A0A077ZHU0_TRITR Loading...

ENTH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.1	Low	64	Low	227 Å²	227	107.2 Å²	107.2	100%	1.118	60%	0.598	S	S	*	*				0	-13.1	0	-81.4	-166.8	-87	0	0	114.8	N3	M1-N3 PolarHBondContact O-N 2.95Å
2	A	62.6	Low	64	Low	73 Å²	73	102.1 Å²	102.1	60%	0.603	58%	0.58	S	S	*	*	H	α-helix	trans	-67.2	-29.4	-177.2	0	0	0	0	0	115.6	L4 L5 S6	A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.22Å; A2-L5 PolarHBondContact O-N 2.96Å; A2-S6 PolarHBondContact O-N 2.95Å
3	N	62.3	Low	63.9	Low	143 Å²	143	99.2 Å²	99.2	77%	0.765	57%	0.57	S	S	*	*	H	α-helix	trans	-71.6	-22.8	-173.1	-62.9	-7.1	0	0	0	114.5	M1 S6 G7	M1-N3 PolarHBondContact O-N 2.95Å; N3-S6 PolarHBondContact O-OG 3.22Å; N3-S6 VanDerWaalsContact O-OG 3.09Å; N3-G7 PolarHBondContact O-N 3.35Å
4	L	61.9	Low	63.6	Low	136 Å²	136	99 Å²	99	71%	0.712	57%	0.566	S	S	*	*	H	α-helix	trans	-76.9	-39.2	177.7	-166.8	72.2	0	0	0	110.9	A2 G7 I8	A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 PolarHBondContact O-N 3.22Å; L4-G7 PolarHBondContact O-N 2.94Å; L4-I8 HydrophobicContact CG-CD1 4.44Å; L4-I8 WeakPolarHBondContact O-CG1 3.21Å; L4-I8 PolarHBondContact O-N 3.03Å; L4-I8 VanDerWaalsContact O-N 3.11Å
5	L	64	Low	63.4	Low	114 Å²	114	98.3 Å²	98.3	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-68.1	-40.3	178.7	-72.9	169.6	0	0	0	111.9	A2 G7 I8 Q9	A2-L5 PolarHBondContact O-N 2.96Å; L5-G7 VanDerWaalsContact C-N 3.3Å; L5-G7 PolarHBondContact O-N 3.11Å; L5-I8 PolarHBondContact O-N 3.39Å; L5-Q9 WeakPolarHBondContact O-CG 3.35Å; L5-Q9 PolarHBondContact O-N 3.04Å
6	S	68.1	Low	63.2	Low	61 Å²	61	98.1 Å²	98.1	43%	0.427	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-34.6	176.4	59.2	0	0	0	0	112.6	A2 N3 Q9 S10	A2-S6 PolarHBondContact O-N 2.95Å; N3-S6 PolarHBondContact O-OG 3.22Å; N3-S6 VanDerWaalsContact O-OG 3.09Å; S6-Q9 PolarHBondContact O-N 3.34Å; S6-S10 PolarHBondContact O-N 3.38Å; S6-S10 PolarHBondContact O-OG 3.48Å
7	G	67.9	Low	62.9	Low	27 Å²	27	97.4 Å²	97.4	28%	0.278	56%	0.562	S	S	.	*	H	α-helix	trans	-67.9	-41.5	174.6	0	0	0	0	0	112.8	N3 L4 L5 Q9 S10 I11	N3-G7 PolarHBondContact O-N 3.35Å; L4-G7 PolarHBondContact O-N 2.94Å; L5-G7 VanDerWaalsContact C-N 3.3Å; L5-G7 PolarHBondContact O-N 3.11Å; G7-Q9 VanDerWaalsContact C-N 3.34Å; G7-S10 PolarHBondContact O-N 3.21Å; G7-S10 PolarHBondContact O-OG 3.46Å; G7-S10 VanDerWaalsContact O-OG 3.05Å; G7-I11 VanDerWaalsContact O-CG1 3.28Å; G7-I11 WeakPolarHBondContact O-CG1 3.38Å; G7-I11 PolarHBondContact O-N 2.87Å
8	I	66.3	Low	62.7	Low	102 Å²	102	98.1 Å²	98.1	52%	0.523	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-38.5	175.1	-65.3	168.9	0	0	0	110.6	L4 L5 I11 A12	L4-I8 HydrophobicContact CG-CD1 4.44Å; L4-I8 WeakPolarHBondContact O-CG1 3.21Å; L4-I8 PolarHBondContact O-N 3.03Å; L4-I8 VanDerWaalsContact O-N 3.11Å; L5-I8 PolarHBondContact O-N 3.39Å; I8-I11 PolarHBondContact O-N 3.43Å; I8-A12 WeakPolarHBondContact O-CB 3.18Å; I8-A12 PolarHBondContact O-N 2.92Å
9	Q	66	Low	62.3	Low	141 Å²	141	97.5 Å²	97.5	66%	0.659	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-39.6	177	-78.3	179.7	-25.6	0	0	112.8	L5 S6 G7 A12 S13	L5-Q9 WeakPolarHBondContact O-CG 3.35Å; L5-Q9 PolarHBondContact O-N 3.04Å; S6-Q9 PolarHBondContact O-N 3.34Å; G7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-A12 PolarHBondContact O-N 3.48Å; Q9-S13 WeakPolarHBondContact O-CB 3.27Å; Q9-S13 PolarHBondContact O-N 3.19Å; Q9-S13 PolarHBondContact O-OG 2.86Å
10	S	65.9	Low	62.5	Low	55 Å²	55	97.9 Å²	97.9	39%	0.385	56%	0.563	S	S	.	*	H	α-helix	trans	-72.1	-35.6	177.2	66.3	0	0	0	0	112.4	S6 G7 S13 N14	S6-S10 PolarHBondContact O-N 3.38Å; S6-S10 PolarHBondContact O-OG 3.48Å; G7-S10 PolarHBondContact O-N 3.21Å; G7-S10 PolarHBondContact O-OG 3.46Å; G7-S10 VanDerWaalsContact O-OG 3.05Å; S10-S13 WeakPolarHBondContact CA-OG 3.39Å; S10-S13 PolarHBondContact O-OG 3.03Å; S10-S13 VanDerWaalsContact O-OG 3.08Å; S10-N14 VanDerWaalsContact O-CB 3.23Å; S10-N14 WeakPolarHBondContact O-CB 3.44Å; S10-N14 PolarHBondContact O-N 3.41Å; S10-N14 PolarHBondContact O-ND2 3.46Å; S10-N14 VanDerWaalsContact O-ND2 3.12Å
11	I	62.3	Low	63	Low	100 Å²	100	97.6 Å²	97.6	51%	0.513	56%	0.563	S	S	.	*	H	α-helix	trans	-64.9	-44.9	171.2	-67.5	166.5	0	0	0	109.8	G7 I8 N14 I15	G7-I11 VanDerWaalsContact O-CG1 3.28Å; G7-I11 WeakPolarHBondContact O-CG1 3.38Å; G7-I11 PolarHBondContact O-N 2.87Å; I8-I11 PolarHBondContact O-N 3.43Å; I11-N14 PolarHBondContact O-N 2.93Å; I11-I15 HydrophobicContact CG2-CD1 3.59Å; I11-I15 HydrophobicContact CG2-CG1 4.29Å; I11-I15 WeakPolarHBondContact O-CB 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.27Å; I11-I15 PolarHBondContact O-N 3.04Å
12	A	64.3	Low	63.8	Low	46 Å²	46	90.2 Å²	90.2	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-42.1	178.1	0	0	0	0	0	112.1	I8 Q9 I15 T16	I8-A12 WeakPolarHBondContact O-CB 3.18Å; I8-A12 PolarHBondContact O-N 2.92Å; Q9-A12 PolarHBondContact O-N 3.48Å; A12-I15 PolarHBondContact O-N 2.64Å; A12-T16 WeakPolarHBondContact O-CB 3.43Å; A12-T16 PolarHBondContact O-N 3Å; A12-T16 PolarHBondContact O-OG1 2.75Å
13	S	62.2	Low	64.5	Low	64 Å²	64	91.3 Å²	91.3	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-70.1	-35.9	177.3	65.7	0	0	0	0	112.4	Q9 S10 T16 S17	Q9-S13 WeakPolarHBondContact O-CB 3.27Å; Q9-S13 PolarHBondContact O-N 3.19Å; Q9-S13 PolarHBondContact O-OG 2.86Å; S10-S13 WeakPolarHBondContact CA-OG 3.39Å; S10-S13 PolarHBondContact O-OG 3.03Å; S10-S13 VanDerWaalsContact O-OG 3.08Å; S13-T16 PolarHBondContact O-N 3.42Å; S13-S17 VanDerWaalsContact O-CB 3.31Å; S13-S17 WeakPolarHBondContact O-CB 3.46Å; S13-S17 PolarHBondContact O-N 3.49Å; S13-S17 PolarHBondContact O-OG 3.28Å
14	N	60.1	Low	65.2	Low	97 Å²	97	88.5 Å²	88.5	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-41.1	173	-71.5	-21.9	0	0	0	111.7	S10 I11 S17 T18	S10-N14 VanDerWaalsContact O-CB 3.23Å; S10-N14 WeakPolarHBondContact O-CB 3.44Å; S10-N14 PolarHBondContact O-N 3.41Å; S10-N14 PolarHBondContact O-ND2 3.46Å; S10-N14 VanDerWaalsContact O-ND2 3.12Å; I11-N14 PolarHBondContact O-N 2.93Å; N14-S17 WeakPolarHBondContact CA-OG 3.02Å; N14-S17 PolarHBondContact O-OG 3.4Å; N14-T18 WeakPolarHBondContact O-CB 3.49Å; N14-T18 WeakPolarHBondContact O-CG2 3.44Å; N14-T18 PolarHBondContact O-N 3.26Å; N14-T18 PolarHBondContact O-OG1 3.32Å
15	I	60.4	Low	66	Low	89 Å²	89	87 Å²	87	46%	0.456	48%	0.484	S	S	.	.	H	α-helix	trans	-65.9	-42	173.4	-67.1	169.4	0	0	0	110.1	I11 A12 S17 T18 L19	I11-I15 HydrophobicContact CG2-CD1 3.59Å; I11-I15 HydrophobicContact CG2-CG1 4.29Å; I11-I15 WeakPolarHBondContact O-CB 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.27Å; I11-I15 PolarHBondContact O-N 3.04Å; A12-I15 PolarHBondContact O-N 2.64Å; I15-S17 PolarHBondContact O-N 2.7Å; I15-T18 WeakPolarHBondContact CA-OG1 3.46Å; I15-T18 PolarHBondContact O-N 3.08Å; I15-T18 PolarHBondContact O-OG1 3.15Å; I15-L19 HydrophobicContact CG2-CD1 3.94Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CB 3.29Å; I15-L19 VanDerWaalsContact O-CG 3.23Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 2.83Å
16	T	60.5	Low	66.7	Low	95 Å²	95	85.1 Å²	85.1	58%	0.583	47%	0.471	S	S	*	.	H	α-helix	trans	-67.9	-36.1	179.8	-56.3	0	0	0	0	112	A12 S13	A12-T16 WeakPolarHBondContact O-CB 3.43Å; A12-T16 PolarHBondContact O-N 3Å; A12-T16 PolarHBondContact O-OG1 2.75Å; S13-T16 PolarHBondContact O-N 3.42Å
17	S	57.7	Low	67.2	Low	85 Å²	85	87.4 Å²	87.4	59%	0.594	48%	0.479	S	S	*	.	H	α-helix	trans	-77.8	-32.5	176.2	52.1	0	0	0	0	112.9	S13 N14 I15	S13-S17 VanDerWaalsContact O-CB 3.31Å; S13-S17 WeakPolarHBondContact O-CB 3.46Å; S13-S17 PolarHBondContact O-N 3.49Å; S13-S17 PolarHBondContact O-OG 3.28Å; N14-S17 WeakPolarHBondContact CA-OG 3.02Å; N14-S17 PolarHBondContact O-OG 3.4Å; I15-S17 PolarHBondContact O-N 2.7Å
18	T	59.7	Low	67.6	Low	110 Å²	110	88.8 Å²	88.8	68%	0.675	49%	0.487	S	S	*	.	H	α-helix	trans	-72.9	-30.3	172.8	52.7	0	0	0	0	112.4	N14 I15 N20	N14-T18 WeakPolarHBondContact O-CB 3.49Å; N14-T18 WeakPolarHBondContact O-CG2 3.44Å; N14-T18 PolarHBondContact O-N 3.26Å; N14-T18 PolarHBondContact O-OG1 3.32Å; I15-T18 WeakPolarHBondContact CA-OG1 3.46Å; I15-T18 PolarHBondContact O-N 3.08Å; I15-T18 PolarHBondContact O-OG1 3.15Å; T18-N20 VanDerWaalsContact C-N 3.27Å; T18-N20 PolarHBondContact O-N 3.32Å
19	L	55.3	Low	68.2	Low	87 Å²	87	86.4 Å²	86.4	46%	0.455	48%	0.475	S	S	.	.	S	Bend	trans	-73	84.3	168	-69.7	176	0	0	0	109.8	I15 I24	I15-L19 HydrophobicContact CG2-CD1 3.94Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CB 3.29Å; I15-L19 VanDerWaalsContact O-CG 3.23Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 2.83Å; L19-I24 HydrophobicContact CB-CD1 3.96Å; L19-I24 HydrophobicContact CB-CG1 4.06Å; L19-I24 WeakPolarHBondContact O-CD1 3.32Å
20	N	65	Low	68.6	Low	106 Å²	106	86.1 Å²	86.1	57%	0.567	47%	0.472	S	S	*	.			trans	-54.7	141.4	177.8	-143.8	-4.4	0	0	0	110.5	T18 Y22 E23 I24	T18-N20 VanDerWaalsContact C-N 3.27Å; T18-N20 PolarHBondContact O-N 3.32Å; N20-Y22 PolarHBondContact O-N 3.37Å; N20-E23 PolarHBondContact O-N 3.35Å; N20-I24 PolarHBondContact O-N 3.07Å
21	T	74	Confident	69.1	Low	91 Å²	91	87.5 Å²	87.5	56%	0.558	48%	0.478	S	S	*	.	H	α-helix	trans	-55.8	-24.8	-178.4	-43.6	0	0	0	0	112.7	R25	T21-R25 WeakPolarHBondContact O-CB 3.3Å; T21-R25 WeakPolarHBondContact O-CG 3.49Å; T21-R25 PolarHBondContact O-N 3.25Å; T21-R25 VanDerWaalsContact O-N 3.13Å; T21-R25 PolarHBondContact O-NE 3.11Å
22	Y	74.1	Confident	69.5	Low	72 Å²	72	86.8 Å²	86.8	28%	0.282	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-48.9	172.3	174	-100.3	0	0	0	112.7	N20 I24 R25 K26 W54	N20-Y22 PolarHBondContact O-N 3.37Å; Y22-I24 PolarHBondContact O-N 3.3Å; Y22-R25 PolarHBondContact O-N 2.87Å; Y22-K26 HydrophobicContact CE1-CD 4.06Å; Y22-K26 WeakPolarHBondContact O-CB 3.3Å; Y22-K26 PolarHBondContact O-N 3.03Å; Y22-W54 HydrophobicContact CD2-CH2 4.19Å; Y22-W54 AromaticContact CD2-CZ2 3.94Å; Y22-W54 HydrophobicContact CD2-CZ2 3.94Å; Y22-W54 AromaticContact CE2-CZ2 4Å; Y22-W54 HydrophobicContact CE2-CZ2 4Å
23	E	76.3	Confident	69.8	Low	97 Å²	97	85.8 Å²	85.8	45%	0.453	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-39.4	-179.2	-69.2	-58.7	146	0	0	111.2	N20 K26 L27	N20-E23 PolarHBondContact O-N 3.35Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-L27 WeakPolarHBondContact O-CB 3.41Å; E23-L27 PolarHBondContact O-N 3.49Å
24	I	78.2	Confident	69.9	Low	84 Å²	84	86.3 Å²	86.3	43%	0.431	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-45.3	174.4	-62.4	175.6	0	0	0	110.6	L19 N20 Y22 L27 A28	L19-I24 HydrophobicContact CB-CD1 3.96Å; L19-I24 HydrophobicContact CB-CG1 4.06Å; L19-I24 WeakPolarHBondContact O-CD1 3.32Å; N20-I24 PolarHBondContact O-N 3.07Å; Y22-I24 PolarHBondContact O-N 3.3Å; I24-L27 PolarHBondContact O-N 2.89Å; I24-A28 WeakPolarHBondContact O-CB 3.23Å; I24-A28 PolarHBondContact O-N 3.49Å
25	R	76.9	Confident	70.5	Confident	103 Å²	103	86.9 Å²	86.9	39%	0.389	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-42.1	176.8	-81.2	-175.7	-78.8	159.2	-3.3	112.1	T21 Y22 L27 A28 D29 D52	T21-R25 WeakPolarHBondContact O-CB 3.3Å; T21-R25 WeakPolarHBondContact O-CG 3.49Å; T21-R25 PolarHBondContact O-N 3.25Å; T21-R25 VanDerWaalsContact O-N 3.13Å; T21-R25 PolarHBondContact O-NE 3.11Å; Y22-R25 PolarHBondContact O-N 2.87Å; R25-L27 VanDerWaalsContact C-N 3.33Å; R25-L27 PolarHBondContact O-N 2.84Å; R25-A28 PolarHBondContact O-N 3.18Å; R25-D29 WeakPolarHBondContact O-CB 3.42Å; R25-D29 PolarHBondContact O-N 3.42Å; R25-D52 IonicContact CZ-OD1 3.37Å; R25-D52 IonicContact NH1-OD1 3.55Å; R25-D52 PolarHBondContact NH1-OD1 3.18Å; R25-D52 IonicContact NH2-OD1 2.7Å
26	K	79	Confident	71.1	Confident	75 Å²	75	87.1 Å²	87.1	33%	0.326	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-39.6	176.4	-170.4	175.8	-172.9	171.2	0	112.1	Y22 E23 K30	Y22-K26 HydrophobicContact CE1-CD 4.06Å; Y22-K26 WeakPolarHBondContact O-CB 3.3Å; Y22-K26 PolarHBondContact O-N 3.03Å; E23-K26 PolarHBondContact O-N 2.99Å; K26-K30 WeakPolarHBondContact O-CG 3.36Å; K26-K30 PolarHBondContact O-N 3.39Å
27	L	78.3	Confident	72	Confident	110 Å²	110	89.3 Å²	89.3	58%	0.576	48%	0.484	S	S	*	.	H	α-helix	trans	-67.3	-44.2	174.4	-175.3	63.9	0	0	0	111.3	E23 I24 R25 D29 K30 V31	E23-L27 WeakPolarHBondContact O-CB 3.41Å; E23-L27 PolarHBondContact O-N 3.49Å; I24-L27 PolarHBondContact O-N 2.89Å; R25-L27 VanDerWaalsContact C-N 3.33Å; R25-L27 PolarHBondContact O-N 2.84Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.3Å; L27-K30 PolarHBondContact O-N 2.8Å; L27-V31 WeakPolarHBondContact O-CG2 3.5Å; L27-V31 PolarHBondContact O-N 2.92Å
28	A	77.5	Confident	73.2	Confident	56 Å²	56	87 Å²	87	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-42.2	176	0	0	0	0	0	111.9	I24 R25 V31 Q32	I24-A28 WeakPolarHBondContact O-CB 3.23Å; I24-A28 PolarHBondContact O-N 3.49Å; R25-A28 PolarHBondContact O-N 3.18Å; A28-V31 PolarHBondContact O-N 2.94Å; A28-Q32 WeakPolarHBondContact O-CB 3.33Å; A28-Q32 PolarHBondContact O-N 2.97Å
29	D	78.7	Confident	74.7	Confident	51 Å²	51	83.8 Å²	83.8	27%	0.273	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-42.7	175.1	-79.7	-30.3	0	0	0	111.4	R25 L27 Q32 N33	R25-D29 WeakPolarHBondContact O-CB 3.42Å; R25-D29 PolarHBondContact O-N 3.42Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.3Å; D29-Q32 PolarHBondContact O-N 2.71Å; D29-N33 WeakPolarHBondContact O-CB 3.32Å; D29-N33 PolarHBondContact O-N 2.75Å; D29-N33 PolarHBondContact O-ND2 3.18Å; D29-N33 PolarHBondContact O-OD1 3.2Å
30	K	74.7	Confident	76.4	Confident	135 Å²	135	85.9 Å²	85.9	59%	0.587	45%	0.451	S	S	*	.	H	α-helix	trans	-61.8	-44.1	175.4	-76.8	179.5	178.7	-174.9	0	112.3	K26 L27 N33 A34	K26-K30 WeakPolarHBondContact O-CG 3.36Å; K26-K30 PolarHBondContact O-N 3.39Å; L27-K30 PolarHBondContact O-N 2.8Å; K30-N33 PolarHBondContact O-N 3.1Å; K30-A34 PolarHBondContact O-N 3.26Å; K30-A34 VanDerWaalsContact O-N 3.08Å
31	V	75.8	Confident	77.8	Confident	84 Å²	84	81.3 Å²	81.3	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-64.3	-44.9	176.3	173.3	0	0	0	0	110.4	L27 A28 N33 A34 V35	L27-V31 WeakPolarHBondContact O-CG2 3.5Å; L27-V31 PolarHBondContact O-N 2.92Å; A28-V31 PolarHBondContact O-N 2.94Å; V31-N33 VanDerWaalsContact C-N 3.3Å; V31-N33 PolarHBondContact O-N 3.42Å; V31-A34 PolarHBondContact O-N 2.99Å; V31-V35 HydrophobicContact CG1-CG2 4.33Å; V31-V35 VanDerWaalsContact O-CG2 3.32Å; V31-V35 WeakPolarHBondContact O-CG2 3.46Å; V31-V35 PolarHBondContact O-N 3.43Å
32	Q	71.4	Confident	78.7	Confident	85 Å²	85	78.7 Å²	78.7	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-40.9	177.2	-173	177.2	19.9	0	0	111.6	A28 D29 A34 V35 M36	A28-Q32 WeakPolarHBondContact O-CB 3.33Å; A28-Q32 PolarHBondContact O-N 2.97Å; D29-Q32 PolarHBondContact O-N 2.71Å; Q32-A34 VanDerWaalsContact C-N 3.35Å; Q32-V35 PolarHBondContact O-N 2.95Å; Q32-M36 HydrophobicContact CG-CG 4.13Å; Q32-M36 VanDerWaalsContact O-CB 3.27Å; Q32-M36 WeakPolarHBondContact O-CB 3.41Å; Q32-M36 VanDerWaalsContact O-CG 3.23Å; Q32-M36 WeakPolarHBondContact O-CG 3.47Å; Q32-M36 PolarHBondContact O-N 3.47Å
