A0A096NBL5_PAPAN Loading...

Interleukin family protein

Immune regulatory cytokine.

AlphaFold DB , UniProt , Accession A0A096NBL5, Species PAPAN (Papio anubis, Olive baboon), Gene IL20, Length 176 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	48.5	Very low	54.7	Low	238 Å²	238	115.3 Å²	115.3	100%	1.172	64%	0.643	S	S	*	*				0	57.7	0	-63	160.8	73.2	0	0	111.7
2	K	48.9	Very low	55.1	Low	181 Å²	181	110.8 Å²	110.8	79%	0.787	63%	0.625	S	S	*	*			trans	-129.8	-24.7	179.9	-73.9	-177.6	177.9	178.5	0	114
3	A	49.8	Very low	55.4	Low	82 Å²	82	106.2 Å²	106.2	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-71.3	-30.2	178.9	0	0	0	0	0	113.8	A7	A3-A7 PolarHBondContact O-N 2.89Å
4	S	55.4	Low	55.6	Low	72 Å²	72	101.8 Å²	101.8	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-41.7	-179.9	-172.7	0	0	0	0	112	L6 A7 F8	S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.32Å; S4-A7 PolarHBondContact O-N 2.88Å; S4-F8 VanDerWaalsContact O-CD2 3.22Å; S4-F8 WeakPolarHBondContact O-CD2 3.39Å; S4-F8 PolarHBondContact O-N 3.25Å; S4-F8 VanDerWaalsContact O-N 3.07Å; S4-F8 WeakPolarHBondContact OG-CE2 3.43Å
5	S	56	Low	55.7	Low	87 Å²	87	103.5 Å²	103.5	61%	0.608	59%	0.59	S	S	*	*	H	α-helix	trans	-64.1	-36.4	-178.6	-169.5	0	0	0	0	113.2	S9	S5-S9 PolarHBondContact O-N 2.8Å; S5-S9 VanDerWaalsContact O-N 3.15Å; S5-S9 PolarHBondContact O-OG 3.33Å
6	L	53.5	Low	55.8	Low	115 Å²	115	107.1 Å²	107.1	60%	0.602	59%	0.593	S	S	*	*	H	α-helix	trans	-70.3	-36.4	176.6	-80.1	155.5	0	0	0	112.4	S4 S9 L10	S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.32Å; L6-S9 VanDerWaalsContact CA-OG 3.28Å; L6-S9 WeakPolarHBondContact CA-OG 3.49Å; L6-S9 PolarHBondContact O-OG 3.22Å; L6-S9 VanDerWaalsContact O-OG 3.05Å; L6-L10 WeakPolarHBondContact O-CB 2.84Å; L6-L10 WeakPolarHBondContact O-CD1 3.33Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.46Å; L6-L10 VanDerWaalsContact O-N 3.09Å
7	A	58.2	Low	55.7	Low	49 Å²	49	109.3 Å²	109.3	41%	0.405	60%	0.602	S	S	.	*	H	α-helix	trans	-69.1	-42.1	176.4	0	0	0	0	0	112	A3 S4 S9 L10 L11	A3-A7 PolarHBondContact O-N 2.89Å; S4-A7 PolarHBondContact O-N 2.88Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 3.09Å; A7-L10 PolarHBondContact O-N 2.82Å; A7-L11 WeakPolarHBondContact O-CB 3.36Å; A7-L11 WeakPolarHBondContact O-CD1 3.24Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 2.95Å
8	F	57.4	Low	55.3	Low	139 Å²	139	110.5 Å²	110.5	61%	0.61	61%	0.607	S	S	*	*	H	α-helix	trans	-66.4	-33.3	176.9	-84	-74.1	0	0	0	113.3	S4 S12	S4-F8 VanDerWaalsContact O-CD2 3.22Å; S4-F8 WeakPolarHBondContact O-CD2 3.39Å; S4-F8 PolarHBondContact O-N 3.25Å; S4-F8 VanDerWaalsContact O-N 3.07Å; S4-F8 WeakPolarHBondContact OG-CE2 3.43Å; F8-S12 WeakPolarHBondContact O-CB 3.49Å; F8-S12 PolarHBondContact O-N 3.46Å; F8-S12 VanDerWaalsContact O-N 3.08Å; F8-S12 PolarHBondContact O-OG 2.88Å
9	S	58.5	Low	54.8	Low	61 Å²	61	113.7 Å²	113.7	43%	0.427	61%	0.609	S	S	.	*	H	α-helix	trans	-74.9	-37.9	177.1	39.2	0	0	0	0	112.6	S5 L6 A7 S12 A13	S5-S9 PolarHBondContact O-N 2.8Å; S5-S9 VanDerWaalsContact O-N 3.15Å; S5-S9 PolarHBondContact O-OG 3.33Å; L6-S9 VanDerWaalsContact CA-OG 3.28Å; L6-S9 WeakPolarHBondContact CA-OG 3.49Å; L6-S9 PolarHBondContact O-OG 3.22Å; L6-S9 VanDerWaalsContact O-OG 3.05Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 3.09Å; S9-S12 PolarHBondContact O-N 3.27Å; S9-A13 PolarHBondContact O-N 3.47Å
10	L	56.6	Low	54.4	Low	124 Å²	124	113.4 Å²	113.4	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-67.1	-39.5	173.1	-72.5	166.6	0	0	0	112.4	L6 A7 A13 A14	L6-L10 WeakPolarHBondContact O-CB 2.84Å; L6-L10 WeakPolarHBondContact O-CD1 3.33Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.46Å; L6-L10 VanDerWaalsContact O-N 3.09Å; A7-L10 PolarHBondContact O-N 2.82Å; L10-A13 PolarHBondContact O-N 3.33Å; L10-A14 PolarHBondContact O-N 2.75Å; L10-A14 VanDerWaalsContact O-N 3.08Å
11	L	58.6	Low	54.3	Low	120 Å²	120	113.7 Å²	113.7	63%	0.628	62%	0.619	S	S	*	*	H	α-helix	trans	-65.9	-38.8	175.2	-77.5	162.9	0	0	0	112.2	A7 A14 F15	A7-L11 WeakPolarHBondContact O-CB 3.36Å; A7-L11 WeakPolarHBondContact O-CD1 3.24Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 2.95Å; L11-A14 PolarHBondContact O-N 2.91Å; L11-F15 PolarHBondContact O-N 3.43Å; L11-F15 VanDerWaalsContact O-N 3.14Å
