A0A077YWA8_TRITR Loading...

BTB domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWA8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 aa.

						>A0A077YWA8_TRITR|A0A077YWA8
MTSYIYTDKCAIKSDIAEEVMQAAHEYEMPNLERIAGKELIRTLDEKNIVSRVKLAKQVDSAALSRGISNYIIKNQHVLSSDVWKKIETEDPSATAFILKAAVLHLFSL
					

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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	59.9	Low	79.8	Confident	195 Å²	195	103.8 Å²	103.8	96%	0.961	56%	0.558	S	S	*	*				0	-49.6	0	-160.2	171.3	-92.7	0	0	111.3	S3 Y4	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.84Å; M1-Y4 WeakPolarHBondContact O-CB 3.4Å; M1-Y4 PolarHBondContact O-N 2.77Å
2	T	72.1	Confident	80.9	Confident	108 Å²	108	96.6 Å²	96.6	66%	0.663	52%	0.519	S	S	*	.	H	α-helix	trans	-54.2	-39.6	175.9	45.5	0	0	0	0	114	Y4 I5 Y6	T2-Y4 VanDerWaalsContact C-N 3.27Å; T2-Y4 PolarHBondContact O-N 3.08Å; T2-I5 PolarHBondContact O-N 3.04Å; T2-Y6 WeakPolarHBondContact O-CD2 3.36Å
3	S	77.3	Confident	81.9	Confident	63 Å²	63	100.5 Å²	100.5	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-59.2	-36	175.8	63.9	0	0	0	0	113.2	M1 I5 Y6 T7	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.84Å; S3-I5 PolarHBondContact O-N 3.12Å; S3-Y6 PolarHBondContact O-N 3.08Å; S3-T7 WeakPolarHBondContact O-CB 2.96Å; S3-T7 WeakPolarHBondContact O-CG2 3.46Å; S3-T7 PolarHBondContact O-N 3.49Å; S3-T7 PolarHBondContact O-OG1 3.39Å
4	Y	79.2	Confident	82.7	Confident	21 Å²	21	97.1 Å²	97.1	8%	0.082	52%	0.517	C	S	.	.	H	α-helix	trans	-63.2	-44.5	-178.6	179	-94.2	0	0	0	110.7	M1 T2 Y6 T7 D8 K9 C10 M29 N31 L32 I35	M1-Y4 WeakPolarHBondContact O-CB 3.4Å; M1-Y4 PolarHBondContact O-N 2.77Å; T2-Y4 VanDerWaalsContact C-N 3.27Å; T2-Y4 PolarHBondContact O-N 3.08Å; Y4-Y6 PolarHBondContact O-N 3.3Å; Y4-Y6 VanDerWaalsContact O-N 3.08Å; Y4-T7 PolarHBondContact O-N 2.61Å; Y4-T7 VanDerWaalsContact O-N 3.08Å; Y4-D8 HydrophobicContact CE2-CB 4.4Å; Y4-D8 WeakPolarHBondContact O-CA 3.46Å; Y4-D8 PolarHBondContact O-N 3.4Å; Y4-D8 PolarHBondContact OH-OD1 2.88Å; Y4-K9 WeakPolarHBondContact CA-O 3.37Å; Y4-C10 HydrophobicContact CD2-CB 4.07Å; Y4-M29 HydrophobicContact CE1-CE 3.72Å; Y4-N31 WeakPolarHBondContact OH-CB 3.33Å; Y4-L32 HydrophobicContact CD2-CD1 4.21Å; Y4-L32 HydrophobicContact CE1-CB 4.42Å; Y4-L32 HydrophobicContact CE1-CD1 4.5Å; Y4-L32 HydrophobicContact CE2-CB 4.25Å; Y4-L32 HydrophobicContact CE2-CD1 3.86Å; Y4-L32 WeakPolarHBondContact OH-CB 3.38Å; Y4-L32 PolarHBondContact OH-N 3.25Å; Y4-L32 VanDerWaalsContact OH-N 3.12Å; Y4-I35 HydrophobicContact CD2-CD1 4.43Å; Y4-I35 HydrophobicContact CE2-CD1 3.91Å
5	I	77	Confident	83.5	Confident	119 Å²	119	97.9 Å²	97.9	61%	0.61	52%	0.522	S	S	*	.	H	α-helix	trans	-52.8	-37.8	179.7	-59.9	174.9	0	0	0	111.4	T2 S3	T2-I5 PolarHBondContact O-N 3.04Å; S3-I5 PolarHBondContact O-N 3.12Å
6	Y	80.3	Confident	84.3	Confident	198 Å²	198	96.7 Å²	96.7	78%	0.776	51%	0.514	S	S	*	.	H	α-helix	trans	-94.9	-15.1	-176.8	-61.5	-71.8	0	0	0	114.5	T2 S3 Y4	T2-Y6 WeakPolarHBondContact O-CD2 3.36Å; S3-Y6 PolarHBondContact O-N 3.08Å; Y4-Y6 PolarHBondContact O-N 3.3Å; Y4-Y6 VanDerWaalsContact O-N 3.08Å
7	T	85.9	Confident	85	Confident	73 Å²	73	91 Å²	91	45%	0.448	48%	0.484	S	S	.	.	H	α-helix	trans	-130.1	-11.4	-168.5	66.4	0	0	0	0	114.8	S3 Y4 K9	S3-T7 WeakPolarHBondContact O-CB 2.96Å; S3-T7 WeakPolarHBondContact O-CG2 3.46Å; S3-T7 PolarHBondContact O-N 3.49Å; S3-T7 PolarHBondContact O-OG1 3.39Å; Y4-T7 PolarHBondContact O-N 2.61Å; Y4-T7 VanDerWaalsContact O-N 3.08Å; T7-K9 WeakPolarHBondContact O-CG 3.46Å; T7-K9 PolarHBondContact O-N 3.16Å; T7-K9 VanDerWaalsContact O-N 3.16Å; T7-K9 WeakPolarHBondContact OG1-CB 3.18Å; T7-K9 PolarHBondContact OG1-N 3.46Å; T7-K9 VanDerWaalsContact OG1-N 3.17Å; T7-K9 PolarHBondContact OG1-O 3.17Å
8	D	83.5	Confident	85.7	Confident	69 Å²	69	89 Å²	89	37%	0.369	47%	0.471	S	S	.	.	S	Bend	trans	50.1	30.3	-165.1	-80.8	-23	0	0	0	113	Y4 N31 I35	Y4-D8 HydrophobicContact CE2-CB 4.4Å; Y4-D8 WeakPolarHBondContact O-CA 3.46Å; Y4-D8 PolarHBondContact O-N 3.4Å; Y4-D8 PolarHBondContact OH-OD1 2.88Å; D8-N31 HydrophobicContact CB-CB 4.41Å; D8-N31 PolarHBondContact OD2-ND2 2.92Å; D8-I35 WeakPolarHBondContact O-CD1 3.48Å
9	K	86.1	Confident	86.2	Confident	152 Å²	152	90.1 Å²	90.1	66%	0.661	47%	0.474	S	S	*	.			trans	-126.4	129.2	178.6	-65.2	171.4	-173	178.4	0	110.9	Y4 T7	Y4-K9 WeakPolarHBondContact CA-O 3.37Å; T7-K9 WeakPolarHBondContact O-CG 3.46Å; T7-K9 PolarHBondContact O-N 3.16Å; T7-K9 VanDerWaalsContact O-N 3.16Å; T7-K9 WeakPolarHBondContact OG1-CB 3.18Å; T7-K9 PolarHBondContact OG1-N 3.46Å; T7-K9 VanDerWaalsContact OG1-N 3.17Å; T7-K9 PolarHBondContact OG1-O 3.17Å
10	C	88	Confident	86.8	Confident	41 Å²	41	87.2 Å²	87.2	28%	0.277	46%	0.459	S	S	.	.			trans	-149.6	157.4	168.6	59.4	0	0	0	0	109.8	Y4	Y4-C10 HydrophobicContact CD2-CB 4.07Å
11	A	89.1	Confident	87.3	Confident	103 Å²	103	83 Å²	83	85%	0.851	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-94.7	125.1	161.4	0	0	0	0	0	107.3
12	I	92	Very high	89.1	Confident	17 Å²	17	76.6 Å²	76.6	9%	0.087	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-100.7	134.3	174	-63.5	174	0	0	0	106.6	I16 A17 V20 L32 I35 A36 E39	I12-I16 HydrophobicContact CG2-CG1 4.13Å; I12-A17 HydrophobicContact CG2-CB 3.8Å; I12-V20 HydrophobicContact CD1-CB 4.33Å; I12-V20 HydrophobicContact CD1-CG1 3.57Å; I12-V20 HydrophobicContact CG1-CG1 4.43Å; I12-V20 HydrophobicContact CG2-CB 4.47Å; I12-V20 HydrophobicContact CG2-CG2 4.43Å; I12-L32 HydrophobicContact CD1-CD1 3.97Å; I12-I35 HydrophobicContact CD1-CB 4.11Å; I12-I35 HydrophobicContact CD1-CG2 3.68Å; I12-I35 HydrophobicContact CG1-CG2 3.99Å; I12-A36 HydrophobicContact CD1-CB 3.77Å; I12-E39 WeakPolarHBondContact O-CG 3.49Å
13	K	94	Very high	90.2	Very high	147 Å²	147	73.2 Å²	73.2	64%	0.639	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-80.6	146.7	173	-63.2	-178.9	177.2	-180	0	109.4	D15 I16 A17	K13-D15 WeakPolarHBondContact CB-OD1 3.41Å; K13-D15 PolarHBondContact O-N 3.28Å; K13-I16 HydrophobicContact CB-CG1 4.24Å; K13-I16 WeakPolarHBondContact O-CG1 3.29Å; K13-I16 PolarHBondContact O-N 3.2Å; K13-A17 PolarHBondContact O-N 3.24Å
14	S	93.9	Very high	91.1	Very high	54 Å²	54	70.2 Å²	70.2	38%	0.378	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.2	-176.4	59	0	0	0	0	114.7	I16 E39	S14-I16 VanDerWaalsContact C-N 3.33Å; S14-E39 WeakPolarHBondContact CB-OE1 3.31Å; S14-E39 PolarHBondContact N-OE1 3.08Å
15	D	94.4	Very high	92	Very high	109 Å²	109	73 Å²	73	58%	0.583	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.2	-179.4	60.7	-28.8	0	0	0	113.7	K13	K13-D15 WeakPolarHBondContact CB-OD1 3.41Å; K13-D15 PolarHBondContact O-N 3.28Å
16	I	95.6	Very high	92.9	Very high	78 Å²	78	74.1 Å²	74.1	40%	0.4	38%	0.383	S	S	.	.	S	Bend	trans	-111.4	2.2	178.2	63.1	167.1	0	0	0	113.1	I12 K13 S14 E18 E19 V20	I12-I16 HydrophobicContact CG2-CG1 4.13Å; K13-I16 HydrophobicContact CB-CG1 4.24Å; K13-I16 WeakPolarHBondContact O-CG1 3.29Å; K13-I16 PolarHBondContact O-N 3.2Å; S14-I16 VanDerWaalsContact C-N 3.33Å; I16-E18 VanDerWaalsContact C-N 3.25Å; I16-E18 PolarHBondContact O-N 2.77Å; I16-E19 VanDerWaalsContact C-OE2 3.26Å; I16-E19 VanDerWaalsContact CA-OE2 3.25Å; I16-E19 WeakPolarHBondContact CA-OE2 3.42Å; I16-E19 PolarHBondContact O-N 2.99Å; I16-V20 HydrophobicContact CD1-CG2 4.28Å; I16-V20 HydrophobicContact CG1-CG2 4.39Å; I16-V20 WeakPolarHBondContact O-CB 3.34Å; I16-V20 WeakPolarHBondContact O-CG2 3.45Å; I16-V20 PolarHBondContact O-N 2.99Å
17	A	96.8	Very high	93.7	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-68.6	-27.1	-169.8	0	0	0	0	0	112.6	I12 K13 M21 E39 L40	I12-A17 HydrophobicContact CG2-CB 3.8Å; K13-A17 PolarHBondContact O-N 3.24Å; A17-M21 WeakPolarHBondContact O-CB 3.47Å; A17-M21 PolarHBondContact O-N 3.12Å; A17-E39 HydrophobicContact CB-CB 4.2Å; A17-E39 HydrophobicContact CB-CG 3.99Å; A17-L40 HydrophobicContact CB-CD2 3.69Å; A17-L40 HydrophobicContact CB-CG 3.82Å
18	E	97.1	Very high	94.1	Very high	55 Å²	55	77 Å²	77	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-71.9	-50	177.9	175.4	161.3	-175.6	0	0	110.9	I16 V20 M21 Q22 L40 R52 L55	I16-E18 VanDerWaalsContact C-N 3.25Å; I16-E18 PolarHBondContact O-N 2.77Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.19Å; E18-M21 PolarHBondContact O-N 3.32Å; E18-M21 VanDerWaalsContact O-N 3.13Å; E18-Q22 WeakPolarHBondContact O-CG 3.37Å; E18-Q22 PolarHBondContact O-N 3.3Å; E18-L40 HydrophobicContact CB-CD2 4.3Å; E18-R52 IonicContact OE2-CZ 2.66Å; E18-R52 IonicContact OE2-NH1 3.95Å; E18-R52 PolarHBondContact OE2-NH1 3.25Å; E18-L55 HydrophobicContact CB-CD2 4.36Å; E18-L55 HydrophobicContact CG-CD1 4.3Å; E18-L55 HydrophobicContact CG-CD2 3.96Å