33	N	70.8	Confident	79.7	Confident	26 Å²	26	76.5 Å²	76.5	14%	0.139	40%	0.403	C	S	.	.	H	α-helix	trans	-65.1	-39.4	178.3	-65	-11	0	0	0	112	D29 K30 V31 N37 Y38 S43 R46	D29-N33 WeakPolarHBondContact O-CB 3.32Å; D29-N33 PolarHBondContact O-N 2.75Å; D29-N33 PolarHBondContact O-ND2 3.18Å; D29-N33 PolarHBondContact O-OD1 3.2Å; K30-N33 PolarHBondContact O-N 3.1Å; V31-N33 VanDerWaalsContact C-N 3.3Å; V31-N33 PolarHBondContact O-N 3.42Å; N33-N37 PolarHBondContact O-N 3.42Å; N33-N37 VanDerWaalsContact O-N 3.1Å; N33-Y38 HydrophobicContact CB-CD2 4.23Å; N33-Y38 PolarHBondContact O-N 3.3Å; N33-Y38 VanDerWaalsContact O-N 3.17Å; N33-Y38 WeakPolarHBondContact OD1-CD2 3.5Å; N33-S43 PolarHBondContact ND2-OG 2.97Å; N33-R46 PolarHBondContact OD1-NE 3.36Å; N33-R46 VanDerWaalsContact OD1-NE 3.14Å
34	A	64.4	Low	80.6	Confident	74 Å²	74	73.6 Å²	73.6	61%	0.612	39%	0.389	S	S	*	.	H	α-helix	trans	-67.2	-40.4	175.4	0	0	0	0	0	112.5	K30 V31 Q32	K30-A34 PolarHBondContact O-N 3.26Å; K30-A34 VanDerWaalsContact O-N 3.08Å; V31-A34 PolarHBondContact O-N 2.99Å; Q32-A34 VanDerWaalsContact C-N 3.35Å
35	V	70.8	Confident	81.4	Confident	110 Å²	110	69.6 Å²	69.6	67%	0.667	37%	0.368	S	S	*	.	H	α-helix	trans	-68.2	-37.2	177.5	172.6	0	0	0	0	111.6	V31 Q32	V31-V35 HydrophobicContact CG1-CG2 4.33Å; V31-V35 VanDerWaalsContact O-CG2 3.32Å; V31-V35 WeakPolarHBondContact O-CG2 3.46Å; V31-V35 PolarHBondContact O-N 3.43Å; Q32-V35 PolarHBondContact O-N 2.95Å
36	M	73.8	Confident	82.3	Confident	93 Å²	93	65.6 Å²	65.6	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-88.2	-2.1	-176.9	-65.9	-66.2	-66.4	0	0	113.9	Q32 Y38	Q32-M36 HydrophobicContact CG-CG 4.13Å; Q32-M36 VanDerWaalsContact O-CB 3.27Å; Q32-M36 WeakPolarHBondContact O-CB 3.41Å; Q32-M36 VanDerWaalsContact O-CG 3.23Å; Q32-M36 WeakPolarHBondContact O-CG 3.47Å; Q32-M36 PolarHBondContact O-N 3.47Å; M36-Y38 HydrophobicContact CB-CD1 4.29Å; M36-Y38 HydrophobicContact CB-CD2 3.77Å; M36-Y38 HydrophobicContact CB-CE1 4.02Å; M36-Y38 HydrophobicContact CB-CE2 3.42Å; M36-Y38 VanDerWaalsContact CB-CE2 3.42Å; M36-Y38 HydrophobicContact CB-CG 4.17Å; M36-Y38 WeakPolarHBondContact CE-OH 3.36Å; M36-Y38 HydrophobicContact CG-CE2 3.82Å; M36-Y38 PolarHBondContact O-N 3.45Å
37	N	79.4	Confident	83	Confident	142 Å²	142	66.5 Å²	66.5	76%	0.759	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	40	-174.5	-63.2	-50.9	0	0	0	113.5	N33	N33-N37 PolarHBondContact O-N 3.42Å; N33-N37 VanDerWaalsContact O-N 3.1Å
38	Y	84.2	Confident	83.8	Confident	35 Å²	35	61.3 Å²	61.3	14%	0.137	33%	0.331	C	S	.	.			trans	-68.4	140.9	176.4	-68.2	-46.8	0	0	0	110.7	N33 M36 E42 M80	N33-Y38 HydrophobicContact CB-CD2 4.23Å; N33-Y38 PolarHBondContact O-N 3.3Å; N33-Y38 VanDerWaalsContact O-N 3.17Å; N33-Y38 WeakPolarHBondContact OD1-CD2 3.5Å; M36-Y38 HydrophobicContact CB-CD1 4.29Å; M36-Y38 HydrophobicContact CB-CD2 3.77Å; M36-Y38 HydrophobicContact CB-CE1 4.02Å; M36-Y38 HydrophobicContact CB-CE2 3.42Å; M36-Y38 VanDerWaalsContact CB-CE2 3.42Å; M36-Y38 HydrophobicContact CB-CG 4.17Å; M36-Y38 WeakPolarHBondContact CE-OH 3.36Å; M36-Y38 HydrophobicContact CG-CE2 3.82Å; M36-Y38 PolarHBondContact O-N 3.45Å; Y38-E42 VanDerWaalsContact CA-OE2 3.26Å; Y38-E42 WeakPolarHBondContact CA-OE2 3.38Å; Y38-E42 HydrophobicContact CD1-CB 4.49Å; Y38-E42 WeakPolarHBondContact CD1-OE2 3.34Å; Y38-E42 HydrophobicContact CG-CB 4.49Å; Y38-M80 HydrophobicContact CD1-CE 3.62Å; Y38-M80 HydrophobicContact CE1-CE 3.52Å; Y38-M80 HydrophobicContact CG-CE 4.45Å
39	T	90	Very high	84.6	Confident	44 Å²	44	58.6 Å²	58.6	27%	0.27	31%	0.309	S	S	.	.			trans	-67.7	167	175.3	80.4	0	0	0	0	111.1	I41 E42 S43 E76	T39-I41 PolarHBondContact O-N 3.49Å; T39-I41 PolarHBondContact OG1-N 2.86Å; T39-E42 PolarHBondContact N-OE2 3.02Å; T39-E42 PolarHBondContact O-N 2.99Å; T39-E42 WeakPolarHBondContact OG1-CG 3.19Å; T39-E42 PolarHBondContact OG1-N 2.68Å; T39-S43 WeakPolarHBondContact O-CB 3.37Å; T39-S43 PolarHBondContact O-N 3.49Å; T39-S43 PolarHBondContact O-OG 2.9Å; T39-E76 WeakPolarHBondContact CB-OE2 3.31Å; T39-E76 HydrophobicContact CG2-CG 4.45Å; T39-E76 VanDerWaalsContact CG2-OE2 3.3Å; T39-E76 WeakPolarHBondContact CG2-OE2 3.38Å; T39-E76 PolarHBondContact OG1-OE2 2.88Å
40	E	90.9	Very high	85.3	Confident	131 Å²	131	57.2 Å²	57.2	61%	0.612	30%	0.302	S	S	*	.	H	α-helix	trans	-57.2	-40.4	176.5	-169.6	-168.6	152.7	0	0	111.2	S43 K44	E40-S43 WeakPolarHBondContact O-CB 3.37Å; E40-S43 PolarHBondContact O-N 2.86Å; E40-K44 WeakPolarHBondContact O-CG 3.47Å; E40-K44 PolarHBondContact O-N 3.09Å; E40-K44 WeakPolarHBondContact OE1-CE 3.43Å; E40-K44 IonicContact OE1-NZ 2.68Å; E40-K44 PolarHBondContact OE1-NZ 2.68Å
41	I	93.9	Very high	86	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.046	29%	0.293	C	S	.	.	H	α-helix	trans	-71.1	-42.7	-178.2	-59.5	-52.3	0	0	0	111	T39 S43 K44 V45 A67 Q73 A77	T39-I41 PolarHBondContact O-N 3.49Å; T39-I41 PolarHBondContact OG1-N 2.86Å; I41-S43 VanDerWaalsContact C-N 3.29Å; I41-S43 PolarHBondContact O-N 3.22Å; I41-K44 PolarHBondContact O-N 3.2Å; I41-V45 WeakPolarHBondContact O-CG2 3.4Å; I41-V45 PolarHBondContact O-N 3.27Å; I41-A67 HydrophobicContact CD1-CB 3.6Å; I41-A67 HydrophobicContact CG1-CB 4.2Å; I41-A67 HydrophobicContact CG2-CB 4.16Å; I41-Q73 HydrophobicContact CG1-CB 4.03Å; I41-Q73 HydrophobicContact CG1-CG 3.86Å; I41-A77 HydrophobicContact CG2-CB 3.6Å
42	E	94.3	Very high	86.6	Confident	36 Å²	36	51.2 Å²	51.2	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-41.8	173.6	-70.3	-173.7	130.3	0	0	111.8	Y38 T39 K44 V45 R46 E76 M80	Y38-E42 VanDerWaalsContact CA-OE2 3.26Å; Y38-E42 WeakPolarHBondContact CA-OE2 3.38Å; Y38-E42 HydrophobicContact CD1-CB 4.49Å; Y38-E42 WeakPolarHBondContact CD1-OE2 3.34Å; Y38-E42 HydrophobicContact CG-CB 4.49Å; T39-E42 PolarHBondContact N-OE2 3.02Å; T39-E42 PolarHBondContact O-N 2.99Å; T39-E42 WeakPolarHBondContact OG1-CG 3.19Å; T39-E42 PolarHBondContact OG1-N 2.68Å; E42-K44 PolarHBondContact O-N 2.67Å; E42-V45 PolarHBondContact O-N 3.18Å; E42-R46 WeakPolarHBondContact O-CG 3.28Å; E42-R46 PolarHBondContact O-N 3.37Å; E42-E76 HydrophobicContact CG-CB 4.22Å; E42-M80 HydrophobicContact CB-CB 4.34Å; E42-M80 HydrophobicContact CB-CE 3.86Å; E42-M80 HydrophobicContact CB-CG 4.11Å; E42-M80 HydrophobicContact CG-CB 4.04Å; E42-M80 HydrophobicContact CG-CE 3.86Å; E42-M80 HydrophobicContact CG-CG 4.33Å; E42-M80 VanDerWaalsContact OE1-CE 3.27Å; E42-M80 WeakPolarHBondContact OE1-CE 3.34Å
43	S	93.6	Very high	87.1	Confident	26 Å²	26	52.3 Å²	52.3	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-42.9	176.4	-64	0	0	0	0	111.8	N33 T39 E40 I41 R46 E47	N33-S43 PolarHBondContact ND2-OG 2.97Å; T39-S43 WeakPolarHBondContact O-CB 3.37Å; T39-S43 PolarHBondContact O-N 3.49Å; T39-S43 PolarHBondContact O-OG 2.9Å; E40-S43 WeakPolarHBondContact O-CB 3.37Å; E40-S43 PolarHBondContact O-N 2.86Å; I41-S43 VanDerWaalsContact C-N 3.29Å; I41-S43 PolarHBondContact O-N 3.22Å; S43-R46 WeakPolarHBondContact O-CB 3.15Å; S43-R46 PolarHBondContact O-N 2.87Å; S43-E47 PolarHBondContact O-N 2.77Å
44	K	95.3	Very high	87.9	Confident	37 Å²	37	57.5 Å²	57.5	16%	0.161	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-41.2	175.1	-73.8	175.6	-176.4	-177.1	0	112.4	E40 I41 E42 R46 E47 A48 L60 E63 I64	E40-K44 WeakPolarHBondContact O-CG 3.47Å; E40-K44 PolarHBondContact O-N 3.09Å; E40-K44 WeakPolarHBondContact OE1-CE 3.43Å; E40-K44 IonicContact OE1-NZ 2.68Å; E40-K44 PolarHBondContact OE1-NZ 2.68Å; I41-K44 PolarHBondContact O-N 3.2Å; E42-K44 PolarHBondContact O-N 2.67Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 3.5Å; K44-E47 PolarHBondContact O-N 2.98Å; K44-A48 WeakPolarHBondContact O-CB 3.38Å; K44-A48 PolarHBondContact O-N 2.71Å; K44-L60 HydrophobicContact CB-CD1 3.95Å; K44-L60 HydrophobicContact CG-CD1 4.05Å; K44-E63 VanDerWaalsContact CE-OE2 3.23Å; K44-E63 WeakPolarHBondContact CE-OE2 3.32Å; K44-E63 IonicContact NZ-OE2 2.84Å; K44-E63 PolarHBondContact NZ-OE2 3.27Å; K44-I64 HydrophobicContact CB-CD1 4.33Å; K44-I64 HydrophobicContact CB-CG1 4.01Å
45	V	96.8	Very high	88.9	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-40.3	174.6	174.9	0	0	0	0	110.9	I41 E42 A48 T49 I64 A77 M80 L81 L102	I41-V45 WeakPolarHBondContact O-CG2 3.4Å; I41-V45 PolarHBondContact O-N 3.27Å; E42-V45 PolarHBondContact O-N 3.18Å; V45-A48 PolarHBondContact O-N 3.39Å; V45-T49 WeakPolarHBondContact O-CB 3.5Å; V45-T49 WeakPolarHBondContact O-CG2 3.21Å; V45-T49 PolarHBondContact O-N 3.24Å; V45-T49 PolarHBondContact O-OG1 3.37Å; V45-I64 HydrophobicContact CG2-CD1 4.16Å; V45-I64 HydrophobicContact CG2-CG1 4.4Å; V45-I64 HydrophobicContact CG2-CG2 3.97Å; V45-A77 HydrophobicContact CG2-CB 4.41Å; V45-M80 HydrophobicContact CB-CB 4.33Å; V45-M80 HydrophobicContact CB-CG 4.02Å; V45-M80 HydrophobicContact CG1-CB 4.16Å; V45-M80 HydrophobicContact CG1-CG 3.9Å; V45-L81 HydrophobicContact CG1-CB 4.13Å; V45-L102 HydrophobicContact CG1-CD2 4.22Å
46	R	95	Very high	89.7	Confident	18 Å²	18	51.8 Å²	51.8	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-41.7	175.8	-73.2	177.9	62	82.2	8.2	112.3	N33 E42 S43 K44 T49 N50 M80 R84	N33-R46 PolarHBondContact OD1-NE 3.36Å; N33-R46 VanDerWaalsContact OD1-NE 3.14Å; E42-R46 WeakPolarHBondContact O-CG 3.28Å; E42-R46 PolarHBondContact O-N 3.37Å; S43-R46 WeakPolarHBondContact O-CB 3.15Å; S43-R46 PolarHBondContact O-N 2.87Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 3.5Å; R46-T49 CarbonylContact O-C 3.4Å; R46-T49 PolarHBondContact O-N 3.2Å; R46-T49 PolarHBondContact O-OG1 3.16Å; R46-N50 PolarHBondContact O-N 3.01Å; R46-M80 HydrophobicContact CG-CG 4.25Å; R46-M80 HydrophobicContact CG-SD 4.04Å; R46-R84 PolarHBondContact O-NH2 3.41Å
47	E	94	Very high	90.5	Very high	94 Å²	94	51.1 Å²	51.1	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.4	-174.9	176.8	177.7	0	0	111	S43 K44 T49 N50 L60	S43-E47 PolarHBondContact O-N 2.77Å; K44-E47 PolarHBondContact O-N 2.98Å; E47-T49 PolarHBondContact O-N 3.07Å; E47-N50 WeakPolarHBondContact O-CB 3.48Å; E47-N50 VanDerWaalsContact O-CG 3.28Å; E47-N50 PolarHBondContact O-N 2.97Å; E47-N50 PolarHBondContact O-ND2 2.68Å; E47-L60 HydrophobicContact CB-CD2 4.1Å; E47-L60 HydrophobicContact CG-CD2 3.82Å
48	A	95.2	Very high	91.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-27.6	177.9	0	0	0	0	0	113.1	K44 V45 P56 L60 I64 L102	K44-A48 WeakPolarHBondContact O-CB 3.38Å; K44-A48 PolarHBondContact O-N 2.71Å; V45-A48 PolarHBondContact O-N 3.39Å; A48-P56 HydrophobicContact CB-CB 4.07Å; A48-L60 HydrophobicContact CB-CD2 3.71Å; A48-L60 HydrophobicContact CB-CG 4.15Å; A48-I64 HydrophobicContact CB-CD1 3.82Å; A48-L102 HydrophobicContact CB-CD2 3.93Å
49	T	94.4	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	19.4	-178	59.6	0	0	0	0	113.1	V45 R46 E47 L81 R84 R95 S99 L102	V45-T49 WeakPolarHBondContact O-CB 3.5Å; V45-T49 WeakPolarHBondContact O-CG2 3.21Å; V45-T49 PolarHBondContact O-N 3.24Å; V45-T49 PolarHBondContact O-OG1 3.37Å; R46-T49 CarbonylContact O-C 3.4Å; R46-T49 PolarHBondContact O-N 3.2Å; R46-T49 PolarHBondContact O-OG1 3.16Å; E47-T49 PolarHBondContact O-N 3.07Å; T49-L81 HydrophobicContact CG2-CD1 4.38Å; T49-R84 PolarHBondContact O-NH2 3.34Å; T49-R84 PolarHBondContact OG1-NE 2.99Å; T49-R95 WeakPolarHBondContact O-CG 3.29Å; T49-S99 WeakPolarHBondContact CG2-OG 3.38Å; T49-L102 HydrophobicContact CG2-CD2 4.15Å
50	N	92.6	Very high	91.7	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.112	27%	0.265	C	S	.	.			trans	-65.2	166.7	177.6	77.8	18.2	0	0	0	112.1	R46 E47 D52 K98	R46-N50 PolarHBondContact O-N 3.01Å; E47-N50 WeakPolarHBondContact O-CB 3.48Å; E47-N50 VanDerWaalsContact O-CG 3.28Å; E47-N50 PolarHBondContact O-N 2.97Å; E47-N50 PolarHBondContact O-ND2 2.68Å; N50-D52 VanDerWaalsContact C-N 3.27Å; N50-D52 PolarHBondContact ND2-OD2 3.45Å; N50-D52 PolarHBondContact O-N 3.31Å; N50-D52 WeakPolarHBondContact OD1-CB 3.46Å; N50-D52 PolarHBondContact OD1-N 3.31Å; N50-D52 VanDerWaalsContact OD1-N 3.13Å; N50-D52 PolarHBondContact OD1-OD2 3.45Å; N50-K98 WeakPolarHBondContact O-CD 3.47Å; N50-K98 WeakPolarHBondContact O-CE 3.44Å; N50-K98 PolarHBondContact O-NZ 3.11Å; N50-K98 PolarHBondContact OD1-NZ 3.47Å
51	E	89.3	Confident	92	Very high	86 Å²	86	42.1 Å²	42.1	40%	0.402	24%	0.241	S	C	.	.	S	Bend	trans	-86.5	12.7	-175.2	-66.4	-175.7	171.2	0	0	114.6	S92 I94 R95	E51-S92 WeakPolarHBondContact OE1-CB 3.34Å; E51-S92 PolarHBondContact OE1-OG 2.92Å; E51-I94 WeakPolarHBondContact O-CD1 3.32Å; E51-R95 HydrophobicContact CG-CB 4.38Å; E51-R95 IonicContact OE1-CZ 2.67Å; E51-R95 IonicContact OE1-NE 3.02Å; E51-R95 IonicContact OE1-NH2 3.94Å; E51-R95 PolarHBondContact OE1-NH2 3.2Å
52	D	88.6	Confident	92.1	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	25%	0.25	C	C	.	.			trans	-65.5	148.4	176.8	-64.5	-34.6	0	0	0	111.7	R25 N50 W54 I94 K98	R25-D52 IonicContact CZ-OD1 3.37Å; R25-D52 IonicContact NH1-OD1 3.55Å; R25-D52 PolarHBondContact NH1-OD1 3.18Å; R25-D52 IonicContact NH2-OD1 2.7Å; N50-D52 VanDerWaalsContact C-N 3.27Å; N50-D52 PolarHBondContact ND2-OD2 3.45Å; N50-D52 PolarHBondContact O-N 3.31Å; N50-D52 WeakPolarHBondContact OD1-CB 3.46Å; N50-D52 PolarHBondContact OD1-N 3.31Å; N50-D52 VanDerWaalsContact OD1-N 3.13Å; N50-D52 PolarHBondContact OD1-OD2 3.45Å; D52-W54 VanDerWaalsContact C-N 3.27Å; D52-W54 HydrophobicContact CB-CD2 3.87Å; D52-W54 VanDerWaalsContact CB-CE2 3.49Å; D52-W54 HydrophobicContact CB-CE3 4.17Å; D52-W54 HydrophobicContact CB-CH2 3.79Å; D52-W54 HydrophobicContact CB-CZ2 3.46Å; D52-W54 VanDerWaalsContact CB-CZ2 3.46Å; D52-W54 HydrophobicContact CB-CZ3 4.13Å; D52-W54 PolarHBondContact O-N 2.88Å; D52-W54 VanDerWaalsContact OD2-CZ2 3.31Å; D52-W54 WeakPolarHBondContact OD2-CZ2 3.3Å; D52-I94 WeakPolarHBondContact O-CG2 3.3Å; D52-K98 WeakPolarHBondContact O-CE 3.49Å; D52-K98 PolarHBondContact O-NZ 2.84Å
53	P	82.4	Confident	92.1	Very high	108 Å²	108	45.8 Å²	45.8	70%	0.701	26%	0.261	S	S	*	.	S	Bend	trans	-70.8	-17.9	-174.3	25.8	-33.8	0	0	0	114.6
54	W	86.7	Confident	92.3	Very high	136 Å²	136	44.6 Å²	44.6	52%	0.515	25%	0.253	S	S	.	.	S	Bend	trans	-88.6	150	176.8	55.5	85.5	0	0	0	112	Y22 D52 K98	Y22-W54 HydrophobicContact CD2-CH2 4.19Å; Y22-W54 AromaticContact CD2-CZ2 3.94Å; Y22-W54 HydrophobicContact CD2-CZ2 3.94Å; Y22-W54 AromaticContact CE2-CZ2 4Å; Y22-W54 HydrophobicContact CE2-CZ2 4Å; D52-W54 VanDerWaalsContact C-N 3.27Å; D52-W54 HydrophobicContact CB-CD2 3.87Å; D52-W54 VanDerWaalsContact CB-CE2 3.49Å; D52-W54 HydrophobicContact CB-CE3 4.17Å; D52-W54 HydrophobicContact CB-CH2 3.79Å; D52-W54 HydrophobicContact CB-CZ2 3.46Å; D52-W54 VanDerWaalsContact CB-CZ2 3.46Å; D52-W54 HydrophobicContact CB-CZ3 4.13Å; D52-W54 PolarHBondContact O-N 2.88Å; D52-W54 VanDerWaalsContact OD2-CZ2 3.31Å; D52-W54 WeakPolarHBondContact OD2-CZ2 3.3Å; W54-K98 WeakPolarHBondContact O-CE 3.29Å; W54-K98 PolarHBondContact O-NZ 3.49Å
55	G	85	Confident	92.4	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-66.9	163	-179.5	0	0	0	0	0	114.2
