y38-Q69 PolarHBondContact OH-O 3.09Å
39	F	72.4	Confident	69.5	Low	162 Å²	162	76.7 Å²	76.7	71%	0.711	38%	0.381	S	S	*	.	H	α-helix	trans	-82.8	-26	179.5	-73.4	-63.8	0	0	0	114	K35 E36 V37	K35-F39 HydrophobicContact CB-CD2 4.48Å; K35-F39 WeakPolarHBondContact O-CD2 3.42Å; K35-F39 PolarHBondContact O-N 3.22Å; E36-F39 PolarHBondContact O-N 3.03Å; V37-F39 VanDerWaalsContact C-N 3.31Å; V37-F39 PolarHBondContact O-N 3.2Å
40	R	76.2	Confident	71	Confident	188 Å²	188	68.4 Å²	68.4	71%	0.709	35%	0.346	S	S	*	.	H	α-helix	trans	-94	-20.1	-176.7	-70	-121.1	-90.7	-171	-8.2	114.2	E36 V37	E36-R40 HydrophobicContact CG-CG 4.04Å; E36-R40 WeakPolarHBondContact O-CB 3.41Å; E36-R40 VanDerWaalsContact O-CG 3.25Å; E36-R40 WeakPolarHBondContact O-CG 3.41Å; E36-R40 PolarHBondContact O-N 3.4Å; E36-R40 IonicContact OE1-CZ 3.39Å; E36-R40 IonicContact OE1-NE 3.25Å; E36-R40 PolarHBondContact OE1-NE 3.33Å; E36-R40 IonicContact OE1-NH2 2.75Å; E36-R40 PolarHBondContact OE1-NH2 3.32Å; V37-R40 PolarHBondContact O-N 3.06Å
41	T	72.2	Confident	72.3	Confident	21 Å²	21	65.6 Å²	65.6	13%	0.129	33%	0.331	C	S	.	.			trans	-87.2	129.9	179.2	-170.4	0	0	0	0	111.1	V37 S43 N46 K47	V37-T41 HydrophobicContact CG1-CG2 4.4Å; V37-T41 VanDerWaalsContact O-CB 3.25Å; V37-T41 WeakPolarHBondContact O-CB 3.46Å; V37-T41 WeakPolarHBondContact O-CG2 3.44Å; V37-T41 PolarHBondContact O-N 3.18Å; T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact OG1-N 2.94Å; T41-N46 HydrophobicContact CG2-CB 3.55Å; T41-N46 VanDerWaalsContact OG1-CB 3.22Å; T41-N46 WeakPolarHBondContact OG1-CB 3.4Å; T41-N46 PolarHBondContact OG1-ND2 2.82Å; T41-K47 HydrophobicContact CG2-CB 4.48Å; T41-K47 HydrophobicContact CG2-CG 3.54Å; T41-K47 WeakPolarHBondContact O-CE 3.4Å
42	D	76.3	Confident	73.6	Confident	159 Å²	159	64.4 Å²	64.4	85%	0.85	32%	0.322	S	S	*	.			trans	-81.3	-19.8	168.9	-65.4	-47.3	0	0	0	112	A44	D42-A44 PolarHBondContact O-N 2.83Å
43	S	79.1	Confident	74.3	Confident	48 Å²	48	63.3 Å²	63.3	34%	0.336	31%	0.31	S	S	.	.			trans	-67.3	116.9	176.4	168.5	0	0	0	0	111	T41 Y45 N46 K47	T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact OG1-N 2.94Å; S43-Y45 PolarHBondContact O-N 3.31Å; S43-Y45 PolarHBondContact OG-N 3.49Å; S43-N46 PolarHBondContact O-N 2.99Å; S43-N46 VanDerWaalsContact O-N 3.15Å; S43-N46 PolarHBondContact OG-N 3.34Å; S43-K47 PolarHBondContact O-N 2.66Å; S43-K47 VanDerWaalsContact O-N 3.14Å
44	A	79	Confident	75.2	Confident	32 Å²	32	63.4 Å²	63.4	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-55.3	-39.7	174.5	0	0	0	0	0	111.8	D42 K47 C48 P71 L72	D42-A44 PolarHBondContact O-N 2.83Å; A44-K47 WeakPolarHBondContact O-CB 3.4Å; A44-K47 PolarHBondContact O-N 3.42Å; A44-C48 PolarHBondContact O-N 3.35Å; A44-C48 VanDerWaalsContact O-N 3.15Å; A44-C48 PolarHBondContact O-SG 3.05Å; A44-P71 HydrophobicContact CB-CB 4.24Å; A44-P71 HydrophobicContact CB-CG 3.66Å; A44-L72 HydrophobicContact CB-CD1 4.17Å; A44-L72 HydrophobicContact CB-CD2 3.56Å; A44-L72 HydrophobicContact CB-CG 3.65Å
45	Y	79.7	Confident	75.8	Confident	84 Å²	84	62.7 Å²	62.7	33%	0.329	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-47.9	175.5	178.4	-87.5	0	0	0	112	S43 K47 C48 L49 F82	S43-Y45 PolarHBondContact O-N 3.31Å; S43-Y45 PolarHBondContact OG-N 3.49Å; Y45-K47 PolarHBondContact O-N 2.99Å; Y45-C48 WeakPolarHBondContact O-CB 3.4Å; Y45-C48 PolarHBondContact O-N 3.27Å; Y45-C48 VanDerWaalsContact O-N 3.1Å; Y45-L49 HydrophobicContact CE1-CD2 4.3Å; Y45-L49 PolarHBondContact O-N 3.34Å; Y45-F82 AromaticContact CD2-CE2 3.82Å; Y45-F82 HydrophobicContact CD2-CE2 3.82Å; Y45-F82 HydrophobicContact CE2-CD2 4.1Å; Y45-F82 AromaticContact CE2-CE2 3.43Å; Y45-F82 HydrophobicContact CE2-CE2 3.43Å; Y45-F82 VanDerWaalsContact CE2-CE2 3.43Å; Y45-F82 HydrophobicContact CE2-CZ 4.45Å; Y45-F82 AromaticContact CZ-CE2 3.82Å
46	N	75.8	Confident	76.4	Confident	60 Å²	60	61.9 Å²	61.9	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-30.8	-179.8	-71.9	-12.7	0	0	0	112.2	T41 S43 L49 A50	T41-N46 HydrophobicContact CG2-CB 3.55Å; T41-N46 VanDerWaalsContact OG1-CB 3.22Å; T41-N46 WeakPolarHBondContact OG1-CB 3.4Å; T41-N46 PolarHBondContact OG1-ND2 2.82Å; S43-N46 PolarHBondContact O-N 2.99Å; S43-N46 VanDerWaalsContact O-N 3.15Å; S43-N46 PolarHBondContact OG-N 3.34Å; N46-L49 PolarHBondContact O-N 3.46Å; N46-A50 WeakPolarHBondContact O-CB 3.2Å; N46-A50 PolarHBondContact O-N 2.83Å