19	E	96.7	Very high	94.6	Very high	110 Å²	110	77 Å²	77	51%	0.514	39%	0.392	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.9	-61.5	90	159.4	0	0	111.1	I16 M21 Q22 A23	I16-E19 VanDerWaalsContact C-OE2 3.26Å; I16-E19 VanDerWaalsContact CA-OE2 3.25Å; I16-E19 WeakPolarHBondContact CA-OE2 3.42Å; I16-E19 PolarHBondContact O-N 2.99Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-M21 PolarHBondContact O-N 2.95Å; E19-Q22 PolarHBondContact O-N 3.25Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.16Å
20	V	96.5	Very high	94.9	Very high	31 Å²	31	74.3 Å²	74.3	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-37	176.7	177.6	0	0	0	0	111.3	I12 I16 E18 A24 L32 A36	I12-V20 HydrophobicContact CD1-CB 4.33Å; I12-V20 HydrophobicContact CD1-CG1 3.57Å; I12-V20 HydrophobicContact CG1-CG1 4.43Å; I12-V20 HydrophobicContact CG2-CB 4.47Å; I12-V20 HydrophobicContact CG2-CG2 4.43Å; I16-V20 HydrophobicContact CD1-CG2 4.28Å; I16-V20 HydrophobicContact CG1-CG2 4.39Å; I16-V20 WeakPolarHBondContact O-CB 3.34Å; I16-V20 WeakPolarHBondContact O-CG2 3.45Å; I16-V20 PolarHBondContact O-N 2.99Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.19Å; V20-A24 WeakPolarHBondContact O-CB 3.32Å; V20-A24 PolarHBondContact O-N 3.13Å; V20-L32 HydrophobicContact CG1-CD1 3.95Å; V20-L32 HydrophobicContact CG1-CD2 3.98Å; V20-L32 HydrophobicContact CG1-CG 3.76Å; V20-A36 HydrophobicContact CB-CB 4.41Å; V20-A36 HydrophobicContact CG1-CB 4.18Å
21	M	97.6	Very high	95.1	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-66.9	-44.6	176.5	-167.4	178.3	-168.7	0	0	111.6	A17 E18 E19 A24 H25 E33 A36 L40 L55 V59 S61 L64	A17-M21 WeakPolarHBondContact O-CB 3.47Å; A17-M21 PolarHBondContact O-N 3.12Å; E18-M21 PolarHBondContact O-N 3.32Å; E18-M21 VanDerWaalsContact O-N 3.13Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-M21 PolarHBondContact O-N 2.95Å; M21-A24 PolarHBondContact O-N 3Å; M21-H25 WeakPolarHBondContact O-CB 3.33Å; M21-H25 PolarHBondContact O-N 3.05Å; M21-E33 HydrophobicContact CE-CG 3.9Å; M21-E33 HydrophobicContact CG-CG 3.75Å; M21-A36 HydrophobicContact CB-CB 3.77Å; M21-A36 HydrophobicContact CG-CB 4.33Å; M21-L40 HydrophobicContact CB-CD1 3.96Å; M21-L40 HydrophobicContact CG-CD1 4.29Å; M21-L40 HydrophobicContact SD-CD1 3.41Å; M21-L40 WeakPolarHBondContact SD-CD1 3.32Å; M21-L55 HydrophobicContact SD-CD2 3.92Å; M21-L55 HydrophobicContact SD-CG 4.29Å; M21-V59 HydrophobicContact CE-CG2 3.78Å; M21-V59 HydrophobicContact SD-CG2 4.2Å; M21-S61 VanDerWaalsContact CE-CB 3.42Å; M21-S61 WeakPolarHBondContact CE-OG 3.26Å; M21-L64 HydrophobicContact CE-CB 4.02Å; M21-L64 HydrophobicContact CE-CD2 3.94Å; M21-L64 HydrophobicContact SD-CD2 3.7Å
22	Q	97.5	Very high	95.3	Very high	61 Å²	61	71.7 Å²	71.7	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-48.4	177.4	-72	178.4	-19.9	0	0	111.4	E18 E19 A24 H25 E26 L55	E18-Q22 WeakPolarHBondContact O-CG 3.37Å; E18-Q22 PolarHBondContact O-N 3.3Å; E19-Q22 PolarHBondContact O-N 3.25Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; Q22-A24 PolarHBondContact O-N 3.03Å; Q22-H25 WeakPolarHBondContact O-CB 3.46Å; Q22-H25 PolarHBondContact O-N 3.34Å; Q22-E26 WeakPolarHBondContact O-CB 3.41Å; Q22-E26 PolarHBondContact O-N 2.78Å; Q22-L55 HydrophobicContact CG-CD1 3.56Å
23	A	96.6	Very high	95.5	Very high	37 Å²	37	72.5 Å²	72.5	31%	0.306	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.2	0	0	0	0	0	111.1	E19 H25 E26 Y27	E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.16Å; A23-H25 VanDerWaalsContact C-N 3.26Å; A23-H25 PolarHBondContact O-N 3.09Å; A23-E26 PolarHBondContact O-N 3.13Å; A23-Y27 HydrophobicContact CB-CD2 4.29Å; A23-Y27 HydrophobicContact CB-CE2 4.46Å; A23-Y27 WeakPolarHBondContact O-CB 3.46Å; A23-Y27 WeakPolarHBondContact O-CD2 3.48Å; A23-Y27 PolarHBondContact O-N 3.29Å
24	A	95.5	Very high	95.5	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-36.2	178.2	0	0	0	0	0	112.5	V20 M21 Q22 E28 M29 L32 E33	V20-A24 WeakPolarHBondContact O-CB 3.32Å; V20-A24 PolarHBondContact O-N 3.13Å; M21-A24 PolarHBondContact O-N 3Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; Q22-A24 PolarHBondContact O-N 3.03Å; A24-E28 PolarHBondContact O-N 3.47Å; A24-M29 HydrophobicContact CB-CB 4.19Å; A24-M29 PolarHBondContact O-N 3.49Å; A24-L32 HydrophobicContact CB-CB 3.84Å; A24-L32 HydrophobicContact CB-CD2 4.1Å; A24-L32 HydrophobicContact CB-CG 3.95Å; A24-E33 HydrophobicContact CB-CB 3.78Å; A24-E33 HydrophobicContact CB-CG 4.46Å; A24-E33 VanDerWaalsContact CB-N 3.35Å
25	H	97.1	Very high	95.6	Very high	79 Å²	79	69.8 Å²	69.8	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-48.9	174.1	-176.3	75.4	0	0	0	111.4	M21 Q22 A23 Y27 E28 E33 V59	M21-H25 WeakPolarHBondContact O-CB 3.33Å; M21-H25 PolarHBondContact O-N 3.05Å; Q22-H25 WeakPolarHBondContact O-CB 3.46Å; Q22-H25 PolarHBondContact O-N 3.34Å; A23-H25 VanDerWaalsContact C-N 3.26Å; A23-H25 PolarHBondContact O-N 3.09Å; H25-Y27 VanDerWaalsContact C-N 3.34Å; H25-Y27 PolarHBondContact O-N 3.48Å; H25-E28 PolarHBondContact O-N 2.96Å; H25-E33 IonicContact ND1-OE2 3.48Å; H25-E33 PolarHBondContact ND1-OE2 3.28Å; H25-V59 HydrophobicContact CB-CB 4.15Å; H25-V59 HydrophobicContact CB-CG1 3.87Å; H25-V59 PolarHBondContact CE1-O 3.45Å; H25-V59 PolarHBondContact ND1-O 3.38Å
26	E	97.2	Very high	95.7	Very high	143 Å²	143	64.6 Å²	64.6	67%	0.668	31%	0.313	S	S	*	.	H	α-helix	trans	-61.2	-39.3	180	-175.7	178.2	-177.2	0	0	112.8	Q22 A23 E28	Q22-E26 WeakPolarHBondContact O-CB 3.41Å; Q22-E26 PolarHBondContact O-N 2.78Å; A23-E26 PolarHBondContact O-N 3.13Å; E26-E28 VanDerWaalsContact C-N 3.34Å
27	Y	96.2	Very high	95.8	Very high	158 Å²	158	61.1 Å²	61.1	62%	0.62	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	13.1	179.7	-66.7	-69.7	0	0	0	113.7	A23 H25 M29	A23-Y27 HydrophobicContact CB-CD2 4.29Å; A23-Y27 HydrophobicContact CB-CE2 4.46Å; A23-Y27 WeakPolarHBondContact O-CB 3.46Å; A23-Y27 WeakPolarHBondContact O-CD2 3.48Å; A23-Y27 PolarHBondContact O-N 3.29Å; H25-Y27 VanDerWaalsContact C-N 3.34Å; H25-Y27 PolarHBondContact O-N 3.48Å; Y27-M29 VanDerWaalsContact C-N 3.31Å; Y27-M29 WeakPolarHBondContact O-CG 3.13Å; Y27-M29 PolarHBondContact O-N 3.36Å
28	E	94.9	Very high	95.8	Very high	173 Å²	173	67.1 Å²	67.1	81%	0.808	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	46	178.3	-57.9	-175.8	166.6	0	0	113.3	A24 H25 E26 P30	A24-E28 PolarHBondContact O-N 3.47Å; H25-E28 PolarHBondContact O-N 2.96Å; E26-E28 VanDerWaalsContact C-N 3.34Å; E28-P30 WeakPolarHBondContact O-CD 3.1Å
29	M	93.2	Very high	95.8	Very high	70 Å²	70	65.9 Å²	65.9	35%	0.345	32%	0.317	S	S	.	.			trans	-104.7	73.1	-179.6	-57.8	-175.4	74.9	0	0	111.2	Y4 A24 Y27 N31 L32 E33	Y4-M29 HydrophobicContact CE1-CE 3.72Å; A24-M29 HydrophobicContact CB-CB 4.19Å; A24-M29 PolarHBondContact O-N 3.49Å; Y27-M29 VanDerWaalsContact C-N 3.31Å; Y27-M29 WeakPolarHBondContact O-CG 3.13Å; Y27-M29 PolarHBondContact O-N 3.36Å; M29-N31 VanDerWaalsContact C-N 3.26Å; M29-N31 PolarHBondContact O-N 3.48Å; M29-N31 VanDerWaalsContact O-N 3.12Å; M29-L32 HydrophobicContact CB-CB 3.99Å; M29-L32 HydrophobicContact CE-CD2 4.1Å; M29-L32 PolarHBondContact O-N 3.24Å; M29-L32 HydrophobicContact SD-CD2 4.07Å; M29-E33 PolarHBondContact O-N 3.34Å
30	P	92.6	Very high	95.8	Very high	94 Å²	94	60.7 Å²	60.7	61%	0.61	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-31.5	-168.9	24.4	-36.3	0	0	0	113.6	E28 R34	E28-P30 WeakPolarHBondContact O-CD 3.1Å; P30-R34 VanDerWaalsContact O-CB 3.29Å; P30-R34 WeakPolarHBondContact O-CB 3.41Å; P30-R34 PolarHBondContact O-N 3.33Å
31	N	92.6	Very high	95.9	Very high	63 Å²	63	61.9 Å²	61.9	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-41.8	176.2	-79.8	-25	0	0	0	111.9	Y4 D8 M29 I35	Y4-N31 WeakPolarHBondContact OH-CB 3.33Å; D8-N31 HydrophobicContact CB-CB 4.41Å; D8-N31 PolarHBondContact OD2-ND2 2.92Å; M29-N31 VanDerWaalsContact C-N 3.26Å; M29-N31 PolarHBondContact O-N 3.48Å; M29-N31 VanDerWaalsContact O-N 3.12Å; N31-I35 WeakPolarHBondContact O-CD1 3.12Å; N31-I35 VanDerWaalsContact O-CG1 3.26Å; N31-I35 WeakPolarHBondContact O-CG1 3.22Å; N31-I35 PolarHBondContact O-N 3.13Å; N31-I35 VanDerWaalsContact O-N 3.13Å