56	P	89	Confident	92.3	Very high	20 Å²	20	46.8 Å²	46.8	13%	0.13	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.7	145.2	173.1	26	-34.3	0	0	0	111.2	A48 M61 I101	A48-P56 HydrophobicContact CB-CB 4.07Å; P56-M61 HydrophobicContact CB-CG 3.89Å; P56-M61 HydrophobicContact CB-SD 4.08Å; P56-M61 HydrophobicContact CG-CE 4.36Å; P56-M61 HydrophobicContact CG-CG 4.11Å; P56-M61 HydrophobicContact CG-SD 3.62Å; P56-I101 HydrophobicContact CG-CG2 3.84Å
57	T	90.4	Very high	92.3	Very high	79 Å²	79	46.1 Å²	46.1	49%	0.485	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-75.2	144.8	-178.5	64.9	0	0	0	0	111	L60 M61	T57-L60 PolarHBondContact O-N 3.49Å; T57-L60 VanDerWaalsContact OG1-CB 3.24Å; T57-L60 WeakPolarHBondContact OG1-CB 3.47Å; T57-M61 WeakPolarHBondContact O-CG 3.36Å; T57-M61 PolarHBondContact O-N 3.14Å
58	G	91.3	Very high	92.4	Very high	38 Å²	38	41.6 Å²	41.6	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-54.4	-45	177.2	0	0	0	0	0	114.2	M61 S62	G58-M61 PolarHBondContact O-N 3.44Å; G58-S62 WeakPolarHBondContact O-CB 3.48Å; G58-S62 PolarHBondContact O-N 2.88Å
59	P	93.5	Very high	92.3	Very high	91 Å²	91	46.5 Å²	46.5	59%	0.591	27%	0.267	S	S	*	.	H	α-helix	trans	-58.3	-45.9	174.7	-27.7	36.6	0	0	0	113.4	M61 S62 E63	P59-M61 PolarHBondContact O-N 3.21Å; P59-S62 WeakPolarHBondContact O-CB 3.26Å; P59-S62 PolarHBondContact O-N 3.05Å; P59-S62 VanDerWaalsContact O-N 3.16Å; P59-E63 PolarHBondContact O-N 3.43Å
60	L	94.4	Very high	92.3	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-45.4	179.7	-179	61.7	0	0	0	111.6	K44 E47 A48 T57 S62 E63 I64	K44-L60 HydrophobicContact CB-CD1 3.95Å; K44-L60 HydrophobicContact CG-CD1 4.05Å; E47-L60 HydrophobicContact CB-CD2 4.1Å; E47-L60 HydrophobicContact CG-CD2 3.82Å; A48-L60 HydrophobicContact CB-CD2 3.71Å; A48-L60 HydrophobicContact CB-CG 4.15Å; T57-L60 PolarHBondContact O-N 3.49Å; T57-L60 VanDerWaalsContact OG1-CB 3.24Å; T57-L60 WeakPolarHBondContact OG1-CB 3.47Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 3.2Å; L60-E63 PolarHBondContact O-N 3.04Å; L60-I64 HydrophobicContact CG-CD1 4.34Å; L60-I64 WeakPolarHBondContact O-CG1 3.49Å; L60-I64 PolarHBondContact O-N 3.16Å; L60-I64 VanDerWaalsContact O-N 3.11Å
61	M	96.9	Very high	92.2	Very high	20 Å²	20	56.7 Å²	56.7	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-36.9	175.3	-64	-168.5	-74.2	0	0	112	P56 T57 G58 P59 I64 A65 I101 L102 Y105	P56-M61 HydrophobicContact CB-CG 3.89Å; P56-M61 HydrophobicContact CB-SD 4.08Å; P56-M61 HydrophobicContact CG-CE 4.36Å; P56-M61 HydrophobicContact CG-CG 4.11Å; P56-M61 HydrophobicContact CG-SD 3.62Å; T57-M61 WeakPolarHBondContact O-CG 3.36Å; T57-M61 PolarHBondContact O-N 3.14Å; G58-M61 PolarHBondContact O-N 3.44Å; P59-M61 PolarHBondContact O-N 3.21Å; M61-I64 PolarHBondContact O-N 3.44Å; M61-A65 VanDerWaalsContact O-CB 3.31Å; M61-A65 WeakPolarHBondContact O-CB 3.36Å; M61-A65 PolarHBondContact O-N 3.31Å; M61-I101 HydrophobicContact SD-CG2 4.1Å; M61-L102 HydrophobicContact CB-CD1 4.27Å; M61-L102 HydrophobicContact CG-CD1 3.98Å; M61-Y105 VanDerWaalsContact C-CE1 3.45Å; M61-Y105 HydrophobicContact CB-CD1 3.55Å; M61-Y105 HydrophobicContact CB-CD2 4.29Å; M61-Y105 HydrophobicContact CB-CE1 3.65Å; M61-Y105 HydrophobicContact CB-CE2 4.38Å; M61-Y105 HydrophobicContact CB-CG 3.88Å; M61-Y105 HydrophobicContact CE-CD2 3.96Å; M61-Y105 HydrophobicContact CE-CE2 4.32Å; M61-Y105 HydrophobicContact CE-CG 4.36Å; M61-Y105 WeakPolarHBondContact O-CE1 3.44Å; M61-Y105 HydrophobicContact SD-CD1 4.5Å; M61-Y105 HydrophobicContact SD-CD2 4.1Å; M61-Y105 HydrophobicContact SD-CG 3.9Å
62	S	95.1	Very high	92.2	Very high	33 Å²	33	57.9 Å²	57.9	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-43.7	174.8	177.5	0	0	0	0	111.5	G58 P59 L60 A65 H66	G58-S62 WeakPolarHBondContact O-CB 3.48Å; G58-S62 PolarHBondContact O-N 2.88Å; P59-S62 WeakPolarHBondContact O-CB 3.26Å; P59-S62 PolarHBondContact O-N 3.05Å; P59-S62 VanDerWaalsContact O-N 3.16Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 3.2Å; S62-A65 WeakPolarHBondContact O-CB 3.47Å; S62-A65 PolarHBondContact O-N 3.44Å; S62-H66 PolarHBondContact O-N 2.96Å; S62-H66 PolarHBondContact O-ND1 2.93Å; S62-H66 PolarHBondContact OG-CE1 3.22Å
63	E	95.5	Very high	92.4	Very high	89 Å²	89	60.6 Å²	60.6	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-47.8	175.9	-73.6	-179.6	-144.9	0	0	112	K44 P59 L60 A65 H66 A67	K44-E63 VanDerWaalsContact CE-OE2 3.23Å; K44-E63 WeakPolarHBondContact CE-OE2 3.32Å; K44-E63 IonicContact NZ-OE2 2.84Å; K44-E63 PolarHBondContact NZ-OE2 3.27Å; P59-E63 PolarHBondContact O-N 3.43Å; L60-E63 PolarHBondContact O-N 3.04Å; E63-A65 VanDerWaalsContact C-N 3.29Å; E63-A65 PolarHBondContact O-N 2.9Å; E63-H66 PolarHBondContact O-N 3.38Å; E63-H66 VanDerWaalsContact O-N 3.13Å; E63-A67 PolarHBondContact O-N 2.87Å
64	I	97.2	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-41.6	176.1	-58.7	165.1	0	0	0	109.9	K44 V45 A48 L60 M61 H66 A67 T68 A77 L102 L106	K44-I64 HydrophobicContact CB-CD1 4.33Å; K44-I64 HydrophobicContact CB-CG1 4.01Å; V45-I64 HydrophobicContact CG2-CD1 4.16Å; V45-I64 HydrophobicContact CG2-CG1 4.4Å; V45-I64 HydrophobicContact CG2-CG2 3.97Å; A48-I64 HydrophobicContact CB-CD1 3.82Å; L60-I64 HydrophobicContact CG-CD1 4.34Å; L60-I64 WeakPolarHBondContact O-CG1 3.49Å; L60-I64 PolarHBondContact O-N 3.16Å; L60-I64 VanDerWaalsContact O-N 3.11Å; M61-I64 PolarHBondContact O-N 3.44Å; I64-H66 VanDerWaalsContact C-N 3.32Å; I64-H66 PolarHBondContact O-N 3.25Å; I64-A67 WeakPolarHBondContact O-CB 3.35Å; I64-A67 PolarHBondContact O-N 3.38Å; I64-A67 VanDerWaalsContact O-N 3.13Å; I64-T68 WeakPolarHBondContact O-CG2 3.31Å; I64-T68 PolarHBondContact O-N 2.72Å; I64-A77 HydrophobicContact CG2-CB 4.45Å; I64-L102 HydrophobicContact CB-CD1 4.46Å; I64-L102 HydrophobicContact CD1-CD1 3.96Å; I64-L102 HydrophobicContact CD1-CD2 3.92Å; I64-L102 HydrophobicContact CG2-CD1 4.38Å; I64-L106 HydrophobicContact CB-CD2 4.37Å; I64-L106 HydrophobicContact CG2-CD1 4.23Å; I64-L106 HydrophobicContact CG2-CD2 3.93Å
65	A	96.4	Very high	93.5	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-37.2	176.6	0	0	0	0	0	112.7	M61 S62 E63 T68 N69 Y105 L106 N109	M61-A65 VanDerWaalsContact O-CB 3.31Å; M61-A65 WeakPolarHBondContact O-CB 3.36Å; M61-A65 PolarHBondContact O-N 3.31Å; S62-A65 WeakPolarHBondContact O-CB 3.47Å; S62-A65 PolarHBondContact O-N 3.44Å; E63-A65 VanDerWaalsContact C-N 3.29Å; E63-A65 PolarHBondContact O-N 2.9Å; A65-T68 PolarHBondContact O-N 2.92Å; A65-T68 PolarHBondContact O-OG1 2.97Å; A65-N69 PolarHBondContact O-ND2 3.38Å; A65-N69 VanDerWaalsContact O-ND2 3.09Å; A65-Y105 HydrophobicContact CB-CD1 4.31Å; A65-Y105 HydrophobicContact CB-CE1 3.9Å; A65-L106 VanDerWaalsContact CA-CD2 3.45Å; A65-L106 HydrophobicContact CB-CD2 3.77Å; A65-N109 HydrophobicContact CB-CB 4.22Å
66	H	95	Very high	93.9	Very high	81 Å²	81	53.7 Å²	53.7	38%	0.375	29%	0.294	S	S	.	.	H	α-helix	trans	-66.1	-43.6	172.6	-72.8	85.3	0	0	0	111.2	S62 E63 I64 T68 N69 K173	S62-H66 PolarHBondContact O-N 2.96Å; S62-H66 PolarHBondContact O-ND1 2.93Å; S62-H66 PolarHBondContact OG-CE1 3.22Å; E63-H66 PolarHBondContact O-N 3.38Å; E63-H66 VanDerWaalsContact O-N 3.13Å; I64-H66 VanDerWaalsContact C-N 3.32Å; I64-H66 PolarHBondContact O-N 3.25Å; H66-T68 PolarHBondContact O-N 3.41Å; H66-N69 WeakPolarHBondContact O-CB 3.26Å; H66-N69 PolarHBondContact O-N 3.13Å; H66-N69 PolarHBondContact O-ND2 3.02Å; H66-K173 VanDerWaalsContact CE1-CE 3.5Å; H66-K173 WeakPolarHBondContact CE1-CE 3.39Å; H66-K173 PolarHBondContact CE1-NZ 3.08Å; H66-K173 WeakPolarHBondContact NE2-CE 3.41Å; H66-K173 PolarHBondContact NE2-NZ 3.44Å
67	A	95.1	Very high	94.3	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-57.5	-33.5	177.7	0	0	0	0	0	112.6	I41 E63 I64 N69 V70 Q73	I41-A67 HydrophobicContact CD1-CB 3.6Å; I41-A67 HydrophobicContact CG1-CB 4.2Å; I41-A67 HydrophobicContact CG2-CB 4.16Å; E63-A67 PolarHBondContact O-N 2.87Å; I64-A67 WeakPolarHBondContact O-CB 3.35Å; I64-A67 PolarHBondContact O-N 3.38Å; I64-A67 VanDerWaalsContact O-N 3.13Å; A67-N69 PolarHBondContact O-N 3.13Å; A67-N69 VanDerWaalsContact O-N 3.07Å; A67-V70 PolarHBondContact O-N 3.26Å; A67-Q73 HydrophobicContact CB-CB 4.15Å; A67-Q73 WeakPolarHBondContact O-CB 3.45Å
68	T	95.8	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.9	175.2	68.2	0	0	0	0	114.8	I64 A65 H66 F74 L106 G110 S111 V114	I64-T68 WeakPolarHBondContact O-CG2 3.31Å; I64-T68 PolarHBondContact O-N 2.72Å; A65-T68 PolarHBondContact O-N 2.92Å; A65-T68 PolarHBondContact O-OG1 2.97Å; H66-T68 PolarHBondContact O-N 3.41Å; T68-F74 WeakPolarHBondContact O-CD2 3.49Å; T68-L106 HydrophobicContact CG2-CD1 4.3Å; T68-L106 HydrophobicContact CG2-CD2 3.97Å; T68-G110 WeakPolarHBondContact OG1-CA 3.39Å; T68-S111 WeakPolarHBondContact O-CB 3.43Å; T68-S111 PolarHBondContact O-OG 3.46Å; T68-S111 PolarHBondContact OG1-N 3.48Å; T68-V114 HydrophobicContact CG2-CG2 3.82Å
69	N	94.1	Very high	94.8	Very high	103 Å²	103	50.2 Å²	50.2	55%	0.551	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-16	175.2	-60.5	-74.9	0	0	0	112.9	A65 H66 A67 S111	A65-N69 PolarHBondContact O-ND2 3.38Å; A65-N69 VanDerWaalsContact O-ND2 3.09Å; H66-N69 WeakPolarHBondContact O-CB 3.26Å; H66-N69 PolarHBondContact O-N 3.13Å; H66-N69 PolarHBondContact O-ND2 3.02Å; A67-N69 PolarHBondContact O-N 3.13Å; A67-N69 VanDerWaalsContact O-N 3.07Å; N69-S111 WeakPolarHBondContact OD1-CA 2.89Å; N69-S111 WeakPolarHBondContact OD1-CB 3.2Å
70	V	94.2	Very high	94.9	Very high	69 Å²	69	46 Å²	46	42%	0.418	24%	0.244	S	C	.	.	S	Bend	trans	-90.2	133.2	176.2	179.7	0	0	0	0	108.6	A67 D72 Q73 F74	A67-V70 PolarHBondContact O-N 3.26Å; V70-D72 PolarHBondContact O-N 3.44Å; V70-Q73 HydrophobicContact CB-CB 4.09Å; V70-Q73 HydrophobicContact CB-CG 4.21Å; V70-Q73 HydrophobicContact CG1-CB 4.34Å; V70-Q73 HydrophobicContact CG1-CG 4.05Å; V70-Q73 PolarHBondContact O-N 2.88Å; V70-F74 WeakPolarHBondContact O-CB 3.41Å; V70-F74 PolarHBondContact O-N 2.97Å
71	Y	89.4	Confident	95.1	Very high	167 Å²	167	45.3 Å²	45.3	66%	0.655	24%	0.24	S	C	*	.	H	α-helix	trans	-61.3	-47	-168.4	-173.3	-90	0	0	0	113.3
72	D	90.4	Very high	95.1	Very high	110 Å²	110	44.8 Å²	44.8	59%	0.588	24%	0.237	S	C	*	.	H	α-helix	trans	-73.3	-39.9	-177.2	-57.4	-28.4	0	0	0	111.8	V70 F74 S75	V70-D72 PolarHBondContact O-N 3.44Å; D72-F74 VanDerWaalsContact C-N 3.28Å; D72-F74 PolarHBondContact O-N 3.46Å; D72-S75 PolarHBondContact O-OG 3.47Å
73	Q	93.5	Very high	95.1	Very high	65 Å²	65	47.8 Å²	47.8	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-71.2	-25	179	-64.5	-176.4	-11.1	0	0	112.9	I41 A67 V70 A77	I41-Q73 HydrophobicContact CG1-CB 4.03Å; I41-Q73 HydrophobicContact CG1-CG 3.86Å; A67-Q73 HydrophobicContact CB-CB 4.15Å; A67-Q73 WeakPolarHBondContact O-CB 3.45Å; V70-Q73 HydrophobicContact CB-CB 4.09Å; V70-Q73 HydrophobicContact CB-CG 4.21Å; V70-Q73 HydrophobicContact CG1-CB 4.34Å; V70-Q73 HydrophobicContact CG1-CG 4.05Å; V70-Q73 PolarHBondContact O-N 2.88Å; Q73-A77 VanDerWaalsContact O-CB 3.28Å; Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 2.89Å
74	F	96.2	Very high	95.1	Very high	14 Å²	14	44.6 Å²	44.6	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-49	177.9	171.8	-92.9	0	0	0	111.9	T68 V70 D72 E76 A77 M78 R113 V114 N117	T68-F74 WeakPolarHBondContact O-CD2 3.49Å; V70-F74 WeakPolarHBondContact O-CB 3.41Å; V70-F74 PolarHBondContact O-N 2.97Å; D72-F74 VanDerWaalsContact C-N 3.28Å; D72-F74 PolarHBondContact O-N 3.46Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.28Å; F74-A77 PolarHBondContact O-N 3.02Å; F74-M78 HydrophobicContact CD2-CG 4.08Å; F74-M78 HydrophobicContact CE1-CG 4.2Å; F74-M78 HydrophobicContact CE2-CG 3.64Å; F74-M78 HydrophobicContact CE2-SD 4.45Å; F74-M78 HydrophobicContact CZ-CG 3.71Å; F74-M78 WeakPolarHBondContact O-CB 3.46Å; F74-M78 WeakPolarHBondContact O-CG 3.3Å; F74-M78 PolarHBondContact O-N 2.89Å; F74-R113 HydrophobicContact CD2-CB 4.04Å; F74-R113 HydrophobicContact CE1-CB 4.22Å; F74-R113 HydrophobicContact CE2-CB 3.49Å; F74-R113 VanDerWaalsContact CE2-CB 3.49Å; F74-R113 HydrophobicContact CZ-CB 3.59Å; F74-R113 WeakPolarHBondContact CZ-O 3.37Å; F74-V114 HydrophobicContact CD2-CG2 4.48Å; F74-V114 HydrophobicContact CE2-CG2 3.88Å; F74-N117 HydrophobicContact CZ-CB 3.96Å
75	S	94.5	Very high	95	Very high	68 Å²	68	44.6 Å²	44.6	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-42.2	-178.1	48	0	0	0	0	110.8	D72 A79	D72-S75 PolarHBondContact O-OG 3.47Å; S75-A79 WeakPolarHBondContact O-CB 3.45Å; S75-A79 PolarHBondContact O-N 3.23Å
76	E	94.3	Very high	94.9	Very high	59 Å²	59	47 Å²	47	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-50.8	175.6	-64.9	175.6	-166.5	0	0	112.2	T39 E42 F74 M78 A79 M80	T39-E76 WeakPolarHBondContact CB-OE2 3.31Å; T39-E76 HydrophobicContact CG2-CG 4.45Å; T39-E76 VanDerWaalsContact CG2-OE2 3.3Å; T39-E76 WeakPolarHBondContact CG2-OE2 3.38Å; T39-E76 PolarHBondContact OG1-OE2 2.88Å; E42-E76 HydrophobicContact CG-CB 4.22Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.28Å; E76-M78 PolarHBondContact O-N 3.28Å; E76-A79 PolarHBondContact O-N 3.19Å; E76-M80 WeakPolarHBondContact O-CB 3.41Å; E76-M80 PolarHBondContact O-N 3.42Å
77	A	96.5	Very high	94.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-49.5	-179.6	0	0	0	0	0	111.7	I41 V45 I64 Q73 F74 L81	I41-A77 HydrophobicContact CG2-CB 3.6Å; V45-A77 HydrophobicContact CG2-CB 4.41Å; I64-A77 HydrophobicContact CG2-CB 4.45Å; Q73-A77 VanDerWaalsContact O-CB 3.28Å; Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 2.89Å; F74-A77 PolarHBondContact O-N 3.02Å; A77-L81 VanDerWaalsContact O-CB 3.28Å; A77-L81 WeakPolarHBondContact O-CB 3.1Å; A77-L81 PolarHBondContact O-N 3.25Å
78	M	97.5	Very high	94.4	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-70.7	-43.5	-177.3	-67	-54.9	-62.6	0	0	111.4	F74 E76 M80 L81 W82 L103 L106 V114 N117	F74-M78 HydrophobicContact CD2-CG 4.08Å; F74-M78 HydrophobicContact CE1-CG 4.2Å; F74-M78 HydrophobicContact CE2-CG 3.64Å; F74-M78 HydrophobicContact CE2-SD 4.45Å; F74-M78 HydrophobicContact CZ-CG 3.71Å; F74-M78 WeakPolarHBondContact O-CB 3.46Å; F74-M78 WeakPolarHBondContact O-CG 3.3Å; F74-M78 PolarHBondContact O-N 2.89Å; E76-M78 PolarHBondContact O-N 3.28Å; M78-M80 VanDerWaalsContact C-N 3.33Å; M78-M80 PolarHBondContact O-N 3.04Å; M78-L81 HydrophobicContact CE-CD2 4.31Å; M78-L81 PolarHBondContact O-N 2.95Å; M78-L81 HydrophobicContact SD-CD2 4.33Å; M78-W82 HydrophobicContact CE-CZ2 3.9Å; M78-W82 PolarHBondContact O-N 2.88Å; M78-L103 HydrophobicContact CE-CD1 4.18Å; M78-L106 HydrophobicContact SD-CD1 4.25Å; M78-V114 HydrophobicContact CE-CG1 4.24Å; M78-V114 HydrophobicContact SD-CG1 4.25Å; M78-V114 HydrophobicContact SD-CG2 4.25Å; M78-N117 HydrophobicContact CE-CB 4.48Å; M78-N117 VanDerWaalsContact CE-OD1 3.3Å; M78-N117 WeakPolarHBondContact CE-OD1 3.38Å
79	A	95.8	Very high	93.9	Very high	60 Å²	60	55.6 Å²	55.6	50%	0.496	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-44.6	177.5	0	0	0	0	0	111.6	S75 E76 K83	S75-A79 WeakPolarHBondContact O-CB 3.45Å; S75-A79 PolarHBondContact O-N 3.23Å; E76-A79 PolarHBondContact O-N 3.19Å; A79-K83 VanDerWaalsContact O-CB 3.31Å; A79-K83 WeakPolarHBondContact O-CB 3.34Å; A79-K83 PolarHBondContact O-N 3.46Å