12	S	59.6	Low	54.5	Low	61 Å²	61	107.4 Å²	107.4	43%	0.427	60%	0.599	S	S	.	*	H	α-helix	trans	-65.9	-45.2	175.6	-66.8	0	0	0	0	111.8	F8 S9 A14 F15 Y16	F8-S12 WeakPolarHBondContact O-CB 3.49Å; F8-S12 PolarHBondContact O-N 3.46Å; F8-S12 VanDerWaalsContact O-N 3.08Å; F8-S12 PolarHBondContact O-OG 2.88Å; S9-S12 PolarHBondContact O-N 3.27Å; S12-A14 VanDerWaalsContact C-N 3.31Å; S12-A14 PolarHBondContact O-N 3.38Å; S12-F15 PolarHBondContact O-N 3.37Å; S12-F15 VanDerWaalsContact O-N 3.14Å; S12-Y16 WeakPolarHBondContact O-CD2 3.32Å; S12-Y16 PolarHBondContact O-N 3.39Å; S12-Y16 VanDerWaalsContact O-N 3.1Å
13	A	59.4	Low	55	Low	51 Å²	51	103.9 Å²	103.9	42%	0.421	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-36.6	177.9	0	0	0	0	0	112.7	S9 L10 Y16 L17	S9-A13 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 3.33Å; A13-Y16 PolarHBondContact O-N 3.06Å; A13-L17 WeakPolarHBondContact O-CG 3.39Å; A13-L17 PolarHBondContact O-N 3.4Å; A13-L17 VanDerWaalsContact O-N 3.16Å
14	A	58.3	Low	55.7	Low	45 Å²	45	102.4 Å²	102.4	37%	0.372	59%	0.585	S	S	.	*	H	α-helix	trans	-65.6	-37.2	173.7	0	0	0	0	0	112.4	L10 L11 S12 L17 L18	L10-A14 PolarHBondContact O-N 2.75Å; L10-A14 VanDerWaalsContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 2.91Å; S12-A14 VanDerWaalsContact C-N 3.31Å; S12-A14 PolarHBondContact O-N 3.38Å; A14-L17 PolarHBondContact O-N 3.01Å; A14-L18 WeakPolarHBondContact O-CD1 3.27Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.44Å; A14-L18 PolarHBondContact O-N 3.14Å; A14-L18 VanDerWaalsContact O-N 3.1Å
15	F	56.8	Low	57.1	Low	127 Å²	127	103.7 Å²	103.7	56%	0.557	59%	0.586	S	S	*	*	H	α-helix	trans	-67.6	-36.5	177	-153.7	-96.9	0	0	0	112.4	L11 S12 L18 W19	L11-F15 PolarHBondContact O-N 3.43Å; L11-F15 VanDerWaalsContact O-N 3.14Å; S12-F15 PolarHBondContact O-N 3.37Å; S12-F15 VanDerWaalsContact O-N 3.14Å; F15-L18 PolarHBondContact O-N 3.33Å; F15-W19 HydrophobicContact CD1-CZ2 4.18Å; F15-W19 AromaticContact CE1-CE2 3.78Å; F15-W19 HydrophobicContact CE1-CH2 4.36Å; F15-W19 AromaticContact CE1-CZ2 3.66Å; F15-W19 HydrophobicContact CE1-CZ2 3.66Å; F15-W19 AromaticContact CE1-NE1 3.93Å; F15-W19 PolarHBondContact O-N 3.09Å
16	Y	57	Low	58.7	Low	162 Å²	162	102.4 Å²	102.4	64%	0.635	57%	0.569	S	S	*	*	H	α-helix	trans	-69.8	-31.5	174	-70.9	-68.2	0	0	0	113.5	S12 A13 L18 W19	S12-Y16 WeakPolarHBondContact O-CD2 3.32Å; S12-Y16 PolarHBondContact O-N 3.39Å; S12-Y16 VanDerWaalsContact O-N 3.1Å; A13-Y16 PolarHBondContact O-N 3.06Å; Y16-L18 VanDerWaalsContact C-N 3.35Å; Y16-W19 AromaticContact CD1-CE3 3.99Å; Y16-W19 HydrophobicContact CD1-CE3 3.99Å; Y16-W19 HydrophobicContact CD1-CZ3 4.04Å; Y16-W19 HydrophobicContact CE1-CE3 4.3Å; Y16-W19 AromaticContact CE1-CZ3 3.87Å; Y16-W19 HydrophobicContact CE1-CZ3 3.87Å
17	L	53.9	Low	60.7	Low	144 Å²	144	100.6 Å²	100.6	75%	0.754	56%	0.563	S	S	*	*	H	α-helix	trans	-78.5	-19	175.3	-69	170.8	0	0	0	113.2	A13 A14	A13-L17 WeakPolarHBondContact O-CG 3.39Å; A13-L17 PolarHBondContact O-N 3.4Å; A13-L17 VanDerWaalsContact O-N 3.16Å; A14-L17 PolarHBondContact O-N 3.01Å
18	L	49.8	Very low	62.4	Low	131 Å²	131	98.2 Å²	98.2	69%	0.686	54%	0.544	S	S	*	.	H	α-helix	trans	-87.6	-13.4	174.2	-74.6	160.5	0	0	0	113	A14 F15 Y16 T20	A14-L18 WeakPolarHBondContact O-CD1 3.27Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.44Å; A14-L18 PolarHBondContact O-N 3.14Å; A14-L18 VanDerWaalsContact O-N 3.1Å; F15-L18 PolarHBondContact O-N 3.33Å; Y16-L18 VanDerWaalsContact C-N 3.35Å; L18-T20 PolarHBondContact O-N 3.3Å
19	W	44.9	Very low	64.1	Low	171 Å²	171	94.5 Å²	94.5	65%	0.648	53%	0.53	S	S	*	.			trans	-79.9	57.5	162.3	-78.1	-19.1	0	0	0	111.1	F15 Y16 P21	F15-W19 HydrophobicContact CD1-CZ2 4.18Å; F15-W19 AromaticContact CE1-CE2 3.78Å; F15-W19 HydrophobicContact CE1-CH2 4.36Å; F15-W19 AromaticContact CE1-CZ2 3.66Å; F15-W19 HydrophobicContact CE1-CZ2 3.66Å; F15-W19 AromaticContact CE1-NE1 3.93Å; F15-W19 PolarHBondContact O-N 3.09Å; Y16-W19 AromaticContact CD1-CE3 3.99Å; Y16-W19 HydrophobicContact CD1-CE3 3.99Å; Y16-W19 HydrophobicContact CD1-CZ3 4.04Å; Y16-W19 HydrophobicContact CE1-CE3 4.3Å; Y16-W19 AromaticContact CE1-CZ3 3.87Å; Y16-W19 HydrophobicContact CE1-CZ3 3.87Å; W19-P21 WeakPolarHBondContact O-CD 3.32Å
