A0A077ZEF5_TRITR Loading...

Histone H3

AlphaFold DB , UniProt , Accession A0A077ZEF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 aa.

						>A0A077ZEF5_TRITR|A0A077ZEF5
MVSLFEDTNLCAIHARRVTIMAKDIQLARPTLKEEEDIAEQEVEVYRQHLEMLHRVTDPMSSVGEVEIELQDKRMELQSNEELKVKSKSEYQQFWLQREMKELCPLL
					

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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	59.8	Low	77.8	Confident	142 Å²	142	83.5 Å²	83.5	70%	0.7	45%	0.446	S	S	*	.				0	-58.4	0	-79.9	176.8	169	0	0	113.1	S3 L4 F5 E42	M1-S3 PolarHBondContact O-N 2.85Å; M1-L4 PolarHBondContact O-N 2.87Å; M1-F5 VanDerWaalsContact O-CD2 3.26Å; M1-F5 WeakPolarHBondContact O-CD2 3.49Å; M1-F5 PolarHBondContact O-N 2.98Å; M1-E42 WeakPolarHBondContact CE-OE1 3.45Å
2	V	73.1	Confident	78.3	Confident	102 Å²	102	76.8 Å²	76.8	62%	0.618	41%	0.411	S	S	*	.	H	α-helix	trans	-57.2	-41.7	-175.2	-174.1	0	0	0	0	113.7	L4 F5 E6	V2-L4 PolarHBondContact O-N 3.37Å; V2-F5 PolarHBondContact O-N 2.8Å; V2-E6 HydrophobicContact CG1-CG 4.48Å; V2-E6 PolarHBondContact O-N 3.34Å
3	S	75.8	Confident	78.5	Confident	72 Å²	72	80 Å²	80	50%	0.503	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-42.4	-179.5	53.2	0	0	0	0	113.9	M1 F5 E6 D7	M1-S3 PolarHBondContact O-N 2.85Å; S3-F5 VanDerWaalsContact C-N 3.3Å; S3-F5 PolarHBondContact O-N 3.08Å; S3-E6 PolarHBondContact O-N 3.39Å; S3-D7 PolarHBondContact O-N 3.28Å
4	L	74.5	Confident	78.6	Confident	77 Å²	77	86.4 Å²	86.4	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-37.6	178	-73.9	170.7	0	0	0	111.5	M1 V2 T8	M1-L4 PolarHBondContact O-N 2.87Å; V2-L4 PolarHBondContact O-N 3.37Å; L4-T8 WeakPolarHBondContact O-CB 3.13Å; L4-T8 PolarHBondContact O-N 2.96Å; L4-T8 PolarHBondContact O-OG1 3.4Å
5	F	79.5	Confident	78.7	Confident	95 Å²	95	83.7 Å²	83.7	42%	0.417	45%	0.447	S	S	.	.	H	α-helix	trans	-68.8	-38.8	176.2	-77	-73.5	0	0	0	112	M1 V2 S3 T8 N9 Y46	M1-F5 VanDerWaalsContact O-CD2 3.26Å; M1-F5 WeakPolarHBondContact O-CD2 3.49Å; M1-F5 PolarHBondContact O-N 2.98Å; V2-F5 PolarHBondContact O-N 2.8Å; S3-F5 VanDerWaalsContact C-N 3.3Å; S3-F5 PolarHBondContact O-N 3.08Å; F5-T8 PolarHBondContact O-N 2.84Å; F5-N9 WeakPolarHBondContact O-CB 3.31Å; F5-N9 PolarHBondContact O-N 3.32Å; F5-N9 PolarHBondContact O-ND2 3.28Å; F5-Y46 HydrophobicContact CE1-CD2 4.46Å
6	E	82.1	Confident	78.8	Confident	123 Å²	123	93.3 Å²	93.3	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-61.2	-47.2	174.2	-71.8	174.2	-179.2	0	0	111.5	V2 S3 T8 N9 L10	V2-E6 HydrophobicContact CG1-CG 4.48Å; V2-E6 PolarHBondContact O-N 3.34Å; S3-E6 PolarHBondContact O-N 3.39Å; E6-T8 PolarHBondContact O-N 3.29Å; E6-N9 PolarHBondContact O-N 3.04Å; E6-L10 WeakPolarHBondContact O-CB 3.46Å; E6-L10 PolarHBondContact O-N 3.08Å
7	D	80.8	Confident	78.8	Confident	81 Å²	81	91 Å²	91	43%	0.433	46%	0.459	S	S	.	.	H	α-helix	trans	-65.2	-39.6	178.7	-71	-25.5	0	0	0	112	S3 L10 C11 A28	S3-D7 PolarHBondContact O-N 3.28Å; D7-L10 PolarHBondContact O-N 2.99Å; D7-C11 PolarHBondContact O-N 3.48Å; D7-C11 PolarHBondContact O-SG 3.24Å; D7-A28 HydrophobicContact CB-CB 3.78Å
8	T	83.8	Confident	78.7	Confident	6 Å²	6	93.9 Å²	93.9	4%	0.037	48%	0.481	C	S	.	.	H	α-helix	trans	-68.1	-42.7	177.1	-57.6	0	0	0	0	111.1	L4 F5 E6 L10 C11 A12 I20 D24 I25 A28	L4-T8 WeakPolarHBondContact O-CB 3.13Å; L4-T8 PolarHBondContact O-N 2.96Å; L4-T8 PolarHBondContact O-OG1 3.4Å; F5-T8 PolarHBondContact O-N 2.84Å; E6-T8 PolarHBondContact O-N 3.29Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-C11 WeakPolarHBondContact O-CB 3.18Å; T8-C11 PolarHBondContact O-N 2.84Å; T8-A12 PolarHBondContact O-N 2.99Å; T8-I20 HydrophobicContact CG2-CB 4.23Å; T8-I20 HydrophobicContact CG2-CD1 3.72Å; T8-I20 HydrophobicContact CG2-CG1 4.15Å; T8-I20 HydrophobicContact CG2-CG2 3.17Å; T8-I20 VanDerWaalsContact O-CD1 3.26Å; T8-I20 WeakPolarHBondContact O-CD1 3.36Å; T8-D24 HydrophobicContact CG2-CB 3.75Å; T8-I25 HydrophobicContact CG2-CB 4.42Å; T8-I25 HydrophobicContact CG2-CG1 3.59Å; T8-A28 WeakPolarHBondContact OG1-CB 3.11Å
9	N	84.6	Confident	78.7	Confident	73 Å²	73	91.9 Å²	91.9	39%	0.39	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-42.2	174.9	-76.3	-21.3	0	0	0	110.8	F5 E6 C11 A12 I13 I20	F5-N9 WeakPolarHBondContact O-CB 3.31Å; F5-N9 PolarHBondContact O-N 3.32Å; F5-N9 PolarHBondContact O-ND2 3.28Å; E6-N9 PolarHBondContact O-N 3.04Å; N9-C11 VanDerWaalsContact C-N 3.31Å; N9-C11 PolarHBondContact O-N 3.42Å; N9-A12 PolarHBondContact O-N 3.43Å; N9-I13 WeakPolarHBondContact O-CB 3.36Å; N9-I13 WeakPolarHBondContact O-CD1 3.26Å; N9-I13 WeakPolarHBondContact O-CG1 3.48Å; N9-I13 PolarHBondContact O-N 3.23Å; N9-I20 HydrophobicContact CB-CD1 4.36Å; N9-I20 WeakPolarHBondContact OD1-CD1 3.36Å; N9-I20 WeakPolarHBondContact OD1-CG1 3.34Å
10	L	80.9	Confident	78.8	Confident	114 Å²	114	88.1 Å²	88.1	60%	0.597	45%	0.454	S	S	*	.	H	α-helix	trans	-61.1	-41.1	175.7	-168.4	68.1	0	0	0	111.3	E6 D7 T8 I13 H14	E6-L10 WeakPolarHBondContact O-CB 3.46Å; E6-L10 PolarHBondContact O-N 3.08Å; D7-L10 PolarHBondContact O-N 2.99Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-I13 PolarHBondContact O-N 3.1Å; L10-H14 VanDerWaalsContact O-CB 3.26Å; L10-H14 WeakPolarHBondContact O-CB 3.5Å; L10-H14 PolarHBondContact O-N 3.24Å
11	C	81	Confident	78.7	Confident	34 Å²	34	87.8 Å²	87.8	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-62.4	-43	174.8	-73.3	0	0	0	0	112.5	D7 T8 N9 H14 A15 D24	D7-C11 PolarHBondContact O-N 3.48Å; D7-C11 PolarHBondContact O-SG 3.24Å; T8-C11 WeakPolarHBondContact O-CB 3.18Å; T8-C11 PolarHBondContact O-N 2.84Å; N9-C11 VanDerWaalsContact C-N 3.31Å; N9-C11 PolarHBondContact O-N 3.42Å; C11-H14 PolarHBondContact O-N 3.42Å; C11-A15 WeakPolarHBondContact O-CB 3.42Å; C11-A15 PolarHBondContact O-N 2.65Å; C11-A15 VanDerWaalsContact O-N 3.1Å; C11-D24 HydrophobicContact CB-CB 4Å
12	A	83.3	Confident	79.6	Confident	3 Å²	3	84.2 Å²	84.2	3%	0.025	45%	0.445	C	S	.	.	H	α-helix	trans	-64.8	-46.2	175.4	0	0	0	0	0	112	T8 N9 H14 A15 R16 R17 I20	T8-A12 PolarHBondContact O-N 2.99Å; N9-A12 PolarHBondContact O-N 3.43Å; A12-H14 VanDerWaalsContact C-N 3.32Å; A12-H14 PolarHBondContact O-N 3.01Å; A12-A15 CarbonylContact O-C 3.59Å; A12-A15 WeakPolarHBondContact O-CA 3.45Å; A12-A15 PolarHBondContact O-N 3.19Å; A12-A15 VanDerWaalsContact O-N 3.08Å; A12-R16 PolarHBondContact O-N 3.46Å; A12-R17 CarbonylContact C-O 3.51Å; A12-R17 PolarHBondContact O-N 2.79Å; A12-R17 VanDerWaalsContact O-O 3.06Å; A12-I20 HydrophobicContact CB-CD1 3.46Å; A12-I20 VanDerWaalsContact CB-CD1 3.46Å