80	M	96.2	Very high	93.5	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-39.8	177.1	-172.2	54.1	64.9	0	0	112.1	Y38 E42 V45 R46 E76 M78 K83 R84	Y38-M80 HydrophobicContact CD1-CE 3.62Å; Y38-M80 HydrophobicContact CE1-CE 3.52Å; Y38-M80 HydrophobicContact CG-CE 4.45Å; E42-M80 HydrophobicContact CB-CB 4.34Å; E42-M80 HydrophobicContact CB-CE 3.86Å; E42-M80 HydrophobicContact CB-CG 4.11Å; E42-M80 HydrophobicContact CG-CB 4.04Å; E42-M80 HydrophobicContact CG-CE 3.86Å; E42-M80 HydrophobicContact CG-CG 4.33Å; E42-M80 VanDerWaalsContact OE1-CE 3.27Å; E42-M80 WeakPolarHBondContact OE1-CE 3.34Å; V45-M80 HydrophobicContact CB-CB 4.33Å; V45-M80 HydrophobicContact CB-CG 4.02Å; V45-M80 HydrophobicContact CG1-CB 4.16Å; V45-M80 HydrophobicContact CG1-CG 3.9Å; R46-M80 HydrophobicContact CG-CG 4.25Å; R46-M80 HydrophobicContact CG-SD 4.04Å; E76-M80 WeakPolarHBondContact O-CB 3.41Å; E76-M80 PolarHBondContact O-N 3.42Å; M78-M80 VanDerWaalsContact C-N 3.33Å; M78-M80 PolarHBondContact O-N 3.04Å; M80-K83 HydrophobicContact CE-CD 4.48Å; M80-K83 PolarHBondContact O-N 3.01Å; M80-K83 HydrophobicContact SD-CD 4.26Å; M80-R84 HydrophobicContact CG-CG 4.36Å; M80-R84 WeakPolarHBondContact O-CB 3.44Å; M80-R84 VanDerWaalsContact O-CG 3.22Å; M80-R84 WeakPolarHBondContact O-CG 3.26Å; M80-R84 PolarHBondContact O-N 3.04Å; M80-R84 HydrophobicContact SD-CG 4.12Å
81	L	97.6	Very high	93.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-49.8	176.5	177.3	60.9	0	0	0	111.2	V45 T49 A77 M78 K83 R84 M85 L102 L103 L106	V45-L81 HydrophobicContact CG1-CB 4.13Å; T49-L81 HydrophobicContact CG2-CD1 4.38Å; A77-L81 VanDerWaalsContact O-CB 3.28Å; A77-L81 WeakPolarHBondContact O-CB 3.1Å; A77-L81 PolarHBondContact O-N 3.25Å; M78-L81 HydrophobicContact CE-CD2 4.31Å; M78-L81 PolarHBondContact O-N 2.95Å; M78-L81 HydrophobicContact SD-CD2 4.33Å; L81-K83 PolarHBondContact O-N 3.37Å; L81-R84 PolarHBondContact O-N 3.48Å; L81-M85 WeakPolarHBondContact O-CB 3.45Å; L81-M85 PolarHBondContact O-N 3.43Å; L81-L102 HydrophobicContact CD1-CB 4.27Å; L81-L102 HydrophobicContact CD1-CD2 3.86Å; L81-L102 HydrophobicContact CD1-CG 4.14Å; L81-L103 HydrophobicContact CD2-CB 4.14Å; L81-L103 HydrophobicContact CD2-CD1 4.05Å; L81-L106 HydrophobicContact CD2-CD1 3.9Å
82	W	97.4	Very high	93.2	Very high	9 Å²	9	58.8 Å²	58.8	3%	0.034	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.8	-65	127.2	0	0	0	112	M78 R84 M85 F86 L103 N117 A118 R121 L125	M78-W82 HydrophobicContact CE-CZ2 3.9Å; M78-W82 PolarHBondContact O-N 2.88Å; W82-R84 VanDerWaalsContact C-N 3.33Å; W82-R84 PolarHBondContact O-N 3.43Å; W82-M85 HydrophobicContact CE3-CE 4.39Å; W82-M85 HydrophobicContact CE3-SD 3.97Å; W82-M85 HydrophobicContact CZ3-CE 4.18Å; W82-M85 HydrophobicContact CZ3-SD 3.8Å; W82-M85 PolarHBondContact O-N 3.49Å; W82-F86 HydrophobicContact CE3-CD2 4.34Å; W82-F86 AromaticContact CE3-CE2 3.65Å; W82-F86 HydrophobicContact CE3-CE2 3.65Å; W82-F86 HydrophobicContact CZ3-CE2 4.07Å; W82-F86 WeakPolarHBondContact O-CD2 3.42Å; W82-F86 PolarHBondContact O-N 3.01Å; W82-L103 HydrophobicContact CH2-CD1 4.19Å; W82-L103 HydrophobicContact CH2-CD2 3.69Å; W82-L103 HydrophobicContact CZ2-CD1 4.34Å; W82-L103 HydrophobicContact CZ3-CD2 3.99Å; W82-N117 PolarHBondContact NE1-OD1 2.82Å; W82-A118 HydrophobicContact CZ2-CB 4.5Å; W82-R121 HydrophobicContact CH2-CB 4.16Å; W82-R121 HydrophobicContact CZ2-CB 4.06Å; W82-L125 HydrophobicContact CH2-CD1 4.34Å; W82-L125 HydrophobicContact CH2-CD2 4.34Å; W82-L125 HydrophobicContact CH2-CG 4.31Å; W82-L125 HydrophobicContact CZ3-CD2 3.91Å; W82-L125 HydrophobicContact CZ3-CG 4.2Å
83	K	95.4	Very high	93.3	Very high	96 Å²	96	55.6 Å²	55.6	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-57.5	-46.9	174.6	-175.4	178.9	-178.5	-179.8	0	110.9	A79 M80 L81 M85 H87	A79-K83 VanDerWaalsContact O-CB 3.31Å; A79-K83 WeakPolarHBondContact O-CB 3.34Å; A79-K83 PolarHBondContact O-N 3.46Å; M80-K83 HydrophobicContact CE-CD 4.48Å; M80-K83 PolarHBondContact O-N 3.01Å; M80-K83 HydrophobicContact SD-CD 4.26Å; L81-K83 PolarHBondContact O-N 3.37Å; K83-M85 VanDerWaalsContact C-N 3.3Å; K83-M85 PolarHBondContact O-N 3.38Å; K83-H87 HydrophobicContact CG-CB 4.36Å; K83-H87 WeakPolarHBondContact O-CB 3.29Å; K83-H87 PolarHBondContact O-N 2.94Å
84	R	94.6	Very high	93.4	Very high	22 Å²	22	54.3 Å²	54.3	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-30	179.4	-67.5	-74.2	-83.7	179	-15.1	112.8	R46 T49 M80 L81 W82 R95	R46-R84 PolarHBondContact O-NH2 3.41Å; T49-R84 PolarHBondContact O-NH2 3.34Å; T49-R84 PolarHBondContact OG1-NE 2.99Å; M80-R84 HydrophobicContact CG-CG 4.36Å; M80-R84 WeakPolarHBondContact O-CB 3.44Å; M80-R84 VanDerWaalsContact O-CG 3.22Å; M80-R84 WeakPolarHBondContact O-CG 3.26Å; M80-R84 PolarHBondContact O-N 3.04Å; M80-R84 HydrophobicContact SD-CG 4.12Å; L81-R84 PolarHBondContact O-N 3.48Å; W82-R84 VanDerWaalsContact C-N 3.33Å; W82-R84 PolarHBondContact O-N 3.43Å; R84-R95 HydrophobicContact CB-CG 4.49Å; R84-R95 WeakPolarHBondContact O-CD 3.24Å; R84-R95 WeakPolarHBondContact O-CG 3.44Å
85	M	96	Very high	93.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.2	-38.7	179.5	-169.9	177.1	-67.3	0	0	113.4	L81 W82 K83 N89 L100 L103 L125 L128	L81-M85 WeakPolarHBondContact O-CB 3.45Å; L81-M85 PolarHBondContact O-N 3.43Å; W82-M85 HydrophobicContact CE3-CE 4.39Å; W82-M85 HydrophobicContact CE3-SD 3.97Å; W82-M85 HydrophobicContact CZ3-CE 4.18Å; W82-M85 HydrophobicContact CZ3-SD 3.8Å; W82-M85 PolarHBondContact O-N 3.49Å; K83-M85 VanDerWaalsContact C-N 3.3Å; K83-M85 PolarHBondContact O-N 3.38Å; M85-N89 VanDerWaalsContact O-CB 3.29Å; M85-N89 WeakPolarHBondContact O-CB 3.17Å; M85-N89 PolarHBondContact O-ND2 3.42Å; M85-L100 HydrophobicContact CE-CD2 4.01Å; M85-L100 HydrophobicContact CE-CG 4.34Å; M85-L100 HydrophobicContact SD-CD2 4.2Å; M85-L103 HydrophobicContact CE-CB 4.29Å; M85-L103 HydrophobicContact CE-CD2 4.06Å; M85-L125 HydrophobicContact SD-CD2 3.8Å; M85-L128 HydrophobicContact CG-CD1 4.06Å; M85-L128 HydrophobicContact SD-CD1 3.93Å
86	F	94.1	Very high	93.4	Very high	51 Å²	51	52 Å²	52	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-108.9	-27.3	-171.3	-65.8	-67.1	0	0	0	114.8	W82 E88 D124 L128	W82-F86 HydrophobicContact CE3-CD2 4.34Å; W82-F86 AromaticContact CE3-CE2 3.65Å; W82-F86 HydrophobicContact CE3-CE2 3.65Å; W82-F86 HydrophobicContact CZ3-CE2 4.07Å; W82-F86 WeakPolarHBondContact O-CD2 3.42Å; W82-F86 PolarHBondContact O-N 3.01Å; F86-E88 PolarHBondContact O-N 3.48Å; F86-D124 HydrophobicContact CE1-CB 4.26Å; F86-D124 WeakPolarHBondContact CE1-O 3.46Å; F86-D124 HydrophobicContact CE2-CB 3.82Å; F86-D124 HydrophobicContact CZ-CB 3.56Å; F86-D124 WeakPolarHBondContact CZ-O 3.47Å; F86-L128 HydrophobicContact CE1-CD1 4.17Å; F86-L128 HydrophobicContact CE1-CD2 4.17Å; F86-L128 HydrophobicContact CE1-CG 4.02Å; F86-L128 HydrophobicContact CZ-CD1 4.42Å
87	H	91.6	Very high	93.5	Very high	98 Å²	98	51.8 Å²	51.8	45%	0.454	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	122	-179	-170.6	-88.2	0	0	0	111.5	K83 N89	K83-H87 HydrophobicContact CG-CB 4.36Å; K83-H87 WeakPolarHBondContact O-CB 3.29Å; K83-H87 PolarHBondContact O-N 2.94Å; H87-N89 PolarHBondContact O-N 3.07Å; H87-N89 VanDerWaalsContact O-N 3.11Å
88	E	86.4	Confident	93.5	Very high	143 Å²	143	52 Å²	52	67%	0.668	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.7	178	-67.4	173.1	171.4	0	0	113.8	F86 K90	F86-E88 PolarHBondContact O-N 3.48Å; E88-K90 VanDerWaalsContact C-N 3.28Å; E88-K90 PolarHBondContact O-N 3.02Å
89	N	86.7	Confident	93.5	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13	-167.9	72	-2.8	0	0	0	114.9	M85 H87 R91 S92 V96 Y131	M85-N89 VanDerWaalsContact O-CB 3.29Å; M85-N89 WeakPolarHBondContact O-CB 3.17Å; M85-N89 PolarHBondContact O-ND2 3.42Å; H87-N89 PolarHBondContact O-N 3.07Å; H87-N89 VanDerWaalsContact O-N 3.11Å; N89-R91 VanDerWaalsContact C-N 3.28Å; N89-R91 PolarHBondContact O-N 3.28Å; N89-S92 PolarHBondContact O-N 2.82Å; N89-V96 HydrophobicContact CB-CG2 3.57Å; N89-Y131 PolarHBondContact O-OH 3.27Å
90	K	84.4	Confident	93.6	Very high	172 Å²	172	49 Å²	49	75%	0.748	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.7	-175.2	-66	-173.8	179.5	-178.3	0	114.1	E88	E88-K90 VanDerWaalsContact C-N 3.28Å; E88-K90 PolarHBondContact O-N 3.02Å
91	R	87	Confident	93.6	Very high	217 Å²	217	50.4 Å²	50.4	82%	0.819	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-14.5	179.3	-66.1	-175.4	179.6	179.1	-0	113.5	N89 Y133	N89-R91 VanDerWaalsContact C-N 3.28Å; N89-R91 PolarHBondContact O-N 3.28Å; R91-Y133 WeakPolarHBondContact O-CE2 3.39Å
92	S	90.4	Very high	93.6	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.119	22%	0.219	C	C	.	.			trans	-109.6	58	-171.2	-66.2	0	0	0	0	112.5	E51 N89 I94 R95 V96	E51-S92 WeakPolarHBondContact OE1-CB 3.34Å; E51-S92 PolarHBondContact OE1-OG 2.92Å; N89-S92 PolarHBondContact O-N 2.82Å; S92-I94 VanDerWaalsContact C-N 3.27Å; S92-I94 PolarHBondContact O-N 3.43Å; S92-R95 WeakPolarHBondContact O-CB 3.45Å; S92-R95 PolarHBondContact O-N 3.48Å; S92-R95 VanDerWaalsContact O-N 3.12Å; S92-R95 PolarHBondContact OG-NH2 3.04Å; S92-V96 PolarHBondContact O-N 3.18Å
93	W	93.8	Very high	93.6	Very high	44 Å²	44	50 Å²	50	17%	0.167	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-35.3	-175.9	76.1	-90.8	0	0	0	113.3	R95 V96 Y97 Y131 Y133 Q141 K144 I145	W93-R95 VanDerWaalsContact C-N 3.32Å; W93-R95 PolarHBondContact O-N 3.18Å; W93-V96 PolarHBondContact O-N 3.19Å; W93-Y97 WeakPolarHBondContact O-CB 3.46Å; W93-Y97 PolarHBondContact O-N 3.04Å; W93-Y131 WeakPolarHBondContact CA-OH 3.31Å; W93-Y131 HydrophobicContact CB-CE1 4.01Å; W93-Y133 HydrophobicContact CB-CD1 4.3Å; W93-Y133 HydrophobicContact CB-CD2 4.2Å; W93-Y133 HydrophobicContact CB-CG 3.97Å; W93-Y133 AromaticContact CD1-CD1 3.46Å; W93-Y133 VanDerWaalsContact CD1-CD1 3.46Å; W93-Y133 AromaticContact CD1-CE1 3.22Å; W93-Y133 AromaticContact CD1-CE2 3.89Å; W93-Y133 AromaticContact CD1-CG 3.88Å; W93-Y133 AromaticContact CD1-CZ 3.45Å; W93-Y133 VanDerWaalsContact CD1-CZ 3.45Å; W93-Y133 AromaticContact CG-CD1 3.96Å; W93-Y133 HydrophobicContact CG-CD1 3.96Å; W93-Y133 HydrophobicContact CG-CE1 4.15Å; W93-Y133 HydrophobicContact CG-CG 4.13Å; W93-Y133 AromaticContact NE1-CE1 3.6Å; W93-Q141 HydrophobicContact CD2-CB 3.59Å; W93-Q141 HydrophobicContact CD2-CG 4.15Å; W93-Q141 HydrophobicContact CE3-CB 3.92Å; W93-Q141 HydrophobicContact CG-CB 3.97Å; W93-Q141 HydrophobicContact CH2-CB 4.41Å; W93-Q141 HydrophobicContact CH2-CG 4.4Å; W93-Q141 HydrophobicContact CZ2-CB 4.11Å; W93-Q141 HydrophobicContact CZ2-CG 3.82Å; W93-Q141 HydrophobicContact CZ3-CB 4.32Å; W93-K144 HydrophobicContact CH2-CD 4.47Å; W93-K144 HydrophobicContact CZ3-CD 4.04Å; W93-I145 HydrophobicContact CB-CD1 3.82Å
94	I	94.8	Very high	93.7	Very high	37 Å²	37	46.2 Å²	46.2	19%	0.19	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-43.6	178	-61.1	177.3	0	0	0	110.6	E51 D52 S92 Y97 K98	E51-I94 WeakPolarHBondContact O-CD1 3.32Å; D52-I94 WeakPolarHBondContact O-CG2 3.3Å; S92-I94 VanDerWaalsContact C-N 3.27Å; S92-I94 PolarHBondContact O-N 3.43Å; I94-Y97 PolarHBondContact O-N 3.27Å; I94-K98 HydrophobicContact CG2-CD 4.25Å; I94-K98 HydrophobicContact CG2-CG 4.45Å; I94-K98 WeakPolarHBondContact O-CB 3.29Å; I94-K98 WeakPolarHBondContact O-CG 3.38Å; I94-K98 PolarHBondContact O-N 3.49Å
95	R	95.1	Very high	93.8	Very high	35 Å²	35	47.8 Å²	47.8	13%	0.132	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-45.4	178	-176	-170.8	-55.8	161.3	2.9	111.2	T49 E51 R84 S92 W93 K98 S99	T49-R95 WeakPolarHBondContact O-CG 3.29Å; E51-R95 HydrophobicContact CG-CB 4.38Å; E51-R95 IonicContact OE1-CZ 2.67Å; E51-R95 IonicContact OE1-NE 3.02Å; E51-R95 IonicContact OE1-NH2 3.94Å; E51-R95 PolarHBondContact OE1-NH2 3.2Å; R84-R95 HydrophobicContact CB-CG 4.49Å; R84-R95 WeakPolarHBondContact O-CD 3.24Å; R84-R95 WeakPolarHBondContact O-CG 3.44Å; S92-R95 WeakPolarHBondContact O-CB 3.45Å; S92-R95 PolarHBondContact O-N 3.48Å; S92-R95 VanDerWaalsContact O-N 3.12Å; S92-R95 PolarHBondContact OG-NH2 3.04Å; W93-R95 VanDerWaalsContact C-N 3.32Å; W93-R95 PolarHBondContact O-N 3.18Å; R95-K98 PolarHBondContact O-N 2.91Å; R95-S99 WeakPolarHBondContact O-CB 3.47Å; R95-S99 PolarHBondContact O-N 3.45Å; R95-S99 PolarHBondContact O-OG 3.25Å
96	V	96.2	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-48.7	177.3	-177.2	0	0	0	0	110.4	N89 S92 W93 K98 S99 L100 L128 Y131 I145	N89-V96 HydrophobicContact CB-CG2 3.57Å; S92-V96 PolarHBondContact O-N 3.18Å; W93-V96 PolarHBondContact O-N 3.19Å; V96-K98 PolarHBondContact O-N 3.16Å; V96-S99 WeakPolarHBondContact O-CB 3.41Å; V96-S99 PolarHBondContact O-N 2.89Å; V96-L100 PolarHBondContact O-N 2.99Å; V96-L128 HydrophobicContact CG1-CD1 4.07Å; V96-L128 HydrophobicContact CG1-CD2 3.96Å; V96-Y131 HydrophobicContact CG2-CE2 4.25Å; V96-I145 HydrophobicContact CB-CD1 3.9Å; V96-I145 HydrophobicContact CB-CG1 4.48Å; V96-I145 HydrophobicContact CG1-CD1 4Å; V96-I145 HydrophobicContact CG1-CG1 4.26Å; V96-I145 HydrophobicContact CG1-CG2 3.92Å
97	Y	96	Very high	94	Very high	54 Å²	54	45.4 Å²	45.4	21%	0.212	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-45.2	-179.5	-178.4	-108.3	0	0	0	112.2	W93 I94 S99 L100 I101 K144 I145 R148	W93-Y97 WeakPolarHBondContact O-CB 3.46Å; W93-Y97 PolarHBondContact O-N 3.04Å; I94-Y97 PolarHBondContact O-N 3.27Å; Y97-S99 VanDerWaalsContact C-N 3.35Å; Y97-L100 WeakPolarHBondContact O-CB 3.23Å; Y97-L100 PolarHBondContact O-N 3.22Å; Y97-I101 HydrophobicContact CD1-CD1 3.75Å; Y97-I101 HydrophobicContact CE1-CD1 3.33Å; Y97-I101 HydrophobicContact CE1-CG1 4.29Å; Y97-I101 WeakPolarHBondContact O-CG1 3.48Å; Y97-I101 PolarHBondContact O-N 3.27Å; Y97-K144 HydrophobicContact CD2-CB 4.16Å; Y97-K144 HydrophobicContact CE2-CB 4.13Å; Y97-I145 HydrophobicContact CD2-CG1 4.42Å; Y97-R148 HydrophobicContact CE2-CB 4.23Å; Y97-R148 HydrophobicContact CE2-CG 4.45Å; Y97-R148 PolarHBondContact OH-NH2 3.14Å
98	K	96.9	Very high	94.2	Very high	5 Å²	5	44 Å²	44	2%	0.022	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-34.7	174.8	-73.4	-175.4	-177	-175.4	0	113.3	N50 D52 W54 I94 R95 V96 L100 I101 L102	N50-K98 WeakPolarHBondContact O-CD 3.47Å; N50-K98 WeakPolarHBondContact O-CE 3.44Å; N50-K98 PolarHBondContact O-NZ 3.11Å; N50-K98 PolarHBondContact OD1-NZ 3.47Å; D52-K98 WeakPolarHBondContact O-CE 3.49Å; D52-K98 PolarHBondContact O-NZ 2.84Å; W54-K98 WeakPolarHBondContact O-CE 3.29Å; W54-K98 PolarHBondContact O-NZ 3.49Å; I94-K98 HydrophobicContact CG2-CD 4.25Å; I94-K98 HydrophobicContact CG2-CG 4.45Å; I94-K98 WeakPolarHBondContact O-CB 3.29Å; I94-K98 WeakPolarHBondContact O-CG 3.38Å; I94-K98 PolarHBondContact O-N 3.49Å; R95-K98 PolarHBondContact O-N 2.91Å; V96-K98 PolarHBondContact O-N 3.16Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 2.77Å; K98-I101 PolarHBondContact O-N 3.05Å; K98-L102 WeakPolarHBondContact O-CB 3.38Å; K98-L102 PolarHBondContact O-N 3.28Å