32	L	94.2	Very high	95.8	Very high	26 Å²	26	70 Å²	70	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-70.7	-42.4	178.1	-169.9	60.8	0	0	0	110.6	Y4 I12 V20 A24 M29 R34 I35 A36	Y4-L32 HydrophobicContact CD2-CD1 4.21Å; Y4-L32 HydrophobicContact CE1-CB 4.42Å; Y4-L32 HydrophobicContact CE1-CD1 4.5Å; Y4-L32 HydrophobicContact CE2-CB 4.25Å; Y4-L32 HydrophobicContact CE2-CD1 3.86Å; Y4-L32 WeakPolarHBondContact OH-CB 3.38Å; Y4-L32 PolarHBondContact OH-N 3.25Å; Y4-L32 VanDerWaalsContact OH-N 3.12Å; I12-L32 HydrophobicContact CD1-CD1 3.97Å; V20-L32 HydrophobicContact CG1-CD1 3.95Å; V20-L32 HydrophobicContact CG1-CD2 3.98Å; V20-L32 HydrophobicContact CG1-CG 3.76Å; A24-L32 HydrophobicContact CB-CB 3.84Å; A24-L32 HydrophobicContact CB-CD2 4.1Å; A24-L32 HydrophobicContact CB-CG 3.95Å; M29-L32 HydrophobicContact CB-CB 3.99Å; M29-L32 HydrophobicContact CE-CD2 4.1Å; M29-L32 PolarHBondContact O-N 3.24Å; M29-L32 HydrophobicContact SD-CD2 4.07Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.9Å; L32-I35 PolarHBondContact O-N 3.34Å; L32-I35 VanDerWaalsContact O-N 3.1Å; L32-A36 WeakPolarHBondContact O-CB 3.41Å; L32-A36 PolarHBondContact O-N 3.47Å
33	E	95.6	Very high	95.8	Very high	34 Å²	34	68.5 Å²	68.5	16%	0.159	32%	0.323	C	S	.	.	H	α-helix	trans	-58.1	-43.4	176.8	-165.2	-165.4	131	0	0	110.4	M21 A24 H25 M29 I35 A36 G37 S61	M21-E33 HydrophobicContact CE-CG 3.9Å; M21-E33 HydrophobicContact CG-CG 3.75Å; A24-E33 HydrophobicContact CB-CB 3.78Å; A24-E33 HydrophobicContact CB-CG 4.46Å; A24-E33 VanDerWaalsContact CB-N 3.35Å; H25-E33 IonicContact ND1-OE2 3.48Å; H25-E33 PolarHBondContact ND1-OE2 3.28Å; M29-E33 PolarHBondContact O-N 3.34Å; E33-I35 PolarHBondContact O-N 3.05Å; E33-A36 PolarHBondContact O-N 2.86Å; E33-G37 PolarHBondContact O-N 3.02Å; E33-S61 PolarHBondContact OE1-OG 2.93Å
34	R	94.5	Very high	95.8	Very high	118 Å²	118	67.7 Å²	67.7	45%	0.445	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-39.5	176	-176.1	-176.5	62.4	93.4	11.1	113	P30 L32 K38	P30-R34 VanDerWaalsContact O-CB 3.29Å; P30-R34 WeakPolarHBondContact O-CB 3.41Å; P30-R34 PolarHBondContact O-N 3.33Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.9Å; R34-K38 WeakPolarHBondContact O-CG 3.23Å; R34-K38 PolarHBondContact O-N 3.14Å
35	I	94.8	Very high	95.8	Very high	26 Å²	26	70.7 Å²	70.7	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-43.8	177.8	-65.7	163.8	0	0	0	109.6	Y4 D8 I12 N31 L32 E33 K38 E39	Y4-I35 HydrophobicContact CD2-CD1 4.43Å; Y4-I35 HydrophobicContact CE2-CD1 3.91Å; D8-I35 WeakPolarHBondContact O-CD1 3.48Å; I12-I35 HydrophobicContact CD1-CB 4.11Å; I12-I35 HydrophobicContact CD1-CG2 3.68Å; I12-I35 HydrophobicContact CG1-CG2 3.99Å; N31-I35 WeakPolarHBondContact O-CD1 3.12Å; N31-I35 VanDerWaalsContact O-CG1 3.26Å; N31-I35 WeakPolarHBondContact O-CG1 3.22Å; N31-I35 PolarHBondContact O-N 3.13Å; N31-I35 VanDerWaalsContact O-N 3.13Å; L32-I35 PolarHBondContact O-N 3.34Å; L32-I35 VanDerWaalsContact O-N 3.1Å; E33-I35 PolarHBondContact O-N 3.05Å; I35-K38 PolarHBondContact O-N 2.91Å; I35-E39 PolarHBondContact O-N 2.9Å
36	A	96.6	Very high	95.6	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-48	176.8	0	0	0	0	0	111.1	I12 V20 M21 L32 E33 K38 E39 L40	I12-A36 HydrophobicContact CD1-CB 3.77Å; V20-A36 HydrophobicContact CB-CB 4.41Å; V20-A36 HydrophobicContact CG1-CB 4.18Å; M21-A36 HydrophobicContact CB-CB 3.77Å; M21-A36 HydrophobicContact CG-CB 4.33Å; L32-A36 WeakPolarHBondContact O-CB 3.41Å; L32-A36 PolarHBondContact O-N 3.47Å; E33-A36 PolarHBondContact O-N 2.86Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 PolarHBondContact O-N 3.09Å; A36-E39 WeakPolarHBondContact O-CB 3.38Å; A36-E39 PolarHBondContact O-N 3.1Å; A36-L40 VanDerWaalsContact O-CG 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.48Å; A36-L40 PolarHBondContact O-N 3.35Å
37	G	97.4	Very high	95.3	Very high	6 Å²	6	73.5 Å²	73.5	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-56	-40.3	175.9	0	0	0	0	0	113	E33 E39 L40 I41	E33-G37 PolarHBondContact O-N 3.02Å; G37-E39 PolarHBondContact O-N 3.13Å; G37-L40 PolarHBondContact O-N 3.26Å; G37-I41 WeakPolarHBondContact O-CB 3.2Å; G37-I41 WeakPolarHBondContact O-CD1 3.18Å; G37-I41 WeakPolarHBondContact O-CG1 3.44Å; G37-I41 PolarHBondContact O-N 3.11Å
38	K	96.7	Very high	95.2	Very high	126 Å²	126	67.1 Å²	67.1	55%	0.548	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-43	174.7	-78.8	179.9	175.8	-169.9	0	112.6	R34 I35 A36 I41 R42	R34-K38 WeakPolarHBondContact O-CG 3.23Å; R34-K38 PolarHBondContact O-N 3.14Å; I35-K38 PolarHBondContact O-N 2.91Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 PolarHBondContact O-N 3.09Å; K38-I41 PolarHBondContact O-N 3.28Å; K38-R42 VanDerWaalsContact O-CB 3.29Å; K38-R42 WeakPolarHBondContact O-CB 3.49Å; K38-R42 PolarHBondContact O-N 3.34Å
39	E	97.2	Very high	95.2	Very high	29 Å²	29	58.9 Å²	58.9	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-40.8	178.7	-177.4	60.3	-166.4	0	0	111.4	I12 S14 A17 I35 A36 G37 R42 T43	I12-E39 WeakPolarHBondContact O-CG 3.49Å; S14-E39 WeakPolarHBondContact CB-OE1 3.31Å; S14-E39 PolarHBondContact N-OE1 3.08Å; A17-E39 HydrophobicContact CB-CB 4.2Å; A17-E39 HydrophobicContact CB-CG 3.99Å; I35-E39 PolarHBondContact O-N 2.9Å; A36-E39 WeakPolarHBondContact O-CB 3.38Å; A36-E39 PolarHBondContact O-N 3.1Å; G37-E39 PolarHBondContact O-N 3.13Å; E39-R42 PolarHBondContact O-N 2.92Å; E39-R42 IonicContact OE1-CZ 3.81Å; E39-R42 IonicContact OE1-NE 3.54Å; E39-R42 IonicContact OE1-NH2 3.56Å; E39-R42 PolarHBondContact OE1-NH2 3.22Å; E39-R42 IonicContact OE2-CZ 2.66Å; E39-R42 IonicContact OE2-NE 2.81Å; E39-R42 PolarHBondContact OE2-NE 3.04Å; E39-R42 IonicContact OE2-NH2 3.49Å; E39-R42 PolarHBondContact OE2-NH2 3.38Å; E39-T43 PolarHBondContact O-N 3.39Å; E39-T43 VanDerWaalsContact O-N 3.16Å; E39-T43 PolarHBondContact O-OG1 2.92Å
40	L	98	Very high	95.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-45.3	174.8	-67.6	166.9	0	0	0	111.6	A17 E18 M21 A36 G37 T43 L44 R52 L55 L64	A17-L40 HydrophobicContact CB-CD2 3.69Å; A17-L40 HydrophobicContact CB-CG 3.82Å; E18-L40 HydrophobicContact CB-CD2 4.3Å; M21-L40 HydrophobicContact CB-CD1 3.96Å; M21-L40 HydrophobicContact CG-CD1 4.29Å; M21-L40 HydrophobicContact SD-CD1 3.41Å; M21-L40 WeakPolarHBondContact SD-CD1 3.32Å; A36-L40 VanDerWaalsContact O-CG 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.48Å; A36-L40 PolarHBondContact O-N 3.35Å; G37-L40 PolarHBondContact O-N 3.26Å; L40-T43 PolarHBondContact O-N 3.02Å; L40-T43 PolarHBondContact O-OG1 3.49Å; L40-L44 PolarHBondContact O-N 2.8Å; L40-R52 VanDerWaalsContact CD2-NE 3.28Å; L40-L55 HydrophobicContact CD1-CD2 3.64Å; L40-L64 HydrophobicContact CB-CD1 4.19Å
41	I	97.7	Very high	95.3	Very high	56 Å²	56	54.2 Å²	54.2	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-43	177	-66.6	164.5	0	0	0	111.1	G37 K38 T43 L44 L64	G37-I41 WeakPolarHBondContact O-CB 3.2Å; G37-I41 WeakPolarHBondContact O-CD1 3.18Å; G37-I41 WeakPolarHBondContact O-CG1 3.44Å; G37-I41 PolarHBondContact O-N 3.11Å; K38-I41 PolarHBondContact O-N 3.28Å; I41-T43 PolarHBondContact O-N 3.44Å; I41-L44 HydrophobicContact CB-CD1 4.41Å; I41-L44 HydrophobicContact CG2-CD1 4.29Å; I41-L44 PolarHBondContact O-N 3.37Å; I41-L64 HydrophobicContact CD1-CD1 4.44Å; I41-L64 HydrophobicContact CG1-CD1 3.77Å
42	R	96.6	Very high	95.5	Very high	170 Å²	170	52.1 Å²	52.1	64%	0.642	24%	0.241	S	C	*	.	H	α-helix	trans	-60	-28.4	-179.8	-170.3	-170.5	70.5	73.5	-2.8	112.3	K38 E39	K38-R42 VanDerWaalsContact O-CB 3.29Å; K38-R42 WeakPolarHBondContact O-CB 3.49Å; K38-R42 PolarHBondContact O-N 3.34Å; E39-R42 PolarHBondContact O-N 2.92Å; E39-R42 IonicContact OE1-CZ 3.81Å; E39-R42 IonicContact OE1-NE 3.54Å; E39-R42 IonicContact OE1-NH2 3.56Å; E39-R42 PolarHBondContact OE1-NH2 3.22Å; E39-R42 IonicContact OE2-CZ 2.66Å; E39-R42 IonicContact OE2-NE 2.81Å; E39-R42 PolarHBondContact OE2-NE 3.04Å; E39-R42 IonicContact OE2-NH2 3.49Å; E39-R42 PolarHBondContact OE2-NH2 3.38Å
43	T	96.8	Very high	95.6	Very high	30 Å²	30	50.9 Å²	50.9	18%	0.184	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	13	-175.7	55.9	0	0	0	0	113.6	E39 L40 I41 D45 N48	E39-T43 PolarHBondContact O-N 3.39Å; E39-T43 VanDerWaalsContact O-N 3.16Å; E39-T43 PolarHBondContact O-OG1 2.92Å; L40-T43 PolarHBondContact O-N 3.02Å; L40-T43 PolarHBondContact O-OG1 3.49Å; I41-T43 PolarHBondContact O-N 3.44Å; T43-D45 PolarHBondContact O-N 2.87Å; T43-N48 PolarHBondContact O-ND2 3.36Å
44	L	96.5	Very high	95.6	Very high	20 Å²	20	53 Å²	53	11%	0.105	24%	0.243	C	C	.	.			trans	-58.5	130.3	176.8	-81.3	167.3	0	0	0	112	L40 I41 N48 I49 R52 I68 Y71	L40-L44 PolarHBondContact O-N 2.8Å; I41-L44 HydrophobicContact CB-CD1 4.41Å; I41-L44 HydrophobicContact CG2-CD1 4.29Å; I41-L44 PolarHBondContact O-N 3.37Å; L44-N48 WeakPolarHBondContact CA-OD1 3.5Å; L44-I49 HydrophobicContact CD2-CD1 3.93Å; L44-R52 HydrophobicContact CD2-CB 3.8Å; L44-R52 HydrophobicContact CD2-CG 3.71Å; L44-I68 HydrophobicContact CD1-CG1 4.14Å; L44-I68 HydrophobicContact CD2-CG1 4.16Å; L44-Y71 HydrophobicContact CB-CD2 3.77Å; L44-Y71 HydrophobicContact CB-CE2 4.12Å; L44-Y71 HydrophobicContact CB-CG 4.11Å; L44-Y71 HydrophobicContact CD1-CG 4.33Å; L44-Y71 WeakPolarHBondContact O-CE2 3.36Å