13	I	81.8	Confident	79.8	Confident	118 Å²	118	83.9 Å²	83.9	61%	0.605	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-42.8	177.3	-69.2	165.6	0	0	0	110.6	N9 L10 A15 R16	N9-I13 WeakPolarHBondContact O-CB 3.36Å; N9-I13 WeakPolarHBondContact O-CD1 3.26Å; N9-I13 WeakPolarHBondContact O-CG1 3.48Å; N9-I13 PolarHBondContact O-N 3.23Å; L10-I13 PolarHBondContact O-N 3.1Å; I13-A15 PolarHBondContact O-N 2.98Å; I13-R16 WeakPolarHBondContact O-CA 3.29Å; I13-R16 PolarHBondContact O-N 3.42Å
14	H	79.2	Confident	79.9	Confident	170 Å²	170	80.4 Å²	80.4	79%	0.787	41%	0.411	S	S	*	.	H	α-helix	trans	-60.2	-37	176.2	-170	77.6	0	0	0	111.8	L10 C11 A12 R16	L10-H14 VanDerWaalsContact O-CB 3.26Å; L10-H14 WeakPolarHBondContact O-CB 3.5Å; L10-H14 PolarHBondContact O-N 3.24Å; C11-H14 PolarHBondContact O-N 3.42Å; A12-H14 VanDerWaalsContact C-N 3.32Å; A12-H14 PolarHBondContact O-N 3.01Å; H14-R16 PolarHBondContact O-N 3.41Å
15	A	80.1	Confident	79.9	Confident	46 Å²	46	79.8 Å²	79.8	38%	0.38	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	10.8	174.3	0	0	0	0	0	114.2	C11 A12 I13 R17	C11-A15 WeakPolarHBondContact O-CB 3.42Å; C11-A15 PolarHBondContact O-N 2.65Å; C11-A15 VanDerWaalsContact O-N 3.1Å; A12-A15 CarbonylContact O-C 3.59Å; A12-A15 WeakPolarHBondContact O-CA 3.45Å; A12-A15 PolarHBondContact O-N 3.19Å; A12-A15 VanDerWaalsContact O-N 3.08Å; I13-A15 PolarHBondContact O-N 2.98Å; A15-R17 PolarHBondContact O-N 2.7Å
16	R	80.2	Confident	79.7	Confident	237 Å²	237	82 Å²	82	89%	0.894	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.7	-176.7	-56.6	-177.3	179.2	-160.1	-1	113.3	A12 I13 H14	A12-R16 PolarHBondContact O-N 3.46Å; I13-R16 WeakPolarHBondContact O-CA 3.29Å; I13-R16 PolarHBondContact O-N 3.42Å; H14-R16 PolarHBondContact O-N 3.41Å
17	R	80	Confident	79.1	Confident	54 Å²	54	81.7 Å²	81.7	20%	0.204	42%	0.421	C	S	.	.			trans	-115.4	141.2	176.9	-70.8	177.5	-71.5	122	2.6	109.4	A12 A15 M21 D24	A12-R17 CarbonylContact C-O 3.51Å; A12-R17 PolarHBondContact O-N 2.79Å; A12-R17 VanDerWaalsContact O-O 3.06Å; A15-R17 PolarHBondContact O-N 2.7Å; R17-M21 VanDerWaalsContact NH1-CG 3.27Å; R17-M21 PolarHBondContact NH1-SD 2.8Å; R17-D24 IonicContact CZ-OD1 3.48Å; R17-D24 IonicContact CZ-OD2 3.44Å; R17-D24 IonicContact NH1-OD1 3.46Å; R17-D24 PolarHBondContact NH1-OD1 3.4Å; R17-D24 IonicContact NH1-OD2 2.7Å; R17-D24 PolarHBondContact NH1-OD2 2.63Å; R17-D24 IonicContact NH2-OD1 2.65Å; R17-D24 PolarHBondContact NH2-OD1 3.46Å; R17-D24 IonicContact NH2-OD2 3.41Å; R17-D24 PolarHBondContact NH2-OD2 2.94Å
18	V	75.9	Confident	78.5	Confident	143 Å²	143	78.3 Å²	78.3	87%	0.867	40%	0.404	S	S	*	.	S	Bend	trans	-90.9	-12.4	170.2	-64.4	0	0	0	0	112.1
19	T	80	Confident	77.7	Confident	57 Å²	57	83.9 Å²	83.9	35%	0.35	43%	0.425	S	S	.	.	S	Bend	trans	-98.7	124.8	179	-56.5	0	0	0	0	110.3	L50	T19-L50 HydrophobicContact CG2-CD1 4.09Å; T19-L50 HydrophobicContact CG2-CD2 3.59Å; T19-L50 HydrophobicContact CG2-CG 4.3Å
20	I	79.7	Confident	76.4	Confident	14 Å²	14	85.5 Å²	85.5	7%	0.072	44%	0.439	C	S	.	.			trans	-72	129	166.3	-55.3	-60.1	0	0	0	108.9	T8 N9 A12 D24 I25 Y46	T8-I20 HydrophobicContact CG2-CB 4.23Å; T8-I20 HydrophobicContact CG2-CD1 3.72Å; T8-I20 HydrophobicContact CG2-CG1 4.15Å; T8-I20 HydrophobicContact CG2-CG2 3.17Å; T8-I20 VanDerWaalsContact O-CD1 3.26Å; T8-I20 WeakPolarHBondContact O-CD1 3.36Å; N9-I20 HydrophobicContact CB-CD1 4.36Å; N9-I20 WeakPolarHBondContact OD1-CD1 3.36Å; N9-I20 WeakPolarHBondContact OD1-CG1 3.34Å; A12-I20 HydrophobicContact CB-CD1 3.46Å; A12-I20 VanDerWaalsContact CB-CD1 3.46Å; I20-D24 HydrophobicContact CG2-CB 4.21Å; I20-I25 HydrophobicContact CG2-CD1 4.31Å; I20-I25 HydrophobicContact CG2-CG1 3.99Å; I20-Y46 HydrophobicContact CB-CE1 4Å; I20-Y46 WeakPolarHBondContact CB-OH 3.47Å; I20-Y46 HydrophobicContact CG1-CE2 4.43Å; I20-Y46 WeakPolarHBondContact CG1-OH 3.43Å
21	M	77.9	Confident	75.3	Confident	82 Å²	82	86 Å²	86	40%	0.404	45%	0.447	S	S	.	.			trans	-107.9	158.8	171.5	-65.7	179.4	68.8	0	0	109.4	R17 K23 D24 I25	R17-M21 VanDerWaalsContact NH1-CG 3.27Å; R17-M21 PolarHBondContact NH1-SD 2.8Å; M21-K23 HydrophobicContact CB-CD 4.39Å; M21-K23 HydrophobicContact CB-CG 3.8Å; M21-K23 HydrophobicContact CE-CD 4.34Å; M21-K23 PolarHBondContact O-N 3.4Å; M21-K23 HydrophobicContact SD-CD 4.36Å; M21-K23 WeakPolarHBondContact SD-CE 3.21Å; M21-D24 PolarHBondContact N-OD2 3.33Å; M21-D24 WeakPolarHBondContact O-CB 3.39Å; M21-D24 PolarHBondContact O-N 3.27Å; M21-I25 PolarHBondContact O-N 3.43Å
22	A	78	Confident	73.7	Confident	68 Å²	68	91 Å²	91	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-52.4	-32.9	175.9	0	0	0	0	0	112.8	D24 I25 Q26	A22-D24 VanDerWaalsContact C-N 3.3Å; A22-D24 PolarHBondContact O-N 2.92Å; A22-I25 PolarHBondContact O-N 3.3Å; A22-Q26 WeakPolarHBondContact O-CG 3.44Å; A22-Q26 PolarHBondContact O-N 3.24Å
23	K	76.7	Confident	72.1	Confident	94 Å²	94	101.4 Å²	101.4	41%	0.409	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-31.9	173.7	67.7	-174.8	-174.8	-171.9	0	113.6	M21 Q26 L27	M21-K23 HydrophobicContact CB-CD 4.39Å; M21-K23 HydrophobicContact CB-CG 3.8Å; M21-K23 HydrophobicContact CE-CD 4.34Å; M21-K23 PolarHBondContact O-N 3.4Å; M21-K23 HydrophobicContact SD-CD 4.36Å; M21-K23 WeakPolarHBondContact SD-CE 3.21Å; K23-Q26 PolarHBondContact O-N 3.45Å; K23-L27 WeakPolarHBondContact O-CB 3.5Å; K23-L27 WeakPolarHBondContact O-CD1 3.19Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.03Å
24	D	77.3	Confident	70.5	Confident	0 Å²	0	103.2 Å²	103.2	0%	0	52%	0.522	C	S	.	.	H	α-helix	trans	-71.6	-37.1	177.6	-58.2	-44.7	0	0	0	110.8	T8 C11 R17 I20 M21 A22 Q26 L27 A28	T8-D24 HydrophobicContact CG2-CB 3.75Å; C11-D24 HydrophobicContact CB-CB 4Å; R17-D24 IonicContact CZ-OD1 3.48Å; R17-D24 IonicContact CZ-OD2 3.44Å; R17-D24 IonicContact NH1-OD1 3.46Å; R17-D24 PolarHBondContact NH1-OD1 3.4Å; R17-D24 IonicContact NH1-OD2 2.7Å; R17-D24 PolarHBondContact NH1-OD2 2.63Å; R17-D24 IonicContact NH2-OD1 2.65Å; R17-D24 PolarHBondContact NH2-OD1 3.46Å; R17-D24 IonicContact NH2-OD2 3.41Å; R17-D24 PolarHBondContact NH2-OD2 2.94Å; I20-D24 HydrophobicContact CG2-CB 4.21Å; M21-D24 PolarHBondContact N-OD2 3.33Å; M21-D24 WeakPolarHBondContact O-CB 3.39Å; M21-D24 PolarHBondContact O-N 3.27Å; A22-D24 VanDerWaalsContact C-N 3.3Å; A22-D24 PolarHBondContact O-N 2.92Å; D24-Q26 VanDerWaalsContact C-N 3.33Å; D24-L27 PolarHBondContact O-N 2.88Å; D24-A28 WeakPolarHBondContact O-CB 3.04Å; D24-A28 PolarHBondContact O-N 3.2Å