99	S	97.2	Very high	94.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-38.6	174.1	-56.8	0	0	0	0	110.6	T49 R95 V96 Y97 L102 L103	T49-S99 WeakPolarHBondContact CG2-OG 3.38Å; R95-S99 WeakPolarHBondContact O-CB 3.47Å; R95-S99 PolarHBondContact O-N 3.45Å; R95-S99 PolarHBondContact O-OG 3.25Å; V96-S99 WeakPolarHBondContact O-CB 3.41Å; V96-S99 PolarHBondContact O-N 2.89Å; Y97-S99 VanDerWaalsContact C-N 3.35Å; S99-L102 PolarHBondContact O-N 2.89Å; S99-L103 WeakPolarHBondContact O-CB 3.44Å; S99-L103 PolarHBondContact O-N 2.96Å
100	L	97.5	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-43.1	173.4	-71.6	170.8	0	0	0	112.3	M85 V96 Y97 K98 L102 L103 E104 L125 L128 I145 R148 V149	M85-L100 HydrophobicContact CE-CD2 4.01Å; M85-L100 HydrophobicContact CE-CG 4.34Å; M85-L100 HydrophobicContact SD-CD2 4.2Å; V96-L100 PolarHBondContact O-N 2.99Å; Y97-L100 WeakPolarHBondContact O-CB 3.23Å; Y97-L100 PolarHBondContact O-N 3.22Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 2.77Å; L100-L102 VanDerWaalsContact C-N 3.32Å; L100-L102 PolarHBondContact O-N 2.9Å; L100-L103 PolarHBondContact O-N 2.68Å; L100-E104 WeakPolarHBondContact O-CB 3.28Å; L100-E104 PolarHBondContact O-N 2.96Å; L100-L125 HydrophobicContact CD2-CD2 3.99Å; L100-L128 HydrophobicContact CD1-CD1 4.37Å; L100-L128 HydrophobicContact CD2-CD1 4.13Å; L100-L128 HydrophobicContact CG-CD1 4.47Å; L100-I145 HydrophobicContact CD1-CG2 3.95Å; L100-R148 HydrophobicContact CB-CG 3.8Å; L100-R148 HydrophobicContact CD1-CB 4.2Å; L100-R148 HydrophobicContact CD1-CG 4.19Å; L100-V149 HydrophobicContact CD1-CB 4.18Å; L100-V149 HydrophobicContact CD2-CB 4.31Å; L100-V149 HydrophobicContact CD2-CG2 4.23Å
101	I	96.8	Very high	95.5	Very high	33 Å²	33	30.3 Å²	30.3	17%	0.169	13%	0.129	C	C	.	.	H	α-helix	trans	-58.1	-46.7	174.7	-70	166.3	0	0	0	110.7	P56 M61 Y97 K98 E104 Y105	P56-I101 HydrophobicContact CG-CG2 3.84Å; M61-I101 HydrophobicContact SD-CG2 4.1Å; Y97-I101 HydrophobicContact CD1-CD1 3.75Å; Y97-I101 HydrophobicContact CE1-CD1 3.33Å; Y97-I101 HydrophobicContact CE1-CG1 4.29Å; Y97-I101 WeakPolarHBondContact O-CG1 3.48Å; Y97-I101 PolarHBondContact O-N 3.27Å; K98-I101 PolarHBondContact O-N 3.05Å; I101-E104 PolarHBondContact O-N 3.18Å; I101-Y105 WeakPolarHBondContact O-CB 3.33Å; I101-Y105 PolarHBondContact O-N 3.2Å
102	L	97.7	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-46.7	178.4	177.9	56.3	0	0	0	110.5	V45 A48 T49 M61 I64 L81 K98 S99 L100 E104 Y105 L106	V45-L102 HydrophobicContact CG1-CD2 4.22Å; A48-L102 HydrophobicContact CB-CD2 3.93Å; T49-L102 HydrophobicContact CG2-CD2 4.15Å; M61-L102 HydrophobicContact CB-CD1 4.27Å; M61-L102 HydrophobicContact CG-CD1 3.98Å; I64-L102 HydrophobicContact CB-CD1 4.46Å; I64-L102 HydrophobicContact CD1-CD1 3.96Å; I64-L102 HydrophobicContact CD1-CD2 3.92Å; I64-L102 HydrophobicContact CG2-CD1 4.38Å; L81-L102 HydrophobicContact CD1-CB 4.27Å; L81-L102 HydrophobicContact CD1-CD2 3.86Å; L81-L102 HydrophobicContact CD1-CG 4.14Å; K98-L102 WeakPolarHBondContact O-CB 3.38Å; K98-L102 PolarHBondContact O-N 3.28Å; S99-L102 PolarHBondContact O-N 2.89Å; L100-L102 VanDerWaalsContact C-N 3.32Å; L100-L102 PolarHBondContact O-N 2.9Å; L102-E104 PolarHBondContact O-N 3.24Å; L102-Y105 WeakPolarHBondContact O-CB 3.18Å; L102-Y105 PolarHBondContact O-N 2.93Å; L102-L106 HydrophobicContact CD1-CD1 4.28Å; L102-L106 HydrophobicContact CD1-CD2 4.29Å; L102-L106 HydrophobicContact CD1-CG 4.05Å; L102-L106 HydrophobicContact CG-CD1 4.2Å; L102-L106 HydrophobicContact CG-CG 4.38Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.98Å
103	L	98.1	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57	-48.3	177.1	-179.8	61.1	0	0	0	111.9	M78 L81 W82 M85 S99 L100 Y105 L106 I107 V114 A118 L125 V152	M78-L103 HydrophobicContact CE-CD1 4.18Å; L81-L103 HydrophobicContact CD2-CB 4.14Å; L81-L103 HydrophobicContact CD2-CD1 4.05Å; W82-L103 HydrophobicContact CH2-CD1 4.19Å; W82-L103 HydrophobicContact CH2-CD2 3.69Å; W82-L103 HydrophobicContact CZ2-CD1 4.34Å; W82-L103 HydrophobicContact CZ3-CD2 3.99Å; M85-L103 HydrophobicContact CE-CB 4.29Å; M85-L103 HydrophobicContact CE-CD2 4.06Å; S99-L103 WeakPolarHBondContact O-CB 3.44Å; S99-L103 PolarHBondContact O-N 2.96Å; L100-L103 PolarHBondContact O-N 2.68Å; L103-Y105 VanDerWaalsContact C-N 3.31Å; L103-Y105 PolarHBondContact O-N 3.17Å; L103-L106 PolarHBondContact O-N 2.89Å; L103-L106 VanDerWaalsContact O-N 3.16Å; L103-I107 HydrophobicContact CD1-CD1 4.17Å; L103-I107 HydrophobicContact CD1-CG1 4.36Å; L103-I107 HydrophobicContact CG-CD1 3.87Å; L103-I107 VanDerWaalsContact O-CG1 3.28Å; L103-I107 WeakPolarHBondContact O-CG1 3.34Å; L103-I107 PolarHBondContact O-N 3.5Å; L103-V114 HydrophobicContact CD1-CG1 4.43Å; L103-A118 HydrophobicContact CD1-CB 4.31Å; L103-L125 HydrophobicContact CD2-CD1 4.11Å; L103-L125 HydrophobicContact CD2-CD2 3.89Å; L103-V152 HydrophobicContact CD2-CG1 4.2Å
104	E	96.6	Very high	96.3	Very high	18 Å²	18	27.2 Å²	27.2	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-43.3	177.1	-170.4	-173.1	170.1	0	0	111.5	L100 I101 L102 L106 I107 R108 R148 V152	L100-E104 WeakPolarHBondContact O-CB 3.28Å; L100-E104 PolarHBondContact O-N 2.96Å; I101-E104 PolarHBondContact O-N 3.18Å; L102-E104 PolarHBondContact O-N 3.24Å; E104-L106 PolarHBondContact O-N 3.45Å; E104-I107 PolarHBondContact O-N 2.93Å; E104-R108 VanDerWaalsContact CD-NH1 3.3Å; E104-R108 PolarHBondContact O-N 3.18Å; E104-R108 IonicContact OE1-CZ 3.69Å; E104-R108 IonicContact OE1-NH1 3Å; E104-R108 PolarHBondContact OE1-NH1 3.21Å; E104-R108 IonicContact OE1-NH2 3.83Å; E104-R108 PolarHBondContact OE1-NH2 3.44Å; E104-R148 WeakPolarHBondContact OE2-CD 3.28Å; E104-R148 IonicContact OE2-NE 2.75Å; E104-R148 IonicContact OE2-NH1 3.7Å; E104-V152 HydrophobicContact CB-CG2 4.04Å; E104-V152 HydrophobicContact CG-CG2 4.3Å
105	Y	96.6	Very high	96.4	Very high	54 Å²	54	26.3 Å²	26.3	21%	0.212	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-42.9	175.5	-173.6	-86.6	0	0	0	112.1	M61 A65 I101 L102 L103 R108 N109	M61-Y105 VanDerWaalsContact C-CE1 3.45Å; M61-Y105 HydrophobicContact CB-CD1 3.55Å; M61-Y105 HydrophobicContact CB-CD2 4.29Å; M61-Y105 HydrophobicContact CB-CE1 3.65Å; M61-Y105 HydrophobicContact CB-CE2 4.38Å; M61-Y105 HydrophobicContact CB-CG 3.88Å; M61-Y105 HydrophobicContact CE-CD2 3.96Å; M61-Y105 HydrophobicContact CE-CE2 4.32Å; M61-Y105 HydrophobicContact CE-CG 4.36Å; M61-Y105 WeakPolarHBondContact O-CE1 3.44Å; M61-Y105 HydrophobicContact SD-CD1 4.5Å; M61-Y105 HydrophobicContact SD-CD2 4.1Å; M61-Y105 HydrophobicContact SD-CG 3.9Å; A65-Y105 HydrophobicContact CB-CD1 4.31Å; A65-Y105 HydrophobicContact CB-CE1 3.9Å; I101-Y105 WeakPolarHBondContact O-CB 3.33Å; I101-Y105 PolarHBondContact O-N 3.2Å; L102-Y105 WeakPolarHBondContact O-CB 3.18Å; L102-Y105 PolarHBondContact O-N 2.93Å; L103-Y105 VanDerWaalsContact C-N 3.31Å; L103-Y105 PolarHBondContact O-N 3.17Å; Y105-R108 PolarHBondContact O-N 3.2Å; Y105-N109 HydrophobicContact CD1-CB 4.14Å; Y105-N109 HydrophobicContact CE1-CB 3.74Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.08Å; Y105-N109 WeakPolarHBondContact O-CB 3.31Å; Y105-N109 PolarHBondContact O-N 3.06Å; Y105-N109 PolarHBondContact O-ND2 2.98Å
106	L	97.5	Very high	96.4	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-37.3	177.9	-64.7	179.3	0	0	0	111.9	I64 A65 T68 M78 L81 L102 L103 E104 R108 N109 G110 V114	I64-L106 HydrophobicContact CB-CD2 4.37Å; I64-L106 HydrophobicContact CG2-CD1 4.23Å; I64-L106 HydrophobicContact CG2-CD2 3.93Å; A65-L106 VanDerWaalsContact CA-CD2 3.45Å; A65-L106 HydrophobicContact CB-CD2 3.77Å; T68-L106 HydrophobicContact CG2-CD1 4.3Å; T68-L106 HydrophobicContact CG2-CD2 3.97Å; M78-L106 HydrophobicContact SD-CD1 4.25Å; L81-L106 HydrophobicContact CD2-CD1 3.9Å; L102-L106 HydrophobicContact CD1-CD1 4.28Å; L102-L106 HydrophobicContact CD1-CD2 4.29Å; L102-L106 HydrophobicContact CD1-CG 4.05Å; L102-L106 HydrophobicContact CG-CD1 4.2Å; L102-L106 HydrophobicContact CG-CG 4.38Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.98Å; L103-L106 PolarHBondContact O-N 2.89Å; L103-L106 VanDerWaalsContact O-N 3.16Å; E104-L106 PolarHBondContact O-N 3.45Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 2.82Å; L106-N109 PolarHBondContact O-N 2.95Å; L106-G110 WeakPolarHBondContact O-CA 2.99Å; L106-G110 PolarHBondContact O-N 3.26Å; L106-V114 HydrophobicContact CB-CG1 3.79Å; L106-V114 HydrophobicContact CB-CG2 4.34Å
107	I	97	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-38.3	174.3	-72	163.5	0	0	0	110.8	L103 E104 V114 A118 V152 L155 L156 L162 R166	L103-I107 HydrophobicContact CD1-CD1 4.17Å; L103-I107 HydrophobicContact CD1-CG1 4.36Å; L103-I107 HydrophobicContact CG-CD1 3.87Å; L103-I107 VanDerWaalsContact O-CG1 3.28Å; L103-I107 WeakPolarHBondContact O-CG1 3.34Å; L103-I107 PolarHBondContact O-N 3.5Å; E104-I107 PolarHBondContact O-N 2.93Å; I107-V114 HydrophobicContact CG1-CG1 4.08Å; I107-A118 HydrophobicContact CD1-CB 4.38Å; I107-V152 HydrophobicContact CD1-CG1 4Å; I107-L155 HydrophobicContact CG2-CD2 3.93Å; I107-L155 HydrophobicContact CG2-CG 4.31Å; I107-L156 HydrophobicContact CD1-CD1 4.23Å; I107-L156 HydrophobicContact CD1-CD2 3.73Å; I107-L156 HydrophobicContact CD1-CG 4Å; I107-L156 HydrophobicContact CG1-CD2 4.14Å; I107-L156 HydrophobicContact CG2-CD2 4.36Å; I107-L162 HydrophobicContact CG2-CD1 3.37Å; I107-R166 PolarHBondContact O-NH1 2.66Å
108	R	95.4	Very high	96.5	Very high	67 Å²	67	26.7 Å²	26.7	25%	0.253	13%	0.129	S	C	.	.	H	α-helix	trans	-81.7	-36.6	179.1	-68.9	177.1	177.3	135.3	8.4	114.6	E104 Y105 L106 L155 E165 R166	E104-R108 VanDerWaalsContact CD-NH1 3.3Å; E104-R108 PolarHBondContact O-N 3.18Å; E104-R108 IonicContact OE1-CZ 3.69Å; E104-R108 IonicContact OE1-NH1 3Å; E104-R108 PolarHBondContact OE1-NH1 3.21Å; E104-R108 IonicContact OE1-NH2 3.83Å; E104-R108 PolarHBondContact OE1-NH2 3.44Å; Y105-R108 PolarHBondContact O-N 3.2Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 2.82Å; R108-L155 HydrophobicContact CG-CD2 4.42Å; R108-E165 IonicContact CZ-OE2 2.66Å; R108-E165 IonicContact NE-OE2 3.18Å; R108-E165 PolarHBondContact NE-OE2 2.74Å; R108-E165 IonicContact NH2-OE2 3.87Å; R108-E165 PolarHBondContact NH2-OE2 3Å; R108-R166 WeakPolarHBondContact O-CG 3.42Å
109	N	95.3	Very high	96.5	Very high	43 Å²	43	30.5 Å²	30.5	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-117.7	-19.4	-167	-63.5	-84.6	0	0	0	114.4	A65 Y105 L106 A169	A65-N109 HydrophobicContact CB-CB 4.22Å; Y105-N109 HydrophobicContact CD1-CB 4.14Å; Y105-N109 HydrophobicContact CE1-CB 3.74Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.08Å; Y105-N109 WeakPolarHBondContact O-CB 3.31Å; Y105-N109 PolarHBondContact O-N 3.06Å; Y105-N109 PolarHBondContact O-ND2 2.98Å; L106-N109 PolarHBondContact O-N 2.95Å; N109-A169 WeakPolarHBondContact OD1-CB 3.35Å
110	G	94.2	Very high	96.5	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.031	18%	0.175	C	C	.	.	S	Bend	trans	-85.6	-170.3	-177	0	0	0	0	0	113.5	T68 L106 R166	T68-G110 WeakPolarHBondContact OG1-CA 3.39Å; L106-G110 WeakPolarHBondContact O-CA 2.99Å; L106-G110 PolarHBondContact O-N 3.26Å; G110-R166 PolarHBondContact O-NH1 2.91Å; G110-R166 PolarHBondContact O-NH2 3.42Å
111	S	94.8	Very high	96.4	Very high	8 Å²	8	42.1 Å²	42.1	6%	0.056	19%	0.193	C	C	.	.			trans	-66.1	157.6	178.2	70.3	0	0	0	0	112.1	T68 N69 R113 V114	T68-S111 WeakPolarHBondContact O-CB 3.43Å; T68-S111 PolarHBondContact O-OG 3.46Å; T68-S111 PolarHBondContact OG1-N 3.48Å; N69-S111 WeakPolarHBondContact OD1-CA 2.89Å; N69-S111 WeakPolarHBondContact OD1-CB 3.2Å; S111-R113 PolarHBondContact O-N 3.38Å; S111-V114 WeakPolarHBondContact O-CB 3.4Å; S111-V114 PolarHBondContact O-N 3.32Å; S111-V114 VanDerWaalsContact O-N 3.14Å
112	E	94.7	Very high	96.4	Very high	124 Å²	124	41.7 Å²	41.7	58%	0.579	19%	0.191	S	C	*	.	H	α-helix	trans	-64.3	-24.4	176	-69.7	175.9	-172.2	0	0	112.1	V114 I115 S116 R170	E112-V114 PolarHBondContact O-N 3.41Å; E112-I115 WeakPolarHBondContact O-CB 3.49Å; E112-I115 PolarHBondContact O-N 2.94Å; E112-S116 PolarHBondContact O-N 2.89Å; E112-R170 IonicContact OE1-NH2 2.68Å
113	R	95.5	Very high	96.3	Very high	88 Å²	88	50.1 Å²	50.1	33%	0.332	22%	0.224	S	C	.	.	H	α-helix	trans	-58.5	-29.3	173.9	-60	176.6	69	-167.6	5.4	112.6	F74 S111 I115 S116 N117	F74-R113 HydrophobicContact CD2-CB 4.04Å; F74-R113 HydrophobicContact CE1-CB 4.22Å; F74-R113 HydrophobicContact CE2-CB 3.49Å; F74-R113 VanDerWaalsContact CE2-CB 3.49Å; F74-R113 HydrophobicContact CZ-CB 3.59Å; F74-R113 WeakPolarHBondContact CZ-O 3.37Å; S111-R113 PolarHBondContact O-N 3.38Å; R113-I115 VanDerWaalsContact C-N 3.28Å; R113-I115 PolarHBondContact O-N 2.84Å; R113-S116 PolarHBondContact O-N 3.28Å; R113-N117 VanDerWaalsContact O-CB 3.3Å; R113-N117 WeakPolarHBondContact O-CB 3.19Å; R113-N117 PolarHBondContact O-N 2.78Å
114	V	97.4	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-39.4	175	178.5	0	0	0	0	110.6	T68 F74 M78 L103 L106 I107 S111 E112 N117 A118	T68-V114 HydrophobicContact CG2-CG2 3.82Å; F74-V114 HydrophobicContact CD2-CG2 4.48Å; F74-V114 HydrophobicContact CE2-CG2 3.88Å; M78-V114 HydrophobicContact CE-CG1 4.24Å; M78-V114 HydrophobicContact SD-CG1 4.25Å; M78-V114 HydrophobicContact SD-CG2 4.25Å; L103-V114 HydrophobicContact CD1-CG1 4.43Å; L106-V114 HydrophobicContact CB-CG1 3.79Å; L106-V114 HydrophobicContact CB-CG2 4.34Å; I107-V114 HydrophobicContact CG1-CG1 4.08Å; S111-V114 WeakPolarHBondContact O-CB 3.4Å; S111-V114 PolarHBondContact O-N 3.32Å; S111-V114 VanDerWaalsContact O-N 3.14Å; E112-V114 PolarHBondContact O-N 3.41Å; V114-N117 PolarHBondContact O-N 3.26Å; V114-A118 WeakPolarHBondContact O-CB 3.44Å; V114-A118 PolarHBondContact O-N 2.69Å
115	I	96.9	Very high	96.2	Very high	19 Å²	19	52 Å²	52	10%	0.097	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-49.6	-179.2	-55.5	163.7	0	0	0	109.4	E112 R113 N117 A118 R119 L156 L162	E112-I115 WeakPolarHBondContact O-CB 3.49Å; E112-I115 PolarHBondContact O-N 2.94Å; R113-I115 VanDerWaalsContact C-N 3.28Å; R113-I115 PolarHBondContact O-N 2.84Å; I115-N117 VanDerWaalsContact C-N 3.35Å; I115-N117 PolarHBondContact O-N 2.72Å; I115-A118 PolarHBondContact O-N 2.97Å; I115-R119 WeakPolarHBondContact O-CB 3.42Å; I115-R119 WeakPolarHBondContact O-CG 3.37Å; I115-R119 PolarHBondContact O-N 3.32Å; I115-L156 HydrophobicContact CG2-CD2 4.31Å; I115-L162 HydrophobicContact CD1-CD2 3.85Å; I115-L162 HydrophobicContact CD1-CG 4.34Å; I115-L162 HydrophobicContact CG1-CD2 4.07Å; I115-L162 HydrophobicContact CG2-CD2 3.62Å
116	S	96.4	Very high	96.2	Very high	67 Å²	67	54.4 Å²	54.4	47%	0.469	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-47.4	177.4	-53.2	0	0	0	0	111.3	E112 R113 A118 R119 E120	E112-S116 PolarHBondContact O-N 2.89Å; R113-S116 PolarHBondContact O-N 3.28Å; S116-A118 PolarHBondContact O-N 3.35Å; S116-R119 PolarHBondContact O-N 3.06Å; S116-E120 WeakPolarHBondContact O-CG 3.4Å; S116-E120 PolarHBondContact O-N 3.24Å