45	D	95.3	Very high	95.7	Very high	63 Å²	63	47.5 Å²	47.5	34%	0.337	22%	0.223	S	C	.	.			trans	-147.5	175.5	173.2	68.5	31.5	0	0	0	111.1	T43 K47 N48 I49 Y71	T43-D45 PolarHBondContact O-N 2.87Å; D45-K47 PolarHBondContact O-N 2.95Å; D45-K47 WeakPolarHBondContact OD1-CA 3.42Å; D45-K47 VanDerWaalsContact OD1-CB 3.3Å; D45-K47 WeakPolarHBondContact OD1-CB 3.37Å; D45-K47 PolarHBondContact OD1-N 3.08Å; D45-N48 VanDerWaalsContact CG-ND2 3.25Å; D45-N48 PolarHBondContact N-ND2 2.94Å; D45-N48 PolarHBondContact N-OD1 3.46Å; D45-N48 PolarHBondContact O-N 3.49Å; D45-N48 PolarHBondContact O-OD1 2.87Å; D45-N48 PolarHBondContact OD1-N 3.49Å; D45-N48 PolarHBondContact OD1-ND2 3.44Å; D45-N48 VanDerWaalsContact OD1-ND2 3.12Å; D45-N48 PolarHBondContact OD2-ND2 3.28Å; D45-I49 WeakPolarHBondContact O-CB 3.25Å; D45-I49 PolarHBondContact O-N 3.05Å; D45-Y71 WeakPolarHBondContact CA-OH 3.47Å
46	E	92.3	Very high	95.7	Very high	90 Å²	90	46.3 Å²	46.3	42%	0.421	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24	-180	-59	-172.6	-162.2	0	0	113.8	Y71 H77 V78	E46-Y71 PolarHBondContact N-OH 3.23Å; E46-H77 IonicContact OE1-CD2 3.43Å; E46-H77 PolarHBondContact OE1-CD2 2.87Å; E46-H77 IonicContact OE1-CE1 3.82Å; E46-H77 IonicContact OE1-NE2 2.69Å; E46-H77 PolarHBondContact OE1-NE2 3.17Å; E46-V78 HydrophobicContact CG-CG2 4.06Å
47	K	92.1	Very high	95.6	Very high	192 Å²	192	49.6 Å²	49.6	84%	0.835	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-32.3	-178.8	-60.1	179.6	179.6	177.4	0	111.2	D45	D45-K47 PolarHBondContact O-N 2.95Å; D45-K47 WeakPolarHBondContact OD1-CA 3.42Å; D45-K47 VanDerWaalsContact OD1-CB 3.3Å; D45-K47 WeakPolarHBondContact OD1-CB 3.37Å; D45-K47 PolarHBondContact OD1-N 3.08Å
48	N	94.6	Very high	95.5	Very high	24 Å²	24	55.4 Å²	55.4	13%	0.128	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-12.3	-176.7	68.7	43.8	0	0	0	114.2	T43 L44 D45 V50 S51 R52	T43-N48 PolarHBondContact O-ND2 3.36Å; L44-N48 WeakPolarHBondContact CA-OD1 3.5Å; D45-N48 VanDerWaalsContact CG-ND2 3.25Å; D45-N48 PolarHBondContact N-ND2 2.94Å; D45-N48 PolarHBondContact N-OD1 3.46Å; D45-N48 PolarHBondContact O-N 3.49Å; D45-N48 PolarHBondContact O-OD1 2.87Å; D45-N48 PolarHBondContact OD1-N 3.49Å; D45-N48 PolarHBondContact OD1-ND2 3.44Å; D45-N48 VanDerWaalsContact OD1-ND2 3.12Å; D45-N48 PolarHBondContact OD2-ND2 3.28Å; N48-V50 PolarHBondContact O-N 3.12Å; N48-S51 PolarHBondContact O-N 3.04Å; N48-S51 VanDerWaalsContact O-N 3.08Å; N48-S51 PolarHBondContact O-OG 2.7Å; N48-R52 HydrophobicContact CB-CG 4.34Å; N48-R52 WeakPolarHBondContact O-CG 3.45Å; N48-R52 PolarHBondContact O-N 2.88Å
49	I	94.7	Very high	95.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-50.8	-40	-176.9	-168.8	62.3	0	0	0	113.2	L44 D45 R52 V53 I68 Y71 I72 V78 W84	L44-I49 HydrophobicContact CD2-CD1 3.93Å; D45-I49 WeakPolarHBondContact O-CB 3.25Å; D45-I49 PolarHBondContact O-N 3.05Å; I49-R52 PolarHBondContact O-N 2.92Å; I49-V53 HydrophobicContact CG1-CG2 4.4Å; I49-V53 WeakPolarHBondContact O-CB 3.34Å; I49-V53 WeakPolarHBondContact O-CG2 3.29Å; I49-V53 PolarHBondContact O-N 3.19Å; I49-I68 HydrophobicContact CD1-CG2 3.82Å; I49-Y71 HydrophobicContact CD1-CD1 3.68Å; I49-Y71 HydrophobicContact CD1-CE1 4.12Å; I49-Y71 HydrophobicContact CG1-CD1 4.41Å; I49-Y71 HydrophobicContact CG1-CE1 4.47Å; I49-I72 HydrophobicContact CD1-CG1 4.49Å; I49-V78 HydrophobicContact CG1-CG1 4.37Å; I49-V78 HydrophobicContact CG2-CG1 4.13Å; I49-W84 HydrophobicContact CG1-CZ3 4.27Å
50	V	93.6	Very high	95.3	Very high	24 Å²	24	53.9 Å²	53.9	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-45.4	-179.3	162.3	0	0	0	0	112.7	N48 R52 V53 K54 V83 I87	N48-V50 PolarHBondContact O-N 3.12Å; V50-R52 VanDerWaalsContact C-N 3.27Å; V50-R52 PolarHBondContact O-N 3.44Å; V50-V53 PolarHBondContact O-N 3.3Å; V50-K54 WeakPolarHBondContact O-CG 3.15Å; V50-K54 PolarHBondContact O-N 3.17Å; V50-K54 VanDerWaalsContact O-N 3.14Å; V50-V83 HydrophobicContact CB-CG1 4.29Å; V50-V83 HydrophobicContact CG2-CG1 3.59Å; V50-I87 HydrophobicContact CG1-CB 4.19Å; V50-I87 HydrophobicContact CG1-CD1 3.99Å; V50-I87 HydrophobicContact CG1-CG1 4.5Å; V50-I87 HydrophobicContact CG2-CB 4.07Å; V50-I87 HydrophobicContact CG2-CD1 4.49Å; V50-I87 HydrophobicContact CG2-CG2 3.77Å
51	S	94.1	Very high	95	Very high	41 Å²	41	54.4 Å²	54.4	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-37	176.1	60.5	0	0	0	0	110.7	N48 K54 L55	N48-S51 PolarHBondContact O-N 3.04Å; N48-S51 VanDerWaalsContact O-N 3.08Å; N48-S51 PolarHBondContact O-OG 2.7Å; S51-K54 PolarHBondContact O-N 2.66Å; S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 PolarHBondContact O-N 2.97Å
52	R	96.2	Very high	94.7	Very high	20 Å²	20	55 Å²	55	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-38.6	178	-58.7	-74.7	172.6	-104	6.4	112.3	E18 L40 L44 N48 I49 V50 L55 A56 I68	E18-R52 IonicContact OE2-CZ 2.66Å; E18-R52 IonicContact OE2-NH1 3.95Å; E18-R52 PolarHBondContact OE2-NH1 3.25Å; L40-R52 VanDerWaalsContact CD2-NE 3.28Å; L44-R52 HydrophobicContact CD2-CB 3.8Å; L44-R52 HydrophobicContact CD2-CG 3.71Å; N48-R52 HydrophobicContact CB-CG 4.34Å; N48-R52 WeakPolarHBondContact O-CG 3.45Å; N48-R52 PolarHBondContact O-N 2.88Å; I49-R52 PolarHBondContact O-N 2.92Å; V50-R52 VanDerWaalsContact C-N 3.27Å; V50-R52 PolarHBondContact O-N 3.44Å; R52-L55 PolarHBondContact O-N 2.96Å; R52-A56 WeakPolarHBondContact O-CB 3.45Å; R52-A56 PolarHBondContact O-N 3.44Å; R52-I68 VanDerWaalsContact C-CD1 3.48Å; R52-I68 HydrophobicContact CB-CD1 3.94Å; R52-I68 HydrophobicContact CB-CG1 4.39Å; R52-I68 VanDerWaalsContact O-CD1 3.24Å; R52-I68 WeakPolarHBondContact O-CD1 3.36Å
53	V	96.3	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-47.4	173.2	164.8	0	0	0	0	111	I49 V50 A56 K57 I68 W84 I87 A94 I98	I49-V53 HydrophobicContact CG1-CG2 4.4Å; I49-V53 WeakPolarHBondContact O-CB 3.34Å; I49-V53 WeakPolarHBondContact O-CG2 3.29Å; I49-V53 PolarHBondContact O-N 3.19Å; V50-V53 PolarHBondContact O-N 3.3Å; V53-A56 PolarHBondContact O-N 2.96Å; V53-K57 PolarHBondContact O-N 3.04Å; V53-I68 HydrophobicContact CG2-CG2 3.88Å; V53-W84 HydrophobicContact CG2-CH2 4.26Å; V53-W84 HydrophobicContact CG2-CZ3 3.91Å; V53-I87 HydrophobicContact CB-CD1 4.17Å; V53-I87 HydrophobicContact CG1-CD1 3.69Å; V53-A94 HydrophobicContact CG1-CB 3.94Å; V53-I98 HydrophobicContact CB-CG1 4.22Å; V53-I98 HydrophobicContact CG1-CB 4.45Å; V53-I98 HydrophobicContact CG1-CG1 3.78Å; V53-I98 HydrophobicContact CG2-CG1 4.04Å; V53-I98 HydrophobicContact CG2-CG2 4.42Å
54	K	95.1	Very high	94.5	Very high	79 Å²	79	48.3 Å²	48.3	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-45.8	177.4	-69.3	-179.2	-179	-175.5	0	111.3	V50 S51 A56 K57 Q58 I87 E90	V50-K54 WeakPolarHBondContact O-CG 3.15Å; V50-K54 PolarHBondContact O-N 3.17Å; V50-K54 VanDerWaalsContact O-N 3.14Å; S51-K54 PolarHBondContact O-N 2.66Å; K54-A56 PolarHBondContact O-N 3.09Å; K54-K57 PolarHBondContact O-N 2.97Å; K54-Q58 WeakPolarHBondContact O-CB 3.47Å; K54-Q58 PolarHBondContact O-N 2.9Å; K54-I87 HydrophobicContact CG-CD1 3.95Å; K54-E90 IonicContact NZ-OE2 3.45Å
55	L	96.4	Very high	94.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-49	176.8	-179.7	64.9	0	0	0	111.6	E18 M21 Q22 L40 S51 R52 K57 Q58 V59 L64	E18-L55 HydrophobicContact CB-CD2 4.36Å; E18-L55 HydrophobicContact CG-CD1 4.3Å; E18-L55 HydrophobicContact CG-CD2 3.96Å; M21-L55 HydrophobicContact SD-CD2 3.92Å; M21-L55 HydrophobicContact SD-CG 4.29Å; Q22-L55 HydrophobicContact CG-CD1 3.56Å; L40-L55 HydrophobicContact CD1-CD2 3.64Å; S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 PolarHBondContact O-N 2.97Å; R52-L55 PolarHBondContact O-N 2.96Å; L55-K57 PolarHBondContact O-N 3.01Å; L55-Q58 WeakPolarHBondContact O-CB 3.5Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-V59 HydrophobicContact CD1-CG1 4.1Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.34Å; L55-V59 PolarHBondContact O-N 3.45Å; L55-L64 HydrophobicContact CB-CD2 4.49Å; L55-L64 HydrophobicContact CD2-CD2 4.04Å; L55-L64 HydrophobicContact CG-CD2 4.12Å