20	T	47.5	Very low	65.9	Low	107 Å²	107	91.7 Å²	91.7	66%	0.656	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-69.5	120.3	148.3	52.7	0	0	0	0	106	L18 S22	L18-T20 PolarHBondContact O-N 3.3Å; T20-S22 PolarHBondContact O-N 3.2Å
21	P	51.7	Low	67.7	Low	120 Å²	120	87.1 Å²	87.1	78%	0.779	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-49.9	122.4	168.1	-19	29.7	0	0	0	106.8	W19 T23	W19-P21 WeakPolarHBondContact O-CD 3.32Å; P21-T23 PolarHBondContact O-N 3.43Å; P21-T23 VanDerWaalsContact O-N 3.13Å
22	S	52.8	Low	69.5	Low	107 Å²	107	86 Å²	86	75%	0.748	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-46.4	126	167.7	47.3	0	0	0	0	106.9	T20 G24	T20-S22 PolarHBondContact O-N 3.2Å; S22-G24 PolarHBondContact O-N 3.11Å
23	T	58.3	Low	71.3	Confident	107 Å²	107	83.2 Å²	83.2	66%	0.656	48%	0.476	S	S	*	.			trans	-38.8	128.4	176.6	35.1	0	0	0	0	110.1	P21 L25	P21-T23 PolarHBondContact O-N 3.43Å; P21-T23 VanDerWaalsContact O-N 3.13Å; T23-L25 PolarHBondContact O-N 3.39Å
24	G	66.1	Low	73.1	Confident	50 Å²	50	84.9 Å²	84.9	52%	0.515	48%	0.481	S	S	.	.			trans	-67	59.4	-160.8	0	0	0	0	0	115.8	S22 K26	S22-G24 PolarHBondContact O-N 3.11Å; G24-K26 PolarHBondContact O-N 3.27Å
25	L	84.7	Confident	74.9	Confident	100 Å²	100	83.4 Å²	83.4	52%	0.524	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-67.9	121.2	172.1	-81.7	136	0	0	0	109.7	T23 A36 T37	T23-L25 PolarHBondContact O-N 3.39Å; L25-A36 HydrophobicContact CB-CB 4.49Å; L25-A36 HydrophobicContact CD2-CB 3.84Å; L25-T37 CarbonylContact C-O 3.53Å; L25-T37 WeakPolarHBondContact CA-O 3.36Å
26	K	89.7	Confident	76.7	Confident	59 Å²	59	79.6 Å²	79.6	26%	0.257	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.4	171.6	179.3	71	179.8	-155.9	0	109.1	G24 L28 A36 T37 L39 E173	G24-K26 PolarHBondContact O-N 3.27Å; K26-L28 HydrophobicContact CG-CD2 3.83Å; K26-A36 CarbonylContact O-C 3.57Å; K26-A36 WeakPolarHBondContact O-CA 3.23Å; K26-T37 PolarHBondContact N-O 2.66Å; K26-T37 PolarHBondContact O-N 3.14Å; K26-L39 HydrophobicContact CB-CB 4.39Å; K26-E173 WeakPolarHBondContact CD-OE1 3.44Å; K26-E173 WeakPolarHBondContact CE-OE1 3.43Å; K26-E173 PolarHBondContact NZ-O 3.47Å; K26-E173 IonicContact NZ-OE1 2.69Å; K26-E173 PolarHBondContact NZ-OE1 3.22Å
27	T	93.9	Very high	78.4	Confident	77 Å²	77	72.3 Å²	72.3	47%	0.472	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129	168.3	-56.9	0	0	0	0	109.6	V34 I35	T27-V34 HydrophobicContact CG2-CG1 3.52Å; T27-I35 CarbonylContact C-O 3.58Å; T27-I35 WeakPolarHBondContact CA-O 3.48Å
28	L	94	Very high	80.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.5	178.2	-54.5	-178.2	0	0	0	110.1	K26 L30 V34 I35 T37 I172	K26-L28 HydrophobicContact CG-CD2 3.83Å; L28-L30 HydrophobicContact CB-CD1 4.44Å; L28-L30 HydrophobicContact CB-CG 4.27Å; L28-V34 WeakPolarHBondContact O-CA 3.23Å; L28-I35 HydrophobicContact CB-CG1 3.95Å; L28-I35 HydrophobicContact CD1-CD1 4.02Å; L28-I35 HydrophobicContact CD1-CG1 4.04Å; L28-I35 HydrophobicContact CG-CG1 4.32Å; L28-I35 PolarHBondContact N-O 3.3Å; L28-I35 PolarHBondContact O-N 2.56Å; L28-T37 HydrophobicContact CD1-CG2 3.65Å; L28-T37 HydrophobicContact CD2-CG2 4.35Å; L28-T37 HydrophobicContact CG-CG2 3.98Å; L28-I172 HydrophobicContact CD1-CG2 3.52Å; L28-I172 HydrophobicContact CD2-CG2 3.5Å; L28-I172 VanDerWaalsContact CD2-O 3.29Å; L28-I172 WeakPolarHBondContact CD2-O 3.44Å; L28-I172 HydrophobicContact CG-CG2 4.16Å
29	N	94	Very high	82.4	Confident	61 Å²	61	61.7 Å²	61.7	33%	0.326	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	98.5	176.6	-61.6	-50.7	0	0	0	110.4	E176	N29-E176 WeakPolarHBondContact CB-OXT 3.27Å; N29-E176 PolarHBondContact ND2-OXT 3.36Å
30	L	96.4	Very high	84.7	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	48.5	-175.7	-56.3	169.7	0	0	0	110.5	L28 C33 I35 P76 R79 C80 L83 L123 T175	L28-L30 HydrophobicContact CB-CD1 4.44Å; L28-L30 HydrophobicContact CB-CG 4.27Å; L30-C33 CarbonylContact C-O 3.59Å; L30-C33 WeakPolarHBondContact CA-O 3.49Å; L30-C33 HydrophobicContact CB-CB 4.24Å; L30-C33 WeakPolarHBondContact CB-O 3.47Å; L30-C33 PolarHBondContact N-O 2.95Å; L30-I35 HydrophobicContact CD1-CD1 4.3Å; L30-I35 HydrophobicContact CD1-CG1 4.33Å; L30-P76 CarbonylContact C-O 3.59Å; L30-R79 HydrophobicContact CB-CB 4.33Å; L30-R79 HydrophobicContact CD2-CB 4.01Å; L30-C80 HydrophobicContact CB-CB 3.88Å; L30-L83 HydrophobicContact CD1-CD2 3.75Å; L30-L83 HydrophobicContact CD2-CD2 4.09Å; L30-L123 HydrophobicContact CD1-CD2 3.46Å; L30-L123 VanDerWaalsContact CD1-CD2 3.46Å; L30-T175 HydrophobicContact CD2-CG2 4.22Å