117	N	96.8	Very high	96.1	Very high	30 Å²	30	59.3 Å²	59.3	16%	0.16	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-37.2	179.7	-171.9	-105.2	0	0	0	113.1	F74 M78 W82 R113 V114 I115 R121	F74-N117 HydrophobicContact CZ-CB 3.96Å; M78-N117 HydrophobicContact CE-CB 4.48Å; M78-N117 VanDerWaalsContact CE-OD1 3.3Å; M78-N117 WeakPolarHBondContact CE-OD1 3.38Å; W82-N117 PolarHBondContact NE1-OD1 2.82Å; R113-N117 VanDerWaalsContact O-CB 3.3Å; R113-N117 WeakPolarHBondContact O-CB 3.19Å; R113-N117 PolarHBondContact O-N 2.78Å; V114-N117 PolarHBondContact O-N 3.26Å; I115-N117 VanDerWaalsContact C-N 3.35Å; I115-N117 PolarHBondContact O-N 2.72Å; N117-R121 PolarHBondContact O-N 2.88Å
118	A	97.4	Very high	96.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-34.4	175.1	0	0	0	0	0	112.3	W82 L103 I107 V114 I115 S116 R121 M122 L156	W82-A118 HydrophobicContact CZ2-CB 4.5Å; L103-A118 HydrophobicContact CD1-CB 4.31Å; I107-A118 HydrophobicContact CD1-CB 4.38Å; V114-A118 WeakPolarHBondContact O-CB 3.44Å; V114-A118 PolarHBondContact O-N 2.69Å; I115-A118 PolarHBondContact O-N 2.97Å; S116-A118 PolarHBondContact O-N 3.35Å; A118-R121 CarbonylContact O-C 3.53Å; A118-R121 PolarHBondContact O-N 3.3Å; A118-M122 PolarHBondContact O-N 3.33Å; A118-L156 HydrophobicContact CB-CD1 3.83Å; A118-L156 HydrophobicContact CB-CD2 3.8Å; A118-L156 HydrophobicContact CB-CG 4.49Å
119	R	97.2	Very high	96.1	Very high	85 Å²	85	59.6 Å²	59.6	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-43.3	173.4	-76.5	179.4	170.8	167.5	2.2	112.1	I115 S116 R121 M122 L156 D159	I115-R119 WeakPolarHBondContact O-CB 3.42Å; I115-R119 WeakPolarHBondContact O-CG 3.37Å; I115-R119 PolarHBondContact O-N 3.32Å; S116-R119 PolarHBondContact O-N 3.06Å; R119-R121 PolarHBondContact O-N 3.3Å; R119-M122 HydrophobicContact CG-CE 4.15Å; R119-M122 VanDerWaalsContact O-CB 3.26Å; R119-M122 WeakPolarHBondContact O-CB 3.4Å; R119-M122 PolarHBondContact O-N 3.41Å; R119-M122 VanDerWaalsContact O-N 3.16Å; R119-L156 HydrophobicContact CG-CD2 4.41Å; R119-L156 VanDerWaalsContact CZ-O 3.29Å; R119-L156 PolarHBondContact NE-O 2.83Å; R119-L156 PolarHBondContact NH2-O 3.03Å; R119-D159 IonicContact CZ-OD1 3.97Å; R119-D159 VanDerWaalsContact CZ-OD1 3.27Å; R119-D159 IonicContact NH1-OD1 2.77Å; R119-D159 PolarHBondContact NH1-OD1 3.46Å; R119-D159 IonicContact NH1-OD2 4Å; R119-D159 VanDerWaalsContact NH2-CG 3.34Å; R119-D159 IonicContact NH2-OD1 3.99Å; R119-D159 PolarHBondContact NH2-OD1 3.08Å; R119-D159 IonicContact NH2-OD2 3.38Å
120	E	96.8	Very high	96.1	Very high	143 Å²	143	61.6 Å²	61.6	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-57.8	-36.8	174.7	-74.1	166.6	-169	0	0	112	S116	S116-E120 WeakPolarHBondContact O-CG 3.4Å; S116-E120 PolarHBondContact O-N 3.24Å
121	R	95.7	Very high	96.1	Very high	100 Å²	100	62.3 Å²	62.3	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	18.2	179.1	-68.5	-176	164	-129	-2.8	114.2	W82 N117 A118 R119 Y123 D124 L125	W82-R121 HydrophobicContact CH2-CB 4.16Å; W82-R121 HydrophobicContact CZ2-CB 4.06Å; N117-R121 PolarHBondContact O-N 2.88Å; A118-R121 CarbonylContact O-C 3.53Å; A118-R121 PolarHBondContact O-N 3.3Å; R119-R121 PolarHBondContact O-N 3.3Å; R121-Y123 PolarHBondContact O-N 3.35Å; R121-D124 WeakPolarHBondContact O-CB 3.41Å; R121-D124 PolarHBondContact O-N 2.91Å; R121-L125 PolarHBondContact O-N 3.5Å
122	M	95.9	Very high	96.1	Very high	25 Å²	25	69.7 Å²	69.7	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-31.8	-178.8	-172.1	-179.1	-65.5	0	0	112.1	A118 R119 D124 L125 R126 I153 L156 Q157	A118-M122 PolarHBondContact O-N 3.33Å; R119-M122 HydrophobicContact CG-CE 4.15Å; R119-M122 VanDerWaalsContact O-CB 3.26Å; R119-M122 WeakPolarHBondContact O-CB 3.4Å; R119-M122 PolarHBondContact O-N 3.41Å; R119-M122 VanDerWaalsContact O-N 3.16Å; M122-D124 VanDerWaalsContact C-N 3.35Å; M122-L125 WeakPolarHBondContact O-CB 3.36Å; M122-L125 PolarHBondContact O-N 2.93Å; M122-R126 WeakPolarHBondContact O-CG 3.44Å; M122-R126 PolarHBondContact O-N 2.68Å; M122-I153 HydrophobicContact CG-CG1 4.47Å; M122-I153 HydrophobicContact SD-CG2 4.28Å; M122-L156 HydrophobicContact CE-CB 3.76Å; M122-L156 HydrophobicContact CE-CD1 4.44Å; M122-Q157 HydrophobicContact CE-CG 4.12Å; M122-Q157 HydrophobicContact SD-CG 4.22Å
123	Y	95.6	Very high	96.1	Very high	176 Å²	176	66.9 Å²	66.9	69%	0.69	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-38.4	174.5	-67.7	-72.5	0	0	0	112.7	R121 L125 R126	R121-Y123 PolarHBondContact O-N 3.35Å; Y123-L125 VanDerWaalsContact C-N 3.33Å; Y123-R126 WeakPolarHBondContact O-CB 3.49Å; Y123-R126 PolarHBondContact O-N 3.22Å
124	D	95.9	Very high	95.9	Very high	59 Å²	59	67.8 Å²	67.8	32%	0.316	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-40.2	175.3	-59.8	-37.2	0	0	0	110.5	F86 R121 M122 R126 I127	F86-D124 HydrophobicContact CE1-CB 4.26Å; F86-D124 WeakPolarHBondContact CE1-O 3.46Å; F86-D124 HydrophobicContact CE2-CB 3.82Å; F86-D124 HydrophobicContact CZ-CB 3.56Å; F86-D124 WeakPolarHBondContact CZ-O 3.47Å; R121-D124 WeakPolarHBondContact O-CB 3.41Å; R121-D124 PolarHBondContact O-N 2.91Å; M122-D124 VanDerWaalsContact C-N 3.35Å; D124-R126 VanDerWaalsContact C-N 3.31Å; D124-R126 PolarHBondContact O-N 2.91Å; D124-I127 VanDerWaalsContact O-CB 3.29Å; D124-I127 WeakPolarHBondContact O-CB 3.34Å; D124-I127 PolarHBondContact O-N 3.28Å
125	L	97	Very high	95.6	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-39.5	174.9	-72.1	172.9	0	0	0	111.9	W82 M85 L100 L103 R121 M122 Y123 I127 L128 V149 V152 I153 L156	W82-L125 HydrophobicContact CH2-CD1 4.34Å; W82-L125 HydrophobicContact CH2-CD2 4.34Å; W82-L125 HydrophobicContact CH2-CG 4.31Å; W82-L125 HydrophobicContact CZ3-CD2 3.91Å; W82-L125 HydrophobicContact CZ3-CG 4.2Å; M85-L125 HydrophobicContact SD-CD2 3.8Å; L100-L125 HydrophobicContact CD2-CD2 3.99Å; L103-L125 HydrophobicContact CD2-CD1 4.11Å; L103-L125 HydrophobicContact CD2-CD2 3.89Å; R121-L125 PolarHBondContact O-N 3.5Å; M122-L125 WeakPolarHBondContact O-CB 3.36Å; M122-L125 PolarHBondContact O-N 2.93Å; Y123-L125 VanDerWaalsContact C-N 3.33Å; L125-I127 PolarHBondContact O-N 2.98Å; L125-L128 HydrophobicContact CD2-CD1 4.47Å; L125-L128 WeakPolarHBondContact O-CB 3.49Å; L125-L128 PolarHBondContact O-N 3.49Å; L125-V149 HydrophobicContact CB-CG2 4Å; L125-V149 HydrophobicContact CD2-CG2 4.28Å; L125-V149 VanDerWaalsContact O-CG2 3.29Å; L125-V149 WeakPolarHBondContact O-CG2 3.43Å; L125-V152 HydrophobicContact CD1-CG1 4.27Å; L125-I153 HydrophobicContact CB-CD1 4.28Å; L125-I153 HydrophobicContact CB-CG1 4.3Å; L125-L156 HydrophobicContact CD1-CD1 3.96Å
126	R	96.5	Very high	95.3	Very high	103 Å²	103	77.5 Å²	77.5	39%	0.389	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-27	177.4	-72.9	-178.6	179	174.3	1	113.4	M122 Y123 D124 L128 E129 I153	M122-R126 WeakPolarHBondContact O-CG 3.44Å; M122-R126 PolarHBondContact O-N 2.68Å; Y123-R126 WeakPolarHBondContact O-CB 3.49Å; Y123-R126 PolarHBondContact O-N 3.22Å; D124-R126 VanDerWaalsContact C-N 3.31Å; D124-R126 PolarHBondContact O-N 2.91Å; R126-L128 PolarHBondContact O-N 3.23Å; R126-E129 WeakPolarHBondContact CG-OE2 3.36Å; R126-E129 VanDerWaalsContact O-CB 3.31Å; R126-E129 WeakPolarHBondContact O-CB 3.46Å; R126-E129 PolarHBondContact O-N 3.39Å; R126-I153 HydrophobicContact CG-CD1 3.83Å
127	I	95.5	Very high	95.1	Very high	106 Å²	106	83.6 Å²	83.6	54%	0.544	38%	0.378	S	S	.	.	H	α-helix	trans	-59.3	-29.7	173.7	-58	172.3	0	0	0	111	D124 L125 E129 S130	D124-I127 VanDerWaalsContact O-CB 3.29Å; D124-I127 WeakPolarHBondContact O-CB 3.34Å; D124-I127 PolarHBondContact O-N 3.28Å; L125-I127 PolarHBondContact O-N 2.98Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 2.94Å; I127-S130 PolarHBondContact O-OG 3.34Å
128	L	96.5	Very high	94.7	Very high	1 Å²	1	88.6 Å²	88.6	1%	0.005	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-78.4	-12.2	178.8	-56.9	174.8	0	0	0	113.3	M85 F86 V96 L100 L125 R126 S130 Y131 I145 V149	M85-L128 HydrophobicContact CG-CD1 4.06Å; M85-L128 HydrophobicContact SD-CD1 3.93Å; F86-L128 HydrophobicContact CE1-CD1 4.17Å; F86-L128 HydrophobicContact CE1-CD2 4.17Å; F86-L128 HydrophobicContact CE1-CG 4.02Å; F86-L128 HydrophobicContact CZ-CD1 4.42Å; V96-L128 HydrophobicContact CG1-CD1 4.07Å; V96-L128 HydrophobicContact CG1-CD2 3.96Å; L100-L128 HydrophobicContact CD1-CD1 4.37Å; L100-L128 HydrophobicContact CD2-CD1 4.13Å; L100-L128 HydrophobicContact CG-CD1 4.47Å; L125-L128 HydrophobicContact CD2-CD1 4.47Å; L125-L128 WeakPolarHBondContact O-CB 3.49Å; L125-L128 PolarHBondContact O-N 3.49Å; R126-L128 PolarHBondContact O-N 3.23Å; L128-S130 PolarHBondContact O-N 3.02Å; L128-Y131 HydrophobicContact CD2-CD2 3.98Å; L128-Y131 WeakPolarHBondContact O-CB 3.16Å; L128-Y131 PolarHBondContact O-N 3.41Å; L128-I145 HydrophobicContact CB-CG2 4.12Å; L128-V149 HydrophobicContact CB-CB 4.22Å; L128-V149 HydrophobicContact CB-CG1 4.1Å; L128-V149 HydrophobicContact CB-CG2 4.11Å; L128-V149 HydrophobicContact CD1-CG2 4.49Å
129	E	96.2	Very high	94.5	Very high	71 Å²	71	94.8 Å²	94.8	33%	0.332	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.2	177.1	-66.9	-179	119.3	0	0	112.4	R126 I127 R146 V149 K150 I153	R126-E129 WeakPolarHBondContact CG-OE2 3.36Å; R126-E129 VanDerWaalsContact O-CB 3.31Å; R126-E129 WeakPolarHBondContact O-CB 3.46Å; R126-E129 PolarHBondContact O-N 3.39Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 2.94Å; E129-R146 WeakPolarHBondContact O-CD 3.47Å; E129-R146 VanDerWaalsContact O-CG 3.26Å; E129-R146 WeakPolarHBondContact O-CG 3.01Å; E129-V149 HydrophobicContact CB-CG1 4.48Å; E129-V149 HydrophobicContact CG-CG1 3.83Å; E129-K150 HydrophobicContact CG-CG 4.46Å; E129-I153 HydrophobicContact CG-CD1 4.18Å
130	S	94.9	Very high	94.4	Very high	86 Å²	86	93.3 Å²	93.3	60%	0.601	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-106.9	15.3	173.6	61.7	0	0	0	0	112.8	I127 L128 Q132	I127-S130 PolarHBondContact O-OG 3.34Å; L128-S130 PolarHBondContact O-N 3.02Å; S130-Q132 PolarHBondContact O-N 3.31Å
131	Y	95.7	Very high	94.2	Very high	17 Å²	17	87.1 Å²	87.1	7%	0.067	40%	0.397	C	S	.	.			trans	-60.7	131.6	-179.3	-172.5	-86	0	0	0	111.6	N89 W93 V96 L128 I145 R146	N89-Y131 PolarHBondContact O-OH 3.27Å; W93-Y131 WeakPolarHBondContact CA-OH 3.31Å; W93-Y131 HydrophobicContact CB-CE1 4.01Å; V96-Y131 HydrophobicContact CG2-CE2 4.25Å; L128-Y131 HydrophobicContact CD2-CD2 3.98Å; L128-Y131 WeakPolarHBondContact O-CB 3.16Å; L128-Y131 PolarHBondContact O-N 3.41Å; Y131-I145 HydrophobicContact CD1-CB 4.08Å; Y131-I145 HydrophobicContact CD1-CD1 3.46Å; Y131-I145 VanDerWaalsContact CD1-CD1 3.46Å; Y131-I145 HydrophobicContact CD1-CG1 4.38Å; Y131-I145 HydrophobicContact CD1-CG2 4.1Å; Y131-I145 HydrophobicContact CE1-CD1 3.23Å; Y131-I145 HydrophobicContact CE2-CD1 4.48Å; Y131-I145 HydrophobicContact CG-CB 4.41Å; Y131-I145 HydrophobicContact CG-CD1 4.19Å; Y131-I145 HydrophobicContact CG-CG2 3.94Å; Y131-R146 WeakPolarHBondContact O-CD 3.48Å; Y131-R146 WeakPolarHBondContact O-CG 3.31Å; Y131-R146 PolarHBondContact O-NH1 3.25Å
132	Q	93.4	Very high	94.1	Very high	164 Å²	164	82.4 Å²	82.4	77%	0.766	38%	0.38	S	S	*	.			trans	-125.3	129.6	-177.7	-72.7	176.8	-14.3	0	0	110.4	S130	S130-Q132 PolarHBondContact O-N 3.31Å
133	Y	94.3	Very high	94.2	Very high	64 Å²	64	87.2 Å²	87.2	25%	0.251	40%	0.402	S	S	.	.			trans	-153.4	119.5	171.1	-176.6	-80.8	0	0	0	109.2	R91 W93 D135 D140 Q141 G142	R91-Y133 WeakPolarHBondContact O-CE2 3.39Å; W93-Y133 HydrophobicContact CB-CD1 4.3Å; W93-Y133 HydrophobicContact CB-CD2 4.2Å; W93-Y133 HydrophobicContact CB-CG 3.97Å; W93-Y133 AromaticContact CD1-CD1 3.46Å; W93-Y133 VanDerWaalsContact CD1-CD1 3.46Å; W93-Y133 AromaticContact CD1-CE1 3.22Å; W93-Y133 AromaticContact CD1-CE2 3.89Å; W93-Y133 AromaticContact CD1-CG 3.88Å; W93-Y133 AromaticContact CD1-CZ 3.45Å; W93-Y133 VanDerWaalsContact CD1-CZ 3.45Å; W93-Y133 AromaticContact CG-CD1 3.96Å; W93-Y133 HydrophobicContact CG-CD1 3.96Å; W93-Y133 HydrophobicContact CG-CE1 4.15Å; W93-Y133 HydrophobicContact CG-CG 4.13Å; W93-Y133 AromaticContact NE1-CE1 3.6Å; Y133-D135 HydrophobicContact CE1-CB 4.13Å; Y133-D140 CarbonylContact O-C 3.58Å; Y133-D140 WeakPolarHBondContact O-CA 3.39Å; Y133-Q141 HydrophobicContact CD1-CB 3.85Å; Y133-Q141 HydrophobicContact CD1-CG 4.1Å; Y133-Q141 HydrophobicContact CE1-CG 4.37Å; Y133-Q141 PolarHBondContact O-N 3.41Å; Y133-G142 PolarHBondContact O-N 2.93Å
134	M	92.4	Very high	94.1	Very high	108 Å²	108	83.4 Å²	83.4	53%	0.532	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-101.2	128.4	171.7	-62.4	-61.2	-74	0	0	108.4	D138 D140	M134-D138 HydrophobicContact CE-CB 4.33Å; M134-D138 WeakPolarHBondContact CE-O 3.22Å; M134-D140 HydrophobicContact SD-CB 3.76Å
135	D	89.8	Confident	94.1	Very high	23 Å²	23	80.6 Å²	80.6	12%	0.123	37%	0.374	C	S	.	.			trans	-79.8	173.1	173.1	74.9	12	0	0	0	111.9	Y133 R137 D138 R139 Q141	Y133-D135 HydrophobicContact CE1-CB 4.13Å; D135-R137 PolarHBondContact O-N 3.45Å; D135-R137 VanDerWaalsContact OD1-C 3.31Å; D135-R137 WeakPolarHBondContact OD1-CA 3.1Å; D135-R137 WeakPolarHBondContact OD1-CB 3.39Å; D135-R137 PolarHBondContact OD1-N 2.99Å; D135-D138 PolarHBondContact O-N 3.18Å; D135-D138 PolarHBondContact OD1-N 2.84Å; D135-R139 PolarHBondContact N-O 2.93Å; D135-R139 WeakPolarHBondContact OD1-CA 3.46Å; D135-R139 WeakPolarHBondContact OD1-CB 3.27Å; D135-R139 PolarHBondContact OD1-N 3.05Å; D135-R139 IonicContact OD1-NE 3.69Å; D135-R139 IonicContact OD2-CZ 3.2Å; D135-R139 VanDerWaalsContact OD2-CZ 3.26Å; D135-R139 IonicContact OD2-NE 3.93Å; D135-R139 PolarHBondContact OD2-NE 3.24Å; D135-R139 IonicContact OD2-NH2 3.58Å; D135-R139 PolarHBondContact OD2-NH2 3.27Å; D135-Q141 HydrophobicContact CB-CG 4.13Å; D135-Q141 PolarHBondContact OD2-NE2 3.12Å
136	E	91	Very high	94.1	Very high	199 Å²	199	83.2 Å²	83.2	93%	0.93	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.3	179.5	-60.9	174.4	175.3	0	0	114
137	R	92.4	Very high	94.2	Very high	196 Å²	196	83.7 Å²	83.7	74%	0.74	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	21.4	178.2	-57.7	-176.9	-178.8	-173.6	-0.5	111.5	D135 R139	D135-R137 PolarHBondContact O-N 3.45Å; D135-R137 VanDerWaalsContact OD1-C 3.31Å; D135-R137 WeakPolarHBondContact OD1-CA 3.1Å; D135-R137 WeakPolarHBondContact OD1-CB 3.39Å; D135-R137 PolarHBondContact OD1-N 2.99Å; R137-R139 HydrophobicContact CB-CG 4.32Å; R137-R139 PolarHBondContact O-N 2.95Å
138	D	89.8	Confident	94.2	Very high	135 Å²	135	81.1 Å²	81.1	72%	0.722	37%	0.374	S	S	*	.	S	Bend	trans	54.9	29.8	-176.9	-66.8	-46.2	0	0	0	114	M134 D135	M134-D138 HydrophobicContact CE-CB 4.33Å; M134-D138 WeakPolarHBondContact CE-O 3.22Å; D135-D138 PolarHBondContact O-N 3.18Å; D135-D138 PolarHBondContact OD1-N 2.84Å
139	R	92.9	Very high	94.3	Very high	130 Å²	130	81.1 Å²	81.1	49%	0.491	37%	0.373	S	S	.	.			trans	-96	131.1	174.1	-52.5	-179.1	-63.1	179.7	0.8	110.5	D135 R137 Q141	D135-R139 PolarHBondContact N-O 2.93Å; D135-R139 WeakPolarHBondContact OD1-CA 3.46Å; D135-R139 WeakPolarHBondContact OD1-CB 3.27Å; D135-R139 PolarHBondContact OD1-N 3.05Å; D135-R139 IonicContact OD1-NE 3.69Å; D135-R139 IonicContact OD2-CZ 3.2Å; D135-R139 VanDerWaalsContact OD2-CZ 3.26Å; D135-R139 IonicContact OD2-NE 3.93Å; D135-R139 PolarHBondContact OD2-NE 3.24Å; D135-R139 IonicContact OD2-NH2 3.58Å; D135-R139 PolarHBondContact OD2-NH2 3.27Å; R137-R139 HydrophobicContact CB-CG 4.32Å; R137-R139 PolarHBondContact O-N 2.95Å; R139-Q141 PolarHBondContact O-N 3.27Å