25	I	74.9	Confident	68.9	Low	63 Å²	63	104.3 Å²	104.3	32%	0.323	53%	0.527	S	S	.	.	H	α-helix	trans	-66.4	-40.7	174.1	-58.5	169.7	0	0	0	109.6	T8 I20 M21 A22 L27 A28 R29	T8-I25 HydrophobicContact CG2-CB 4.42Å; T8-I25 HydrophobicContact CG2-CG1 3.59Å; I20-I25 HydrophobicContact CG2-CD1 4.31Å; I20-I25 HydrophobicContact CG2-CG1 3.99Å; M21-I25 PolarHBondContact O-N 3.43Å; A22-I25 PolarHBondContact O-N 3.3Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-A28 CarbonylContact O-C 3.19Å; I25-A28 PolarHBondContact O-N 2.87Å; I25-R29 VanDerWaalsContact O-CB 3.29Å; I25-R29 WeakPolarHBondContact O-CB 3.48Å; I25-R29 WeakPolarHBondContact O-CG 3.26Å; I25-R29 PolarHBondContact O-N 2.85Å
26	Q	75.5	Confident	67.5	Low	143 Å²	143	109.4 Å²	109.4	67%	0.668	54%	0.543	S	S	*	.	H	α-helix	trans	-63.8	-38.8	174.4	-69.8	174.3	17.8	0	0	112	A22 K23 D24 R29	A22-Q26 WeakPolarHBondContact O-CG 3.44Å; A22-Q26 PolarHBondContact O-N 3.24Å; K23-Q26 PolarHBondContact O-N 3.45Å; D24-Q26 VanDerWaalsContact C-N 3.33Å; Q26-R29 WeakPolarHBondContact O-CB 3.2Å; Q26-R29 PolarHBondContact O-N 3.34Å
27	L	69	Low	66.2	Low	115 Å²	115	105.7 Å²	105.7	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-72.4	-30.8	176.4	-72.2	168.8	0	0	0	112.8	K23 D24 I25 R29 P30	K23-L27 WeakPolarHBondContact O-CB 3.5Å; K23-L27 WeakPolarHBondContact O-CD1 3.19Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.03Å; D24-L27 PolarHBondContact O-N 2.88Å; I25-L27 VanDerWaalsContact C-N 3.33Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-P30 VanDerWaalsContact O-CD 3.31Å; L27-P30 WeakPolarHBondContact O-CD 3.22Å
28	A	69.7	Low	65.2	Low	10 Å²	10	107 Å²	107	8%	0.083	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-1	174	0	0	0	0	0	113.4	D7 T8 D24 I25 P30	D7-A28 HydrophobicContact CB-CB 3.78Å; T8-A28 WeakPolarHBondContact OG1-CB 3.11Å; D24-A28 WeakPolarHBondContact O-CB 3.04Å; D24-A28 PolarHBondContact O-N 3.2Å; I25-A28 CarbonylContact O-C 3.19Å; I25-A28 PolarHBondContact O-N 2.87Å; A28-P30 WeakPolarHBondContact O-CD 3.26Å
29	R	66.9	Low	64.5	Low	123 Å²	123	102.2 Å²	102.2	46%	0.464	53%	0.526	S	S	.	.			trans	-86.3	11.3	177	-106.1	-177.1	-176.6	-153.3	-1.1	117.7	I25 Q26 L27 T31	I25-R29 VanDerWaalsContact O-CB 3.29Å; I25-R29 WeakPolarHBondContact O-CB 3.48Å; I25-R29 WeakPolarHBondContact O-CG 3.26Å; I25-R29 PolarHBondContact O-N 2.85Å; Q26-R29 WeakPolarHBondContact O-CB 3.2Å; Q26-R29 PolarHBondContact O-N 3.34Å; L27-R29 VanDerWaalsContact C-N 3.31Å; R29-T31 PolarHBondContact O-N 3.48Å
30	P	57.3	Low	63.7	Low	108 Å²	108	107.4 Å²	107.4	70%	0.701	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	12.3	-162.4	29.4	-32.5	0	0	0	116.7	L27 A28	L27-P30 VanDerWaalsContact O-CD 3.31Å; L27-P30 WeakPolarHBondContact O-CD 3.22Å; A28-P30 WeakPolarHBondContact O-CD 3.26Å
31	T	56.3	Low	63	Low	124 Å²	124	114.1 Å²	114.1	76%	0.761	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	-6.2	-173.6	-29.3	0	0	0	0	117.5	R29	R29-T31 PolarHBondContact O-N 3.48Å
32	L	48.6	Very low	62.3	Low	138 Å²	138	113.9 Å²	113.9	72%	0.723	58%	0.576	S	S	*	*			trans	-126.5	105.7	179	-63.5	174.4	0	0	0	111.1	E34	L32-E34 PolarHBondContact O-N 3.24Å; L32-E34 VanDerWaalsContact O-N 3.08Å
33	K	48.8	Very low	61.7	Low	222 Å²	222	113.3 Å²	113.3	97%	0.965	57%	0.565	S	S	*	*			trans	-74.9	30.1	176.1	-103.1	-178	176.4	178.5	0	113
34	E	48.3	Very low	61.5	Low	157 Å²	157	112.4 Å²	112.4	73%	0.734	56%	0.562	S	S	*	*			trans	-118.7	117.6	-179.2	-64.4	-172.9	173.3	0	0	108.5	L32 E36	L32-E34 PolarHBondContact O-N 3.24Å; L32-E34 VanDerWaalsContact O-N 3.08Å; E34-E36 PolarHBondContact O-N 3.05Å
35	E	45.4	Very low	61.3	Low	192 Å²	192	115.9 Å²	115.9	90%	0.897	58%	0.584	S	S	*	*			trans	-61.7	81.6	167.1	-74.8	176.9	129.8	0	0	108.8	D37	E35-D37 PolarHBondContact O-N 2.82Å
36	E	51.2	Low	61	Low	154 Å²	154	116.4 Å²	116.4	72%	0.72	58%	0.582	S	S	*	*			trans	-77.4	109.5	155.4	-85.7	-173.5	145.2	0	0	107.1	E34 I38	E34-E36 PolarHBondContact O-N 3.05Å; E36-I38 PolarHBondContact O-N 3.22Å
37	D	53.6	Low	60.9	Low	159 Å²	159	115.1 Å²	115.1	85%	0.85	57%	0.571	S	S	*	*			trans	-49.7	104.4	164.6	-86.4	-35.9	0	0	0	108.2	E35 A39	E35-D37 PolarHBondContact O-N 2.82Å; D37-A39 PolarHBondContact O-N 3.28Å
38	I	57.5	Low	61.2	Low	80 Å²	80	114.5 Å²	114.5	41%	0.41	57%	0.565	S	S	.	*			trans	-64.3	112.3	168	-59	173.9	0	0	0	105	E36 E40 E42 V43	E36-I38 PolarHBondContact O-N 3.22Å; I38-E40 PolarHBondContact O-N 3.46Å; I38-E42 HydrophobicContact CG2-CB 4.06Å; I38-V43 HydrophobicContact CG2-CG2 3.78Å
39	A	60.9	Low	61.5	Low	43 Å²	43	119 Å²	119	36%	0.355	58%	0.584	S	S	.	*			trans	-53.7	131.5	179.7	0	0	0	0	0	108.9	D37 Q41 E42 V43	D37-A39 PolarHBondContact O-N 3.28Å; A39-Q41 PolarHBondContact O-N 3.31Å; A39-E42 HydrophobicContact CB-CG 4.4Å; A39-E42 WeakPolarHBondContact O-CB 3.26Å; A39-E42 PolarHBondContact O-N 2.89Å; A39-V43 PolarHBondContact O-N 3.02Å
40	E	64	Low	61.8	Low	166 Å²	166	115.6 Å²	115.6	78%	0.776	58%	0.575	S	S	*	*	H	α-helix	trans	-51.2	-28.8	179.7	-68.2	179.9	166.5	0	0	112.4	I38 V43 E44	I38-E40 PolarHBondContact O-N 3.46Å; E40-V43 PolarHBondContact O-N 3.5Å; E40-E44 WeakPolarHBondContact O-CB 3.05Å; E40-E44 PolarHBondContact O-N 2.92Å
41	Q	65.7	Low	62.6	Low	155 Å²	155	116 Å²	116	72%	0.724	57%	0.567	S	S	*	*	H	α-helix	trans	-61	-40	174	-65.3	175.3	3.3	0	0	113.1	A39 V43 E44 V45	A39-Q41 PolarHBondContact O-N 3.31Å; Q41-V43 VanDerWaalsContact C-N 3.35Å; Q41-E44 PolarHBondContact O-N 3.29Å; Q41-V45 VanDerWaalsContact O-CG2 3.31Å; Q41-V45 WeakPolarHBondContact O-CG2 2.89Å; Q41-V45 PolarHBondContact O-N 2.93Å
42	E	61.6	Low	63.6	Low	78 Å²	78	115.6 Å²	115.6	36%	0.364	56%	0.558	S	S	.	*	H	α-helix	trans	-68.6	-38.8	178	-68.1	-175.8	-178.3	0	0	111.2	M1 I38 A39 E44 Y46	M1-E42 WeakPolarHBondContact CE-OE1 3.45Å; I38-E42 HydrophobicContact CG2-CB 4.06Å; A39-E42 HydrophobicContact CB-CG 4.4Å; A39-E42 WeakPolarHBondContact O-CB 3.26Å; A39-E42 PolarHBondContact O-N 2.89Å; E42-E44 VanDerWaalsContact C-N 3.3Å; E42-E44 PolarHBondContact O-N 3.35Å; E42-Y46 WeakPolarHBondContact O-CB 3.41Å; E42-Y46 PolarHBondContact O-N 3.48Å
43	V	66.4	Low	64.7	Low	56 Å²	56	114.1 Å²	114.1	34%	0.339	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-40.3	173.9	-172	0	0	0	0	110.4	I38 A39 E40 Q41 Y46 R47	I38-V43 HydrophobicContact CG2-CG2 3.78Å; A39-V43 PolarHBondContact O-N 3.02Å; E40-V43 PolarHBondContact O-N 3.5Å; Q41-V43 VanDerWaalsContact C-N 3.35Å; V43-Y46 WeakPolarHBondContact O-CB 3.37Å; V43-Y46 PolarHBondContact O-N 2.74Å; V43-R47 VanDerWaalsContact CG1-NH1 3.28Å; V43-R47 WeakPolarHBondContact O-CG 3.49Å; V43-R47 PolarHBondContact O-N 2.87Å