31	G	94.5	Very high	86.9	Confident	29 Å²	29	58 Å²	58	30%	0.299	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-122.5	-171.8	0	0	0	0	0	111.3	C33 P76	G31-C33 PolarHBondContact O-N 2.92Å; G31-P76 WeakPolarHBondContact CA-O 3.29Å; G31-P76 PolarHBondContact N-O 2.98Å
32	S	96.4	Very high	89.1	Confident	97 Å²	97	52.4 Å²	52.4	68%	0.678	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.4	176.5	-54.4	0	0	0	0	113.6	T131	S32-T131 WeakPolarHBondContact O-CB 3.31Å
33	C	97.6	Very high	91.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.5	174.2	175	0	0	0	0	109.5	L30 G31 C80 C126	L30-C33 CarbonylContact C-O 3.59Å; L30-C33 WeakPolarHBondContact CA-O 3.49Å; L30-C33 HydrophobicContact CB-CB 4.24Å; L30-C33 WeakPolarHBondContact CB-O 3.47Å; L30-C33 PolarHBondContact N-O 2.95Å; G31-C33 PolarHBondContact O-N 2.92Å; C33-C80 HydrophobicContact CB-CB 4.09Å; C33-C126 HydrophobicContact CB-CB 3.6Å; C33-C126 WeakPolarHBondContact CB-SG 3.48Å; C33-C126 WeakPolarHBondContact SG-CB 3.07Å; C33-C126 CovalentContact SG-SG 2.03Å; C33-C126 PolarHBondContact SG-SG 3.35Å
34	V	96.6	Very high	93	Very high	86 Å²	86	49.4 Å²	49.4	52%	0.521	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.6	174.8	-177.3	0	0	0	0	108.1	T27 L28	T27-V34 HydrophobicContact CG2-CG1 3.52Å; L28-V34 WeakPolarHBondContact O-CA 3.23Å
35	I	96.3	Very high	94.4	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.072	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.7	-179.4	63.7	167.2	0	0	0	110.2	T27 L28 L30 I119 D122 L123	T27-I35 CarbonylContact C-O 3.58Å; T27-I35 WeakPolarHBondContact CA-O 3.48Å; L28-I35 HydrophobicContact CB-CG1 3.95Å; L28-I35 HydrophobicContact CD1-CD1 4.02Å; L28-I35 HydrophobicContact CD1-CG1 4.04Å; L28-I35 HydrophobicContact CG-CG1 4.32Å; L28-I35 PolarHBondContact N-O 3.3Å; L28-I35 PolarHBondContact O-N 2.56Å; L30-I35 HydrophobicContact CD1-CD1 4.3Å; L30-I35 HydrophobicContact CD1-CG1 4.33Å; I35-I119 HydrophobicContact CD1-CG2 3.71Å; I35-D122 HydrophobicContact CB-CB 4.24Å; I35-D122 HydrophobicContact CD1-CB 4.38Å; I35-D122 HydrophobicContact CG2-CB 3.79Å; I35-L123 HydrophobicContact CD1-CD2 3.68Å; I35-L123 HydrophobicContact CD1-CG 4.16Å
36	A	94.8	Very high	95.1	Very high	47 Å²	47	43 Å²	43	39%	0.388	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.8	173.7	0	0	0	0	0	109.6	L25 K26	L25-A36 HydrophobicContact CB-CB 4.49Å; L25-A36 HydrophobicContact CD2-CB 3.84Å; K26-A36 CarbonylContact O-C 3.57Å; K26-A36 WeakPolarHBondContact O-CA 3.23Å
37	T	92.9	Very high	95.5	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.9	179.2	-172.2	0	0	0	0	112.1	L25 K26 L28 L39 I119	L25-T37 CarbonylContact C-O 3.53Å; L25-T37 WeakPolarHBondContact CA-O 3.36Å; K26-T37 PolarHBondContact N-O 2.66Å; K26-T37 PolarHBondContact O-N 3.14Å; L28-T37 HydrophobicContact CD1-CG2 3.65Å; L28-T37 HydrophobicContact CD2-CG2 4.35Å; L28-T37 HydrophobicContact CG-CG2 3.98Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 HydrophobicContact CG2-CB 4.41Å; T37-L39 PolarHBondContact O-N 3.11Å; T37-I119 HydrophobicContact CG2-CD1 4.47Å; T37-I119 WeakPolarHBondContact OG1-CD1 3.46Å; T37-I119 VanDerWaalsContact OG1-CG1 3.29Å; T37-I119 WeakPolarHBondContact OG1-CG1 3.13Å
38	D	93.8	Very high	95.7	Very high	49 Å²	49	45 Å²	45	26%	0.262	26%	0.258	S	S	.	.			trans	-81	80.5	171.3	-166.4	-23.1	0	0	0	110	Q40 E41	D38-Q40 PolarHBondContact O-N 2.88Å; D38-Q40 PolarHBondContact OD1-N 3.47Å; D38-E41 HydrophobicContact CB-CB 4.13Å; D38-E41 PolarHBondContact O-N 3.08Å; D38-E41 PolarHBondContact OD1-N 3.33Å
39	L	93	Very high	95.9	Very high	2 Å²	2	45 Å²	45	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-23.8	-179.9	-165.1	58.4	0	0	0	111.8	K26 T37 I42 R43 L169 I172 E173	K26-L39 HydrophobicContact CB-CB 4.39Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 HydrophobicContact CG2-CB 4.41Å; T37-L39 PolarHBondContact O-N 3.11Å; L39-I42 HydrophobicContact CD1-CD1 4.39Å; L39-I42 PolarHBondContact O-N 3.04Å; L39-R43 WeakPolarHBondContact O-CG 3.41Å; L39-R43 PolarHBondContact O-N 3.14Å; L39-L169 HydrophobicContact CD1-CB 4.32Å; L39-L169 HydrophobicContact CD1-CD2 3.51Å; L39-L169 HydrophobicContact CD1-CG 4.44Å; L39-I172 HydrophobicContact CD1-CG2 4.24Å; L39-I172 HydrophobicContact CD2-CB 4.49Å; L39-I172 HydrophobicContact CD2-CG2 4.11Å; L39-E173 HydrophobicContact CD2-CB 3.98Å; L39-E173 VanDerWaalsContact CD2-OE2 3.26Å; L39-E173 WeakPolarHBondContact CD2-OE2 3.41Å