56	A	96.1	Very high	94.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-38	-178.6	0	0	0	0	0	113.2	R52 V53 K54 D60 S61 L64 I68 F97 I98	R52-A56 WeakPolarHBondContact O-CB 3.45Å; R52-A56 PolarHBondContact O-N 3.44Å; V53-A56 PolarHBondContact O-N 2.96Å; K54-A56 PolarHBondContact O-N 3.09Å; A56-D60 WeakPolarHBondContact O-CA 3.38Å; A56-D60 PolarHBondContact O-N 3.4Å; A56-D60 VanDerWaalsContact O-N 3.14Å; A56-S61 PolarHBondContact O-N 3.49Å; A56-S61 VanDerWaalsContact O-N 3.13Å; A56-L64 HydrophobicContact CB-CB 4.32Å; A56-L64 HydrophobicContact CB-CD2 3.79Å; A56-L64 HydrophobicContact CB-CG 3.87Å; A56-I68 HydrophobicContact CB-CD1 3.73Å; A56-F97 HydrophobicContact CB-CE1 4.42Å; A56-I98 HydrophobicContact CB-CD1 4.02Å
57	K	94.9	Very high	94.5	Very high	70 Å²	70	47.2 Å²	47.2	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-70.9	-42.8	173.6	-175.4	-157.2	-172.2	-172.6	0	111.7	V53 K54 L55 V59 D60 D91 S93 A94 F97	V53-K57 PolarHBondContact O-N 3.04Å; K54-K57 PolarHBondContact O-N 2.97Å; L55-K57 PolarHBondContact O-N 3.01Å; K57-V59 PolarHBondContact O-N 3.35Å; K57-D60 PolarHBondContact O-N 3.26Å; K57-D91 IonicContact NZ-OD1 2.97Å; K57-D91 PolarHBondContact NZ-OD1 3.24Å; K57-D91 IonicContact NZ-OD2 3.09Å; K57-D91 PolarHBondContact NZ-OD2 3.5Å; K57-D91 VanDerWaalsContact NZ-OD2 3.09Å; K57-S93 WeakPolarHBondContact CE-OG 3.45Å; K57-S93 PolarHBondContact NZ-OG 3.4Å; K57-A94 HydrophobicContact CD-CB 3.79Å; K57-F97 HydrophobicContact CB-CD1 3.99Å; K57-F97 HydrophobicContact CB-CE1 4.26Å; K57-F97 HydrophobicContact CB-CG 4.47Å; K57-F97 HydrophobicContact CG-CD1 4.44Å; K57-F97 HydrophobicContact CG-CG 4.42Å
58	Q	94.9	Very high	94.8	Very high	127 Å²	127	38.1 Å²	38.1	59%	0.593	21%	0.206	S	C	*	.	H	α-helix	trans	-61	-42.6	-178.9	-179.3	-176.4	-20.6	0	0	112.2	K54 L55	K54-Q58 WeakPolarHBondContact O-CB 3.47Å; K54-Q58 PolarHBondContact O-N 2.9Å; L55-Q58 WeakPolarHBondContact O-CB 3.5Å; L55-Q58 PolarHBondContact O-N 2.89Å
59	V	95.5	Very high	94.8	Very high	5 Å²	5	37 Å²	37	3%	0.03	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.1	-179	-59.7	0	0	0	0	113.6	M21 H25 L55 K57 S61	M21-V59 HydrophobicContact CE-CG2 3.78Å; M21-V59 HydrophobicContact SD-CG2 4.2Å; H25-V59 HydrophobicContact CB-CB 4.15Å; H25-V59 HydrophobicContact CB-CG1 3.87Å; H25-V59 PolarHBondContact CE1-O 3.45Å; H25-V59 PolarHBondContact ND1-O 3.38Å; L55-V59 HydrophobicContact CD1-CG1 4.1Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.34Å; L55-V59 PolarHBondContact O-N 3.45Å; K57-V59 PolarHBondContact O-N 3.35Å; V59-S61 PolarHBondContact O-N 3.49Å
60	D	93.6	Very high	94.8	Very high	118 Å²	118	40 Å²	40	63%	0.631	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.8	38.6	-175.2	-162.6	29.5	0	0	0	114.4	A56 K57 A62	A56-D60 WeakPolarHBondContact O-CA 3.38Å; A56-D60 PolarHBondContact O-N 3.4Å; A56-D60 VanDerWaalsContact O-N 3.14Å; K57-D60 PolarHBondContact O-N 3.26Å; D60-A62 PolarHBondContact O-N 3.02Å
61	S	92.8	Very high	94.9	Very high	11 Å²	11	40.7 Å²	40.7	8%	0.077	22%	0.217	C	C	.	.			trans	-86.7	100.2	-169.4	-171.9	0	0	0	0	111.5	M21 E33 A56 V59 A63 L64 S65	M21-S61 VanDerWaalsContact CE-CB 3.42Å; M21-S61 WeakPolarHBondContact CE-OG 3.26Å; E33-S61 PolarHBondContact OE1-OG 2.93Å; A56-S61 PolarHBondContact O-N 3.49Å; A56-S61 VanDerWaalsContact O-N 3.13Å; V59-S61 PolarHBondContact O-N 3.49Å; S61-A63 PolarHBondContact O-N 3.2Å; S61-A63 VanDerWaalsContact O-N 3.16Å; S61-L64 PolarHBondContact O-N 3.49Å; S61-L64 VanDerWaalsContact O-N 3.09Å; S61-S65 PolarHBondContact O-N 3.2Å; S61-S65 PolarHBondContact O-OG 3.39Å; S61-S65 VanDerWaalsContact O-OG 3.11Å
62	A	91.6	Very high	94.9	Very high	70 Å²	70	39 Å²	39	58%	0.579	20%	0.204	S	C	*	.	H	α-helix	trans	-55.2	-34.7	178.5	0	0	0	0	0	113.5	D60 R66	D60-A62 PolarHBondContact O-N 3.02Å; A62-R66 WeakPolarHBondContact O-CB 3.48Å; A62-R66 PolarHBondContact O-N 3.33Å
63	A	91.9	Very high	94.7	Very high	59 Å²	59	39.8 Å²	39.8	49%	0.488	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-43.7	178.1	0	0	0	0	0	111.8	S61 R66 G67	S61-A63 PolarHBondContact O-N 3.2Å; S61-A63 VanDerWaalsContact O-N 3.16Å; A63-R66 PolarHBondContact O-N 2.91Å; A63-G67 PolarHBondContact O-N 3.41Å
64	L	95.8	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-45.5	176.6	-176.8	58.8	0	0	0	110.9	M21 L40 I41 L55 A56 S61 R66 G67 I68	M21-L64 HydrophobicContact CE-CB 4.02Å; M21-L64 HydrophobicContact CE-CD2 3.94Å; M21-L64 HydrophobicContact SD-CD2 3.7Å; L40-L64 HydrophobicContact CB-CD1 4.19Å; I41-L64 HydrophobicContact CD1-CD1 4.44Å; I41-L64 HydrophobicContact CG1-CD1 3.77Å; L55-L64 HydrophobicContact CB-CD2 4.49Å; L55-L64 HydrophobicContact CD2-CD2 4.04Å; L55-L64 HydrophobicContact CG-CD2 4.12Å; A56-L64 HydrophobicContact CB-CB 4.32Å; A56-L64 HydrophobicContact CB-CD2 3.79Å; A56-L64 HydrophobicContact CB-CG 3.87Å; S61-L64 PolarHBondContact O-N 3.49Å; S61-L64 VanDerWaalsContact O-N 3.09Å; L64-R66 VanDerWaalsContact C-N 3.26Å; L64-R66 PolarHBondContact O-N 2.84Å; L64-G67 PolarHBondContact O-N 3.09Å; L64-I68 HydrophobicContact CD1-CD1 4.08Å; L64-I68 HydrophobicContact CD1-CG1 4.21Å; L64-I68 HydrophobicContact CD2-CD1 4.47Å; L64-I68 HydrophobicContact CG-CD1 3.81Å; L64-I68 HydrophobicContact CG-CG1 4.39Å; L64-I68 WeakPolarHBondContact O-CG1 3.21Å; L64-I68 PolarHBondContact O-N 3.27Å
65	S	95.7	Very high	94.6	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-41.3	175.8	-60.4	0	0	0	0	112.3	S61 S69 F97	S61-S65 PolarHBondContact O-N 3.2Å; S61-S65 PolarHBondContact O-OG 3.39Å; S61-S65 VanDerWaalsContact O-OG 3.11Å; S65-S69 VanDerWaalsContact O-CB 3.25Å; S65-S69 WeakPolarHBondContact O-CB 3.44Å; S65-S69 PolarHBondContact O-N 3.37Å; S65-S69 PolarHBondContact O-OG 3.26Å; S65-F97 WeakPolarHBondContact OG-CE1 3.02Å
66	R	93.9	Very high	94.4	Very high	136 Å²	136	52.7 Å²	52.7	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-44.4	174.1	177.8	174.1	-54.9	162.5	1.3	112.7	A62 A63 L64 S69 N70 H105	A62-R66 WeakPolarHBondContact O-CB 3.48Å; A62-R66 PolarHBondContact O-N 3.33Å; A63-R66 PolarHBondContact O-N 2.91Å; L64-R66 VanDerWaalsContact C-N 3.26Å; L64-R66 PolarHBondContact O-N 2.84Å; R66-S69 WeakPolarHBondContact O-CB 2.95Å; R66-S69 PolarHBondContact O-N 3.2Å; R66-N70 WeakPolarHBondContact O-CB 3.36Å; R66-N70 VanDerWaalsContact O-CG 3.3Å; R66-N70 PolarHBondContact O-N 3.42Å; R66-N70 PolarHBondContact O-ND2 2.91Å; R66-H105 WeakPolarHBondContact CB-NE2 3.43Å; R66-H105 VanDerWaalsContact CG-NE2 3.33Å; R66-H105 WeakPolarHBondContact CG-NE2 2.76Å; R66-H105 PolarHBondContact NE-CE1 3.33Å; R66-H105 PolarHBondContact NE-NE2 2.69Å
67	G	95.7	Very high	94.4	Very high	9 Å²	9	57.5 Å²	57.5	9%	0.093	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-45.3	177.3	0	0	0	0	0	112.5	A63 L64 N70 Y71	A63-G67 PolarHBondContact O-N 3.41Å; L64-G67 PolarHBondContact O-N 3.09Å; G67-N70 PolarHBondContact O-N 3Å; G67-Y71 PolarHBondContact O-N 3.41Å
68	I	96.6	Very high	94.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-45.8	175.3	-67.9	170.4	0	0	0	110.8	L44 I49 R52 V53 A56 L64 N70 Y71 I72 I98	L44-I68 HydrophobicContact CD1-CG1 4.14Å; L44-I68 HydrophobicContact CD2-CG1 4.16Å; I49-I68 HydrophobicContact CD1-CG2 3.82Å; R52-I68 VanDerWaalsContact C-CD1 3.48Å; R52-I68 HydrophobicContact CB-CD1 3.94Å; R52-I68 HydrophobicContact CB-CG1 4.39Å; R52-I68 VanDerWaalsContact O-CD1 3.24Å; R52-I68 WeakPolarHBondContact O-CD1 3.36Å; V53-I68 HydrophobicContact CG2-CG2 3.88Å; A56-I68 HydrophobicContact CB-CD1 3.73Å; L64-I68 HydrophobicContact CD1-CD1 4.08Å; L64-I68 HydrophobicContact CD1-CG1 4.21Å; L64-I68 HydrophobicContact CD2-CD1 4.47Å; L64-I68 HydrophobicContact CG-CD1 3.81Å; L64-I68 HydrophobicContact CG-CG1 4.39Å; L64-I68 WeakPolarHBondContact O-CG1 3.21Å; L64-I68 PolarHBondContact O-N 3.27Å; I68-N70 VanDerWaalsContact C-N 3.34Å; I68-N70 PolarHBondContact O-N 3.2Å; I68-Y71 WeakPolarHBondContact O-CA 3.31Å; I68-Y71 WeakPolarHBondContact O-CB 3.37Å; I68-Y71 PolarHBondContact O-N 3.36Å; I68-Y71 VanDerWaalsContact O-N 3.09Å; I68-I72 HydrophobicContact CG2-CD1 3.91Å; I68-I72 WeakPolarHBondContact O-CG1 3.24Å; I68-I72 PolarHBondContact O-N 3.16Å; I68-I98 HydrophobicContact CB-CD1 4.4Å; I68-I98 HydrophobicContact CD1-CD1 4.29Å; I68-I98 HydrophobicContact CG2-CD1 4.17Å; I68-I98 HydrophobicContact CG2-CG1 4.33Å; I68-I98 HydrophobicContact CG2-CG2 3.58Å
69	S	94.8	Very high	94.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-47.8	176.9	-65.7	0	0	0	0	111.7	S65 R66 Y71 I72 I73 A101 A102	S65-S69 VanDerWaalsContact O-CB 3.25Å; S65-S69 WeakPolarHBondContact O-CB 3.44Å; S65-S69 PolarHBondContact O-N 3.37Å; S65-S69 PolarHBondContact O-OG 3.26Å; R66-S69 WeakPolarHBondContact O-CB 2.95Å; R66-S69 PolarHBondContact O-N 3.2Å; S69-Y71 VanDerWaalsContact C-N 3.27Å; S69-Y71 PolarHBondContact O-N 3.32Å; S69-I72 PolarHBondContact O-N 2.83Å; S69-I73 VanDerWaalsContact O-CG1 3.26Å; S69-I73 WeakPolarHBondContact O-CG1 3.3Å; S69-I73 PolarHBondContact O-N 3.21Å; S69-A101 WeakPolarHBondContact OG-CB 3.03Å; S69-A102 PolarHBondContact OG-N 2.66Å; S69-A102 VanDerWaalsContact OG-N 3.17Å