47	K	80.3	Confident	76.7	Confident	59 Å²	59	63.1 Å²	63.1	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-47.5	171.7	-68.6	-169.3	-176.3	177.6	0	111.2	Y38 T41 S43 A44 Y45 L49 A50 I51 P71	Y38-K47 HydrophobicContact CD2-CB 3.65Å; Y38-K47 HydrophobicContact CD2-CD 4.42Å; Y38-K47 HydrophobicContact CD2-CG 3.99Å; Y38-K47 WeakPolarHBondContact CD2-O 3.41Å; Y38-K47 HydrophobicContact CE2-CB 3.66Å; Y38-K47 HydrophobicContact CE2-CD 4.16Å; Y38-K47 HydrophobicContact CE2-CG 4.13Å; Y38-K47 VanDerWaalsContact O-CE 3.3Å; Y38-K47 WeakPolarHBondContact O-CE 3.35Å; T41-K47 HydrophobicContact CG2-CB 4.48Å; T41-K47 HydrophobicContact CG2-CG 3.54Å; T41-K47 WeakPolarHBondContact O-CE 3.4Å; S43-K47 PolarHBondContact O-N 2.66Å; S43-K47 VanDerWaalsContact O-N 3.14Å; A44-K47 WeakPolarHBondContact O-CB 3.4Å; A44-K47 PolarHBondContact O-N 3.42Å; Y45-K47 PolarHBondContact O-N 2.99Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 3.5Å; K47-A50 PolarHBondContact O-N 3.1Å; K47-I51 WeakPolarHBondContact O-CG1 3.38Å; K47-I51 PolarHBondContact O-N 3.39Å; K47-I51 VanDerWaalsContact O-N 3.09Å; K47-P71 HydrophobicContact CB-CG 4.2Å; K47-P71 HydrophobicContact CD-CG 4.3Å
48	C	81.5	Confident	77.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-41.8	175.3	-55.1	0	0	0	0	111.2	A44 Y45 A50 I51 C52 F62 C70 F78 F82	A44-C48 PolarHBondContact O-N 3.35Å; A44-C48 VanDerWaalsContact O-N 3.15Å; A44-C48 PolarHBondContact O-SG 3.05Å; Y45-C48 WeakPolarHBondContact O-CB 3.4Å; Y45-C48 PolarHBondContact O-N 3.27Å; Y45-C48 VanDerWaalsContact O-N 3.1Å; C48-A50 PolarHBondContact O-N 2.92Å; C48-I51 WeakPolarHBondContact O-CB 2.99Å; C48-I51 PolarHBondContact O-N 3.32Å; C48-C52 PolarHBondContact O-N 3.32Å; C48-F62 HydrophobicContact CB-CE2 4.29Å; C48-F62 HydrophobicContact CB-CZ 4.26Å; C48-F62 WeakPolarHBondContact O-CE2 3.44Å; C48-C70 HydrophobicContact CB-CB 3.77Å; C48-C70 WeakPolarHBondContact CB-SG 3.33Å; C48-C70 VanDerWaalsContact SG-CA 3.52Å; C48-C70 WeakPolarHBondContact SG-CB 3.4Å; C48-C70 CovalentContact SG-SG 2.02Å; C48-C70 PolarHBondContact SG-SG 3.41Å; C48-F78 HydrophobicContact CB-CE2 4.29Å; C48-F78 HydrophobicContact CB-CZ 4.3Å; C48-F82 HydrophobicContact CB-CE1 3.81Å; C48-F82 HydrophobicContact CB-CE2 4.31Å; C48-F82 HydrophobicContact CB-CZ 3.58Å
49	L	79.5	Confident	77.5	Confident	27 Å²	27	70.5 Å²	70.5	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-42.9	179.9	-178.7	63.1	0	0	0	111.5	Y45 N46 K47 I51 C52 L53 F82 C86 L89	Y45-L49 HydrophobicContact CE1-CD2 4.3Å; Y45-L49 PolarHBondContact O-N 3.34Å; N46-L49 PolarHBondContact O-N 3.46Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 3.5Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.18Å; L49-C52 PolarHBondContact O-N 2.99Å; L49-C52 VanDerWaalsContact O-N 3.16Å; L49-L53 HydrophobicContact CD1-CG 4.48Å; L49-L53 HydrophobicContact CG-CD1 4.3Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 3.32Å; L49-F82 HydrophobicContact CB-CZ 4Å; L49-F82 HydrophobicContact CD1-CZ 4.5Å; L49-C86 HydrophobicContact CD1-CB 4.04Å; L49-L89 HydrophobicContact CD1-CD1 3.58Å; L49-L89 HydrophobicContact CD2-CD1 3.81Å; L49-L89 HydrophobicContact CG-CD1 4.36Å
50	A	77.8	Confident	77.8	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-41.1	176	0	0	0	0	0	112.2	A34 V37 N46 K47 C48 Y54	A34-A50 WeakPolarHBondContact O-CB 2.8Å; V37-A50 HydrophobicContact CB-CB 4.36Å; V37-A50 HydrophobicContact CG1-CB 4.13Å; N46-A50 WeakPolarHBondContact O-CB 3.2Å; N46-A50 PolarHBondContact O-N 2.83Å; K47-A50 PolarHBondContact O-N 3.1Å; C48-A50 PolarHBondContact O-N 2.92Å; A50-Y54 WeakPolarHBondContact O-CB 3.21Å; A50-Y54 PolarHBondContact O-N 2.94Å; A50-Y54 VanDerWaalsContact O-N 3.09Å
51	I	79.3	Confident	77.8	Confident	18 Å²	18	60.6 Å²	60.6	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-47	172.2	-66.3	166.2	0	0	0	109.5	Y38 K47 C48 L49 L53 Y54 C55 F62 V68 Q69 C70	Y38-I51 HydrophobicContact CD2-CD1 4.1Å; Y38-I51 HydrophobicContact CD2-CG1 3.95Å; Y38-I51 HydrophobicContact CE2-CD1 3.57Å; Y38-I51 HydrophobicContact CE2-CG1 3.94Å; K47-I51 WeakPolarHBondContact O-CG1 3.38Å; K47-I51 PolarHBondContact O-N 3.39Å; K47-I51 VanDerWaalsContact O-N 3.09Å; C48-I51 WeakPolarHBondContact O-CB 2.99Å; C48-I51 PolarHBondContact O-N 3.32Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-I51 PolarHBondContact O-N 3.18Å; I51-L53 PolarHBondContact O-N 2.87Å; I51-Y54 CarbonylContact O-C 3.58Å; I51-Y54 WeakPolarHBondContact O-CA 3.36Å; I51-Y54 WeakPolarHBondContact O-CB 3.12Å; I51-Y54 PolarHBondContact O-N 3.45Å; I51-Y54 VanDerWaalsContact O-N 3.09Å; I51-C55 PolarHBondContact O-N 3.42Å; I51-C55 PolarHBondContact O-SG 2.96Å; I51-F62 HydrophobicContact CB-CD2 4.21Å; I51-F62 HydrophobicContact CB-CE2 4.02Å; I51-F62 HydrophobicContact CG2-CD2 3.79Å; I51-F62 HydrophobicContact CG2-CE2 3.84Å; I51-V68 HydrophobicContact CG2-CG2 4.46Å; I51-Q69 HydrophobicContact CD1-CB 4.46Å; I51-C70 HydrophobicContact CD1-CB 4.38Å
52	C	81.1	Confident	78.3	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-47.3	-178.4	175.8	0	0	0	0	112.5	C48 L49 Y54 C55 Y56 F62 F82 C86	C48-C52 PolarHBondContact O-N 3.32Å; L49-C52 PolarHBondContact O-N 2.99Å; L49-C52 VanDerWaalsContact O-N 3.16Å; C52-Y54 PolarHBondContact O-N 2.81Å; C52-C55 PolarHBondContact O-N 3.04Å; C52-Y56 WeakPolarHBondContact O-CB 3.19Å; C52-Y56 PolarHBondContact O-N 3.35Å; C52-F62 HydrophobicContact CB-CB 3.76Å; C52-F62 HydrophobicContact CB-CD2 3.61Å; C52-F62 HydrophobicContact CB-CE2 4.46Å; C52-F62 HydrophobicContact CB-CG 3.96Å; C52-F82 HydrophobicContact CB-CD1 4.37Å; C52-F82 HydrophobicContact CB-CE1 3.87Å; C52-C86 HydrophobicContact CB-CB 3.77Å; C52-C86 WeakPolarHBondContact CB-SG 3.28Å; C52-C86 WeakPolarHBondContact SG-CB 3.4Å; C52-C86 CovalentContact SG-SG 2.02Å; C52-C86 PolarHBondContact SG-SG 3.17Å