40	Q	93.9	Very high	96.1	Very high	92 Å²	92	47.4 Å²	47.4	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-70.9	-41.5	178.8	-169	61.4	37.4	0	0	111.5	D38 I42 R43 N44	D38-Q40 PolarHBondContact O-N 2.88Å; D38-Q40 PolarHBondContact OD1-N 3.47Å; Q40-I42 VanDerWaalsContact C-N 3.26Å; Q40-I42 PolarHBondContact O-N 3.47Å; Q40-R43 PolarHBondContact O-N 3.38Å; Q40-N44 PolarHBondContact NE2-OD1 3.47Å; Q40-N44 WeakPolarHBondContact O-CB 3.43Å; Q40-N44 PolarHBondContact O-N 2.68Å; Q40-N44 PolarHBondContact O-ND2 3.19Å; Q40-N44 PolarHBondContact O-OD1 3.04Å
41	E	94.3	Very high	96.2	Very high	110 Å²	110	49.9 Å²	49.9	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-54.1	-46.7	172.4	-176.8	-173.4	-153.1	0	0	110.8	D38 N44 G45 S115	D38-E41 HydrophobicContact CB-CB 4.13Å; D38-E41 PolarHBondContact O-N 3.08Å; D38-E41 PolarHBondContact OD1-N 3.33Å; E41-N44 PolarHBondContact O-N 3.08Å; E41-G45 PolarHBondContact O-N 2.67Å; E41-S115 PolarHBondContact OE2-OG 3.19Å
42	I	96.8	Very high	96.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-45	-178.5	-57.1	174.4	0	0	0	111	L39 Q40 G45 F46 L112 F116 I119 L169	L39-I42 HydrophobicContact CD1-CD1 4.39Å; L39-I42 PolarHBondContact O-N 3.04Å; Q40-I42 VanDerWaalsContact C-N 3.26Å; Q40-I42 PolarHBondContact O-N 3.47Å; I42-G45 PolarHBondContact O-N 2.98Å; I42-F46 PolarHBondContact O-N 2.91Å; I42-L112 HydrophobicContact CG2-CD2 3.74Å; I42-L112 WeakPolarHBondContact O-CD2 3.4Å; I42-F116 HydrophobicContact CD1-CD2 4.45Å; I42-F116 HydrophobicContact CD1-CE2 4.41Å; I42-F116 HydrophobicContact CG2-CD2 4.42Å; I42-F116 HydrophobicContact CG2-CE2 3.82Å; I42-I119 HydrophobicContact CD1-CD1 3.78Å; I42-L169 HydrophobicContact CB-CD2 4.23Å; I42-L169 HydrophobicContact CG2-CD1 3.95Å; I42-L169 HydrophobicContact CG2-CD2 3.48Å; I42-L169 VanDerWaalsContact CG2-CD2 3.48Å; I42-L169 HydrophobicContact CG2-CG 4.36Å
43	R	96.8	Very high	96.5	Very high	64 Å²	64	46.5 Å²	46.5	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-46.8	176.7	-77.7	-177.3	179	123.4	0.7	112	L39 Q40 G45 F46 S47 L169 E173	L39-R43 WeakPolarHBondContact O-CG 3.41Å; L39-R43 PolarHBondContact O-N 3.14Å; Q40-R43 PolarHBondContact O-N 3.38Å; R43-G45 VanDerWaalsContact C-N 3.27Å; R43-G45 PolarHBondContact O-N 2.89Å; R43-F46 PolarHBondContact O-N 2.98Å; R43-S47 PolarHBondContact O-N 3.21Å; R43-S47 PolarHBondContact O-OG 2.84Å; R43-L169 HydrophobicContact CG-CD1 3.91Å; R43-E173 IonicContact CZ-OE2 3.15Å; R43-E173 IonicContact NH1-OE2 2.66Å; R43-E173 PolarHBondContact NH1-OE2 3.27Å; R43-E173 IonicContact NH2-OE2 3.08Å; R43-E173 PolarHBondContact NH2-OE2 2.78Å
44	N	96.3	Very high	96.5	Very high	86 Å²	86	50 Å²	50	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-38	177.2	-67.1	-11.7	0	0	0	111	Q40 E41 S47 E48	Q40-N44 PolarHBondContact NE2-OD1 3.47Å; Q40-N44 WeakPolarHBondContact O-CB 3.43Å; Q40-N44 PolarHBondContact O-N 2.68Å; Q40-N44 PolarHBondContact O-ND2 3.19Å; Q40-N44 PolarHBondContact O-OD1 3.04Å; E41-N44 PolarHBondContact O-N 3.08Å; N44-S47 PolarHBondContact O-OG 3.07Å; N44-E48 WeakPolarHBondContact O-CG 3.18Å
45	G	96.8	Very high	96.6	Very high	11 Å²	11	50 Å²	50	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-42.5	174.4	0	0	0	0	0	112.8	E41 I42 R43	E41-G45 PolarHBondContact O-N 2.67Å; I42-G45 PolarHBondContact O-N 2.98Å; R43-G45 VanDerWaalsContact C-N 3.27Å; R43-G45 PolarHBondContact O-N 2.89Å