70	N	94.6	Very high	94.2	Very high	65 Å²	65	54.7 Å²	54.7	35%	0.348	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-36.1	176.7	-74.3	-20	0	0	0	112.3	R66 G67 I68 K74	R66-N70 WeakPolarHBondContact O-CB 3.36Å; R66-N70 VanDerWaalsContact O-CG 3.3Å; R66-N70 PolarHBondContact O-N 3.42Å; R66-N70 PolarHBondContact O-ND2 2.91Å; G67-N70 PolarHBondContact O-N 3Å; I68-N70 VanDerWaalsContact C-N 3.34Å; I68-N70 PolarHBondContact O-N 3.2Å; N70-K74 WeakPolarHBondContact O-CB 3.3Å; N70-K74 VanDerWaalsContact O-CG 3.3Å; N70-K74 WeakPolarHBondContact O-CG 3.45Å; N70-K74 PolarHBondContact O-N 3.28Å
71	Y	96	Very high	94.2	Very high	38 Å²	38	50.3 Å²	50.3	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-47.5	174.4	-179.8	-90.8	0	0	0	111.2	L44 D45 E46 I49 G67 I68 S69 K74 N75 V78	L44-Y71 HydrophobicContact CB-CD2 3.77Å; L44-Y71 HydrophobicContact CB-CE2 4.12Å; L44-Y71 HydrophobicContact CB-CG 4.11Å; L44-Y71 HydrophobicContact CD1-CG 4.33Å; L44-Y71 WeakPolarHBondContact O-CE2 3.36Å; D45-Y71 WeakPolarHBondContact CA-OH 3.47Å; E46-Y71 PolarHBondContact N-OH 3.23Å; I49-Y71 HydrophobicContact CD1-CD1 3.68Å; I49-Y71 HydrophobicContact CD1-CE1 4.12Å; I49-Y71 HydrophobicContact CG1-CD1 4.41Å; I49-Y71 HydrophobicContact CG1-CE1 4.47Å; G67-Y71 PolarHBondContact O-N 3.41Å; I68-Y71 WeakPolarHBondContact O-CA 3.31Å; I68-Y71 WeakPolarHBondContact O-CB 3.37Å; I68-Y71 PolarHBondContact O-N 3.36Å; I68-Y71 VanDerWaalsContact O-N 3.09Å; S69-Y71 VanDerWaalsContact C-N 3.27Å; S69-Y71 PolarHBondContact O-N 3.32Å; Y71-K74 PolarHBondContact O-N 3.36Å; Y71-N75 HydrophobicContact CE1-CB 4.23Å; Y71-N75 WeakPolarHBondContact CE2-ND2 3.5Å; Y71-N75 WeakPolarHBondContact O-CB 3.49Å; Y71-N75 PolarHBondContact O-N 2.81Å; Y71-N75 PolarHBondContact O-ND2 3.45Å; Y71-V78 HydrophobicContact CE1-CG2 4.07Å
72	I	94.8	Very high	94.2	Very high	4 Å²	4	56 Å²	56	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-44.9	178.5	-69.1	167.4	0	0	0	111.3	I49 I68 S69 K74 N75 Q76 L79 W84 I98	I49-I72 HydrophobicContact CD1-CG1 4.49Å; I68-I72 HydrophobicContact CG2-CD1 3.91Å; I68-I72 WeakPolarHBondContact O-CG1 3.24Å; I68-I72 PolarHBondContact O-N 3.16Å; S69-I72 PolarHBondContact O-N 2.83Å; I72-K74 PolarHBondContact O-N 2.66Å; I72-N75 CarbonylContact O-C 3.24Å; I72-N75 PolarHBondContact O-N 2.91Å; I72-N75 VanDerWaalsContact O-N 3.1Å; I72-Q76 WeakPolarHBondContact O-CA 3.45Å; I72-Q76 PolarHBondContact O-N 3.22Å; I72-Q76 VanDerWaalsContact O-N 3.15Å; I72-L79 HydrophobicContact CG2-CD1 4.1Å; I72-L79 HydrophobicContact CG2-CD2 3.72Å; I72-L79 HydrophobicContact CG2-CG 3.96Å; I72-W84 HydrophobicContact CD1-CH2 3.46Å; I72-W84 VanDerWaalsContact CD1-CH2 3.46Å; I72-W84 HydrophobicContact CD1-CZ2 4.39Å; I72-W84 HydrophobicContact CD1-CZ3 3.68Å; I72-W84 HydrophobicContact CG1-CZ3 4.39Å; I72-I98 HydrophobicContact CD1-CG2 3.49Å; I72-I98 VanDerWaalsContact CD1-CG2 3.49Å
73	I	92.8	Very high	94.1	Very high	37 Å²	37	56 Å²	56	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-38.8	178.8	-70.1	164.4	0	0	0	111	S69 Q76 H105 L106	S69-I73 VanDerWaalsContact O-CG1 3.26Å; S69-I73 WeakPolarHBondContact O-CG1 3.3Å; S69-I73 PolarHBondContact O-N 3.21Å; I73-Q76 WeakPolarHBondContact O-CG 3.26Å; I73-H105 HydrophobicContact CD1-CB 4.19Å; I73-L106 HydrophobicContact CD1-CD2 3.96Å; I73-L106 HydrophobicContact CD1-CG 3.91Å; I73-L106 HydrophobicContact CG1-CD2 4.07Å; I73-L106 HydrophobicContact CG1-CG 4.2Å; I73-L106 HydrophobicContact CG2-CD2 3.97Å
74	K	94	Very high	94.2	Very high	173 Å²	173	53.1 Å²	53.1	75%	0.752	27%	0.268	S	S	*	.	H	α-helix	trans	-79.9	-23.2	178.3	-69.8	177.5	-179.1	-175.6	0	113.6	N70 Y71 I72	N70-K74 WeakPolarHBondContact O-CB 3.3Å; N70-K74 VanDerWaalsContact O-CG 3.3Å; N70-K74 WeakPolarHBondContact O-CG 3.45Å; N70-K74 PolarHBondContact O-N 3.28Å; Y71-K74 PolarHBondContact O-N 3.36Å; I72-K74 PolarHBondContact O-N 2.66Å
75	N	94.9	Very high	94.1	Very high	45 Å²	45	58.1 Å²	58.1	24%	0.241	29%	0.29	C	S	.	.			trans	-126	57	-174.6	-60.3	-82	0	0	0	109.8	Y71 I72 H77 V78	Y71-N75 HydrophobicContact CE1-CB 4.23Å; Y71-N75 WeakPolarHBondContact CE2-ND2 3.5Å; Y71-N75 WeakPolarHBondContact O-CB 3.49Å; Y71-N75 PolarHBondContact O-N 2.81Å; Y71-N75 PolarHBondContact O-ND2 3.45Å; I72-N75 CarbonylContact O-C 3.24Å; I72-N75 PolarHBondContact O-N 2.91Å; I72-N75 VanDerWaalsContact O-N 3.1Å; N75-H77 PolarHBondContact O-N 3.38Å; N75-V78 HydrophobicContact CB-CG2 3.9Å; N75-V78 VanDerWaalsContact O-CB 3.24Å; N75-V78 WeakPolarHBondContact O-CB 3.36Å; N75-V78 VanDerWaalsContact O-CG2 3.23Å; N75-V78 WeakPolarHBondContact O-CG2 3.23Å; N75-V78 PolarHBondContact O-N 2.64Å
76	Q	92.7	Very high	94	Very high	135 Å²	135	63.5 Å²	63.5	63%	0.631	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.3	-172	-63.6	-176.7	-13.7	0	0	113.5	I72 I73 V78 L79	I72-Q76 WeakPolarHBondContact O-CA 3.45Å; I72-Q76 PolarHBondContact O-N 3.22Å; I72-Q76 VanDerWaalsContact O-N 3.15Å; I73-Q76 WeakPolarHBondContact O-CG 3.26Å; Q76-V78 PolarHBondContact O-N 2.91Å; Q76-V78 VanDerWaalsContact O-N 3.16Å; Q76-L79 WeakPolarHBondContact O-CB 3.35Å; Q76-L79 PolarHBondContact O-N 3.26Å
77	H	95.2	Very high	94	Very high	100 Å²	100	57.1 Å²	57.1	46%	0.463	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-59.9	-23.3	175.7	64.9	-79.8	0	0	0	113	E46 N75 L79 S80 S81	E46-H77 IonicContact OE1-CD2 3.43Å; E46-H77 PolarHBondContact OE1-CD2 2.87Å; E46-H77 IonicContact OE1-CE1 3.82Å; E46-H77 IonicContact OE1-NE2 2.69Å; E46-H77 PolarHBondContact OE1-NE2 3.17Å; N75-H77 PolarHBondContact O-N 3.38Å; H77-L79 PolarHBondContact O-N 3.1Å; H77-S80 PolarHBondContact O-N 3.28Å; H77-S81 PolarHBondContact O-N 2.96Å
78	V	94.1	Very high	93.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56	-38.3	173.2	173.1	0	0	0	0	111.1	E46 I49 Y71 N75 Q76 S80 S81 W84	E46-V78 HydrophobicContact CG-CG2 4.06Å; I49-V78 HydrophobicContact CG1-CG1 4.37Å; I49-V78 HydrophobicContact CG2-CG1 4.13Å; Y71-V78 HydrophobicContact CE1-CG2 4.07Å; N75-V78 HydrophobicContact CB-CG2 3.9Å; N75-V78 VanDerWaalsContact O-CB 3.24Å; N75-V78 WeakPolarHBondContact O-CB 3.36Å; N75-V78 VanDerWaalsContact O-CG2 3.23Å; N75-V78 WeakPolarHBondContact O-CG2 3.23Å; N75-V78 PolarHBondContact O-N 2.64Å; Q76-V78 PolarHBondContact O-N 2.91Å; Q76-V78 VanDerWaalsContact O-N 3.16Å; V78-S80 PolarHBondContact O-N 2.91Å; V78-S81 VanDerWaalsContact O-CB 3.25Å; V78-S81 WeakPolarHBondContact O-CB 3.45Å; V78-S81 PolarHBondContact O-N 3.11Å; V78-S81 PolarHBondContact O-OG 3.31Å; V78-W84 HydrophobicContact CG1-CE3 4.04Å; V78-W84 WeakPolarHBondContact O-CB 3.48Å
79	L	92.4	Very high	93.7	Very high	61 Å²	61	65.7 Å²	65.7	32%	0.319	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63.5	-24.5	179.4	-60.6	179.5	0	0	0	112.7	I72 Q76 H77 W84 L99	I72-L79 HydrophobicContact CG2-CD1 4.1Å; I72-L79 HydrophobicContact CG2-CD2 3.72Å; I72-L79 HydrophobicContact CG2-CG 3.96Å; Q76-L79 WeakPolarHBondContact O-CB 3.35Å; Q76-L79 PolarHBondContact O-N 3.26Å; H77-L79 PolarHBondContact O-N 3.1Å; L79-W84 HydrophobicContact CD2-CD2 3.9Å; L79-W84 HydrophobicContact CD2-CG 4.31Å; L79-W84 HydrophobicContact CD2-CH2 4.3Å; L79-W84 HydrophobicContact CD2-CZ2 3.64Å; L79-L99 HydrophobicContact CD2-CD2 4.01Å
80	S	93.5	Very high	93.7	Very high	83 Å²	83	71 Å²	71	58%	0.58	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-91.8	-8.2	177.3	-62.3	0	0	0	0	113.4	H77 V78 K85	H77-S80 PolarHBondContact O-N 3.28Å; V78-S80 PolarHBondContact O-N 2.91Å; S80-K85 VanDerWaalsContact O-CE 3.28Å; S80-K85 WeakPolarHBondContact O-CE 3.14Å; S80-K85 PolarHBondContact O-NZ 3.45Å
81	S	93.8	Very high	93.7	Very high	25 Å²	25	69.7 Å²	69.7	18%	0.175	35%	0.352	C	S	.	.	S	Bend	trans	-68.7	151	-178.2	74.5	0	0	0	0	112	H77 V78 V83 W84 K85	H77-S81 PolarHBondContact O-N 2.96Å; V78-S81 VanDerWaalsContact O-CB 3.25Å; V78-S81 WeakPolarHBondContact O-CB 3.45Å; V78-S81 PolarHBondContact O-N 3.11Å; V78-S81 PolarHBondContact O-OG 3.31Å; S81-V83 PolarHBondContact O-N 3.14Å; S81-W84 PolarHBondContact O-N 2.66Å; S81-W84 WeakPolarHBondContact OG-CB 3.25Å; S81-W84 PolarHBondContact OG-N 3.19Å; S81-W84 VanDerWaalsContact OG-N 3.12Å; S81-K85 WeakPolarHBondContact O-CG 3.46Å; S81-K85 PolarHBondContact O-N 2.88Å
82	D	93.2	Very high	93.6	Very high	130 Å²	130	71.4 Å²	71.4	70%	0.695	37%	0.368	S	S	*	.	H	α-helix	trans	-61.9	-32.7	176.2	-64.8	-24.3	0	0	0	111.7	K86	D82-K86 VanDerWaalsContact O-CB 3.25Å; D82-K86 WeakPolarHBondContact O-CB 3.39Å; D82-K86 PolarHBondContact O-N 3.37Å