140	D	93.9	Very high	94.4	Very high	54 Å²	54	82.5 Å²	82.5	29%	0.289	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-75.7	92.1	175.6	-175.8	-1.8	0	0	0	111	Y133 M134 G142 Q143 R146	Y133-D140 CarbonylContact O-C 3.58Å; Y133-D140 WeakPolarHBondContact O-CA 3.39Å; M134-D140 HydrophobicContact SD-CB 3.76Å; D140-G142 WeakPolarHBondContact OD1-CA 3.26Å; D140-G142 PolarHBondContact OD1-N 2.88Å; D140-Q143 PolarHBondContact OD1-N 3.33Å; D140-R146 IonicContact OD1-CZ 3.39Å; D140-R146 IonicContact OD1-NH1 2.71Å; D140-R146 PolarHBondContact OD1-NH1 2.93Å; D140-R146 IonicContact OD1-NH2 3.42Å; D140-R146 IonicContact OD2-CZ 3.56Å; D140-R146 IonicContact OD2-NH1 3.3Å; D140-R146 PolarHBondContact OD2-NH1 3.42Å; D140-R146 IonicContact OD2-NH2 2.84Å; D140-R146 PolarHBondContact OD2-NH2 3.31Å
141	Q	93.4	Very high	94.5	Very high	13 Å²	13	81 Å²	81	6%	0.061	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.3	171.7	-55.8	-64.2	-19.5	0	0	111.5	W93 Y133 D135 R139 Q143 K144	W93-Q141 HydrophobicContact CD2-CB 3.59Å; W93-Q141 HydrophobicContact CD2-CG 4.15Å; W93-Q141 HydrophobicContact CE3-CB 3.92Å; W93-Q141 HydrophobicContact CG-CB 3.97Å; W93-Q141 HydrophobicContact CH2-CB 4.41Å; W93-Q141 HydrophobicContact CH2-CG 4.4Å; W93-Q141 HydrophobicContact CZ2-CB 4.11Å; W93-Q141 HydrophobicContact CZ2-CG 3.82Å; W93-Q141 HydrophobicContact CZ3-CB 4.32Å; Y133-Q141 HydrophobicContact CD1-CB 3.85Å; Y133-Q141 HydrophobicContact CD1-CG 4.1Å; Y133-Q141 HydrophobicContact CE1-CG 4.37Å; Y133-Q141 PolarHBondContact O-N 3.41Å; D135-Q141 HydrophobicContact CB-CG 4.13Å; D135-Q141 PolarHBondContact OD2-NE2 3.12Å; R139-Q141 PolarHBondContact O-N 3.27Å; Q141-Q143 PolarHBondContact O-N 2.93Å; Q141-K144 WeakPolarHBondContact O-CB 3.44Å; Q141-K144 PolarHBondContact O-N 3.24Å
142	G	94.3	Very high	94.6	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-29.7	175.5	0	0	0	0	0	112.7	Y133 D140 K144 I145 R146	Y133-G142 PolarHBondContact O-N 2.93Å; D140-G142 WeakPolarHBondContact OD1-CA 3.26Å; D140-G142 PolarHBondContact OD1-N 2.88Å; G142-K144 PolarHBondContact O-N 3.33Å; G142-I145 PolarHBondContact O-N 3.26Å; G142-R146 VanDerWaalsContact C-NH1 3.25Å; G142-R146 WeakPolarHBondContact O-CG 3.33Å; G142-R146 PolarHBondContact O-N 3.11Å
143	Q	96.1	Very high	94.8	Very high	127 Å²	127	72.8 Å²	72.8	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-54.2	-38.6	175.6	-169.4	-178	27.1	0	0	112.6	D140 Q141 I145 R146 H147	D140-Q143 PolarHBondContact OD1-N 3.33Å; Q141-Q143 PolarHBondContact O-N 2.93Å; Q143-I145 VanDerWaalsContact C-N 3.35Å; Q143-I145 PolarHBondContact O-N 2.58Å; Q143-R146 PolarHBondContact O-N 2.63Å; Q143-H147 WeakPolarHBondContact O-CB 3.39Å; Q143-H147 PolarHBondContact O-N 3.32Å
144	K	94.2	Very high	94.9	Very high	95 Å²	95	74.7 Å²	74.7	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-40.6	178.6	-65.7	174.4	177.5	166.6	0	112.1	W93 Y97 Q141 G142 R148	W93-K144 HydrophobicContact CH2-CD 4.47Å; W93-K144 HydrophobicContact CZ3-CD 4.04Å; Y97-K144 HydrophobicContact CD2-CB 4.16Å; Y97-K144 HydrophobicContact CE2-CB 4.13Å; Q141-K144 WeakPolarHBondContact O-CB 3.44Å; Q141-K144 PolarHBondContact O-N 3.24Å; G142-K144 PolarHBondContact O-N 3.33Å; K144-R148 VanDerWaalsContact O-CB 3.31Å; K144-R148 WeakPolarHBondContact O-CB 3.3Å; K144-R148 PolarHBondContact O-N 2.97Å
145	I	96.4	Very high	95	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-47.2	178.4	-69.3	162.7	0	0	0	109.8	W93 V96 Y97 L100 L128 Y131 G142 Q143 H147 R148 V149	W93-I145 HydrophobicContact CB-CD1 3.82Å; V96-I145 HydrophobicContact CB-CD1 3.9Å; V96-I145 HydrophobicContact CB-CG1 4.48Å; V96-I145 HydrophobicContact CG1-CD1 4Å; V96-I145 HydrophobicContact CG1-CG1 4.26Å; V96-I145 HydrophobicContact CG1-CG2 3.92Å; Y97-I145 HydrophobicContact CD2-CG1 4.42Å; L100-I145 HydrophobicContact CD1-CG2 3.95Å; L128-I145 HydrophobicContact CB-CG2 4.12Å; Y131-I145 HydrophobicContact CD1-CB 4.08Å; Y131-I145 HydrophobicContact CD1-CD1 3.46Å; Y131-I145 VanDerWaalsContact CD1-CD1 3.46Å; Y131-I145 HydrophobicContact CD1-CG1 4.38Å; Y131-I145 HydrophobicContact CD1-CG2 4.1Å; Y131-I145 HydrophobicContact CE1-CD1 3.23Å; Y131-I145 HydrophobicContact CE2-CD1 4.48Å; Y131-I145 HydrophobicContact CG-CB 4.41Å; Y131-I145 HydrophobicContact CG-CD1 4.19Å; Y131-I145 HydrophobicContact CG-CG2 3.94Å; G142-I145 PolarHBondContact O-N 3.26Å; Q143-I145 VanDerWaalsContact C-N 3.35Å; Q143-I145 PolarHBondContact O-N 2.58Å; I145-H147 VanDerWaalsContact C-N 3.3Å; I145-H147 PolarHBondContact O-N 2.86Å; I145-R148 PolarHBondContact O-N 3.38Å; I145-V149 WeakPolarHBondContact O-CG1 3.2Å; I145-V149 PolarHBondContact O-N 3.41Å
146	R	97.6	Very high	95.3	Very high	56 Å²	56	68.5 Å²	68.5	21%	0.211	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-40.6	178.4	-65.2	-169.2	-56.2	-90.4	5.6	112.2	E129 Y131 D140 G142 Q143 V149 K150	E129-R146 WeakPolarHBondContact O-CD 3.47Å; E129-R146 VanDerWaalsContact O-CG 3.26Å; E129-R146 WeakPolarHBondContact O-CG 3.01Å; Y131-R146 WeakPolarHBondContact O-CD 3.48Å; Y131-R146 WeakPolarHBondContact O-CG 3.31Å; Y131-R146 PolarHBondContact O-NH1 3.25Å; D140-R146 IonicContact OD1-CZ 3.39Å; D140-R146 IonicContact OD1-NH1 2.71Å; D140-R146 PolarHBondContact OD1-NH1 2.93Å; D140-R146 IonicContact OD1-NH2 3.42Å; D140-R146 IonicContact OD2-CZ 3.56Å; D140-R146 IonicContact OD2-NH1 3.3Å; D140-R146 PolarHBondContact OD2-NH1 3.42Å; D140-R146 IonicContact OD2-NH2 2.84Å; D140-R146 PolarHBondContact OD2-NH2 3.31Å; G142-R146 VanDerWaalsContact C-NH1 3.25Å; G142-R146 WeakPolarHBondContact O-CG 3.33Å; G142-R146 PolarHBondContact O-N 3.11Å; Q143-R146 PolarHBondContact O-N 2.63Å; R146-V149 WeakPolarHBondContact O-CG1 3.29Å; R146-K150 VanDerWaalsContact O-CG 3.3Å; R146-K150 WeakPolarHBondContact O-CG 3.37Å; R146-K150 PolarHBondContact O-N 3.34Å
147	H	97.4	Very high	95.6	Very high	112 Å²	112	64.2 Å²	64.2	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-67.5	-50	175.7	-179.1	64.2	0	0	0	111.5	Q143 I145 V149 K150 E151	Q143-H147 WeakPolarHBondContact O-CB 3.39Å; Q143-H147 PolarHBondContact O-N 3.32Å; I145-H147 VanDerWaalsContact C-N 3.3Å; I145-H147 PolarHBondContact O-N 2.86Å; H147-V149 PolarHBondContact O-N 2.75Å; H147-K150 WeakPolarHBondContact O-CB 3.35Å; H147-K150 PolarHBondContact O-N 3.13Å; H147-E151 IonicContact CD2-OE1 2.78Å; H147-E151 IonicContact CE1-OE1 3.26Å; H147-E151 IonicContact NE2-OE1 3.2Å; H147-E151 PolarHBondContact NE2-OE1 2.7Å; H147-E151 PolarHBondContact O-N 2.84Å
148	R	96.8	Very high	95.7	Very high	53 Å²	53	57.9 Å²	57.9	20%	0.2	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-41.2	-177.6	-174.3	66.8	66.7	-157.9	3.8	112.6	Y97 L100 E104 K144 I145 K150 E151 V152	Y97-R148 HydrophobicContact CE2-CB 4.23Å; Y97-R148 HydrophobicContact CE2-CG 4.45Å; Y97-R148 PolarHBondContact OH-NH2 3.14Å; L100-R148 HydrophobicContact CB-CG 3.8Å; L100-R148 HydrophobicContact CD1-CB 4.2Å; L100-R148 HydrophobicContact CD1-CG 4.19Å; E104-R148 WeakPolarHBondContact OE2-CD 3.28Å; E104-R148 IonicContact OE2-NE 2.75Å; E104-R148 IonicContact OE2-NH1 3.7Å; K144-R148 VanDerWaalsContact O-CB 3.31Å; K144-R148 WeakPolarHBondContact O-CB 3.3Å; K144-R148 PolarHBondContact O-N 2.97Å; I145-R148 PolarHBondContact O-N 3.38Å; R148-K150 VanDerWaalsContact C-N 3.31Å; R148-K150 PolarHBondContact O-N 3.22Å; R148-E151 IonicContact CZ-OE2 2.82Å; R148-E151 IonicContact NE-OE2 3.44Å; R148-E151 IonicContact NH1-OE2 3.75Å; R148-E151 PolarHBondContact NH1-OE2 2.67Å; R148-E151 PolarHBondContact O-N 3Å; R148-V152 WeakPolarHBondContact O-CG2 3.2Å; R148-V152 PolarHBondContact O-N 3.17Å
149	V	97.7	Very high	95.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.5	-33.9	-179.3	71.2	0	0	0	0	112.1	L100 L125 L128 E129 I145 R146 H147 V152 I153	L100-V149 HydrophobicContact CD1-CB 4.18Å; L100-V149 HydrophobicContact CD2-CB 4.31Å; L100-V149 HydrophobicContact CD2-CG2 4.23Å; L125-V149 HydrophobicContact CB-CG2 4Å; L125-V149 HydrophobicContact CD2-CG2 4.28Å; L125-V149 VanDerWaalsContact O-CG2 3.29Å; L125-V149 WeakPolarHBondContact O-CG2 3.43Å; L128-V149 HydrophobicContact CB-CB 4.22Å; L128-V149 HydrophobicContact CB-CG1 4.1Å; L128-V149 HydrophobicContact CB-CG2 4.11Å; L128-V149 HydrophobicContact CD1-CG2 4.49Å; E129-V149 HydrophobicContact CB-CG1 4.48Å; E129-V149 HydrophobicContact CG-CG1 3.83Å; I145-V149 WeakPolarHBondContact O-CG1 3.2Å; I145-V149 PolarHBondContact O-N 3.41Å; R146-V149 WeakPolarHBondContact O-CG1 3.29Å; H147-V149 PolarHBondContact O-N 2.75Å; V149-V152 PolarHBondContact O-N 3.32Å; V149-I153 HydrophobicContact CG2-CD1 3.98Å; V149-I153 HydrophobicContact CG2-CG1 4.35Å; V149-I153 WeakPolarHBondContact O-CB 3.41Å; V149-I153 VanDerWaalsContact O-CG1 3.29Å; V149-I153 WeakPolarHBondContact O-CG1 3.37Å; V149-I153 PolarHBondContact O-N 3.26Å
150	K	97.6	Very high	96	Very high	101 Å²	101	55.4 Å²	55.4	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-48.2	172.5	-73.3	176.5	179.4	-168.3	0	111.3	E129 R146 H147 R148 V152 I153 E154	E129-K150 HydrophobicContact CG-CG 4.46Å; R146-K150 VanDerWaalsContact O-CG 3.3Å; R146-K150 WeakPolarHBondContact O-CG 3.37Å; R146-K150 PolarHBondContact O-N 3.34Å; H147-K150 WeakPolarHBondContact O-CB 3.35Å; H147-K150 PolarHBondContact O-N 3.13Å; R148-K150 VanDerWaalsContact C-N 3.31Å; R148-K150 PolarHBondContact O-N 3.22Å; K150-V152 VanDerWaalsContact C-N 3.29Å; K150-V152 PolarHBondContact O-N 3.18Å; K150-I153 PolarHBondContact O-N 3.01Å; K150-E154 WeakPolarHBondContact O-CB 3.27Å; K150-E154 VanDerWaalsContact O-CG 3.3Å; K150-E154 WeakPolarHBondContact O-CG 3.23Å; K150-E154 PolarHBondContact O-N 2.94Å
151	E	97.1	Very high	96	Very high	55 Å²	55	56.7 Å²	56.7	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-40.5	176.3	-65.2	179.4	147.8	0	0	112.3	H147 R148 L155	H147-E151 IonicContact CD2-OE1 2.78Å; H147-E151 IonicContact CE1-OE1 3.26Å; H147-E151 IonicContact NE2-OE1 3.2Å; H147-E151 PolarHBondContact NE2-OE1 2.7Å; H147-E151 PolarHBondContact O-N 2.84Å; R148-E151 IonicContact CZ-OE2 2.82Å; R148-E151 IonicContact NE-OE2 3.44Å; R148-E151 IonicContact NH1-OE2 3.75Å; R148-E151 PolarHBondContact NH1-OE2 2.67Å; R148-E151 PolarHBondContact O-N 3Å; E151-L155 VanDerWaalsContact O-CB 3.3Å; E151-L155 WeakPolarHBondContact O-CB 3.38Å; E151-L155 PolarHBondContact O-N 3.45Å
152	V	97.6	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-43.9	176.9	170.9	0	0	0	0	111.2	L103 E104 I107 L125 R148 V149 K150 L155 L156	L103-V152 HydrophobicContact CD2-CG1 4.2Å; E104-V152 HydrophobicContact CB-CG2 4.04Å; E104-V152 HydrophobicContact CG-CG2 4.3Å; I107-V152 HydrophobicContact CD1-CG1 4Å; L125-V152 HydrophobicContact CD1-CG1 4.27Å; R148-V152 WeakPolarHBondContact O-CG2 3.2Å; R148-V152 PolarHBondContact O-N 3.17Å; V149-V152 PolarHBondContact O-N 3.32Å; K150-V152 VanDerWaalsContact C-N 3.29Å; K150-V152 PolarHBondContact O-N 3.18Å; V152-L155 PolarHBondContact O-N 3.35Å; V152-L156 HydrophobicContact CG1-CD1 4.05Å; V152-L156 WeakPolarHBondContact O-CB 3.37Å; V152-L156 VanDerWaalsContact O-CG 3.29Å; V152-L156 WeakPolarHBondContact O-CG 3.47Å; V152-L156 PolarHBondContact O-N 3.48Å
153	I	97.4	Very high	96	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-46.1	177.9	-70.5	167.9	0	0	0	110.4	M122 L125 R126 E129 V149 K150 L155 L156 Q157	M122-I153 HydrophobicContact CG-CG1 4.47Å; M122-I153 HydrophobicContact SD-CG2 4.28Å; L125-I153 HydrophobicContact CB-CD1 4.28Å; L125-I153 HydrophobicContact CB-CG1 4.3Å; R126-I153 HydrophobicContact CG-CD1 3.83Å; E129-I153 HydrophobicContact CG-CD1 4.18Å; V149-I153 HydrophobicContact CG2-CD1 3.98Å; V149-I153 HydrophobicContact CG2-CG1 4.35Å; V149-I153 WeakPolarHBondContact O-CB 3.41Å; V149-I153 VanDerWaalsContact O-CG1 3.29Å; V149-I153 WeakPolarHBondContact O-CG1 3.37Å; V149-I153 PolarHBondContact O-N 3.26Å; K150-I153 PolarHBondContact O-N 3.01Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 3.26Å; I153-L156 PolarHBondContact O-N 3.06Å; I153-L156 VanDerWaalsContact O-N 3.1Å; I153-Q157 HydrophobicContact CG2-CG 4.42Å; I153-Q157 WeakPolarHBondContact O-CG 3.33Å; I153-Q157 PolarHBondContact O-N 3.21Å
154	E	96.8	Very high	95.9	Very high	103 Å²	103	61.7 Å²	61.7	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-44.4	176.1	-73.8	171.7	-171.2	0	0	111.3	K150 L156 Q157 D158	K150-E154 WeakPolarHBondContact O-CB 3.27Å; K150-E154 VanDerWaalsContact O-CG 3.3Å; K150-E154 WeakPolarHBondContact O-CG 3.23Å; K150-E154 PolarHBondContact O-N 2.94Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.24Å; E154-Q157 PolarHBondContact O-N 2.85Å; E154-D158 PolarHBondContact O-N 3.35Å
155	L	95.8	Very high	95.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-37.2	175.2	179.4	62.8	0	0	0	112.4	I107 R108 E151 V152 I153 Q157 R161 L162	I107-L155 HydrophobicContact CG2-CD2 3.93Å; I107-L155 HydrophobicContact CG2-CG 4.31Å; R108-L155 HydrophobicContact CG-CD2 4.42Å; E151-L155 VanDerWaalsContact O-CB 3.3Å; E151-L155 WeakPolarHBondContact O-CB 3.38Å; E151-L155 PolarHBondContact O-N 3.45Å; V152-L155 PolarHBondContact O-N 3.35Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 3.26Å; L155-Q157 VanDerWaalsContact C-N 3.29Å; L155-R161 HydrophobicContact CD1-CG 4.16Å; L155-L162 HydrophobicContact CD1-CB 4.3Å; L155-L162 HydrophobicContact CD1-CD1 4.11Å; L155-L162 HydrophobicContact CG-CD1 4.18Å
156	L	96.2	Very high	95.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.7	-21.5	176.9	-73.9	170.2	0	0	0	113.1	I107 I115 A118 R119 M122 L125 V152 I153 E154	I107-L156 HydrophobicContact CD1-CD1 4.23Å; I107-L156 HydrophobicContact CD1-CD2 3.73Å; I107-L156 HydrophobicContact CD1-CG 4Å; I107-L156 HydrophobicContact CG1-CD2 4.14Å; I107-L156 HydrophobicContact CG2-CD2 4.36Å; I115-L156 HydrophobicContact CG2-CD2 4.31Å; A118-L156 HydrophobicContact CB-CD1 3.83Å; A118-L156 HydrophobicContact CB-CD2 3.8Å; A118-L156 HydrophobicContact CB-CG 4.49Å; R119-L156 HydrophobicContact CG-CD2 4.41Å; R119-L156 VanDerWaalsContact CZ-O 3.29Å; R119-L156 PolarHBondContact NE-O 2.83Å; R119-L156 PolarHBondContact NH2-O 3.03Å; M122-L156 HydrophobicContact CE-CB 3.76Å; M122-L156 HydrophobicContact CE-CD1 4.44Å; L125-L156 HydrophobicContact CD1-CD1 3.96Å; V152-L156 HydrophobicContact CG1-CD1 4.05Å; V152-L156 WeakPolarHBondContact O-CB 3.37Å; V152-L156 VanDerWaalsContact O-CG 3.29Å; V152-L156 WeakPolarHBondContact O-CG 3.47Å; V152-L156 PolarHBondContact O-N 3.48Å; I153-L156 PolarHBondContact O-N 3.06Å; I153-L156 VanDerWaalsContact O-N 3.1Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.24Å
157	Q	95.9	Very high	95.3	Very high	109 Å²	109	63.8 Å²	63.8	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-90.7	-27.6	179.4	-71.6	178.1	-35.8	0	0	113	M122 I153 E154 L155 D159	M122-Q157 HydrophobicContact CE-CG 4.12Å; M122-Q157 HydrophobicContact SD-CG 4.22Å; I153-Q157 HydrophobicContact CG2-CG 4.42Å; I153-Q157 WeakPolarHBondContact O-CG 3.33Å; I153-Q157 PolarHBondContact O-N 3.21Å; E154-Q157 PolarHBondContact O-N 2.85Å; L155-Q157 VanDerWaalsContact C-N 3.29Å; Q157-D159 PolarHBondContact O-N 2.87Å