46	F	98.4	Very high	96.6	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-77.3	-37.2	-177.5	-178.2	-121.4	0	0	0	113.2	I42 R43 E48 I49 R50 L112 L162 L165 D166	I42-F46 PolarHBondContact O-N 2.91Å; R43-F46 PolarHBondContact O-N 2.98Å; F46-E48 PolarHBondContact O-N 3.29Å; F46-E48 VanDerWaalsContact O-N 3.1Å; F46-I49 HydrophobicContact CD2-CD1 4.39Å; F46-I49 HydrophobicContact CD2-CG1 4.02Å; F46-I49 HydrophobicContact CE2-CG1 4.48Å; F46-I49 CarbonylContact O-C 3.53Å; F46-I49 WeakPolarHBondContact O-CG1 3.5Å; F46-I49 PolarHBondContact O-N 3.1Å; F46-R50 HydrophobicContact CD1-CB 4.22Å; F46-R50 HydrophobicContact CD1-CG 4.44Å; F46-R50 HydrophobicContact CE1-CB 3.87Å; F46-R50 HydrophobicContact CE1-CG 3.7Å; F46-R50 HydrophobicContact CE2-CB 4.39Å; F46-R50 HydrophobicContact CZ-CB 3.97Å; F46-R50 HydrophobicContact CZ-CG 3.89Å; F46-R50 PolarHBondContact O-N 3.39Å; F46-L112 HydrophobicContact CB-CD1 4.35Å; F46-L112 HydrophobicContact CB-CD2 4.15Å; F46-L112 HydrophobicContact CD2-CD1 4.31Å; F46-L162 WeakPolarHBondContact CE2-O 3.31Å; F46-L162 VanDerWaalsContact CZ-O 3.3Å; F46-L162 WeakPolarHBondContact CZ-O 3.4Å; F46-L165 HydrophobicContact CB-CD2 4.09Å; F46-L165 HydrophobicContact CD1-CB 4.19Å; F46-L165 HydrophobicContact CD2-CB 4.07Å; F46-L165 HydrophobicContact CD2-CD2 3.66Å; F46-L165 HydrophobicContact CD2-CG 4.34Å; F46-L165 HydrophobicContact CE1-CB 3.96Å; F46-L165 HydrophobicContact CE2-CB 3.83Å; F46-L165 HydrophobicContact CE2-CD2 4.22Å; F46-L165 HydrophobicContact CG-CB 4.24Å; F46-L165 HydrophobicContact CG-CD2 3.83Å; F46-L165 HydrophobicContact CG-CG 4.29Å; F46-L165 HydrophobicContact CZ-CB 3.78Å; F46-D166 HydrophobicContact CD1-CB 4.41Å; F46-D166 HydrophobicContact CE1-CB 3.9Å
47	S	98.3	Very high	96.8	Very high	72 Å²	72	53.6 Å²	53.6	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-56.2	-32.3	-179	56.7	0	0	0	0	112.9	R43 N44 I49	R43-S47 PolarHBondContact O-N 3.21Å; R43-S47 PolarHBondContact O-OG 2.84Å; N44-S47 PolarHBondContact O-OG 3.07Å; S47-I49 VanDerWaalsContact C-N 3.26Å; S47-I49 PolarHBondContact O-N 2.92Å
48	E	98.4	Very high	97	Very high	105 Å²	105	56.3 Å²	56.3	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-26.3	177.4	-66.1	-69.9	152.1	0	0	114	N44 F46 Y104 K108	N44-E48 WeakPolarHBondContact O-CG 3.18Å; F46-E48 PolarHBondContact O-N 3.29Å; F46-E48 VanDerWaalsContact O-N 3.1Å; E48-Y104 HydrophobicContact CB-CE1 4.37Å; E48-Y104 PolarHBondContact OE2-OH 3Å; E48-K108 HydrophobicContact CB-CD 4.27Å; E48-K108 HydrophobicContact CB-CG 4.48Å
49	I	98.5	Very high	97	Very high	1 Å²	1	57 Å²	57	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-120.9	-7.4	-176.5	64.2	169.7	0	0	0	113.2	F46 S47 G51 S52 V53 T105 K108 I109 L112	F46-I49 HydrophobicContact CD2-CD1 4.39Å; F46-I49 HydrophobicContact CD2-CG1 4.02Å; F46-I49 HydrophobicContact CE2-CG1 4.48Å; F46-I49 CarbonylContact O-C 3.53Å; F46-I49 WeakPolarHBondContact O-CG1 3.5Å; F46-I49 PolarHBondContact O-N 3.1Å; S47-I49 VanDerWaalsContact C-N 3.26Å; S47-I49 PolarHBondContact O-N 2.92Å; I49-G51 PolarHBondContact O-N 3.44Å; I49-S52 PolarHBondContact O-N 3.45Å; I49-S52 PolarHBondContact O-OG 3.03Å; I49-V53 HydrophobicContact CB-CG2 4.26Å; I49-V53 HydrophobicContact CD1-CG2 4.21Å; I49-V53 HydrophobicContact CG1-CG2 4.28Å; I49-V53 VanDerWaalsContact O-CG2 3.29Å; I49-V53 WeakPolarHBondContact O-CG2 3.38Å; I49-V53 PolarHBondContact O-N 2.89Å; I49-T105 HydrophobicContact CB-CG2 4.48Å; I49-T105 HydrophobicContact CD1-CG2 4.48Å; I49-T105 HydrophobicContact CG2-CG2 4.2Å; I49-K108 HydrophobicContact CD1-CB 4.2Å; I49-K108 HydrophobicContact CG2-CB 3.73Å; I49-K108 HydrophobicContact CG2-CG 3.87Å; I49-I109 HydrophobicContact CD1-CG1 3.91Å; I49-L112 HydrophobicContact CD1-CD1 3.91Å
50	R	98.5	Very high	97	Very high	111 Å²	111	63.6 Å²	63.6	42%	0.419	36%	0.361	S	S	.	.	H	α-helix	trans	-52.2	-53.7	-174.7	178.5	-179.4	-179.2	-165.3	3.5	112.2	F46 S52 V53 Q54 D166	F46-R50 HydrophobicContact CD1-CB 4.22Å; F46-R50 HydrophobicContact CD1-CG 4.44Å; F46-R50 HydrophobicContact CE1-CB 3.87Å; F46-R50 HydrophobicContact CE1-CG 3.7Å; F46-R50 HydrophobicContact CE2-CB 4.39Å; F46-R50 HydrophobicContact CZ-CB 3.97Å; F46-R50 HydrophobicContact CZ-CG 3.89Å; F46-R50 PolarHBondContact O-N 3.39Å; R50-S52 VanDerWaalsContact C-N 3.35Å; R50-S52 PolarHBondContact O-N 2.87Å; R50-V53 PolarHBondContact O-N 2.9Å; R50-Q54 HydrophobicContact CG-CG 4.36Å; R50-Q54 WeakPolarHBondContact O-CB 3.4Å; R50-Q54 VanDerWaalsContact O-CG 3.32Å; R50-Q54 WeakPolarHBondContact O-CG 3.4Å; R50-Q54 PolarHBondContact O-N 3Å; R50-D166 IonicContact CZ-OD2 2.8Å; R50-D166 IonicContact NE-OD2 2.71Å; R50-D166 PolarHBondContact NE-OD2 3.35Å; R50-D166 IonicContact NH2-OD2 3.21Å; R50-D166 PolarHBondContact NH2-OD2 3.16Å