53	L	78	Confident	78.4	Confident	51 Å²	51	56.7 Å²	56.7	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-36.9	175.9	-69.3	172	0	0	0	111.7	L49 I51 R57	L49-L53 HydrophobicContact CD1-CG 4.48Å; L49-L53 HydrophobicContact CG-CD1 4.3Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 3.32Å; I51-L53 PolarHBondContact O-N 2.87Å; L53-R57 PolarHBondContact O-N 2.58Å
54	Y	78.9	Confident	78.5	Confident	92 Å²	92	60.2 Å²	60.2	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-42.5	173.9	177.8	-89.8	0	0	0	112.5	S31 A50 I51 C52 R57	S31-Y54 WeakPolarHBondContact OG-CE2 3.39Å; A50-Y54 WeakPolarHBondContact O-CB 3.21Å; A50-Y54 PolarHBondContact O-N 2.94Å; A50-Y54 VanDerWaalsContact O-N 3.09Å; I51-Y54 CarbonylContact O-C 3.58Å; I51-Y54 WeakPolarHBondContact O-CA 3.36Å; I51-Y54 WeakPolarHBondContact O-CB 3.12Å; I51-Y54 PolarHBondContact O-N 3.45Å; I51-Y54 VanDerWaalsContact O-N 3.09Å; C52-Y54 PolarHBondContact O-N 2.81Å; Y54-R57 WeakPolarHBondContact O-CB 3.22Å
55	C	78.8	Confident	78.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.7	-39.3	-178.8	-57	0	0	0	0	112.3	I51 C52 R57 D58 Q59 K60 C65	I51-C55 PolarHBondContact O-N 3.42Å; I51-C55 PolarHBondContact O-SG 2.96Å; C52-C55 PolarHBondContact O-N 3.04Å; C55-R57 PolarHBondContact O-N 3.21Å; C55-D58 CarbonylContact O-C 3.58Å; C55-D58 WeakPolarHBondContact O-CA 3.32Å; C55-D58 PolarHBondContact O-N 2.68Å; C55-Q59 PolarHBondContact O-N 3.33Å; C55-K60 CarbonylContact C-O 3.58Å; C55-K60 PolarHBondContact O-N 3.31Å; C55-C65 HydrophobicContact CB-CB 3.62Å; C55-C65 WeakPolarHBondContact CB-SG 3.19Å; C55-C65 WeakPolarHBondContact SG-CB 3.36Å; C55-C65 CovalentContact SG-SG 2.02Å; C55-C65 PolarHBondContact SG-SG 3.04Å
56	Y	78.5	Confident	77.4	Confident	104 Å²	104	60.6 Å²	60.6	41%	0.408	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-35.5	175.5	-170.4	-102.5	0	0	0	112	C52 D58 Q59 V87	C52-Y56 WeakPolarHBondContact O-CB 3.19Å; C52-Y56 PolarHBondContact O-N 3.35Å; Y56-D58 PolarHBondContact O-N 3.07Å; Y56-Q59 WeakPolarHBondContact O-CA 3.42Å; Y56-Q59 PolarHBondContact O-N 2.02Å; Y56-V87 HydrophobicContact CD2-CG2 3.68Å; Y56-V87 HydrophobicContact CE2-CB 4.45Å; Y56-V87 HydrophobicContact CE2-CG1 4.37Å; Y56-V87 HydrophobicContact CE2-CG2 3.36Å
57	R	72.2	Confident	76.9	Confident	108 Å²	108	62.9 Å²	62.9	41%	0.408	31%	0.314	S	S	.	.	H	α-helix	trans	-57.7	-37	172.2	177.2	-174.4	169.4	167.7	-1.7	112.5	L53 Y54 C55 Q59	L53-R57 PolarHBondContact O-N 2.58Å; Y54-R57 WeakPolarHBondContact O-CB 3.22Å; C55-R57 PolarHBondContact O-N 3.21Å; R57-Q59 PolarHBondContact O-N 3.47Å
58	D	74.8	Confident	76.2	Confident	74 Å²	74	61.6 Å²	61.6	40%	0.396	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	11.4	175.8	-70.8	-23.7	0	0	0	112.4	C55 Y56 K60	C55-D58 CarbonylContact O-C 3.58Å; C55-D58 WeakPolarHBondContact O-CA 3.32Å; C55-D58 PolarHBondContact O-N 2.68Å; Y56-D58 PolarHBondContact O-N 3.07Å; D58-K60 HydrophobicContact CB-CD 4.26Å; D58-K60 HydrophobicContact CB-CG 4.3Å; D58-K60 PolarHBondContact O-N 2.9Å
59	Q	77	Confident	75.9	Confident	186 Å²	186	66.9 Å²	66.9	87%	0.869	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.8	-174.5	-61.1	176.5	60.7	0	0	112.7	C55 Y56 R57	C55-Q59 PolarHBondContact O-N 3.33Å; Y56-Q59 WeakPolarHBondContact O-CA 3.42Å; Y56-Q59 PolarHBondContact O-N 2.02Å; R57-Q59 PolarHBondContact O-N 3.47Å
60	K	77.6	Confident	75.8	Confident	102 Å²	102	66 Å²	66	44%	0.443	33%	0.332	S	S	.	.			trans	-105.7	147.3	175	-65.6	178	-177	176	0	109.1	C55 D58	C55-K60 CarbonylContact C-O 3.58Å; C55-K60 PolarHBondContact O-N 3.31Å; D58-K60 HydrophobicContact CB-CD 4.26Å; D58-K60 HydrophobicContact CB-CG 4.3Å; D58-K60 PolarHBondContact O-N 2.9Å
61	S	76.6	Confident	75.8	Confident	40 Å²	40	69 Å²	69	28%	0.28	35%	0.351	S	S	.	.			trans	-61.8	155.9	164.2	79.8	0	0	0	0	108.8	Y63 D64 C65 D83	S61-Y63 VanDerWaalsContact C-N 3.26Å; S61-Y63 PolarHBondContact O-N 3.16Å; S61-D64 WeakPolarHBondContact CB-OD2 3.45Å; S61-D64 PolarHBondContact O-N 3.28Å; S61-D64 WeakPolarHBondContact OG-CB 3.46Å; S61-D64 PolarHBondContact OG-N 2.78Å; S61-D64 PolarHBondContact OG-OD2 3.28Å; S61-C65 PolarHBondContact O-N 3.26Å; S61-D83 WeakPolarHBondContact CB-OD2 3.03Å