158	D	95.7	Very high	94.9	Very high	63 Å²	63	63.1 Å²	63.1	34%	0.337	29%	0.286	S	S	.	.			trans	-94.2	90.4	178.3	-173.3	-18.4	0	0	0	111.6	E154 E160 R161 L162	E154-D158 PolarHBondContact O-N 3.35Å; D158-E160 VanDerWaalsContact C-N 3.29Å; D158-E160 PolarHBondContact O-N 3.23Å; D158-E160 PolarHBondContact OD1-N 3.39Å; D158-R161 HydrophobicContact CB-CB 3.89Å; D158-R161 PolarHBondContact O-N 3.1Å; D158-R161 WeakPolarHBondContact OD1-CB 3.39Å; D158-R161 PolarHBondContact OD1-N 2.95Å; D158-R161 WeakPolarHBondContact OD2-CB 3.39Å; D158-L162 VanDerWaalsContact O-CB 3.27Å; D158-L162 WeakPolarHBondContact O-CB 3.4Å; D158-L162 PolarHBondContact O-N 3.37Å
159	D	93.5	Very high	94.4	Very high	82 Å²	82	61.3 Å²	61.3	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-39.1	178.7	-86.6	-46.3	0	0	0	113	R119 Q157 L162 Q163	R119-D159 IonicContact CZ-OD1 3.97Å; R119-D159 VanDerWaalsContact CZ-OD1 3.27Å; R119-D159 IonicContact NH1-OD1 2.77Å; R119-D159 PolarHBondContact NH1-OD1 3.46Å; R119-D159 IonicContact NH1-OD2 4Å; R119-D159 VanDerWaalsContact NH2-CG 3.34Å; R119-D159 IonicContact NH2-OD1 3.99Å; R119-D159 PolarHBondContact NH2-OD1 3.08Å; R119-D159 IonicContact NH2-OD2 3.38Å; Q157-D159 PolarHBondContact O-N 2.87Å; D159-L162 PolarHBondContact O-N 2.87Å; D159-Q163 WeakPolarHBondContact O-CB 3.33Å; D159-Q163 VanDerWaalsContact O-CG 3.27Å; D159-Q163 WeakPolarHBondContact O-CG 3.17Å; D159-Q163 PolarHBondContact O-N 3.45Å
160	E	95	Very high	93.8	Very high	131 Å²	131	68 Å²	68	61%	0.612	31%	0.308	S	S	*	.	H	α-helix	trans	-69.2	-46.9	-178.2	-63.1	-169.4	174.6	0	0	111.4	D158 L162 Q163 R164	D158-E160 VanDerWaalsContact C-N 3.29Å; D158-E160 PolarHBondContact O-N 3.23Å; D158-E160 PolarHBondContact OD1-N 3.39Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.39Å; E160-Q163 PolarHBondContact O-N 2.92Å; E160-R164 WeakPolarHBondContact O-CG 3.33Å; E160-R164 PolarHBondContact O-N 3.38Å; E160-R164 IonicContact OE2-NH1 3.22Å; E160-R164 PolarHBondContact OE2-NH1 3.33Å
161	R	93.5	Very high	93.2	Very high	82 Å²	82	69.8 Å²	69.8	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-45.1	174.8	177.4	-178.5	173.8	-174	-1.4	110.6	L155 D158 Q163 R164 E165	L155-R161 HydrophobicContact CD1-CG 4.16Å; D158-R161 HydrophobicContact CB-CB 3.89Å; D158-R161 PolarHBondContact O-N 3.1Å; D158-R161 WeakPolarHBondContact OD1-CB 3.39Å; D158-R161 PolarHBondContact OD1-N 2.95Å; D158-R161 WeakPolarHBondContact OD2-CB 3.39Å; R161-Q163 VanDerWaalsContact C-N 3.34Å; R161-Q163 PolarHBondContact O-N 3.2Å; R161-R164 PolarHBondContact O-N 2.89Å; R161-E165 HydrophobicContact CG-CG 4.36Å; R161-E165 IonicContact CZ-OE1 3.63Å; R161-E165 IonicContact NE-OE1 2.64Å; R161-E165 PolarHBondContact NE-OE1 3.13Å; R161-E165 IonicContact NH2-OE1 3.27Å; R161-E165 PolarHBondContact NH2-OE1 2.9Å; R161-E165 WeakPolarHBondContact O-CG 3.31Å; R161-E165 PolarHBondContact O-N 2.94Å
162	L	94.1	Very high	92.4	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-45	178.7	-179.7	57	0	0	0	111.8	I107 I115 L155 D158 D159 E160 E165 R166	I107-L162 HydrophobicContact CG2-CD1 3.37Å; I115-L162 HydrophobicContact CD1-CD2 3.85Å; I115-L162 HydrophobicContact CD1-CG 4.34Å; I115-L162 HydrophobicContact CG1-CD2 4.07Å; I115-L162 HydrophobicContact CG2-CD2 3.62Å; L155-L162 HydrophobicContact CD1-CB 4.3Å; L155-L162 HydrophobicContact CD1-CD1 4.11Å; L155-L162 HydrophobicContact CG-CD1 4.18Å; D158-L162 VanDerWaalsContact O-CB 3.27Å; D158-L162 WeakPolarHBondContact O-CB 3.4Å; D158-L162 PolarHBondContact O-N 3.37Å; D159-L162 PolarHBondContact O-N 2.87Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.39Å; L162-E165 PolarHBondContact O-N 2.94Å; L162-R166 HydrophobicContact CD1-CG 4.28Å; L162-R166 WeakPolarHBondContact O-CB 3.37Å; L162-R166 VanDerWaalsContact O-CG 3.29Å; L162-R166 WeakPolarHBondContact O-CG 3.32Å; L162-R166 PolarHBondContact O-N 2.91Å
163	Q	93.5	Very high	91.3	Very high	115 Å²	115	74.2 Å²	74.2	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-41.1	175.8	-74.3	-177.3	10.9	0	0	112.4	D159 E160 R161 K167	D159-Q163 WeakPolarHBondContact O-CB 3.33Å; D159-Q163 VanDerWaalsContact O-CG 3.27Å; D159-Q163 WeakPolarHBondContact O-CG 3.17Å; D159-Q163 PolarHBondContact O-N 3.45Å; E160-Q163 PolarHBondContact O-N 2.92Å; R161-Q163 VanDerWaalsContact C-N 3.34Å; R161-Q163 PolarHBondContact O-N 3.2Å; Q163-K167 VanDerWaalsContact O-CG 3.31Å; Q163-K167 WeakPolarHBondContact O-CG 3.48Å; Q163-K167 PolarHBondContact O-N 2.88Å
164	R	93.6	Very high	89.8	Confident	125 Å²	125	76.7 Å²	76.7	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-49.6	175.7	-73.3	-173.6	-63.9	-101.8	0.2	111.3	E160 R161 R166 K167 I168	E160-R164 WeakPolarHBondContact O-CG 3.33Å; E160-R164 PolarHBondContact O-N 3.38Å; E160-R164 IonicContact OE2-NH1 3.22Å; E160-R164 PolarHBondContact OE2-NH1 3.33Å; R161-R164 PolarHBondContact O-N 2.89Å; R164-R166 PolarHBondContact O-N 2.82Å; R164-K167 PolarHBondContact O-N 3.49Å; R164-I168 WeakPolarHBondContact O-CG1 3.23Å; R164-I168 PolarHBondContact O-N 3.19Å
165	E	92.1	Very high	87.7	Confident	40 Å²	40	74.6 Å²	74.6	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-40.6	179.8	-71.5	-171.2	-161.4	0	0	111.9	R108 R161 L162 I168 A169	R108-E165 IonicContact CZ-OE2 2.66Å; R108-E165 IonicContact NE-OE2 3.18Å; R108-E165 PolarHBondContact NE-OE2 2.74Å; R108-E165 IonicContact NH2-OE2 3.87Å; R108-E165 PolarHBondContact NH2-OE2 3Å; R161-E165 HydrophobicContact CG-CG 4.36Å; R161-E165 IonicContact CZ-OE1 3.63Å; R161-E165 IonicContact NE-OE1 2.64Å; R161-E165 PolarHBondContact NE-OE1 3.13Å; R161-E165 IonicContact NH2-OE1 3.27Å; R161-E165 PolarHBondContact NH2-OE1 2.9Å; R161-E165 WeakPolarHBondContact O-CG 3.31Å; R161-E165 PolarHBondContact O-N 2.94Å; L162-E165 PolarHBondContact O-N 2.94Å; E165-I168 PolarHBondContact O-N 2.82Å; E165-A169 VanDerWaalsContact O-CB 3.32Å; E165-A169 WeakPolarHBondContact O-CB 3.4Å; E165-A169 PolarHBondContact O-N 2.94Å
166	R	93.5	Very high	85.9	Confident	15 Å²	15	84.1 Å²	84.1	6%	0.057	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-37.9	175.1	-71.7	177.2	67.7	79	-0.7	112.7	I107 R108 G110 L162 R164 A169 R170	I107-R166 PolarHBondContact O-NH1 2.66Å; R108-R166 WeakPolarHBondContact O-CG 3.42Å; G110-R166 PolarHBondContact O-NH1 2.91Å; G110-R166 PolarHBondContact O-NH2 3.42Å; L162-R166 HydrophobicContact CD1-CG 4.28Å; L162-R166 WeakPolarHBondContact O-CB 3.37Å; L162-R166 VanDerWaalsContact O-CG 3.29Å; L162-R166 WeakPolarHBondContact O-CG 3.32Å; L162-R166 PolarHBondContact O-N 2.91Å; R164-R166 PolarHBondContact O-N 2.82Å; R166-A169 PolarHBondContact O-N 3.44Å; R166-R170 WeakPolarHBondContact O-CB 3.21Å; R166-R170 VanDerWaalsContact O-CG 3.23Å; R166-R170 WeakPolarHBondContact O-CG 3.2Å; R166-R170 PolarHBondContact O-N 2.64Å
167	K	91.2	Very high	84	Confident	140 Å²	140	91.9 Å²	91.9	61%	0.609	41%	0.414	S	S	*	.	H	α-helix	trans	-63.5	-45.8	175	-75.7	173.4	-177	176.1	0	111.2	Q163 R164 R170 Y171	Q163-K167 VanDerWaalsContact O-CG 3.31Å; Q163-K167 WeakPolarHBondContact O-CG 3.48Å; Q163-K167 PolarHBondContact O-N 2.88Å; R164-K167 PolarHBondContact O-N 3.49Å; K167-R170 PolarHBondContact O-N 2.82Å; K167-Y171 PolarHBondContact O-N 2.73Å
168	I	89.4	Confident	81.7	Confident	98 Å²	98	90.7 Å²	90.7	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177	-65.5	165.4	0	0	0	110.7	R164 E165 R170 Y171 N172	R164-I168 WeakPolarHBondContact O-CG1 3.23Å; R164-I168 PolarHBondContact O-N 3.19Å; E165-I168 PolarHBondContact O-N 2.82Å; I168-R170 VanDerWaalsContact C-N 3.35Å; I168-R170 PolarHBondContact O-N 3.46Å; I168-Y171 PolarHBondContact O-N 3.39Å; I168-N172 PolarHBondContact O-N 3.12Å
169	A	86.1	Confident	79.5	Confident	16 Å²	16	91.1 Å²	91.1	13%	0.132	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-43.5	178.2	0	0	0	0	0	112.4	N109 E165 R166 N172 K173	N109-A169 WeakPolarHBondContact OD1-CB 3.35Å; E165-A169 VanDerWaalsContact O-CB 3.32Å; E165-A169 WeakPolarHBondContact O-CB 3.4Å; E165-A169 PolarHBondContact O-N 2.94Å; R166-A169 PolarHBondContact O-N 3.44Å; A169-N172 PolarHBondContact O-N 3.06Å; A169-K173 WeakPolarHBondContact O-CB 3.23Å; A169-K173 PolarHBondContact O-N 3.46Å; A169-K173 VanDerWaalsContact O-N 3.11Å
170	R	84.8	Confident	77.2	Confident	140 Å²	140	96 Å²	96	53%	0.528	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-40.4	175.1	-71.1	170.6	-175.6	-177.9	2.6	112	E112 R166 K167 I168 S174	E112-R170 IonicContact OE1-NH2 2.68Å; R166-R170 WeakPolarHBondContact O-CB 3.21Å; R166-R170 VanDerWaalsContact O-CG 3.23Å; R166-R170 WeakPolarHBondContact O-CG 3.2Å; R166-R170 PolarHBondContact O-N 2.64Å; K167-R170 PolarHBondContact O-N 2.82Å; I168-R170 VanDerWaalsContact C-N 3.35Å; I168-R170 PolarHBondContact O-N 3.46Å; R170-S174 PolarHBondContact O-N 3.05Å
171	Y	84	Confident	74.8	Confident	139 Å²	139	94.7 Å²	94.7	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-66.4	-46.8	176.7	-179.9	-94.6	0	0	0	112.5	K167 I168 K173 S174 Q175	K167-Y171 PolarHBondContact O-N 2.73Å; I168-Y171 PolarHBondContact O-N 3.39Å; Y171-K173 VanDerWaalsContact C-N 3.26Å; Y171-K173 PolarHBondContact O-N 2.79Å; Y171-S174 PolarHBondContact O-N 3.2Å; Y171-S174 VanDerWaalsContact O-N 3.07Å; Y171-S174 PolarHBondContact O-OG 2.83Å; Y171-Q175 HydrophobicContact CD1-CG 4.19Å; Y171-Q175 HydrophobicContact CE1-CG 3.75Å; Y171-Q175 PolarHBondContact O-N 3.48Å; Y171-Q175 VanDerWaalsContact O-N 3.15Å; Y171-Q175 PolarHBondContact OH-NE2 3.31Å; Y171-Q175 VanDerWaalsContact OH-NE2 3.11Å
172	N	80.8	Confident	72.3	Confident	77 Å²	77	93.7 Å²	93.7	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-59.3	-41.7	178.4	-71.5	-14.1	0	0	0	110.8	I168 A169 S174 Q175 Y176	I168-N172 PolarHBondContact O-N 3.12Å; A169-N172 PolarHBondContact O-N 3.06Å; N172-S174 VanDerWaalsContact C-N 3.3Å; N172-S174 PolarHBondContact O-N 2.84Å; N172-Q175 PolarHBondContact O-N 3.44Å; N172-Y176 WeakPolarHBondContact O-CD2 3.44Å; N172-Y176 PolarHBondContact O-N 3.39Å
173	K	75.1	Confident	70.2	Confident	71 Å²	71	99.9 Å²	99.9	31%	0.309	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-32.7	176.8	-168.9	175.8	180	-178.3	0	113.3	H66 A169 Y171 K177	H66-K173 VanDerWaalsContact CE1-CE 3.5Å; H66-K173 WeakPolarHBondContact CE1-CE 3.39Å; H66-K173 PolarHBondContact CE1-NZ 3.08Å; H66-K173 WeakPolarHBondContact NE2-CE 3.41Å; H66-K173 PolarHBondContact NE2-NZ 3.44Å; A169-K173 WeakPolarHBondContact O-CB 3.23Å; A169-K173 PolarHBondContact O-N 3.46Å; A169-K173 VanDerWaalsContact O-N 3.11Å; Y171-K173 VanDerWaalsContact C-N 3.26Å; Y171-K173 PolarHBondContact O-N 2.79Å; K173-K177 WeakPolarHBondContact O-CG 3.28Å; K173-K177 PolarHBondContact O-N 3.43Å
174	S	66.1	Low	68	Low	59 Å²	59	105.2 Å²	105.2	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-76.9	-33.7	178.3	67.1	0	0	0	0	112.8	R170 Y171 N172 K177 C178	R170-S174 PolarHBondContact O-N 3.05Å; Y171-S174 PolarHBondContact O-N 3.2Å; Y171-S174 VanDerWaalsContact O-N 3.07Å; Y171-S174 PolarHBondContact O-OG 2.83Å; N172-S174 VanDerWaalsContact C-N 3.3Å; N172-S174 PolarHBondContact O-N 2.84Å; S174-K177 PolarHBondContact O-N 3.42Å; S174-C178 PolarHBondContact O-N 3.43Å; S174-C178 VanDerWaalsContact O-N 3.08Å
175	Q	52.5	Low	65.6	Low	60 Å²	60	106.8 Å²	106.8	28%	0.28	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.9	-66.5	-59.1	-27.4	0	0	112.2	Y171 N172 K177 C178 G179	Y171-Q175 HydrophobicContact CD1-CG 4.19Å; Y171-Q175 HydrophobicContact CE1-CG 3.75Å; Y171-Q175 PolarHBondContact O-N 3.48Å; Y171-Q175 VanDerWaalsContact O-N 3.15Å; Y171-Q175 PolarHBondContact OH-NE2 3.31Å; Y171-Q175 VanDerWaalsContact OH-NE2 3.11Å; N172-Q175 PolarHBondContact O-N 3.44Å; Q175-K177 VanDerWaalsContact C-N 3.32Å; Q175-K177 PolarHBondContact O-N 3.05Å; Q175-C178 CarbonylContact O-C 3.43Å; Q175-C178 PolarHBondContact O-N 3.11Å; Q175-G179 PolarHBondContact O-N 2.93Å
176	Y	57.9	Low	63.1	Low	201 Å²	201	111 Å²	111	79%	0.788	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-35.2	178	-70.9	-69.5	0	0	0	112.8	N172	N172-Y176 WeakPolarHBondContact O-CD2 3.44Å; N172-Y176 PolarHBondContact O-N 3.39Å
177	K	55.6	Low	60.2	Low	162 Å²	162	122.2 Å²	122.2	70%	0.704	63%	0.627	S	S	*	*	H	α-helix	trans	-71.5	-32.2	176.7	-74.6	-172.3	176.6	-167.3	0	113	K173 S174 Q175	K173-K177 WeakPolarHBondContact O-CG 3.28Å; K173-K177 PolarHBondContact O-N 3.43Å; S174-K177 PolarHBondContact O-N 3.42Å; Q175-K177 VanDerWaalsContact C-N 3.32Å; Q175-K177 PolarHBondContact O-N 3.05Å
178	C	47.1	Very low	58.6	Low	84 Å²	84	121.4 Å²	121.4	57%	0.568	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	26.1	-177.9	-158.4	0	0	0	0	112.4	S174 Q175 R180	S174-C178 PolarHBondContact O-N 3.43Å; S174-C178 VanDerWaalsContact O-N 3.08Å; Q175-C178 CarbonylContact O-C 3.43Å; Q175-C178 PolarHBondContact O-N 3.11Å; C178-R180 WeakPolarHBondContact O-CB 3.22Å; C178-R180 WeakPolarHBondContact O-CG 3.41Å; C178-R180 PolarHBondContact O-N 3.09Å
179	G	49.2	Very low	57	Low	73 Å²	73	122.6 Å²	122.6	75%	0.753	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.4	20.5	167.2	0	0	0	0	0	117.3	Q175 S181	Q175-G179 PolarHBondContact O-N 2.93Å; G179-S181 PolarHBondContact O-N 3.34Å
180	R	46.3	Very low	55.4	Low	184 Å²	184	128.5 Å²	128.5	69%	0.694	66%	0.663	S	S	*	*			trans	-100.7	104.9	-168.1	-94.1	-177.7	177.5	-174.1	1	109.6	C178	C178-R180 WeakPolarHBondContact O-CB 3.22Å; C178-R180 WeakPolarHBondContact O-CG 3.41Å; C178-R180 PolarHBondContact O-N 3.09Å
181	S	44.5	Very low	53.7	Low	104 Å²	104	127.8 Å²	127.8	73%	0.727	67%	0.671	S	S	*	*			trans	10	123.6	144.1	60.3	0	0	0	0	115	G179	G179-S181 PolarHBondContact O-N 3.34Å
182	G	40.2	Very low	51.8	Low	61 Å²	61	127.1 Å²	127.1	63%	0.629	68%	0.679	S	S	*	*	S	Bend	trans	-51.5	175.8	-172.2	0	0	0	0	0	116.6	R184	G182-R184 PolarHBondContact O-N 3.29Å
183	P	51.7	Low	49.9	Very low	134 Å²	134	130.5 Å²	130.5	87%	0.87	70%	0.697	S	S	*	*			trans	-54.7	112.5	-169.3	21.7	-31.8	0	0	0	110.1	N185	P183-N185 VanDerWaalsContact C-N 3.29Å; P183-N185 PolarHBondContact O-N 3.39Å
184	R	47.2	Very low	48.1	Very low	227 Å²	227	134.7 Å²	134.7	86%	0.857	72%	0.724	S	S	*	*			trans	-63.5	104.6	158.2	-84.5	-160.2	-85	-174.1	-5.7	105	G182 V186	G182-R184 PolarHBondContact O-N 3.29Å; R184-V186 WeakPolarHBondContact O-CG2 3.41Å; R184-V186 PolarHBondContact O-N 3.41Å
185	N	42.1	Very low	46.7	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	75%	0.748	S	S	*	*			trans	-47.4	106.1	169.2	-149	15.1	0	0	0	107.2	P183	P183-N185 VanDerWaalsContact C-N 3.29Å; P183-N185 PolarHBondContact O-N 3.39Å
186	V	40.9	Very low	46.2	Very low	127 Å²	127	147.3 Å²	147.3	77%	0.77	79%	0.787	S	S	*	*			trans	-102.2	96.4	171.7	-154.5	0	0	0	0	105.5	R184	R184-V186 WeakPolarHBondContact O-CG2 3.41Å; R184-V186 PolarHBondContact O-N 3.41Å
187	M	31.5	Very low	45.1	Very low	252 Å²	252	142.4 Å²	142.4	100%	1.241	79%	0.787	S	S	*	*			trans	44.9	0	160.8	-70.5	178.1	172.2	0	0	118.6

Retrieved 187 of 187 residues in 643.3 ms (Link to these results)

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