51	G	98.2	Very high	97	Very high	52 Å²	52	66.7 Å²	66.7	54%	0.536	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-40.6	-177.9	0	0	0	0	0	112.9	I49 A55	I49-G51 PolarHBondContact O-N 3.44Å; G51-A55 WeakPolarHBondContact O-CB 3.27Å; G51-A55 PolarHBondContact O-N 3.36Å
52	S	97.8	Very high	97	Very high	55 Å²	55	63.4 Å²	63.4	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-74	-32.8	-179	68.3	0	0	0	0	113	I49 R50 K56	I49-S52 PolarHBondContact O-N 3.45Å; I49-S52 PolarHBondContact O-OG 3.03Å; R50-S52 VanDerWaalsContact C-N 3.35Å; R50-S52 PolarHBondContact O-N 2.87Å; S52-K56 WeakPolarHBondContact O-CG 3.47Å
53	V	98.3	Very high	97	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-70.9	-50.7	173.5	173.8	0	0	0	0	110.3	I49 R50 A55 K56 Y98 L162	I49-V53 HydrophobicContact CB-CG2 4.26Å; I49-V53 HydrophobicContact CD1-CG2 4.21Å; I49-V53 HydrophobicContact CG1-CG2 4.28Å; I49-V53 VanDerWaalsContact O-CG2 3.29Å; I49-V53 WeakPolarHBondContact O-CG2 3.38Å; I49-V53 PolarHBondContact O-N 2.89Å; R50-V53 PolarHBondContact O-N 2.9Å; V53-A55 VanDerWaalsContact C-N 3.3Å; V53-A55 PolarHBondContact O-N 3.05Å; V53-K56 WeakPolarHBondContact O-CB 3.49Å; V53-K56 PolarHBondContact O-N 3.36Å; V53-Y98 HydrophobicContact CG1-CE2 4.16Å; V53-Y98 HydrophobicContact CG2-CE2 4.33Å; V53-L162 HydrophobicContact CG1-CB 3.97Å; V53-L162 HydrophobicContact CG1-CD2 4.02Å; V53-L162 HydrophobicContact CG1-CG 3.9Å; V53-L162 HydrophobicContact CG2-CD2 3.85Å; V53-L162 HydrophobicContact CG2-CG 4.3Å
54	Q	98.4	Very high	97.1	Very high	74 Å²	74	65.6 Å²	65.6	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-33.1	-177.8	-71.4	-178.2	-30.1	0	0	112.2	R50 K56 D57 G163	R50-Q54 HydrophobicContact CG-CG 4.36Å; R50-Q54 WeakPolarHBondContact O-CB 3.4Å; R50-Q54 VanDerWaalsContact O-CG 3.32Å; R50-Q54 WeakPolarHBondContact O-CG 3.4Å; R50-Q54 PolarHBondContact O-N 3Å; Q54-K56 PolarHBondContact O-N 2.83Å; Q54-D57 WeakPolarHBondContact O-CB 3.41Å; Q54-D57 PolarHBondContact O-N 2.98Å; Q54-D57 VanDerWaalsContact O-N 3.1Å; Q54-G163 PolarHBondContact NE2-O 3.27Å
55	A	97.9	Very high	97.2	Very high	88 Å²	88	61.6 Å²	61.6	73%	0.727	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.1	174.3	0	0	0	0	0	114.2	G51 V53	G51-A55 WeakPolarHBondContact O-CB 3.27Å; G51-A55 PolarHBondContact O-N 3.36Å; V53-A55 VanDerWaalsContact C-N 3.3Å; V53-A55 PolarHBondContact O-N 3.05Å
56	K	97.6	Very high	97.2	Very high	101 Å²	101	66 Å²	66	44%	0.439	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.3	175.4	-66	-179.5	-175.2	-175.8	0	113.1	S52 V53 Q54 G58 T100 V159	S52-K56 WeakPolarHBondContact O-CG 3.47Å; V53-K56 WeakPolarHBondContact O-CB 3.49Å; V53-K56 PolarHBondContact O-N 3.36Å; Q54-K56 PolarHBondContact O-N 2.83Å; K56-G58 PolarHBondContact O-N 2.87Å; K56-T100 PolarHBondContact NZ-OG1 2.88Å; K56-V159 HydrophobicContact CB-CG1 3.78Å
57	D	97.7	Very high	97.1	Very high	35 Å²	35	74.5 Å²	74.5	19%	0.187	40%	0.398	C	S	.	.			trans	-83.1	105.8	177.7	-177.1	10.6	0	0	0	110.6	Q54 N59 V159 K160	Q54-D57 WeakPolarHBondContact O-CB 3.41Å; Q54-D57 PolarHBondContact O-N 2.98Å; Q54-D57 VanDerWaalsContact O-N 3.1Å; D57-N59 PolarHBondContact OD1-N 2.98Å; D57-V159 HydrophobicContact CB-CG1 4.26Å; D57-K160 VanDerWaalsContact CG-NZ 3.27Å; D57-K160 WeakPolarHBondContact OD1-CE 3.19Å; D57-K160 IonicContact OD1-NZ 3.9Å; D57-K160 PolarHBondContact OD1-NZ 2.87Å; D57-K160 VanDerWaalsContact OD1-NZ 3.08Å; D57-K160 IonicContact OD2-NZ 3.78Å; D57-K160 PolarHBondContact OD2-NZ 2.95Å
58	G	96.6	Very high	96.9	Very high	67 Å²	67	75.6 Å²	75.6	69%	0.691	40%	0.402	S	S	*	.			trans	-84.5	-10.4	176.5	0	0	0	0	0	114.8	K56 I60	K56-G58 PolarHBondContact O-N 2.87Å; G58-I60 PolarHBondContact O-N 2.93Å
59	N	95.9	Very high	96.9	Very high	62 Å²	62	70.9 Å²	70.9	33%	0.332	38%	0.38	S	S	.	.			trans	-99.3	58.5	-170	-65.9	-77.8	0	0	0	111.5	D57 D61 I62 L152 K160	D57-N59 PolarHBondContact OD1-N 2.98Å; N59-D61 PolarHBondContact O-N 3.2Å; N59-D61 VanDerWaalsContact O-N 3.08Å; N59-I62 PolarHBondContact O-N 3.46Å; N59-I62 VanDerWaalsContact O-N 3.11Å; N59-L152 HydrophobicContact CB-CD2 4.14Å; N59-K160 WeakPolarHBondContact O-CE 3.35Å; N59-K160 PolarHBondContact O-NZ 3.36Å
60	I	92.3	Very high	96.7	Very high	142 Å²	142	70.9 Å²	70.9	73%	0.728	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.7	-171.9	60.1	170.4	0	0	0	114.7	G58 I62	G58-I60 PolarHBondContact O-N 2.93Å; I60-I62 VanDerWaalsContact C-N 3.32Å