44	E	72.5	Confident	65.5	Low	74 Å²	74	108.8 Å²	108.8	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-44.9	179.8	-171.6	54.8	-149.3	0	0	112.6	E40 Q41 E42 Y46 R47 Q48	E40-E44 WeakPolarHBondContact O-CB 3.05Å; E40-E44 PolarHBondContact O-N 2.92Å; Q41-E44 PolarHBondContact O-N 3.29Å; E42-E44 VanDerWaalsContact C-N 3.3Å; E42-E44 PolarHBondContact O-N 3.35Å; E44-Y46 PolarHBondContact O-N 3.44Å; E44-R47 PolarHBondContact O-N 2.96Å; E44-R47 IonicContact OE2-CZ 3.23Å; E44-R47 VanDerWaalsContact OE2-CZ 3.23Å; E44-R47 IonicContact OE2-NE 2.87Å; E44-R47 PolarHBondContact OE2-NE 3.2Å; E44-R47 IonicContact OE2-NH2 2.74Å; E44-R47 PolarHBondContact OE2-NH2 3.37Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.34Å; E44-Q48 PolarHBondContact OE1-NE2 2.8Å
45	V	73.8	Confident	66.4	Low	74 Å²	74	110.1 Å²	110.1	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-59.2	-39.6	173.2	171.5	0	0	0	0	110.5	Q41 H49	Q41-V45 VanDerWaalsContact O-CG2 3.31Å; Q41-V45 WeakPolarHBondContact O-CG2 2.89Å; Q41-V45 PolarHBondContact O-N 2.93Å; V45-H49 VanDerWaalsContact CG1-CE1 3.49Å; V45-H49 WeakPolarHBondContact CG1-CE1 3.44Å; V45-H49 WeakPolarHBondContact CG1-ND1 3.4Å; V45-H49 PolarHBondContact O-N 3.09Å; V45-H49 VanDerWaalsContact O-N 3.09Å; V45-H49 PolarHBondContact O-ND1 3.01Å
46	Y	68.5	Low	67.6	Low	73 Å²	73	106.1 Å²	106.1	29%	0.286	52%	0.516	S	S	.	.	H	α-helix	trans	-65.4	-44.6	176.7	-166.6	-99.2	0	0	0	112.2	F5 I20 E42 V43 E44 Q48 H49 L50	F5-Y46 HydrophobicContact CE1-CD2 4.46Å; I20-Y46 HydrophobicContact CB-CE1 4Å; I20-Y46 WeakPolarHBondContact CB-OH 3.47Å; I20-Y46 HydrophobicContact CG1-CE2 4.43Å; I20-Y46 WeakPolarHBondContact CG1-OH 3.43Å; E42-Y46 WeakPolarHBondContact O-CB 3.41Å; E42-Y46 PolarHBondContact O-N 3.48Å; V43-Y46 WeakPolarHBondContact O-CB 3.37Å; V43-Y46 PolarHBondContact O-N 2.74Å; E44-Y46 PolarHBondContact O-N 3.44Å; Y46-Q48 PolarHBondContact O-N 2.82Å; Y46-H49 PolarHBondContact O-N 3.48Å; Y46-L50 HydrophobicContact CD1-CD1 4.11Å; Y46-L50 HydrophobicContact CE1-CD1 3.29Å; Y46-L50 PolarHBondContact O-N 3.22Å; Y46-L50 VanDerWaalsContact OH-CD1 3.26Å; Y46-L50 WeakPolarHBondContact OH-CD1 3.31Å
47	R	72.5	Confident	68.4	Low	117 Å²	117	104.1 Å²	104.1	44%	0.442	51%	0.514	S	S	.	.	H	α-helix	trans	-57.2	-48.7	175.4	-79.7	-170.3	-75.2	-105.7	-0.6	111.7	V43 E44 H49 L50 E51	V43-R47 VanDerWaalsContact CG1-NH1 3.28Å; V43-R47 WeakPolarHBondContact O-CG 3.49Å; V43-R47 PolarHBondContact O-N 2.87Å; E44-R47 PolarHBondContact O-N 2.96Å; E44-R47 IonicContact OE2-CZ 3.23Å; E44-R47 VanDerWaalsContact OE2-CZ 3.23Å; E44-R47 IonicContact OE2-NE 2.87Å; E44-R47 PolarHBondContact OE2-NE 3.2Å; E44-R47 IonicContact OE2-NH2 2.74Å; E44-R47 PolarHBondContact OE2-NH2 3.37Å; R47-H49 PolarHBondContact O-N 2.89Å; R47-L50 WeakPolarHBondContact O-CB 3.49Å; R47-L50 PolarHBondContact O-N 2.92Å; R47-L50 VanDerWaalsContact O-N 3.09Å; R47-E51 WeakPolarHBondContact O-CG 3.31Å; R47-E51 PolarHBondContact O-N 3.45Å
48	Q	75.7	Confident	68.9	Low	102 Å²	102	99.8 Å²	99.8	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-42.1	-179.9	-70.4	173.7	7	0	0	112.5	E44 Y46 L50 E51 M52	E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.34Å; E44-Q48 PolarHBondContact OE1-NE2 2.8Å; Y46-Q48 PolarHBondContact O-N 2.82Å; Q48-L50 VanDerWaalsContact C-N 3.28Å; Q48-L50 PolarHBondContact O-N 2.75Å; Q48-E51 PolarHBondContact O-N 2.84Å; Q48-M52 WeakPolarHBondContact O-CB 3.44Å; Q48-M52 PolarHBondContact O-N 3.3Å
49	H	75.6	Confident	69.2	Low	104 Å²	104	100.2 Å²	100.2	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-61.7	-39	173.6	-78.1	110.8	0	0	0	111.9	V45 Y46 R47 M52 L53	V45-H49 VanDerWaalsContact CG1-CE1 3.49Å; V45-H49 WeakPolarHBondContact CG1-CE1 3.44Å; V45-H49 WeakPolarHBondContact CG1-ND1 3.4Å; V45-H49 PolarHBondContact O-N 3.09Å; V45-H49 VanDerWaalsContact O-N 3.09Å; V45-H49 PolarHBondContact O-ND1 3.01Å; Y46-H49 PolarHBondContact O-N 3.48Å; R47-H49 PolarHBondContact O-N 2.89Å; H49-M52 PolarHBondContact O-N 3.09Å; H49-L53 WeakPolarHBondContact O-CG 3.33Å; H49-L53 PolarHBondContact O-N 3.36Å
50	L	73	Confident	69	Low	51 Å²	51	104.3 Å²	104.3	27%	0.267	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-43.6	178.5	-135.8	108.1	0	0	0	112.2	T19 Y46 R47 Q48 M52 L53 H54	T19-L50 HydrophobicContact CG2-CD1 4.09Å; T19-L50 HydrophobicContact CG2-CD2 3.59Å; T19-L50 HydrophobicContact CG2-CG 4.3Å; Y46-L50 HydrophobicContact CD1-CD1 4.11Å; Y46-L50 HydrophobicContact CE1-CD1 3.29Å; Y46-L50 PolarHBondContact O-N 3.22Å; Y46-L50 VanDerWaalsContact OH-CD1 3.26Å; Y46-L50 WeakPolarHBondContact OH-CD1 3.31Å; R47-L50 WeakPolarHBondContact O-CB 3.49Å; R47-L50 PolarHBondContact O-N 2.92Å; R47-L50 VanDerWaalsContact O-N 3.09Å; Q48-L50 VanDerWaalsContact C-N 3.28Å; Q48-L50 PolarHBondContact O-N 2.75Å; L50-M52 VanDerWaalsContact C-N 3.31Å; L50-M52 PolarHBondContact O-N 3.03Å; L50-L53 PolarHBondContact O-N 2.99Å; L50-H54 WeakPolarHBondContact O-CB 3.4Å; L50-H54 PolarHBondContact O-N 2.84Å
51	E	74.9	Confident	68.8	Low	117 Å²	117	98.1 Å²	98.1	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-60.1	-42.2	173.9	-74.2	177.2	-172	0	0	111.3	R47 Q48 H54 R55	R47-E51 WeakPolarHBondContact O-CG 3.31Å; R47-E51 PolarHBondContact O-N 3.45Å; Q48-E51 PolarHBondContact O-N 2.84Å; E51-H54 PolarHBondContact O-N 3.48Å; E51-R55 WeakPolarHBondContact O-CG 3.37Å; E51-R55 PolarHBondContact O-N 3.48Å
52	M	76.1	Confident	68.4	Low	116 Å²	116	94.3 Å²	94.3	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-61.9	-46.6	174.9	-171.7	-168.6	-54.9	0	0	111.6	Q48 H49 L50 H54 R55 V56	Q48-M52 WeakPolarHBondContact O-CB 3.44Å; Q48-M52 PolarHBondContact O-N 3.3Å; H49-M52 PolarHBondContact O-N 3.09Å; L50-M52 VanDerWaalsContact C-N 3.31Å; L50-M52 PolarHBondContact O-N 3.03Å; M52-H54 VanDerWaalsContact C-N 3.33Å; M52-H54 PolarHBondContact O-N 3.36Å; M52-R55 WeakPolarHBondContact O-CB 3.31Å; M52-R55 PolarHBondContact O-N 3.28Å; M52-V56 WeakPolarHBondContact O-CG2 3.39Å; M52-V56 PolarHBondContact O-N 2.92Å; M52-V56 VanDerWaalsContact O-N 3.12Å
53	L	72.7	Confident	68.1	Low	107 Å²	107	93.5 Å²	93.5	56%	0.56	48%	0.478	S	S	*	.	H	α-helix	trans	-63.8	-38.4	176.8	-76.3	173.4	0	0	0	112.1	H49 L50 V56 T57	H49-L53 WeakPolarHBondContact O-CG 3.33Å; H49-L53 PolarHBondContact O-N 3.36Å; L50-L53 PolarHBondContact O-N 2.99Å; L53-V56 PolarHBondContact O-N 3.3Å; L53-T57 VanDerWaalsContact O-CB 3.31Å; L53-T57 WeakPolarHBondContact O-CB 3.35Å; L53-T57 PolarHBondContact O-N 3Å; L53-T57 PolarHBondContact O-OG1 3.4Å