62	F	82.6	Confident	75.8	Confident	2 Å²	2	70 Å²	70	1%	0.009	36%	0.356	C	S	.	.	S	Bend	trans	-64.7	-38.9	178.2	148.5	-84.6	0	0	0	109.9	C48 I51 C52 D64 C65 V68 C70 L73 F78 F82 D83	C48-F62 HydrophobicContact CB-CE2 4.29Å; C48-F62 HydrophobicContact CB-CZ 4.26Å; C48-F62 WeakPolarHBondContact O-CE2 3.44Å; I51-F62 HydrophobicContact CB-CD2 4.21Å; I51-F62 HydrophobicContact CB-CE2 4.02Å; I51-F62 HydrophobicContact CG2-CD2 3.79Å; I51-F62 HydrophobicContact CG2-CE2 3.84Å; C52-F62 HydrophobicContact CB-CB 3.76Å; C52-F62 HydrophobicContact CB-CD2 3.61Å; C52-F62 HydrophobicContact CB-CE2 4.46Å; C52-F62 HydrophobicContact CB-CG 3.96Å; F62-D64 PolarHBondContact O-N 2.96Å; F62-C65 WeakPolarHBondContact O-CB 2.83Å; F62-C65 PolarHBondContact O-N 2.9Å; F62-V68 HydrophobicContact CE1-CG1 4.13Å; F62-V68 HydrophobicContact CE2-CG1 3.85Å; F62-V68 HydrophobicContact CZ-CG1 3.61Å; F62-V68 WeakPolarHBondContact O-CG2 3.07Å; F62-C70 HydrophobicContact CE2-CB 3.92Å; F62-C70 HydrophobicContact CZ-CB 3.48Å; F62-C70 VanDerWaalsContact CZ-CB 3.48Å; F62-L73 HydrophobicContact CE1-CD1 3.67Å; F62-L73 HydrophobicContact CZ-CD1 3.99Å; F62-F78 AromaticContact CE1-CE1 3.98Å; F62-F78 HydrophobicContact CE1-CE1 3.98Å; F62-F78 HydrophobicContact CE1-CZ 4.11Å; F62-F78 HydrophobicContact CZ-CE1 4.4Å; F62-F78 HydrophobicContact CZ-CZ 4.14Å; F62-F82 HydrophobicContact CD1-CD1 4.12Å; F62-F82 HydrophobicContact CD2-CD1 4.49Å; F62-F82 HydrophobicContact CD2-CE1 4.45Å; F62-F82 HydrophobicContact CE1-CD1 4.05Å; F62-F82 HydrophobicContact CE2-CD1 4.4Å; F62-F82 HydrophobicContact CE2-CE1 4.24Å; F62-F82 HydrophobicContact CG-CD1 4.33Å; F62-F82 HydrophobicContact CZ-CD1 4.18Å; F62-F82 HydrophobicContact CZ-CE1 4.33Å; F62-D83 WeakPolarHBondContact CB-OD1 3.5Å; F62-D83 WeakPolarHBondContact CD1-OD1 3.27Å; F62-D83 PolarHBondContact N-OD2 3.36Å
63	Y	79.2	Confident	75.6	Confident	95 Å²	95	73.1 Å²	73.1	37%	0.373	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.6	176.3	-58.2	-79	0	0	0	114.6	S61 C65 L73 F78 P79 D83	S61-Y63 VanDerWaalsContact C-N 3.26Å; S61-Y63 PolarHBondContact O-N 3.16Å; Y63-C65 PolarHBondContact O-N 3.21Å; Y63-L73 HydrophobicContact CD1-CD1 3.94Å; Y63-L73 HydrophobicContact CE1-CD1 3.65Å; Y63-F78 HydrophobicContact CE1-CE1 4.29Å; Y63-P79 PolarHBondContact OH-O 3.29Å; Y63-D83 WeakPolarHBondContact CD2-OD1 3.27Å; Y63-D83 WeakPolarHBondContact CD2-OD2 3.42Å; Y63-D83 WeakPolarHBondContact CE2-OD1 3.08Å
64	D	79.5	Confident	75.5	Confident	122 Å²	122	80 Å²	80	65%	0.652	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.2	177.1	-67.6	-41.1	0	0	0	113.4	S61 F62 A66	S61-D64 WeakPolarHBondContact CB-OD2 3.45Å; S61-D64 PolarHBondContact O-N 3.28Å; S61-D64 WeakPolarHBondContact OG-CB 3.46Å; S61-D64 PolarHBondContact OG-N 2.78Å; S61-D64 PolarHBondContact OG-OD2 3.28Å; F62-D64 PolarHBondContact O-N 2.96Å; D64-A66 PolarHBondContact O-N 3.29Å
65	C	78	Confident	75.4	Confident	16 Å²	16	79.3 Å²	79.3	11%	0.108	41%	0.406	C	S	.	.	S	Bend	trans	-74.4	122.3	-177.4	-148.2	0	0	0	0	109.9	C55 S61 F62 Y63 N67 V68	C55-C65 HydrophobicContact CB-CB 3.62Å; C55-C65 WeakPolarHBondContact CB-SG 3.19Å; C55-C65 WeakPolarHBondContact SG-CB 3.36Å; C55-C65 CovalentContact SG-SG 2.02Å; C55-C65 PolarHBondContact SG-SG 3.04Å; S61-C65 PolarHBondContact O-N 3.26Å; F62-C65 WeakPolarHBondContact O-CB 2.83Å; F62-C65 PolarHBondContact O-N 2.9Å; Y63-C65 PolarHBondContact O-N 3.21Å; C65-N67 PolarHBondContact O-N 3.25Å; C65-V68 HydrophobicContact CB-CG2 3.9Å; C65-V68 WeakPolarHBondContact O-CG2 2.79Å; C65-V68 PolarHBondContact O-N 3.43Å
66	A	58	Low	75.1	Confident	108 Å²	108	84.1 Å²	84.1	89%	0.893	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.8	-170.4	0	0	0	0	0	115.7	D64	D64-A66 PolarHBondContact O-N 3.29Å
67	N	66.5	Low	75	Confident	108 Å²	108	86.3 Å²	86.3	58%	0.578	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	38.9	-175.2	-162	34.3	0	0	0	112.4	C65 Q69	C65-N67 PolarHBondContact O-N 3.25Å; N67-Q69 VanDerWaalsContact C-N 3.3Å; N67-Q69 PolarHBondContact ND2-NE2 3.26Å; N67-Q69 PolarHBondContact O-N 2.87Å; N67-Q69 PolarHBondContact OD1-NE2 2.86Å
68	V	64.7	Low	75.1	Confident	33 Å²	33	82.3 Å²	82.3	20%	0.2	45%	0.45	C	S	.	.			trans	-63.3	94.3	172.6	-177.7	0	0	0	0	109.5	I51 F62 C65 C70 L73	I51-V68 HydrophobicContact CG2-CG2 4.46Å; F62-V68 HydrophobicContact CE1-CG1 4.13Å; F62-V68 HydrophobicContact CE2-CG1 3.85Å; F62-V68 HydrophobicContact CZ-CG1 3.61Å; F62-V68 WeakPolarHBondContact O-CG2 3.07Å; C65-V68 HydrophobicContact CB-CG2 3.9Å; C65-V68 WeakPolarHBondContact O-CG2 2.79Å; C65-V68 PolarHBondContact O-N 3.43Å; V68-C70 VanDerWaalsContact C-N 3.26Å; V68-C70 HydrophobicContact CG1-CB 3.67Å; V68-L73 HydrophobicContact CB-CD2 4.49Å; V68-L73 HydrophobicContact CG1-CD1 3.99Å; V68-L73 HydrophobicContact CG1-CD2 3.8Å; V68-L73 HydrophobicContact CG1-CG 4.4Å
69	Q	74.5	Confident	75	Confident	110 Å²	110	80.9 Å²	80.9	51%	0.514	45%	0.445	S	S	.	.			trans	-99	38.3	169.2	-66.3	-178.3	57.8	0	0	110	Y38 I51 N67 P71	Y38-Q69 PolarHBondContact OH-O 3.09Å; I51-Q69 HydrophobicContact CD1-CB 4.46Å; N67-Q69 VanDerWaalsContact C-N 3.3Å; N67-Q69 PolarHBondContact ND2-NE2 3.26Å; N67-Q69 PolarHBondContact O-N 2.87Å; N67-Q69 PolarHBondContact OD1-NE2 2.86Å; Q69-P71 WeakPolarHBondContact O-CD 3.28Å