83	V	90.5	Very high	93.6	Very high	70 Å²	70	74.3 Å²	74.3	42%	0.424	39%	0.388	S	S	.	.	H	α-helix	trans	-64.9	-41.8	178.4	-170.7	0	0	0	0	110.6	V50 S81 I87	V50-V83 HydrophobicContact CB-CG1 4.29Å; V50-V83 HydrophobicContact CG2-CG1 3.59Å; S81-V83 PolarHBondContact O-N 3.14Å; V83-I87 PolarHBondContact O-N 3.08Å
84	W	93	Very high	93.7	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-71	-47.3	176.8	-172	-90.6	0	0	0	112.6	I49 V53 I72 V78 L79 S81 K86 I87 E88 T95 I98 L99	I49-W84 HydrophobicContact CG1-CZ3 4.27Å; V53-W84 HydrophobicContact CG2-CH2 4.26Å; V53-W84 HydrophobicContact CG2-CZ3 3.91Å; I72-W84 HydrophobicContact CD1-CH2 3.46Å; I72-W84 VanDerWaalsContact CD1-CH2 3.46Å; I72-W84 HydrophobicContact CD1-CZ2 4.39Å; I72-W84 HydrophobicContact CD1-CZ3 3.68Å; I72-W84 HydrophobicContact CG1-CZ3 4.39Å; V78-W84 HydrophobicContact CG1-CE3 4.04Å; V78-W84 WeakPolarHBondContact O-CB 3.48Å; L79-W84 HydrophobicContact CD2-CD2 3.9Å; L79-W84 HydrophobicContact CD2-CG 4.31Å; L79-W84 HydrophobicContact CD2-CH2 4.3Å; L79-W84 HydrophobicContact CD2-CZ2 3.64Å; S81-W84 PolarHBondContact O-N 2.66Å; S81-W84 WeakPolarHBondContact OG-CB 3.25Å; S81-W84 PolarHBondContact OG-N 3.19Å; S81-W84 VanDerWaalsContact OG-N 3.12Å; W84-K86 PolarHBondContact O-N 3.4Å; W84-K86 VanDerWaalsContact O-N 3.17Å; W84-I87 HydrophobicContact CD2-CG2 4.41Å; W84-I87 HydrophobicContact CE3-CG2 4.46Å; W84-I87 WeakPolarHBondContact O-CG2 3.12Å; W84-I87 PolarHBondContact O-N 3.05Å; W84-E88 VanDerWaalsContact CD1-OE1 3.28Å; W84-E88 PolarHBondContact NE1-OE1 2.92Å; W84-E88 PolarHBondContact O-N 2.96Å; W84-T95 HydrophobicContact CZ2-CG2 4.4Å; W84-I98 HydrophobicContact CH2-CG2 4.33Å; W84-L99 HydrophobicContact CZ2-CD1 4.34Å; W84-L99 HydrophobicContact CZ2-CD2 4.01Å; W84-L99 HydrophobicContact CZ2-CG 4.08Å
85	K	94	Very high	93.7	Very high	104 Å²	104	64.8 Å²	64.8	45%	0.452	35%	0.346	S	S	.	.	H	α-helix	trans	-56.4	-34.8	175.9	-70.9	170.9	179.4	158.7	0	112.2	S80 S81 E88 T89	S80-K85 VanDerWaalsContact O-CE 3.28Å; S80-K85 WeakPolarHBondContact O-CE 3.14Å; S80-K85 PolarHBondContact O-NZ 3.45Å; S81-K85 WeakPolarHBondContact O-CG 3.46Å; S81-K85 PolarHBondContact O-N 2.88Å; K85-E88 PolarHBondContact O-N 3.41Å; K85-T89 PolarHBondContact O-N 2.96Å; K85-T89 PolarHBondContact O-OG1 2.77Å
86	K	93.2	Very high	93.6	Very high	119 Å²	119	65.3 Å²	65.3	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-46.6	175.7	-175.1	172.2	176.5	178.2	0	112.1	D82 W84 E88 T89 E90	D82-K86 VanDerWaalsContact O-CB 3.25Å; D82-K86 WeakPolarHBondContact O-CB 3.39Å; D82-K86 PolarHBondContact O-N 3.37Å; W84-K86 PolarHBondContact O-N 3.4Å; W84-K86 VanDerWaalsContact O-N 3.17Å; K86-E88 VanDerWaalsContact C-N 3.31Å; K86-E88 PolarHBondContact O-N 3Å; K86-T89 PolarHBondContact O-N 3.25Å; K86-T89 PolarHBondContact O-OG1 3.46Å; K86-E90 WeakPolarHBondContact CE-OE1 3.23Å; K86-E90 HydrophobicContact CG-CG 4.32Å; K86-E90 IonicContact NZ-OE1 3.77Å; K86-E90 WeakPolarHBondContact O-CB 3.41Å; K86-E90 WeakPolarHBondContact O-CG 3.36Å; K86-E90 PolarHBondContact O-N 3.12Å
87	I	93.7	Very high	93.6	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-67.4	-31.2	176	-173.7	171.6	0	0	0	112.2	V50 V53 K54 V83 W84 T89 E90 D91 A94 T95	V50-I87 HydrophobicContact CG1-CB 4.19Å; V50-I87 HydrophobicContact CG1-CD1 3.99Å; V50-I87 HydrophobicContact CG1-CG1 4.5Å; V50-I87 HydrophobicContact CG2-CB 4.07Å; V50-I87 HydrophobicContact CG2-CD1 4.49Å; V50-I87 HydrophobicContact CG2-CG2 3.77Å; V53-I87 HydrophobicContact CB-CD1 4.17Å; V53-I87 HydrophobicContact CG1-CD1 3.69Å; K54-I87 HydrophobicContact CG-CD1 3.95Å; V83-I87 PolarHBondContact O-N 3.08Å; W84-I87 HydrophobicContact CD2-CG2 4.41Å; W84-I87 HydrophobicContact CE3-CG2 4.46Å; W84-I87 WeakPolarHBondContact O-CG2 3.12Å; W84-I87 PolarHBondContact O-N 3.05Å; I87-T89 PolarHBondContact O-N 3.47Å; I87-E90 PolarHBondContact O-N 3.38Å; I87-D91 HydrophobicContact CG1-CB 4.36Å; I87-D91 CarbonylContact O-C 3.16Å; I87-D91 VanDerWaalsContact O-C 3.24Å; I87-D91 WeakPolarHBondContact O-CA 3.24Å; I87-D91 PolarHBondContact O-N 2.97Å; I87-A94 HydrophobicContact CD1-CB 4.33Å; I87-T95 HydrophobicContact CB-CG2 4.22Å; I87-T95 HydrophobicContact CD1-CG2 4.36Å; I87-T95 HydrophobicContact CG1-CG2 3.83Å; I87-T95 HydrophobicContact CG2-CG2 3.72Å
88	E	93.3	Very high	93.5	Very high	78 Å²	78	57.1 Å²	57.1	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-29.2	175	-75.3	-177.2	161.7	0	0	113	W84 K85 K86 P92 T95	W84-E88 VanDerWaalsContact CD1-OE1 3.28Å; W84-E88 PolarHBondContact NE1-OE1 2.92Å; W84-E88 PolarHBondContact O-N 2.96Å; K85-E88 PolarHBondContact O-N 3.41Å; K86-E88 VanDerWaalsContact C-N 3.31Å; K86-E88 PolarHBondContact O-N 3Å; E88-P92 VanDerWaalsContact O-CG 3.31Å; E88-P92 WeakPolarHBondContact O-CG 3.48Å; E88-T95 HydrophobicContact CB-CG2 4.4Å; E88-T95 HydrophobicContact CG-CG2 3.82Å
89	T	94.2	Very high	93.5	Very high	112 Å²	112	59.7 Å²	59.7	69%	0.687	33%	0.331	S	S	*	.	H	α-helix	trans	-90.1	-39.1	176.6	53.6	0	0	0	0	112.6	K85 K86 I87	K85-T89 PolarHBondContact O-N 2.96Å; K85-T89 PolarHBondContact O-OG1 2.77Å; K86-T89 PolarHBondContact O-N 3.25Å; K86-T89 PolarHBondContact O-OG1 3.46Å; I87-T89 PolarHBondContact O-N 3.47Å
90	E	94.3	Very high	93.4	Very high	111 Å²	111	63.9 Å²	63.9	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-77.6	-39.2	-178.4	-71.1	-179.4	172.7	0	0	114.2	K54 K86 I87	K54-E90 IonicContact NZ-OE2 3.45Å; K86-E90 WeakPolarHBondContact CE-OE1 3.23Å; K86-E90 HydrophobicContact CG-CG 4.32Å; K86-E90 IonicContact NZ-OE1 3.77Å; K86-E90 WeakPolarHBondContact O-CB 3.41Å; K86-E90 WeakPolarHBondContact O-CG 3.36Å; K86-E90 PolarHBondContact O-N 3.12Å; I87-E90 PolarHBondContact O-N 3.38Å
91	D	94.9	Very high	93.3	Very high	37 Å²	37	60.8 Å²	60.8	20%	0.198	33%	0.327	C	S	.	.			trans	-142.1	75.3	177.1	-169.8	-12.6	0	0	0	110.9	K57 I87 S93 A94 T95	K57-D91 IonicContact NZ-OD1 2.97Å; K57-D91 PolarHBondContact NZ-OD1 3.24Å; K57-D91 IonicContact NZ-OD2 3.09Å; K57-D91 PolarHBondContact NZ-OD2 3.5Å; K57-D91 VanDerWaalsContact NZ-OD2 3.09Å; I87-D91 HydrophobicContact CG1-CB 4.36Å; I87-D91 CarbonylContact O-C 3.16Å; I87-D91 VanDerWaalsContact O-C 3.24Å; I87-D91 WeakPolarHBondContact O-CA 3.24Å; I87-D91 PolarHBondContact O-N 2.97Å; D91-S93 PolarHBondContact O-N 3.28Å; D91-S93 VanDerWaalsContact O-N 3.1Å; D91-S93 PolarHBondContact OD1-N 2.92Å; D91-S93 PolarHBondContact OD1-OG 2.85Å; D91-A94 HydrophobicContact CB-CB 4.08Å; D91-A94 VanDerWaalsContact CG-CB 3.42Å; D91-A94 PolarHBondContact O-N 2.82Å; D91-A94 VanDerWaalsContact O-N 3.11Å; D91-A94 PolarHBondContact OD1-N 3.36Å; D91-A94 WeakPolarHBondContact OD2-CB 3.42Å; D91-T95 PolarHBondContact O-N 3.06Å
92	P	94.2	Very high	93.2	Very high	75 Å²	75	59.9 Å²	59.9	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-58.1	-26.4	177.9	-17.1	24.5	0	0	0	112.9	E88 T95 A96	E88-P92 VanDerWaalsContact O-CG 3.31Å; E88-P92 WeakPolarHBondContact O-CG 3.48Å; P92-T95 WeakPolarHBondContact CA-OG1 3.33Å; P92-T95 PolarHBondContact O-OG1 3.15Å; P92-A96 VanDerWaalsContact O-CB 3.23Å; P92-A96 WeakPolarHBondContact O-CB 3.44Å; P92-A96 PolarHBondContact O-N 3.1Å
93	S	94.5	Very high	93	Very high	65 Å²	65	57.3 Å²	57.3	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-75.5	-32.7	-179.6	60.8	0	0	0	0	112.6	K57 D91 F97	K57-S93 WeakPolarHBondContact CE-OG 3.45Å; K57-S93 PolarHBondContact NZ-OG 3.4Å; D91-S93 PolarHBondContact O-N 3.28Å; D91-S93 VanDerWaalsContact O-N 3.1Å; D91-S93 PolarHBondContact OD1-N 2.92Å; D91-S93 PolarHBondContact OD1-OG 2.85Å; S93-F97 WeakPolarHBondContact O-CB 3.5Å; S93-F97 PolarHBondContact O-N 3.26Å
94	A	93.4	Very high	92.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-41.2	172	0	0	0	0	0	112.1	V53 K57 I87 D91 F97 I98	V53-A94 HydrophobicContact CG1-CB 3.94Å; K57-A94 HydrophobicContact CD-CB 3.79Å; I87-A94 HydrophobicContact CD1-CB 4.33Å; D91-A94 HydrophobicContact CB-CB 4.08Å; D91-A94 VanDerWaalsContact CG-CB 3.42Å; D91-A94 PolarHBondContact O-N 2.82Å; D91-A94 VanDerWaalsContact O-N 3.11Å; D91-A94 PolarHBondContact OD1-N 3.36Å; D91-A94 WeakPolarHBondContact OD2-CB 3.42Å; A94-F97 PolarHBondContact O-N 3.22Å; A94-I98 PolarHBondContact O-N 3.42Å