54	H	66.1	Low	67.7	Low	109 Å²	109	92.2 Å²	92.2	51%	0.505	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-43.7	175.8	-167.5	-107.6	0	0	0	111.2	L50 E51 M52 V56 T57 D58 S61	L50-H54 WeakPolarHBondContact O-CB 3.4Å; L50-H54 PolarHBondContact O-N 2.84Å; E51-H54 PolarHBondContact O-N 3.48Å; M52-H54 VanDerWaalsContact C-N 3.33Å; M52-H54 PolarHBondContact O-N 3.36Å; H54-V56 VanDerWaalsContact C-N 3.3Å; H54-V56 PolarHBondContact O-N 2.85Å; H54-T57 PolarHBondContact O-N 3.25Å; H54-D58 PolarHBondContact O-N 3.29Å; H54-S61 PolarHBondContact CE1-OG 3.02Å; H54-S61 PolarHBondContact ND1-OG 2.86Å
55	R	66	Low	67.2	Low	186 Å²	186	95.6 Å²	95.6	70%	0.702	49%	0.491	S	S	*	.	H	α-helix	trans	-61	-34.9	174.5	-73	172.1	176.4	-116.4	-0.5	113.5	E51 M52 P59	E51-R55 WeakPolarHBondContact O-CG 3.37Å; E51-R55 PolarHBondContact O-N 3.48Å; M52-R55 WeakPolarHBondContact O-CB 3.31Å; M52-R55 PolarHBondContact O-N 3.28Å; R55-P59 WeakPolarHBondContact O-CA 3.22Å
56	V	71	Confident	66.7	Low	108 Å²	108	95.6 Å²	95.6	66%	0.655	49%	0.491	S	S	*	.	H	α-helix	trans	-77.4	-39.1	177.5	173.8	0	0	0	0	111.5	M52 L53 H54	M52-V56 WeakPolarHBondContact O-CG2 3.39Å; M52-V56 PolarHBondContact O-N 2.92Å; M52-V56 VanDerWaalsContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 3.3Å; H54-V56 VanDerWaalsContact C-N 3.3Å; H54-V56 PolarHBondContact O-N 2.85Å
57	T	68.5	Low	66.7	Low	112 Å²	112	98 Å²	98	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-75.4	-39.3	-176.1	-54.6	0	0	0	0	111.5	L53 H54	L53-T57 VanDerWaalsContact O-CB 3.31Å; L53-T57 WeakPolarHBondContact O-CB 3.35Å; L53-T57 PolarHBondContact O-N 3Å; L53-T57 PolarHBondContact O-OG1 3.4Å; H54-T57 PolarHBondContact O-N 3.25Å
58	D	63.9	Low	66.8	Low	68 Å²	68	97.2 Å²	97.2	36%	0.364	51%	0.509	S	S	.	.			trans	-128.1	81.4	175.1	-170.9	0.2	0	0	0	109.9	H54 M60 S61	H54-D58 PolarHBondContact O-N 3.29Å; D58-M60 PolarHBondContact O-N 3.42Å; D58-M60 WeakPolarHBondContact OD1-CA 3.39Å; D58-M60 VanDerWaalsContact OD1-CB 3.31Å; D58-M60 WeakPolarHBondContact OD1-CB 3.19Å; D58-M60 PolarHBondContact OD1-N 3.42Å; D58-S61 VanDerWaalsContact CG-N 3.31Å; D58-S61 PolarHBondContact O-N 3.11Å; D58-S61 PolarHBondContact O-OG 3.42Å; D58-S61 PolarHBondContact OD1-N 2.94Å; D58-S61 WeakPolarHBondContact OD2-CB 3.42Å
59	P	63.1	Low	66.7	Low	88 Å²	88	98.8 Å²	98.8	57%	0.571	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.4	172.1	-20.9	32.2	0	0	0	112.5	R55	R55-P59 WeakPolarHBondContact O-CA 3.22Å
60	M	57	Low	66.9	Low	130 Å²	130	99.2 Å²	99.2	64%	0.64	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.4	179.7	-56.7	-63.2	-144	0	0	112.8	D58 S62 V63 G64	D58-M60 PolarHBondContact O-N 3.42Å; D58-M60 WeakPolarHBondContact OD1-CA 3.39Å; D58-M60 VanDerWaalsContact OD1-CB 3.31Å; D58-M60 WeakPolarHBondContact OD1-CB 3.19Å; D58-M60 PolarHBondContact OD1-N 3.42Å; M60-S62 PolarHBondContact O-N 3.43Å; M60-V63 HydrophobicContact CB-CB 4.35Å; M60-V63 HydrophobicContact CB-CG2 4.46Å; M60-V63 CarbonylContact O-C 3.52Å; M60-V63 VanDerWaalsContact O-CA 3.27Å; M60-V63 WeakPolarHBondContact O-CA 3.42Å; M60-V63 WeakPolarHBondContact O-CB 3.5Å; M60-V63 PolarHBondContact O-N 3.38Å; M60-V63 HydrophobicContact SD-CB 4.42Å; M60-V63 HydrophobicContact SD-CG2 3.84Å; M60-G64 PolarHBondContact O-N 3Å
61	S	60.2	Low	67.1	Low	35 Å²	35	102.3 Å²	102.3	25%	0.245	53%	0.534	C	S	.	.	H	α-helix	trans	-64.5	-31	178	66.4	0	0	0	0	112.4	H54 D58 V63 G64	H54-S61 PolarHBondContact CE1-OG 3.02Å; H54-S61 PolarHBondContact ND1-OG 2.86Å; D58-S61 VanDerWaalsContact CG-N 3.31Å; D58-S61 PolarHBondContact O-N 3.11Å; D58-S61 PolarHBondContact O-OG 3.42Å; D58-S61 PolarHBondContact OD1-N 2.94Å; D58-S61 WeakPolarHBondContact OD2-CB 3.42Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-G64 PolarHBondContact O-N 3.36Å
62	S	56.9	Low	67.5	Low	76 Å²	76	101.1 Å²	101.1	53%	0.531	53%	0.532	S	S	.	.	H	α-helix	trans	-72.3	-23.6	168.9	67.2	0	0	0	0	112.8	M60 G64	M60-S62 PolarHBondContact O-N 3.43Å; S62-G64 VanDerWaalsContact C-N 3.3Å
63	V	54.7	Low	67.7	Low	61 Å²	61	101.9 Å²	101.9	37%	0.37	53%	0.532	S	S	.	.	H	α-helix	trans	-71.5	-29	173	-178.7	0	0	0	0	110.2	M60 S61 E65 V66 E67	M60-V63 HydrophobicContact CB-CB 4.35Å; M60-V63 HydrophobicContact CB-CG2 4.46Å; M60-V63 CarbonylContact O-C 3.52Å; M60-V63 VanDerWaalsContact O-CA 3.27Å; M60-V63 WeakPolarHBondContact O-CA 3.42Å; M60-V63 WeakPolarHBondContact O-CB 3.5Å; M60-V63 PolarHBondContact O-N 3.38Å; M60-V63 HydrophobicContact SD-CB 4.42Å; M60-V63 HydrophobicContact SD-CG2 3.84Å; S61-V63 VanDerWaalsContact C-N 3.29Å; V63-E65 PolarHBondContact O-N 3.07Å; V63-V66 CarbonylContact O-C 3.38Å; V63-V66 PolarHBondContact O-N 3.48Å; V63-E67 WeakPolarHBondContact O-CB 3.44Å; V63-E67 PolarHBondContact O-N 3.49Å
64	G	58.8	Low	68.1	Low	28 Å²	28	105 Å²	105	29%	0.289	54%	0.536	S	S	.	.	H	α-helix	trans	-58.5	-43.4	176.9	0	0	0	0	0	113.6	M60 S61 S62 E67 I68	M60-G64 PolarHBondContact O-N 3Å; S61-G64 PolarHBondContact O-N 3.36Å; S62-G64 VanDerWaalsContact C-N 3.3Å; G64-E67 PolarHBondContact O-N 3.05Å; G64-I68 WeakPolarHBondContact O-CD1 3.19Å; G64-I68 VanDerWaalsContact O-CG1 3.22Å; G64-I68 WeakPolarHBondContact O-CG1 3.49Å; G64-I68 PolarHBondContact O-N 3.12Å
65	E	62.4	Low	68.8	Low	145 Å²	145	105.4 Å²	105.4	68%	0.678	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-44.4	176	-67.4	177.3	178.2	0	0	111.5	V63 E67 I68 E69	V63-E65 PolarHBondContact O-N 3.07Å; E65-E67 PolarHBondContact O-N 3.03Å; E65-I68 PolarHBondContact O-N 2.72Å; E65-E69 PolarHBondContact O-N 2.83Å
66	V	62.9	Low	69.5	Low	74 Å²	74	103.3 Å²	103.3	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-67.7	-35.1	178.5	179	0	0	0	0	111.9	V63 E69 L70	V63-V66 CarbonylContact O-C 3.38Å; V63-V66 PolarHBondContact O-N 3.48Å; V66-E69 PolarHBondContact O-N 3.28Å; V66-L70 HydrophobicContact CG1-CD1 4.03Å; V66-L70 HydrophobicContact CG1-CG 4.35Å; V66-L70 WeakPolarHBondContact O-CB 3.17Å; V66-L70 VanDerWaalsContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.9Å
67	E	68.7	Low	69.8	Low	123 Å²	123	102.9 Å²	102.9	58%	0.575	53%	0.532	S	S	*	.	H	α-helix	trans	-68.1	-41	177.5	-174.8	166.9	-157.4	0	0	110.6	V63 G64 E65 L70 Q71	V63-E67 WeakPolarHBondContact O-CB 3.44Å; V63-E67 PolarHBondContact O-N 3.49Å; G64-E67 PolarHBondContact O-N 3.05Å; E65-E67 PolarHBondContact O-N 3.03Å; E67-L70 PolarHBondContact O-N 3.27Å; E67-Q71 WeakPolarHBondContact O-CB 3.27Å; E67-Q71 PolarHBondContact O-N 2.92Å
68	I	74.8	Confident	70	Confident	101 Å²	101	104.2 Å²	104.2	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-49.7	172	-67.4	164	0	0	0	110.1	G64 E65 L70 Q71 D72	G64-I68 WeakPolarHBondContact O-CD1 3.19Å; G64-I68 VanDerWaalsContact O-CG1 3.22Å; G64-I68 WeakPolarHBondContact O-CG1 3.49Å; G64-I68 PolarHBondContact O-N 3.12Å; E65-I68 PolarHBondContact O-N 2.72Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L70 PolarHBondContact O-N 3.24Å; I68-Q71 PolarHBondContact O-N 3.42Å; I68-Q71 VanDerWaalsContact O-N 3.11Å; I68-D72 PolarHBondContact O-N 3.04Å