70	C	78.4	Confident	74.7	Confident	8 Å²	8	76.8 Å²	76.8	5%	0.054	43%	0.434	C	S	.	.			trans	-67.3	115.7	175.4	164.8	0	0	0	0	108.5	C48 I51 F62 V68 L72 L73	C48-C70 HydrophobicContact CB-CB 3.77Å; C48-C70 WeakPolarHBondContact CB-SG 3.33Å; C48-C70 VanDerWaalsContact SG-CA 3.52Å; C48-C70 WeakPolarHBondContact SG-CB 3.4Å; C48-C70 CovalentContact SG-SG 2.02Å; C48-C70 PolarHBondContact SG-SG 3.41Å; I51-C70 HydrophobicContact CD1-CB 4.38Å; F62-C70 HydrophobicContact CE2-CB 3.92Å; F62-C70 HydrophobicContact CZ-CB 3.48Å; F62-C70 VanDerWaalsContact CZ-CB 3.48Å; V68-C70 VanDerWaalsContact C-N 3.26Å; V68-C70 HydrophobicContact CG1-CB 3.67Å; C70-L72 PolarHBondContact O-N 3.04Å; C70-L73 HydrophobicContact CB-CB 4.11Å; C70-L73 HydrophobicContact CB-CD1 4.43Å; C70-L73 WeakPolarHBondContact O-CB 3.41Å; C70-L73 PolarHBondContact O-N 3.42Å; C70-L73 PolarHBondContact SG-N 3.09Å
71	P	76.7	Confident	74.6	Confident	69 Å²	69	77.1 Å²	77.1	45%	0.448	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.4	-178.6	23.8	-34.8	0	0	0	113	A44 K47 Q69	A44-P71 HydrophobicContact CB-CB 4.24Å; A44-P71 HydrophobicContact CB-CG 3.66Å; K47-P71 HydrophobicContact CB-CG 4.2Å; K47-P71 HydrophobicContact CD-CG 4.3Å; Q69-P71 WeakPolarHBondContact O-CD 3.28Å
72	L	79.9	Confident	74.7	Confident	37 Å²	37	75.2 Å²	75.2	19%	0.194	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.4	177.3	-59.2	178.9	0	0	0	113.6	A44 C70 Q74 D75 F78	A44-L72 HydrophobicContact CB-CD1 4.17Å; A44-L72 HydrophobicContact CB-CD2 3.56Å; A44-L72 HydrophobicContact CB-CG 3.65Å; C70-L72 PolarHBondContact O-N 3.04Å; L72-Q74 PolarHBondContact O-N 3.24Å; L72-Q74 VanDerWaalsContact O-N 3.11Å; L72-D75 HydrophobicContact CB-CB 4.49Å; L72-D75 WeakPolarHBondContact O-CA 3.38Å; L72-D75 WeakPolarHBondContact O-CB 3.45Å; L72-D75 PolarHBondContact O-N 2.02Å; L72-F78 HydrophobicContact CB-CD2 3.3Å; L72-F78 HydrophobicContact CB-CE2 3.66Å; L72-F78 HydrophobicContact CB-CG 4.18Å; L72-F78 HydrophobicContact CD1-CD2 4.09Å; L72-F78 HydrophobicContact CD1-CE2 4.14Å; L72-F78 HydrophobicContact CG-CD2 4.34Å; L72-F78 VanDerWaalsContact O-CB 3.26Å; L72-F78 WeakPolarHBondContact O-CB 3.22Å; L72-F78 WeakPolarHBondContact O-CG 3.12Å
73	L	76.4	Confident	74.3	Confident	71 Å²	71	76.5 Å²	76.5	37%	0.372	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.8	-174.3	-156	78.6	0	0	0	113	F62 Y63 V68 C70 F78	F62-L73 HydrophobicContact CE1-CD1 3.67Å; F62-L73 HydrophobicContact CZ-CD1 3.99Å; Y63-L73 HydrophobicContact CD1-CD1 3.94Å; Y63-L73 HydrophobicContact CE1-CD1 3.65Å; V68-L73 HydrophobicContact CB-CD2 4.49Å; V68-L73 HydrophobicContact CG1-CD1 3.99Å; V68-L73 HydrophobicContact CG1-CD2 3.8Å; V68-L73 HydrophobicContact CG1-CG 4.4Å; C70-L73 HydrophobicContact CB-CB 4.11Å; C70-L73 HydrophobicContact CB-CD1 4.43Å; C70-L73 WeakPolarHBondContact O-CB 3.41Å; C70-L73 PolarHBondContact O-N 3.42Å; C70-L73 PolarHBondContact SG-N 3.09Å; L73-F78 HydrophobicContact CD1-CD1 4.33Å; L73-F78 HydrophobicContact CD1-CE1 3.98Å
74	Q	76.3	Confident	74.1	Confident	194 Å²	194	77.5 Å²	77.5	91%	0.907	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.4	176.2	-61	-177	28.7	0	0	112.7	L72	L72-Q74 PolarHBondContact O-N 3.24Å; L72-Q74 VanDerWaalsContact O-N 3.11Å
75	D	76.3	Confident	73.7	Confident	79 Å²	79	75 Å²	75	42%	0.422	43%	0.425	S	S	.	.			trans	-77.9	129.1	178.4	-155.1	-31.6	0	0	0	109.2	L72 D77 F78	L72-D75 HydrophobicContact CB-CB 4.49Å; L72-D75 WeakPolarHBondContact O-CA 3.38Å; L72-D75 WeakPolarHBondContact O-CB 3.45Å; L72-D75 PolarHBondContact O-N 2.02Å; D75-D77 PolarHBondContact O-N 3.27Å; D75-D77 PolarHBondContact OD1-N 2.81Å; D75-F78 VanDerWaalsContact O-CB 3.28Å; D75-F78 WeakPolarHBondContact O-CB 3.42Å; D75-F78 PolarHBondContact O-N 3.4Å; D75-F78 VanDerWaalsContact O-N 3.1Å
76	A	73.6	Confident	73.4	Confident	101 Å²	101	74.2 Å²	74.2	84%	0.835	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.9	-176.8	0	0	0	0	0	111.9	F78	A76-F78 VanDerWaalsContact C-N 3.31Å
77	D	76.4	Confident	73.9	Confident	149 Å²	149	71.3 Å²	71.3	80%	0.797	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	6	178.6	-65.3	-48.3	0	0	0	112.9	D75	D75-D77 PolarHBondContact O-N 3.27Å; D75-D77 PolarHBondContact OD1-N 2.81Å