95	T	94	Very high	92.3	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.055	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-45.3	176.3	60.5	0	0	0	0	110.9	W84 I87 E88 D91 P92 F97 I98 L99	W84-T95 HydrophobicContact CZ2-CG2 4.4Å; I87-T95 HydrophobicContact CB-CG2 4.22Å; I87-T95 HydrophobicContact CD1-CG2 4.36Å; I87-T95 HydrophobicContact CG1-CG2 3.83Å; I87-T95 HydrophobicContact CG2-CG2 3.72Å; E88-T95 HydrophobicContact CB-CG2 4.4Å; E88-T95 HydrophobicContact CG-CG2 3.82Å; D91-T95 PolarHBondContact O-N 3.06Å; P92-T95 WeakPolarHBondContact CA-OG1 3.33Å; P92-T95 PolarHBondContact O-OG1 3.15Å; T95-F97 VanDerWaalsContact C-N 3.32Å; T95-F97 PolarHBondContact O-N 3.34Å; T95-I98 PolarHBondContact O-N 3.07Å; T95-L99 WeakPolarHBondContact O-CB 3.31Å; T95-L99 VanDerWaalsContact O-CG 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.5Å; T95-L99 PolarHBondContact O-N 2.95Å
96	A	93.9	Very high	91.7	Very high	57 Å²	57	60.1 Å²	60.1	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-41	175.8	0	0	0	0	0	112.5	P92 I98 K100	P92-A96 VanDerWaalsContact O-CB 3.23Å; P92-A96 WeakPolarHBondContact O-CB 3.44Å; P92-A96 PolarHBondContact O-N 3.1Å; A96-I98 PolarHBondContact O-N 3.32Å; A96-K100 WeakPolarHBondContact O-CB 3.41Å; A96-K100 PolarHBondContact O-N 3.23Å
97	F	92.1	Very high	91	Very high	62 Å²	62	62.8 Å²	62.8	27%	0.272	34%	0.337	S	S	.	.	H	α-helix	trans	-57.8	-48.7	176.8	175.2	-102.1	0	0	0	111.9	A56 K57 S65 S93 A94 T95 A101	A56-F97 HydrophobicContact CB-CE1 4.42Å; K57-F97 HydrophobicContact CB-CD1 3.99Å; K57-F97 HydrophobicContact CB-CE1 4.26Å; K57-F97 HydrophobicContact CB-CG 4.47Å; K57-F97 HydrophobicContact CG-CD1 4.44Å; K57-F97 HydrophobicContact CG-CG 4.42Å; S65-F97 WeakPolarHBondContact OG-CE1 3.02Å; S93-F97 WeakPolarHBondContact O-CB 3.5Å; S93-F97 PolarHBondContact O-N 3.26Å; A94-F97 PolarHBondContact O-N 3.22Å; T95-F97 VanDerWaalsContact C-N 3.32Å; T95-F97 PolarHBondContact O-N 3.34Å; F97-A101 PolarHBondContact O-N 2.99Å
98	I	93.8	Very high	89.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-73.8	-40.9	-179.8	-69.7	-58.3	0	0	0	112.5	V53 A56 I68 I72 W84 A94 T95 A96 K100 A101 A102	V53-I98 HydrophobicContact CB-CG1 4.22Å; V53-I98 HydrophobicContact CG1-CB 4.45Å; V53-I98 HydrophobicContact CG1-CG1 3.78Å; V53-I98 HydrophobicContact CG2-CG1 4.04Å; V53-I98 HydrophobicContact CG2-CG2 4.42Å; A56-I98 HydrophobicContact CB-CD1 4.02Å; I68-I98 HydrophobicContact CB-CD1 4.4Å; I68-I98 HydrophobicContact CD1-CD1 4.29Å; I68-I98 HydrophobicContact CG2-CD1 4.17Å; I68-I98 HydrophobicContact CG2-CG1 4.33Å; I68-I98 HydrophobicContact CG2-CG2 3.58Å; I72-I98 HydrophobicContact CD1-CG2 3.49Å; I72-I98 VanDerWaalsContact CD1-CG2 3.49Å; W84-I98 HydrophobicContact CH2-CG2 4.33Å; A94-I98 PolarHBondContact O-N 3.42Å; T95-I98 PolarHBondContact O-N 3.07Å; A96-I98 PolarHBondContact O-N 3.32Å; I98-K100 VanDerWaalsContact C-N 3.3Å; I98-K100 PolarHBondContact O-N 3.17Å; I98-A101 WeakPolarHBondContact O-CB 3.25Å; I98-A101 PolarHBondContact O-N 2.8Å; I98-A101 VanDerWaalsContact O-N 3.12Å; I98-A102 PolarHBondContact O-N 3.01Å
99	L	92.9	Very high	88.1	Confident	54 Å²	54	72 Å²	72	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-65.3	-36.1	178.2	-70.7	175.3	0	0	0	111.5	L79 W84 T95 A101 A102 V103	L79-L99 HydrophobicContact CD2-CD2 4.01Å; W84-L99 HydrophobicContact CZ2-CD1 4.34Å; W84-L99 HydrophobicContact CZ2-CD2 4.01Å; W84-L99 HydrophobicContact CZ2-CG 4.08Å; T95-L99 WeakPolarHBondContact O-CB 3.31Å; T95-L99 VanDerWaalsContact O-CG 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.5Å; T95-L99 PolarHBondContact O-N 2.95Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.02Å; L99-A102 PolarHBondContact O-N 3.19Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 2.81Å
100	K	91.9	Very high	87.8	Confident	150 Å²	150	70 Å²	70	65%	0.652	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-45.4	171	-177.7	-178.4	177.9	-175.9	0	111.2	A96 I98 A102 V103 L104	A96-K100 WeakPolarHBondContact O-CB 3.41Å; A96-K100 PolarHBondContact O-N 3.23Å; I98-K100 VanDerWaalsContact C-N 3.3Å; I98-K100 PolarHBondContact O-N 3.17Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 3.25Å; K100-V103 PolarHBondContact O-N 3.34Å; K100-L104 HydrophobicContact CG-CD1 4.36Å; K100-L104 WeakPolarHBondContact O-CG 3.4Å; K100-L104 PolarHBondContact O-N 3.02Å
101	A	90.3	Very high	87.4	Confident	18 Å²	18	67.8 Å²	67.8	15%	0.149	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-41.2	175.5	0	0	0	0	0	111.7	S69 F97 I98 L99 L104 H105	S69-A101 WeakPolarHBondContact OG-CB 3.03Å; F97-A101 PolarHBondContact O-N 2.99Å; I98-A101 WeakPolarHBondContact O-CB 3.25Å; I98-A101 PolarHBondContact O-N 2.8Å; I98-A101 VanDerWaalsContact O-N 3.12Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.02Å; A101-L104 PolarHBondContact O-N 3.05Å; A101-H105 WeakPolarHBondContact O-CB 3.32Å; A101-H105 PolarHBondContact O-CD2 3.2Å; A101-H105 PolarHBondContact O-N 3.12Å
102	A	91	Very high	87	Confident	6 Å²	6	69.5 Å²	69.5	5%	0.05	38%	0.381	C	S	.	.	H	α-helix	trans	-64.7	-43.3	177.7	0	0	0	0	0	112.8	S69 I98 L99 K100 H105 L106	S69-A102 PolarHBondContact OG-N 2.66Å; S69-A102 VanDerWaalsContact OG-N 3.17Å; I98-A102 PolarHBondContact O-N 3.01Å; L99-A102 PolarHBondContact O-N 3.19Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 3.25Å; A102-H105 PolarHBondContact O-N 3.3Å; A102-L106 WeakPolarHBondContact O-CG 3.25Å; A102-L106 PolarHBondContact O-N 3.43Å
103	V	89.9	Confident	86.6	Confident	75 Å²	75	69.2 Å²	69.2	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.1	171.4	0	0	0	0	110.8	L99 K100 H105 L106 F107	L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 2.81Å; K100-V103 PolarHBondContact O-N 3.34Å; V103-H105 PolarHBondContact O-N 3.32Å; V103-L106 PolarHBondContact O-N 2.82Å; V103-F107 HydrophobicContact CG1-CD2 3.92Å; V103-F107 HydrophobicContact CG1-CE2 3.58Å; V103-F107 WeakPolarHBondContact O-CD2 3.28Å; V103-F107 PolarHBondContact O-N 2.84Å
104	L	87.7	Confident	86.1	Confident	111 Å²	111	69.4 Å²	69.4	58%	0.581	37%	0.37	S	S	*	.	H	α-helix	trans	-59	-36.8	175.6	-72.2	171.3	0	0	0	111.9	K100 A101 F107 S108	K100-L104 HydrophobicContact CG-CD1 4.36Å; K100-L104 WeakPolarHBondContact O-CG 3.4Å; K100-L104 PolarHBondContact O-N 3.02Å; A101-L104 PolarHBondContact O-N 3.05Å; L104-F107 PolarHBondContact O-N 3.36Å; L104-S108 PolarHBondContact O-N 2.97Å
105	H	80.5	Confident	85.6	Confident	32 Å²	32	74.1 Å²	74.1	15%	0.148	40%	0.395	C	S	.	.	H	α-helix	trans	-69.3	-37.8	177.4	-83.7	-51.8	0	0	0	113.6	R66 I73 A101 A102 V103 F107 S108 L109	R66-H105 WeakPolarHBondContact CB-NE2 3.43Å; R66-H105 VanDerWaalsContact CG-NE2 3.33Å; R66-H105 WeakPolarHBondContact CG-NE2 2.76Å; R66-H105 PolarHBondContact NE-CE1 3.33Å; R66-H105 PolarHBondContact NE-NE2 2.69Å; I73-H105 HydrophobicContact CD1-CB 4.19Å; A101-H105 WeakPolarHBondContact O-CB 3.32Å; A101-H105 PolarHBondContact O-CD2 3.2Å; A101-H105 PolarHBondContact O-N 3.12Å; A102-H105 PolarHBondContact O-N 3.3Å; V103-H105 PolarHBondContact O-N 3.32Å; H105-F107 VanDerWaalsContact C-N 3.27Å; H105-F107 PolarHBondContact O-N 3.42Å; H105-S108 WeakPolarHBondContact CA-OG 3.45Å; H105-S108 PolarHBondContact O-N 2.98Å; H105-S108 VanDerWaalsContact O-N 3.13Å; H105-S108 PolarHBondContact O-OG 3.3Å; H105-L109 PolarHBondContact O-N 3.16Å
106	L	82.4	Confident	85	Confident	90 Å²	90	78.7 Å²	78.7	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-34.3	175.1	-73.6	169	0	0	0	112.7	I73 A102 V103 S108	I73-L106 HydrophobicContact CD1-CD2 3.96Å; I73-L106 HydrophobicContact CD1-CG 3.91Å; I73-L106 HydrophobicContact CG1-CD2 4.07Å; I73-L106 HydrophobicContact CG1-CG 4.2Å; I73-L106 HydrophobicContact CG2-CD2 3.97Å; A102-L106 WeakPolarHBondContact O-CG 3.25Å; A102-L106 PolarHBondContact O-N 3.43Å; V103-L106 PolarHBondContact O-N 2.82Å; L106-S108 VanDerWaalsContact C-N 3.34Å
107	F	77.6	Confident	84.3	Confident	175 Å²	175	80.4 Å²	80.4	77%	0.768	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.5	176.6	-68.5	-66.5	0	0	0	114.3	V103 L104 H105	V103-F107 HydrophobicContact CG1-CD2 3.92Å; V103-F107 HydrophobicContact CG1-CE2 3.58Å; V103-F107 WeakPolarHBondContact O-CD2 3.28Å; V103-F107 PolarHBondContact O-N 2.84Å; L104-F107 PolarHBondContact O-N 3.36Å; H105-F107 VanDerWaalsContact C-N 3.27Å; H105-F107 PolarHBondContact O-N 3.42Å
108	S	71.9	Confident	83.7	Confident	83 Å²	83	81.9 Å²	81.9	58%	0.58	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.7	176.4	69.1	0	0	0	0	113.9	L104 H105 L106	L104-S108 PolarHBondContact O-N 2.97Å; H105-S108 WeakPolarHBondContact CA-OG 3.45Å; H105-S108 PolarHBondContact O-N 2.98Å; H105-S108 VanDerWaalsContact O-N 3.13Å; H105-S108 PolarHBondContact O-OG 3.3Å; L106-S108 VanDerWaalsContact C-N 3.34Å
109	L	54.3	Low	82.8	Confident	189 Å²	189	89.4 Å²	89.4	99%	0.99	47%	0.466	S	S	*	.			trans	-92.6	0	175	-73.3	167.4	0	0	0	110.2	H105	H105-L109 PolarHBondContact O-N 3.16Å

Retrieved 109 of 109 residues in 68.7 ms (Link to these results)

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