69	E	73.8	Confident	70.6	Confident	136 Å²	136	105.4 Å²	105.4	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-59.2	-41.7	177.6	-74.6	-174.1	175.6	0	0	112.6	E65 V66 Q71 K73	E65-E69 PolarHBondContact O-N 2.83Å; V66-E69 PolarHBondContact O-N 3.28Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-K73 VanDerWaalsContact O-CB 3.31Å; E69-K73 WeakPolarHBondContact O-CB 3.45Å; E69-K73 PolarHBondContact O-N 3.25Å
70	L	79.4	Confident	71.2	Confident	112 Å²	112	103.9 Å²	103.9	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-69.1	-33	176.8	-74.7	174.8	0	0	0	112.2	V66 E67 I68 R74	V66-L70 HydrophobicContact CG1-CD1 4.03Å; V66-L70 HydrophobicContact CG1-CG 4.35Å; V66-L70 WeakPolarHBondContact O-CB 3.17Å; V66-L70 VanDerWaalsContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.9Å; E67-L70 PolarHBondContact O-N 3.27Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L70 PolarHBondContact O-N 3.24Å; L70-R74 VanDerWaalsContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CB 3.25Å; L70-R74 PolarHBondContact O-N 2.82Å
71	Q	76.6	Confident	71.8	Confident	117 Å²	117	103 Å²	103	55%	0.547	53%	0.525	S	S	.	.	H	α-helix	trans	-72.3	-41.7	177.5	-168.6	174.3	3.2	0	0	111.2	E67 I68 E69 R74 M75	E67-Q71 WeakPolarHBondContact O-CB 3.27Å; E67-Q71 PolarHBondContact O-N 2.92Å; I68-Q71 PolarHBondContact O-N 3.42Å; I68-Q71 VanDerWaalsContact O-N 3.11Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; Q71-R74 WeakPolarHBondContact O-CB 3.44Å; Q71-R74 PolarHBondContact O-N 3.39Å; Q71-M75 PolarHBondContact O-N 2.88Å
72	D	83.7	Confident	72	Confident	92 Å²	92	108.9 Å²	108.9	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-47.7	172.9	-79.5	-6.7	0	0	0	110.6	I68 R74 M75 E76	I68-D72 PolarHBondContact O-N 3.04Å; D72-R74 VanDerWaalsContact C-N 3.28Å; D72-R74 PolarHBondContact O-N 2.74Å; D72-M75 WeakPolarHBondContact O-CA 3.22Å; D72-M75 WeakPolarHBondContact O-CB 3.44Å; D72-M75 PolarHBondContact O-N 2.98Å; D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.29Å
73	K	81.3	Confident	72.1	Confident	132 Å²	132	109 Å²	109	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-35.8	176.1	-165.6	147	-173.3	165.9	0	112.6	E69 L77	E69-K73 VanDerWaalsContact O-CB 3.31Å; E69-K73 WeakPolarHBondContact O-CB 3.45Å; E69-K73 PolarHBondContact O-N 3.25Å; K73-L77 HydrophobicContact CG-CD1 4.5Å; K73-L77 WeakPolarHBondContact O-CB 3.3Å; K73-L77 VanDerWaalsContact O-CG 3.22Å; K73-L77 WeakPolarHBondContact O-CG 3.34Å; K73-L77 PolarHBondContact O-N 3.48Å
74	R	79.4	Confident	72.5	Confident	172 Å²	172	110.3 Å²	110.3	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-42.2	172.5	-179.3	-176.2	-64.1	-162.4	1.4	111.2	L70 Q71 D72 L77 Q78	L70-R74 VanDerWaalsContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CB 3.25Å; L70-R74 PolarHBondContact O-N 2.82Å; Q71-R74 WeakPolarHBondContact O-CB 3.44Å; Q71-R74 PolarHBondContact O-N 3.39Å; D72-R74 VanDerWaalsContact C-N 3.28Å; D72-R74 PolarHBondContact O-N 2.74Å; R74-L77 PolarHBondContact O-N 2.89Å; R74-Q78 WeakPolarHBondContact O-CB 3.49Å; R74-Q78 WeakPolarHBondContact O-CG 3.31Å; R74-Q78 PolarHBondContact O-N 3.48Å
75	M	81.3	Confident	72.6	Confident	118 Å²	118	113.5 Å²	113.5	58%	0.581	56%	0.557	S	S	*	*	H	α-helix	trans	-64.4	-43.6	178.8	-168	173.8	-63.4	0	0	111.3	Q71 D72 L77 Q78 S79	Q71-M75 PolarHBondContact O-N 2.88Å; D72-M75 WeakPolarHBondContact O-CA 3.22Å; D72-M75 WeakPolarHBondContact O-CB 3.44Å; D72-M75 PolarHBondContact O-N 2.98Å; M75-L77 PolarHBondContact O-N 3.36Å; M75-Q78 PolarHBondContact O-N 3.35Å; M75-S79 PolarHBondContact O-N 2.89Å
76	E	81.3	Confident	72.8	Confident	141 Å²	141	112.6 Å²	112.6	66%	0.659	55%	0.551	S	S	*	*	H	α-helix	trans	-58	-47.1	172.9	-72.1	-178	171.4	0	0	111.8	D72 Q78 S79 N80	D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.29Å; E76-Q78 PolarHBondContact O-N 3.03Å; E76-S79 PolarHBondContact O-N 3.03Å; E76-N80 PolarHBondContact O-N 3.31Å
77	L	76.3	Confident	72.7	Confident	100 Å²	100	112.6 Å²	112.6	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-65.9	-36.8	178.6	-71.1	173.3	0	0	0	112.5	K73 R74 M75 N80 L83	K73-L77 HydrophobicContact CG-CD1 4.5Å; K73-L77 WeakPolarHBondContact O-CB 3.3Å; K73-L77 VanDerWaalsContact O-CG 3.22Å; K73-L77 WeakPolarHBondContact O-CG 3.34Å; K73-L77 PolarHBondContact O-N 3.48Å; R74-L77 PolarHBondContact O-N 2.89Å; M75-L77 PolarHBondContact O-N 3.36Å; L77-N80 PolarHBondContact O-N 3.43Å; L77-L83 HydrophobicContact CD2-CD1 3.65Å
78	Q	73.8	Confident	72.6	Confident	140 Å²	140	113.4 Å²	113.4	65%	0.654	56%	0.556	S	S	*	*	H	α-helix	trans	-70.5	-31.6	177	-80.5	-173.8	-38	0	0	113.1	R74 M75 E76 N80	R74-Q78 WeakPolarHBondContact O-CB 3.49Å; R74-Q78 WeakPolarHBondContact O-CG 3.31Å; R74-Q78 PolarHBondContact O-N 3.48Å; M75-Q78 PolarHBondContact O-N 3.35Å; E76-Q78 PolarHBondContact O-N 3.03Å; Q78-N80 VanDerWaalsContact C-N 3.3Å
79	S	76.5	Confident	72.3	Confident	92 Å²	92	111.3 Å²	111.3	64%	0.643	55%	0.55	S	S	*	*	H	α-helix	trans	-78	-13.4	177.1	-172.3	0	0	0	0	113.4	M75 E76 E81	M75-S79 PolarHBondContact O-N 2.89Å; E76-S79 PolarHBondContact O-N 3.03Å; S79-E81 PolarHBondContact O-N 3.37Å; S79-E81 VanDerWaalsContact O-N 3.11Å
80	N	74.9	Confident	72.1	Confident	57 Å²	57	110.1 Å²	110.1	31%	0.305	54%	0.544	S	S	.	.			trans	-77.1	100.4	-176.1	-167.8	-27.1	0	0	0	111.4	E76 L77 Q78 E82 L83 K84	E76-N80 PolarHBondContact O-N 3.31Å; L77-N80 PolarHBondContact O-N 3.43Å; Q78-N80 VanDerWaalsContact C-N 3.3Å; N80-E82 VanDerWaalsContact C-N 3.27Å; N80-E82 PolarHBondContact O-N 2.98Å; N80-E82 WeakPolarHBondContact OD1-CB 3.35Å; N80-E82 PolarHBondContact OD1-N 3.31Å; N80-L83 HydrophobicContact CB-CB 4.29Å; N80-L83 HydrophobicContact CB-CD1 4.02Å; N80-L83 HydrophobicContact CB-CG 4.22Å; N80-L83 PolarHBondContact O-N 3.11Å; N80-L83 PolarHBondContact OD1-N 3.37Å; N80-K84 PolarHBondContact O-N 3.27Å
81	E	69.2	Low	71.3	Confident	111 Å²	111	111.6 Å²	111.6	52%	0.519	54%	0.543	S	S	.	.	H	α-helix	trans	-63.1	-29.7	177.8	-72.4	-63	150.9	0	0	112.7	S79 L83 K84 V85	S79-E81 PolarHBondContact O-N 3.37Å; S79-E81 VanDerWaalsContact O-N 3.11Å; E81-L83 PolarHBondContact O-N 3.28Å; E81-K84 PolarHBondContact O-N 2.91Å; E81-K84 IonicContact OE1-NZ 2.74Å; E81-K84 PolarHBondContact OE1-NZ 3.27Å; E81-K84 IonicContact OE2-NZ 3.25Å; E81-K84 PolarHBondContact OE2-NZ 2.85Å; E81-V85 WeakPolarHBondContact O-CG2 3.32Å; E81-V85 PolarHBondContact O-N 3.48Å