78	F	75.1	Confident	74	Confident	24 Å²	24	71.4 Å²	71.4	11%	0.105	39%	0.391	C	S	.	.	S	Bend	trans	-66.1	128.6	178.7	-169.6	-112.5	0	0	0	110.9	C48 F62 Y63 L72 L73 D75 A76 F82	C48-F78 HydrophobicContact CB-CE2 4.29Å; C48-F78 HydrophobicContact CB-CZ 4.3Å; F62-F78 AromaticContact CE1-CE1 3.98Å; F62-F78 HydrophobicContact CE1-CE1 3.98Å; F62-F78 HydrophobicContact CE1-CZ 4.11Å; F62-F78 HydrophobicContact CZ-CE1 4.4Å; F62-F78 HydrophobicContact CZ-CZ 4.14Å; Y63-F78 HydrophobicContact CE1-CE1 4.29Å; L72-F78 HydrophobicContact CB-CD2 3.3Å; L72-F78 HydrophobicContact CB-CE2 3.66Å; L72-F78 HydrophobicContact CB-CG 4.18Å; L72-F78 HydrophobicContact CD1-CD2 4.09Å; L72-F78 HydrophobicContact CD1-CE2 4.14Å; L72-F78 HydrophobicContact CG-CD2 4.34Å; L72-F78 VanDerWaalsContact O-CB 3.26Å; L72-F78 WeakPolarHBondContact O-CB 3.22Å; L72-F78 WeakPolarHBondContact O-CG 3.12Å; L73-F78 HydrophobicContact CD1-CD1 4.33Å; L73-F78 HydrophobicContact CD1-CE1 3.98Å; D75-F78 VanDerWaalsContact O-CB 3.28Å; D75-F78 WeakPolarHBondContact O-CB 3.42Å; D75-F78 PolarHBondContact O-N 3.4Å; D75-F78 VanDerWaalsContact O-N 3.1Å; A76-F78 VanDerWaalsContact C-N 3.31Å; F78-F82 HydrophobicContact CE1-CB 3.84Å; F78-F82 HydrophobicContact CE1-CD1 4.49Å; F78-F82 HydrophobicContact CE1-CG 4.05Å; F78-F82 AromaticContact CE2-CD2 3.86Å; F78-F82 HydrophobicContact CE2-CD2 3.86Å; F78-F82 HydrophobicContact CE2-CE2 4.15Å; F78-F82 HydrophobicContact CE2-CG 4.13Å; F78-F82 HydrophobicContact CZ-CB 3.73Å; F78-F82 AromaticContact CZ-CD1 3.79Å; F78-F82 HydrophobicContact CZ-CD1 3.79Å; F78-F82 AromaticContact CZ-CD2 3.64Å; F78-F82 HydrophobicContact CZ-CD2 3.64Å; F78-F82 HydrophobicContact CZ-CE1 4.31Å; F78-F82 HydrophobicContact CZ-CE2 4.15Å; F78-F82 AromaticContact CZ-CG 3.42Å; F78-F82 HydrophobicContact CZ-CG 3.42Å; F78-F82 VanDerWaalsContact CZ-CG 3.42Å; F78-F82 HydrophobicContact CZ-CZ 4.47Å
79	P	71.2	Confident	74.1	Confident	44 Å²	44	73 Å²	73	29%	0.286	40%	0.398	S	S	.	.			trans	-60.8	127	-175.2	20.4	-32.1	0	0	0	110.9	Y63 H81 F82	Y63-P79 PolarHBondContact OH-O 3.29Å; P79-H81 PolarHBondContact O-N 2.85Å; P79-F82 HydrophobicContact CG-CB 4.21Å; P79-F82 HydrophobicContact CG-CD2 3.91Å; P79-F82 PolarHBondContact O-N 3.48Å
80	P	71.9	Confident	73.4	Confident	101 Å²	101	68.5 Å²	68.5	66%	0.656	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18	-179.6	24.9	-32.1	0	0	0	113
81	H	75.7	Confident	72.5	Confident	109 Å²	109	70.8 Å²	70.8	51%	0.505	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	25.9	-179.4	-60.7	-77.5	0	0	0	112.4	P79 D83 E84 D85	P79-H81 PolarHBondContact O-N 2.85Å; H81-D83 PolarHBondContact O-N 3.1Å; H81-D83 VanDerWaalsContact O-N 3.1Å; H81-E84 HydrophobicContact CB-CB 4.42Å; H81-E84 HydrophobicContact CB-CG 4.28Å; H81-E84 IonicContact CE1-OE1 3.79Å; H81-E84 IonicContact CG-OE1 3.63Å; H81-E84 IonicContact ND1-OE1 2.83Å; H81-E84 PolarHBondContact ND1-OE1 3.44Å; H81-E84 WeakPolarHBondContact O-CB 3.5Å; H81-E84 PolarHBondContact O-N 2.92Å; H81-D85 PolarHBondContact O-N 2.92Å
82	F	78	Confident	71.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-53.3	-35.4	-177.4	-173.8	-101.2	0	0	0	113.4	Y45 C48 L49 C52 F62 F78 P79 E84 D85 C86	Y45-F82 AromaticContact CD2-CE2 3.82Å; Y45-F82 HydrophobicContact CD2-CE2 3.82Å; Y45-F82 HydrophobicContact CE2-CD2 4.1Å; Y45-F82 AromaticContact CE2-CE2 3.43Å; Y45-F82 HydrophobicContact CE2-CE2 3.43Å; Y45-F82 VanDerWaalsContact CE2-CE2 3.43Å; Y45-F82 HydrophobicContact CE2-CZ 4.45Å; Y45-F82 AromaticContact CZ-CE2 3.82Å; C48-F82 HydrophobicContact CB-CE1 3.81Å; C48-F82 HydrophobicContact CB-CE2 4.31Å; C48-F82 HydrophobicContact CB-CZ 3.58Å; L49-F82 HydrophobicContact CB-CZ 4Å; L49-F82 HydrophobicContact CD1-CZ 4.5Å; C52-F82 HydrophobicContact CB-CD1 4.37Å; C52-F82 HydrophobicContact CB-CE1 3.87Å; F62-F82 HydrophobicContact CD1-CD1 4.12Å; F62-F82 HydrophobicContact CD2-CD1 4.49Å; F62-F82 HydrophobicContact CD2-CE1 4.45Å; F62-F82 HydrophobicContact CE1-CD1 4.05Å; F62-F82 HydrophobicContact CE2-CD1 4.4Å; F62-F82 HydrophobicContact CE2-CE1 4.24Å; F62-F82 HydrophobicContact CG-CD1 4.33Å; F62-F82 HydrophobicContact CZ-CD1 4.18Å; F62-F82 HydrophobicContact CZ-CE1 4.33Å; F78-F82 HydrophobicContact CE1-CB 3.84Å; F78-F82 HydrophobicContact CE1-CD1 4.49Å; F78-F82 HydrophobicContact CE1-CG 4.05Å; F78-F82 AromaticContact CE2-CD2 3.86Å; F78-F82 HydrophobicContact CE2-CD2 3.86Å; F78-F82 HydrophobicContact CE2-CE2 4.15Å; F78-F82 HydrophobicContact CE2-CG 4.13Å; F78-F82 HydrophobicContact CZ-CB 3.73Å; F78-F82 AromaticContact CZ-CD1 3.79Å; F78-F82 HydrophobicContact CZ-CD1 3.79Å; F78-F82 AromaticContact CZ-CD2 3.64Å; F78-F82 HydrophobicContact CZ-CD2 3.64Å; F78-F82 HydrophobicContact CZ-CE1 4.31Å; F78-F82 HydrophobicContact CZ-CE2 4.15Å; F78-F82 AromaticContact CZ-CG 3.42Å; F78-F82 HydrophobicContact CZ-CG 3.42Å; F78-F82 VanDerWaalsContact CZ-CG 3.42Å; F78-F82 HydrophobicContact CZ-CZ 4.47Å; P79-F82 HydrophobicContact CG-CB 4.21Å; P79-F82 HydrophobicContact CG-CD2 3.91Å; P79-F82 PolarHBondContact O-N 3.48Å; F82-E84 VanDerWaalsContact C-N 3.28Å; F82-E84 PolarHBondContact O-N 3.41Å; F82-D85 PolarHBondContact O-N 3.17Å; F82-C86 WeakPolarHBondContact O-CB 3.48Å; F82-C86 PolarHBondContact O-N 2.76Å; F82-C86 VanDerWaalsContact O-N 3.07Å
83	D	74.4	Confident	69.8	Low	28 Å²	28	75.2 Å²	75.2	15%	0.15	42%	0.415	C	S	.	.	H	α-helix	trans	-60.5	-38.4	177.4	-64.6	20.5	0	0	0	111.4	S61 F62 Y63 H81 C86 V87	S61-D83 WeakPolarHBondContact CB-OD2 3.03Å; F62-D83 WeakPolarHBondContact CB-OD1 3.5Å; F62-D83 WeakPolarHBondContact CD1-OD1 3.27Å; F62-D83 PolarHBondContact N-OD2 3.36Å; Y63-D83 WeakPolarHBondContact CD2-OD1 3.27Å; Y63-D83 WeakPolarHBondContact CD2-OD2 3.42Å; Y63-D83 WeakPolarHBondContact CE2-OD1 3.08Å; H81-D83 PolarHBondContact O-N 3.1Å; H81-D83 VanDerWaalsContact O-N 3.1Å; D83-C86 WeakPolarHBondContact O-CB 3.44Å; D83-C86 PolarHBondContact O-N 2.75Å; D83-V87 WeakPolarHBondContact O-CG2 3.26Å; D83-V87 PolarHBondContact O-N 2.02Å
84	E	74.7	Confident	68.4	Low	116 Å²	116	77.6 Å²	77.6	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-67.1	-45.1	179.5	-61.6	176.8	-154.8	0	0	111.1	H81 F82 C86 V87 L88	H81-E84 HydrophobicContact CB-CB 4.42Å; H81-E84 HydrophobicContact CB-CG 4.28Å; H81-E84 IonicContact CE1-OE1 3.79Å; H81-E84 IonicContact CG-OE1 3.63Å; H81-E84 IonicContact ND1-OE1 2.83Å; H81-E84 PolarHBondContact ND1-OE1 3.44Å; H81-E84 WeakPolarHBondContact O-CB 3.5Å; H81-E84 PolarHBondContact O-N 2.92Å; F82-E84 VanDerWaalsContact C-N 3.28Å; F82-E84 PolarHBondContact O-N 3.41Å; E84-C86 PolarHBondContact O-N 2.86Å; E84-V87 PolarHBondContact O-N 3.25Å; E84-L88 WeakPolarHBondContact O-CG 3.33Å; E84-L88 PolarHBondContact O-N 3.15Å
85	D	70.1	Confident	66.8	Low	69 Å²	69	75 Å²	75	37%	0.369	41%	0.411	S	S	.	.	H	α-helix	trans	-58.3	-39.8	175.4	-71.1	-32.1	0	0	0	111.3	H81 F82 L88 L89	H81-D85 PolarHBondContact O-N 2.92Å; F82-D85 PolarHBondContact O-N 3.17Å; D85-L88 PolarHBondContact O-N 3.1Å; D85-L89 WeakPolarHBondContact O-CG 2.96Å; D85-L89 PolarHBondContact O-N 2.81Å
86	C	72	Confident	64.8	Low	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-67.4	-40	177.6	167.8	0	0	0	0	113	L49 C52 F82 D83 E84 L88 L89 S90	L49-C86 HydrophobicContact CD1-CB 4.04Å; C52-C86 HydrophobicContact CB-CB 3.77Å; C52-C86 WeakPolarHBondContact CB-SG 3.28Å; C52-C86 WeakPolarHBondContact SG-CB 3.4Å; C52-C86 CovalentContact SG-SG 2.02Å; C52-C86 PolarHBondContact SG-SG 3.17Å; F82-C86 WeakPolarHBondContact O-CB 3.48Å; F82-C86 PolarHBondContact O-N 2.76Å; F82-C86 VanDerWaalsContact O-N 3.07Å; D83-C86 WeakPolarHBondContact O-CB 3.44Å; D83-C86 PolarHBondContact O-N 2.75Å; E84-C86 PolarHBondContact O-N 2.86Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 3.26Å; C86-L89 PolarHBondContact O-N 3.23Å; C86-S90 WeakPolarHBondContact O-CB 3.25Å; C86-S90 PolarHBondContact O-N 3.17Å
87	V	70.1	Confident	63.2	Low	47 Å²	47	75.9 Å²	75.9	29%	0.285	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174.3	173.8	0	0	0	0	111.1	Y56 D83 E84 L89 S90 S91	Y56-V87 HydrophobicContact CD2-CG2 3.68Å; Y56-V87 HydrophobicContact CE2-CB 4.45Å; Y56-V87 HydrophobicContact CE2-CG1 4.37Å; Y56-V87 HydrophobicContact CE2-CG2 3.36Å; D83-V87 WeakPolarHBondContact O-CG2 3.26Å; D83-V87 PolarHBondContact O-N 2.02Å; E84-V87 PolarHBondContact O-N 3.25Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 2.83Å; V87-S90 PolarHBondContact O-N 3.09Å; V87-S91 PolarHBondContact O-N 3.44Å; V87-S91 PolarHBondContact O-OG 3.25Å
88	L	68.7	Low	61.4	Low	111 Å²	111	75.2 Å²	75.2	58%	0.581	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-43.3	175.1	-68.7	171.8	0	0	0	111.3	E84 D85 C86 S91 L92	E84-L88 WeakPolarHBondContact O-CG 3.33Å; E84-L88 PolarHBondContact O-N 3.15Å; D85-L88 PolarHBondContact O-N 3.1Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 3.26Å; L88-S91 WeakPolarHBondContact O-CB 3.25Å; L88-S91 PolarHBondContact O-N 3.45Å; L88-L92 PolarHBondContact O-N 3.28Å
89	L	65.1	Low	59.7	Low	65 Å²	65	78.4 Å²	78.4	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-67	-39	176.3	-74.1	167.6	0	0	0	112.7	L49 D85 C86 V87 S91 L92 N93	L49-L89 HydrophobicContact CD1-CD1 3.58Å; L49-L89 HydrophobicContact CD2-CD1 3.81Å; L49-L89 HydrophobicContact CG-CD1 4.36Å; D85-L89 WeakPolarHBondContact O-CG 2.96Å; D85-L89 PolarHBondContact O-N 2.81Å; C86-L89 PolarHBondContact O-N 3.23Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 2.83Å; L89-S91 VanDerWaalsContact C-N 3.3Å; L89-S91 PolarHBondContact O-N 2.75Å; L89-L92 HydrophobicContact CD2-CD1 4.44Å; L89-L92 WeakPolarHBondContact O-CB 3.09Å; L89-L92 PolarHBondContact O-N 3.15Å; L89-N93 WeakPolarHBondContact O-CB 3.22Å; L89-N93 PolarHBondContact O-N 3.14Å
90	S	61	Low	58.1	Low	16 Å²	16	82.8 Å²	82.8	11%	0.112	43%	0.434	C	S	.	.	H	α-helix	trans	-59.8	-43.8	174.1	-173.8	0	0	0	0	110.9	C86 V87 L92 N93 M94	C86-S90 WeakPolarHBondContact O-CB 3.25Å; C86-S90 PolarHBondContact O-N 3.17Å; V87-S90 PolarHBondContact O-N 3.09Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.44Å; S90-N93 PolarHBondContact O-N 3.29Å; S90-M94 WeakPolarHBondContact O-CG 3.18Å; S90-M94 PolarHBondContact O-N 3.33Å