82	E	64.5	Low	70.8	Confident	158 Å²	158	112.1 Å²	112.1	74%	0.738	55%	0.546	S	S	*	.	H	α-helix	trans	-65.3	-40.2	177.8	-59.5	-176.7	174.1	0	0	111.3	N80 V85 K86	N80-E82 VanDerWaalsContact C-N 3.27Å; N80-E82 PolarHBondContact O-N 2.98Å; N80-E82 WeakPolarHBondContact OD1-CB 3.35Å; N80-E82 PolarHBondContact OD1-N 3.31Å; E82-V85 PolarHBondContact O-N 2.87Å; E82-K86 VanDerWaalsContact O-CB 3.24Å; E82-K86 WeakPolarHBondContact O-CB 3.31Å; E82-K86 PolarHBondContact O-N 3.04Å
83	L	59	Low	70.1	Confident	78 Å²	78	113.8 Å²	113.8	41%	0.408	55%	0.551	S	S	.	*	H	α-helix	trans	-68.3	-36.7	175.8	-71	177.3	0	0	0	111.7	L77 N80 E81 S87	L77-L83 HydrophobicContact CD2-CD1 3.65Å; N80-L83 HydrophobicContact CB-CB 4.29Å; N80-L83 HydrophobicContact CB-CD1 4.02Å; N80-L83 HydrophobicContact CB-CG 4.22Å; N80-L83 PolarHBondContact O-N 3.11Å; N80-L83 PolarHBondContact OD1-N 3.37Å; E81-L83 PolarHBondContact O-N 3.28Å; L83-S87 WeakPolarHBondContact O-CB 3.24Å; L83-S87 PolarHBondContact O-N 3.41Å
84	K	63.6	Low	69.6	Low	90 Å²	90	112.6 Å²	112.6	39%	0.391	55%	0.546	S	S	.	.	H	α-helix	trans	-64.9	-42.4	173.3	-79.4	168.6	65	-163.5	0	112.2	N80 E81 K88	N80-K84 PolarHBondContact O-N 3.27Å; E81-K84 PolarHBondContact O-N 2.91Å; E81-K84 IonicContact OE1-NZ 2.74Å; E81-K84 PolarHBondContact OE1-NZ 3.27Å; E81-K84 IonicContact OE2-NZ 3.25Å; E81-K84 PolarHBondContact OE2-NZ 2.85Å; K84-K88 WeakPolarHBondContact O-CB 3.31Å; K84-K88 VanDerWaalsContact O-CG 3.31Å; K84-K88 WeakPolarHBondContact O-CG 3.29Å; K84-K88 PolarHBondContact O-N 3.04Å
85	V	61.9	Low	68.7	Low	95 Å²	95	110.4 Å²	110.4	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-67.5	-44.9	177.8	172.6	0	0	0	0	110.6	E81 E82 K88 S89	E81-V85 WeakPolarHBondContact O-CG2 3.32Å; E81-V85 PolarHBondContact O-N 3.48Å; E82-V85 PolarHBondContact O-N 2.87Å; V85-K88 PolarHBondContact O-N 3.3Å; V85-S89 VanDerWaalsContact O-CB 3.31Å; V85-S89 WeakPolarHBondContact O-CB 3.31Å; V85-S89 PolarHBondContact O-N 3.49Å
86	K	65.3	Low	67.9	Low	126 Å²	126	110.9 Å²	110.9	55%	0.548	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-44.9	179	-166.6	174.5	-180	-177.1	0	111.7	E82 K88 S89 E90	E82-K86 VanDerWaalsContact O-CB 3.24Å; E82-K86 WeakPolarHBondContact O-CB 3.31Å; E82-K86 PolarHBondContact O-N 3.04Å; K86-K88 PolarHBondContact O-N 3.46Å; K86-S89 PolarHBondContact O-N 2.81Å; K86-E90 WeakPolarHBondContact CE-OE1 3.21Å; K86-E90 HydrophobicContact CG-CG 4.31Å; K86-E90 WeakPolarHBondContact CG-OE1 3.44Å; K86-E90 VanDerWaalsContact O-CB 3.31Å; K86-E90 WeakPolarHBondContact O-CB 3.24Å; K86-E90 VanDerWaalsContact O-CG 3.29Å; K86-E90 WeakPolarHBondContact O-CG 3.37Å; K86-E90 PolarHBondContact O-N 2.94Å
87	S	60.5	Low	66.9	Low	73 Å²	73	109.4 Å²	109.4	51%	0.51	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-42.7	176.6	177.1	0	0	0	0	112.4	L83 Y91	L83-S87 WeakPolarHBondContact O-CB 3.24Å; L83-S87 PolarHBondContact O-N 3.41Å; S87-Y91 VanDerWaalsContact O-CB 3.24Å; S87-Y91 WeakPolarHBondContact O-CB 3.12Å; S87-Y91 PolarHBondContact O-N 2.93Å
88	K	68.3	Low	66	Low	140 Å²	140	115.1 Å²	115.1	61%	0.609	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-44.7	174.9	-78	179.9	179.3	-178.6	0	112.1	K84 V85 K86 Q92	K84-K88 WeakPolarHBondContact O-CB 3.31Å; K84-K88 VanDerWaalsContact O-CG 3.31Å; K84-K88 WeakPolarHBondContact O-CG 3.29Å; K84-K88 PolarHBondContact O-N 3.04Å; V85-K88 PolarHBondContact O-N 3.3Å; K86-K88 PolarHBondContact O-N 3.46Å; K88-Q92 WeakPolarHBondContact O-CB 3.34Å; K88-Q92 WeakPolarHBondContact O-CG 3.24Å; K88-Q92 PolarHBondContact O-N 3.24Å
89	S	67.2	Low	65.3	Low	58 Å²	58	115.1 Å²	115.1	41%	0.406	55%	0.549	S	S	.	.	H	α-helix	trans	-64.8	-47.4	179.1	-177.5	0	0	0	0	111.5	V85 K86 Q92 Q93	V85-S89 VanDerWaalsContact O-CB 3.31Å; V85-S89 WeakPolarHBondContact O-CB 3.31Å; V85-S89 PolarHBondContact O-N 3.49Å; K86-S89 PolarHBondContact O-N 2.81Å; S89-Q92 PolarHBondContact O-N 3.42Å; S89-Q93 WeakPolarHBondContact O-CB 3.41Å; S89-Q93 VanDerWaalsContact O-CG 3.24Å; S89-Q93 WeakPolarHBondContact O-CG 2.97Å; S89-Q93 PolarHBondContact O-N 3.31Å
90	E	69.9	Low	64.3	Low	110 Å²	110	112.3 Å²	112.3	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-42	178.9	-74.1	176.4	-179.5	0	0	112	K86 Q93 F94	K86-E90 WeakPolarHBondContact CE-OE1 3.21Å; K86-E90 HydrophobicContact CG-CG 4.31Å; K86-E90 WeakPolarHBondContact CG-OE1 3.44Å; K86-E90 VanDerWaalsContact O-CB 3.31Å; K86-E90 WeakPolarHBondContact O-CB 3.24Å; K86-E90 VanDerWaalsContact O-CG 3.29Å; K86-E90 WeakPolarHBondContact O-CG 3.37Å; K86-E90 PolarHBondContact O-N 2.94Å; E90-Q93 PolarHBondContact O-N 2.79Å; E90-F94 VanDerWaalsContact O-CB 3.25Å; E90-F94 WeakPolarHBondContact O-CB 3.35Å; E90-F94 PolarHBondContact O-N 3.42Å
91	Y	63.5	Low	63.5	Low	143 Å²	143	118.6 Å²	118.6	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-62.8	-46	174.5	-160.4	-106.6	0	0	0	110.3	S87 Q93 F94 W95	S87-Y91 VanDerWaalsContact O-CB 3.24Å; S87-Y91 WeakPolarHBondContact O-CB 3.12Å; S87-Y91 PolarHBondContact O-N 2.93Å; Y91-Q93 PolarHBondContact O-N 3.27Å; Y91-F94 WeakPolarHBondContact O-CB 3.44Å; Y91-F94 PolarHBondContact O-N 2.95Å; Y91-W95 AromaticContact CD1-CD1 3.42Å; Y91-W95 VanDerWaalsContact CD1-CD1 3.42Å; Y91-W95 AromaticContact CD1-NE1 3.28Å; Y91-W95 VanDerWaalsContact CD1-NE1 3.28Å; Y91-W95 AromaticContact CD2-NE1 3.72Å; Y91-W95 AromaticContact CE1-CD1 3.48Å; Y91-W95 VanDerWaalsContact CE1-CD1 3.48Å; Y91-W95 AromaticContact CE1-CE2 3.89Å; Y91-W95 HydrophobicContact CE1-CZ2 4.48Å; Y91-W95 AromaticContact CE1-NE1 2.9Å; Y91-W95 HydrophobicContact CE2-CZ2 4.43Å; Y91-W95 AromaticContact CE2-NE1 3.38Å; Y91-W95 AromaticContact CG-CD1 3.89Å; Y91-W95 AromaticContact CG-NE1 3.69Å; Y91-W95 AromaticContact CZ-CD1 3.97Å; Y91-W95 AromaticContact CZ-CE2 3.71Å; Y91-W95 AromaticContact CZ-CZ2 3.92Å; Y91-W95 AromaticContact CZ-NE1 2.96Å; Y91-W95 PolarHBondContact O-N 3Å; Y91-W95 WeakPolarHBondContact OH-CZ2 3.35Å; Y91-W95 PolarHBondContact OH-NE1 3.22Å
92	Q	65.8	Low	63.1	Low	129 Å²	129	120.8 Å²	120.8	60%	0.603	56%	0.561	S	S	*	*	H	α-helix	trans	-59.6	-42.9	174.9	-76.3	177	-19.4	0	0	112.5	K88 S89 W95 L96	K88-Q92 WeakPolarHBondContact O-CB 3.34Å; K88-Q92 WeakPolarHBondContact O-CG 3.24Å; K88-Q92 PolarHBondContact O-N 3.24Å; S89-Q92 PolarHBondContact O-N 3.42Å; Q92-W95 PolarHBondContact O-N 3.03Å; Q92-L96 WeakPolarHBondContact O-CB 3.16Å; Q92-L96 WeakPolarHBondContact O-CD1 3.28Å; Q92-L96 WeakPolarHBondContact O-CG 3.36Å; Q92-L96 PolarHBondContact O-N 3.33Å