91	S	58.9	Low	56.7	Low	57 Å²	57	84.6 Å²	84.6	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-41.3	175.5	-51.9	0	0	0	0	112.1	V87 L88 L89 K95	V87-S91 PolarHBondContact O-N 3.44Å; V87-S91 PolarHBondContact O-OG 3.25Å; L88-S91 WeakPolarHBondContact O-CB 3.25Å; L88-S91 PolarHBondContact O-N 3.45Å; L89-S91 VanDerWaalsContact C-N 3.3Å; L89-S91 PolarHBondContact O-N 2.75Å; S91-K95 WeakPolarHBondContact O-CB 3.43Å; S91-K95 WeakPolarHBondContact O-CG 3.18Å; S91-K95 PolarHBondContact O-N 3.29Å
92	L	52.7	Low	55	Low	106 Å²	106	90.6 Å²	90.6	56%	0.555	47%	0.465	S	S	*	.	H	α-helix	trans	-65.2	-42.8	174	-84.7	151	0	0	0	111.9	L88 L89 S90 K95 L96	L88-L92 PolarHBondContact O-N 3.28Å; L89-L92 HydrophobicContact CD2-CD1 4.44Å; L89-L92 WeakPolarHBondContact O-CB 3.09Å; L89-L92 PolarHBondContact O-N 3.15Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.44Å; L92-K95 PolarHBondContact O-N 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 PolarHBondContact O-N 2.92Å
93	N	47.9	Very low	53.8	Low	93 Å²	93	95.2 Å²	95.2	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-70	-37.1	-178.6	-140.5	-12.5	0	0	0	111.5	L89 S90 L96 K97	L89-N93 WeakPolarHBondContact O-CB 3.22Å; L89-N93 PolarHBondContact O-N 3.14Å; S90-N93 PolarHBondContact O-N 3.29Å; N93-L96 PolarHBondContact O-N 3.45Å; N93-K97 WeakPolarHBondContact O-CB 3.5Å; N93-K97 PolarHBondContact O-N 2.87Å
94	M	46.9	Very low	52.7	Low	121 Å²	121	98.7 Å²	98.7	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-62.6	-45.3	170.8	-72.9	-164	-173.7	0	0	111.5	S90 L96 K97 E98	S90-M94 WeakPolarHBondContact O-CG 3.18Å; S90-M94 PolarHBondContact O-N 3.33Å; M94-L96 VanDerWaalsContact C-N 3.31Å; M94-L96 PolarHBondContact O-N 3.28Å; M94-K97 PolarHBondContact O-N 3.26Å; M94-E98 PolarHBondContact O-N 3.42Å
95	K	41.9	Very low	51.5	Low	138 Å²	138	97.7 Å²	97.7	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-62	-36.9	174.4	-78.7	179.9	177.3	-178.3	0	113	S91 L92 S99	S91-K95 WeakPolarHBondContact O-CB 3.43Å; S91-K95 WeakPolarHBondContact O-CG 3.18Å; S91-K95 PolarHBondContact O-N 3.29Å; L92-K95 PolarHBondContact O-N 3.32Å; K95-S99 WeakPolarHBondContact O-CB 3.3Å; K95-S99 PolarHBondContact O-N 3.24Å; K95-S99 PolarHBondContact O-OG 3.04Å
96	L	35.2	Very low	50.4	Low	105 Å²	105	99.4 Å²	99.4	55%	0.55	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-41.3	176.5	-140.9	110.4	0	0	0	110.7	L92 N93 M94 S99 L100	L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 PolarHBondContact O-N 2.92Å; N93-L96 PolarHBondContact O-N 3.45Å; M94-L96 VanDerWaalsContact C-N 3.31Å; M94-L96 PolarHBondContact O-N 3.28Å; L96-S99 PolarHBondContact O-N 3.11Å; L96-L100 HydrophobicContact CD2-CD1 4.06Å; L96-L100 PolarHBondContact O-N 3.17Å; L96-L100 VanDerWaalsContact O-N 3.09Å
97	K	39.8	Very low	49	Very low	94 Å²	94	105.6 Å²	105.6	41%	0.409	54%	0.544	S	S	.	.	H	α-helix	trans	-65.6	-41.6	177.1	-155	174.9	-175.1	177.1	0	111.5	D30 N93 M94 L100 I101	D30-K97 IonicContact OD1-NZ 3.97Å; D30-K97 IonicContact OD2-NZ 3.59Å; N93-K97 WeakPolarHBondContact O-CB 3.5Å; N93-K97 PolarHBondContact O-N 2.87Å; M94-K97 PolarHBondContact O-N 3.26Å; K97-L100 PolarHBondContact O-N 3.27Å; K97-I101 HydrophobicContact CG-CD1 4.4Å; K97-I101 VanDerWaalsContact O-CD1 3.27Å; K97-I101 WeakPolarHBondContact O-CD1 2.92Å; K97-I101 VanDerWaalsContact O-CG1 3.22Å; K97-I101 WeakPolarHBondContact O-CG1 3.18Å; K97-I101 PolarHBondContact O-N 2.79Å
98	E	38.1	Very low	47.6	Very low	136 Å²	136	109.5 Å²	109.5	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-61.9	-41.6	172.4	-79.6	-178	102.2	0	0	112.3	M94 L100 I101	M94-E98 PolarHBondContact O-N 3.42Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.21Å; E98-I101 PolarHBondContact O-N 2.87Å
99	S	38.6	Very low	46.1	Very low	90 Å²	90	109.4 Å²	109.4	63%	0.629	56%	0.56	S	S	*	*	H	α-helix	trans	-68.9	-23.7	-179.4	-57.8	0	0	0	0	113.4	K95 L96	K95-S99 WeakPolarHBondContact O-CB 3.3Å; K95-S99 PolarHBondContact O-N 3.24Å; K95-S99 PolarHBondContact O-OG 3.04Å; L96-S99 PolarHBondContact O-N 3.11Å
100	L	39.3	Very low	44.7	Very low	136 Å²	136	112.8 Å²	112.8	71%	0.712	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-9.5	175.9	-93.4	142.7	0	0	0	113.5	L96 K97 E98	L96-L100 HydrophobicContact CD2-CD1 4.06Å; L96-L100 PolarHBondContact O-N 3.17Å; L96-L100 VanDerWaalsContact O-N 3.09Å; K97-L100 PolarHBondContact O-N 3.27Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.21Å
101	I	42.2	Very low	43.3	Very low	140 Å²	140	120.9 Å²	120.9	72%	0.718	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-8.2	-179.1	-65.1	165.2	0	0	0	111.9	K97 E98	K97-I101 HydrophobicContact CG-CD1 4.4Å; K97-I101 VanDerWaalsContact O-CD1 3.27Å; K97-I101 WeakPolarHBondContact O-CD1 2.92Å; K97-I101 VanDerWaalsContact O-CG1 3.22Å; K97-I101 WeakPolarHBondContact O-CG1 3.18Å; K97-I101 PolarHBondContact O-N 2.79Å; E98-I101 PolarHBondContact O-N 2.87Å
102	H	38.5	Very low	41.9	Very low	235 Å²	235	126.7 Å²	126.7	100%	1.088	64%	0.635	S	S	*	*			trans	-106.3	0	177.2	-134.9	124.2	0	0	0	112

Retrieved 102 of 102 residues in 52 ms (Link to these results)

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