93	Q	69.5	Low	63	Low	126 Å²	126	120 Å²	120	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-64.6	-40.6	176.2	-72.5	-68	-41.7	0	0	111.8	S89 E90 Y91 L96 Q97	S89-Q93 WeakPolarHBondContact O-CB 3.41Å; S89-Q93 VanDerWaalsContact O-CG 3.24Å; S89-Q93 WeakPolarHBondContact O-CG 2.97Å; S89-Q93 PolarHBondContact O-N 3.31Å; E90-Q93 PolarHBondContact O-N 2.79Å; Y91-Q93 PolarHBondContact O-N 3.27Å; Q93-L96 PolarHBondContact O-N 3.48Å; Q93-Q97 PolarHBondContact O-N 3.18Å
94	F	70	Confident	62.7	Low	108 Å²	108	120.3 Å²	120.3	47%	0.474	57%	0.569	S	S	.	*	H	α-helix	trans	-59.3	-50.1	175.6	179.4	-105	0	0	0	111.2	E90 Y91 L96 Q97 M100	E90-F94 VanDerWaalsContact O-CB 3.25Å; E90-F94 WeakPolarHBondContact O-CB 3.35Å; E90-F94 PolarHBondContact O-N 3.42Å; Y91-F94 WeakPolarHBondContact O-CB 3.44Å; Y91-F94 PolarHBondContact O-N 2.95Å; F94-L96 VanDerWaalsContact C-N 3.28Å; F94-L96 PolarHBondContact O-N 3.18Å; F94-Q97 VanDerWaalsContact O-CB 3.28Å; F94-Q97 WeakPolarHBondContact O-CB 3.35Å; F94-Q97 PolarHBondContact O-N 2.81Å; F94-M100 HydrophobicContact CD1-CE 3.54Å; F94-M100 HydrophobicContact CD1-SD 3.57Å; F94-M100 VanDerWaalsContact CD1-SD 3.57Å; F94-M100 HydrophobicContact CD2-SD 4.17Å; F94-M100 HydrophobicContact CE1-CE 3.31Å; F94-M100 HydrophobicContact CE1-SD 3.35Å; F94-M100 WeakPolarHBondContact CE1-SD 3.25Å; F94-M100 HydrophobicContact CE2-SD 3.97Å; F94-M100 HydrophobicContact CG-CE 4.46Å; F94-M100 HydrophobicContact CG-SD 3.97Å; F94-M100 HydrophobicContact CZ-CE 4.08Å; F94-M100 HydrophobicContact CZ-SD 3.56Å; F94-M100 VanDerWaalsContact CZ-SD 3.56Å
95	W	61.1	Low	62.1	Low	126 Å²	126	121.3 Å²	121.3	48%	0.477	59%	0.585	S	S	.	*	H	α-helix	trans	-69.8	-20.1	176.5	-66.1	100.9	0	0	0	114.4	Y91 Q92 Q97 M100	Y91-W95 AromaticContact CD1-CD1 3.42Å; Y91-W95 VanDerWaalsContact CD1-CD1 3.42Å; Y91-W95 AromaticContact CD1-NE1 3.28Å; Y91-W95 VanDerWaalsContact CD1-NE1 3.28Å; Y91-W95 AromaticContact CD2-NE1 3.72Å; Y91-W95 AromaticContact CE1-CD1 3.48Å; Y91-W95 VanDerWaalsContact CE1-CD1 3.48Å; Y91-W95 AromaticContact CE1-CE2 3.89Å; Y91-W95 HydrophobicContact CE1-CZ2 4.48Å; Y91-W95 AromaticContact CE1-NE1 2.9Å; Y91-W95 HydrophobicContact CE2-CZ2 4.43Å; Y91-W95 AromaticContact CE2-NE1 3.38Å; Y91-W95 AromaticContact CG-CD1 3.89Å; Y91-W95 AromaticContact CG-NE1 3.69Å; Y91-W95 AromaticContact CZ-CD1 3.97Å; Y91-W95 AromaticContact CZ-CE2 3.71Å; Y91-W95 AromaticContact CZ-CZ2 3.92Å; Y91-W95 AromaticContact CZ-NE1 2.96Å; Y91-W95 PolarHBondContact O-N 3Å; Y91-W95 WeakPolarHBondContact OH-CZ2 3.35Å; Y91-W95 PolarHBondContact OH-NE1 3.22Å; Q92-W95 PolarHBondContact O-N 3.03Å; W95-Q97 VanDerWaalsContact C-N 3.33Å; W95-M100 HydrophobicContact CB-CE 4.34Å; W95-M100 HydrophobicContact CD2-CE 3.16Å; W95-M100 HydrophobicContact CE3-CE 2.96Å; W95-M100 HydrophobicContact CG-CE 3.85Å; W95-M100 HydrophobicContact CH2-CE 3.59Å; W95-M100 HydrophobicContact CZ2-CE 3.82Å; W95-M100 HydrophobicContact CZ3-CE 3.17Å
96	L	63.1	Low	61.8	Low	128 Å²	128	124.6 Å²	124.6	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-81.4	-12.5	174.5	-76.2	166.5	0	0	0	113	Q92 Q93 F94 R98	Q92-L96 WeakPolarHBondContact O-CB 3.16Å; Q92-L96 WeakPolarHBondContact O-CD1 3.28Å; Q92-L96 WeakPolarHBondContact O-CG 3.36Å; Q92-L96 PolarHBondContact O-N 3.33Å; Q93-L96 PolarHBondContact O-N 3.48Å; F94-L96 VanDerWaalsContact C-N 3.28Å; F94-L96 PolarHBondContact O-N 3.18Å; L96-R98 PolarHBondContact O-N 3.45Å
97	Q	60.8	Low	61	Low	110 Å²	110	130.2 Å²	130.2	51%	0.514	63%	0.633	S	S	.	*	S	Bend	trans	-64.7	124.2	177.1	-148.9	162.3	5.9	0	0	109.1	Q93 F94 W95 E99 M100	Q93-Q97 PolarHBondContact O-N 3.18Å; F94-Q97 VanDerWaalsContact O-CB 3.28Å; F94-Q97 WeakPolarHBondContact O-CB 3.35Å; F94-Q97 PolarHBondContact O-N 2.81Å; W95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-E99 PolarHBondContact O-N 3.34Å; Q97-M100 PolarHBondContact O-N 3.38Å
98	R	58	Low	61	Low	219 Å²	219	133.1 Å²	133.1	83%	0.826	64%	0.639	S	S	*	*	H	α-helix	trans	-51.1	-26.6	-170.1	-166.9	176.1	-178.6	178	0.2	113.7	L96	L96-R98 PolarHBondContact O-N 3.45Å
99	E	58.9	Low	60.6	Low	140 Å²	140	132.7 Å²	132.7	65%	0.654	64%	0.641	S	S	*	*	H	α-helix	trans	-69.5	-23.9	178.6	-73.6	173.3	156.5	0	0	114.2	Q97	Q97-E99 PolarHBondContact O-N 3.34Å
100	M	56.3	Low	60.2	Low	33 Å²	33	136.8 Å²	136.8	16%	0.163	65%	0.654	C	S	.	*	H	α-helix	trans	-84.6	-24.5	179.8	-79.1	167.4	65.3	0	0	114.2	F94 W95 Q97 E102 L103	F94-M100 HydrophobicContact CD1-CE 3.54Å; F94-M100 HydrophobicContact CD1-SD 3.57Å; F94-M100 VanDerWaalsContact CD1-SD 3.57Å; F94-M100 HydrophobicContact CD2-SD 4.17Å; F94-M100 HydrophobicContact CE1-CE 3.31Å; F94-M100 HydrophobicContact CE1-SD 3.35Å; F94-M100 WeakPolarHBondContact CE1-SD 3.25Å; F94-M100 HydrophobicContact CE2-SD 3.97Å; F94-M100 HydrophobicContact CG-CE 4.46Å; F94-M100 HydrophobicContact CG-SD 3.97Å; F94-M100 HydrophobicContact CZ-CE 4.08Å; F94-M100 HydrophobicContact CZ-SD 3.56Å; F94-M100 VanDerWaalsContact CZ-SD 3.56Å; W95-M100 HydrophobicContact CB-CE 4.34Å; W95-M100 HydrophobicContact CD2-CE 3.16Å; W95-M100 HydrophobicContact CE3-CE 2.96Å; W95-M100 HydrophobicContact CG-CE 3.85Å; W95-M100 HydrophobicContact CH2-CE 3.59Å; W95-M100 HydrophobicContact CZ2-CE 3.82Å; W95-M100 HydrophobicContact CZ3-CE 3.17Å; Q97-M100 PolarHBondContact O-N 3.38Å; M100-E102 PolarHBondContact O-N 2.94Å; M100-L103 PolarHBondContact O-N 2.91Å
101	K	56.3	Low	59.7	Low	189 Å²	189	138.4 Å²	138.4	82%	0.822	66%	0.662	S	S	*	*	H	α-helix	trans	-67	-24	172.3	-96.2	-175.8	175.9	-178.6	0	113
102	E	62	Low	59.4	Low	157 Å²	157	138.1 Å²	138.1	73%	0.734	67%	0.669	S	S	*	*	H	α-helix	trans	-87.3	-17.2	178.5	-62.6	-162.4	174.2	0	0	113.1	M100	M100-E102 PolarHBondContact O-N 2.94Å
103	L	62	Low	59	Low	141 Å²	141	138.7 Å²	138.7	74%	0.738	67%	0.673	S	S	*	*	S	Bend	trans	-94.8	-2.7	-178.4	-69.6	170	0	0	0	114.3	M100	M100-L103 PolarHBondContact O-N 2.91Å
104	C	51.9	Low	58.3	Low	85 Å²	85	139.6 Å²	139.6	57%	0.574	68%	0.679	S	S	*	*			trans	-127.8	85.5	175	-88.2	0	0	0	0	111.8	L106	C104-L106 PolarHBondContact O-N 3.29Å
105	P	51.5	Low	57.4	Low	112 Å²	112	142.1 Å²	142.1	73%	0.727	70%	0.695	S	S	*	*			trans	-81.8	4.1	178	-12.4	29.3	0	0	0	116
106	L	56	Low	57	Low	164 Å²	164	143.4 Å²	143.4	86%	0.859	71%	0.713	S	S	*	*			trans	-150.8	58.4	-165.2	-74.1	171.8	0	0	0	116.3	C104	C104-L106 PolarHBondContact O-N 3.29Å
107	L	47.7	Very low	56.5	Low	243 Å²	243	144.8 Å²	144.8	100%	1.272	72%	0.717	S	S	*	*			trans	-131.5	0	155.4	-96.7	162.2	0	0	0	108.6

Retrieved 107 of 107 residues in 28.2 ms (Link to these results)

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