61	D	93.9	Very high	96.6	Very high	156 Å²	156	65.6 Å²	65.6	83%	0.834	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.7	-178	-58.4	-42.1	0	0	0	113.2	N59	N59-D61 PolarHBondContact O-N 3.2Å; N59-D61 VanDerWaalsContact O-N 3.08Å
62	I	94	Very high	96.3	Very high	42 Å²	42	66 Å²	66	22%	0.215	35%	0.348	C	S	.	.			trans	-107.7	129	-178.5	-61.7	172	0	0	0	109.2	N59 I60 L152 K160	N59-I62 PolarHBondContact O-N 3.46Å; N59-I62 VanDerWaalsContact O-N 3.11Å; I60-I62 VanDerWaalsContact C-N 3.32Å; I62-L152 HydrophobicContact CB-CD2 4.48Å; I62-L152 HydrophobicContact CD1-CD2 3.62Å; I62-L152 HydrophobicContact CG2-CD1 4.15Å; I62-L152 HydrophobicContact CG2-CD2 4.29Å; I62-L152 HydrophobicContact CG2-CG 4.38Å; I62-K160 HydrophobicContact CG2-CD 4.39Å; I62-K160 WeakPolarHBondContact O-CD 3.39Å; I62-K160 WeakPolarHBondContact O-CE 3.43Å; I62-K160 PolarHBondContact O-NZ 3.35Å
63	R	97.5	Very high	96.1	Very high	110 Å²	110	67.7 Å²	67.7	42%	0.415	35%	0.353	S	S	.	.			trans	-120.6	125.6	172.8	-174.3	172.4	174.9	162.4	3.3	109.8	L65 R66 E164 I167	R63-L65 PolarHBondContact NE-O 2.91Å; R63-R66 HydrophobicContact CB-CG 4.45Å; R63-R66 VanDerWaalsContact O-CG 3.29Å; R63-R66 WeakPolarHBondContact O-CG 3.39Å; R63-R66 PolarHBondContact O-NE 3.43Å; R63-E164 WeakPolarHBondContact CA-OE1 3.49Å; R63-I167 VanDerWaalsContact NH2-CD1 3.27Å
64	I	98.4	Very high	96	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.01	35%	0.354	C	S	.	.	S	Bend	trans	-79	-51.4	-178.6	-65.9	172.5	0	0	0	109.9	R66 I145 H148 F149 L152 K160 A161 E164	I64-R66 PolarHBondContact O-N 2.88Å; I64-I145 HydrophobicContact CG2-CG2 3.96Å; I64-H148 HydrophobicContact CG1-CB 4.48Å; I64-F149 HydrophobicContact CD1-CB 4.45Å; I64-F149 HydrophobicContact CD1-CD2 3.99Å; I64-F149 HydrophobicContact CG2-CB 4.23Å; I64-L152 HydrophobicContact CD1-CD1 3.97Å; I64-L152 HydrophobicContact CG1-CD1 4.17Å; I64-K160 HydrophobicContact CD1-CB 3.97Å; I64-K160 HydrophobicContact CD1-CD 3.74Å; I64-K160 HydrophobicContact CD1-CG 3.71Å; I64-K160 HydrophobicContact CG1-CD 3.68Å; I64-K160 HydrophobicContact CG1-CG 4.07Å; I64-A161 HydrophobicContact CD1-CB 4.03Å; I64-E164 PolarHBondContact N-OE1 3.25Å; I64-E164 PolarHBondContact N-OE2 2.97Å
65	L	98.3	Very high	95.9	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.005	36%	0.364	C	S	.	.	S	Bend	trans	-89.1	77.4	177.2	-58.9	-177.3	0	0	0	109.6	R63 L86 I145 E164 I167 L168 W171	R63-L65 PolarHBondContact NE-O 2.91Å; L65-L86 HydrophobicContact CD2-CD2 4.07Å; L65-I145 HydrophobicContact CD2-CD1 4.21Å; L65-I145 HydrophobicContact CD2-CG2 3.84Å; L65-E164 WeakPolarHBondContact CB-OE2 2.98Å; L65-E164 HydrophobicContact CD1-CB 4.2Å; L65-E164 PolarHBondContact N-OE2 3.33Å; L65-I167 HydrophobicContact CB-CG2 3.86Å; L65-I167 HydrophobicContact CD1-CB 4.27Å; L65-I167 HydrophobicContact CD1-CG2 4.23Å; L65-L168 HydrophobicContact CD1-CB 3.81Å; L65-W171 HydrophobicContact CB-CH2 3.71Å; L65-W171 HydrophobicContact CB-CZ2 3.95Å; L65-W171 HydrophobicContact CB-CZ3 4.3Å; L65-W171 HydrophobicContact CD2-CH2 4.14Å; L65-W171 HydrophobicContact CD2-CZ3 4Å; L65-W171 HydrophobicContact CG-CH2 4.45Å
66	R	97.4	Very high	95.9	Very high	105 Å²	105	69.8 Å²	69.8	40%	0.396	35%	0.352	S	S	.	.			trans	-76.1	151.5	177.3	-40.8	176.8	164.7	-173.7	-2.7	110	R63 I64 T68 E69 H148 W171	R63-R66 HydrophobicContact CB-CG 4.45Å; R63-R66 VanDerWaalsContact O-CG 3.29Å; R63-R66 WeakPolarHBondContact O-CG 3.39Å; R63-R66 PolarHBondContact O-NE 3.43Å; I64-R66 PolarHBondContact O-N 2.88Å; R66-T68 PolarHBondContact O-N 3.18Å; R66-E69 WeakPolarHBondContact CA-OE2 3.39Å; R66-E69 WeakPolarHBondContact CB-OE2 3.41Å; R66-E69 PolarHBondContact N-OE2 2.97Å; R66-E69 PolarHBondContact O-N 3.38Å; R66-E69 VanDerWaalsContact O-N 3.14Å; R66-E69 VanDerWaalsContact O-OE2 3.09Å; R66-H148 WeakPolarHBondContact CD-NE2 3.5Å; R66-H148 PolarHBondContact NE-NE2 3.01Å; R66-W171 WeakPolarHBondContact O-CH2 3.02Å; R66-W171 WeakPolarHBondContact O-CZ2 3.48Å
67	R	94.9	Very high	95.8	Very high	183 Å²	183	67.9 Å²	67.9	69%	0.691	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-59.5	-31.6	-174	-173.1	177	-178.5	178.4	2.7	112.7	E69 S70	R67-E69 PolarHBondContact O-N 2.81Å; R67-S70 VanDerWaalsContact O-CB 3.25Å; R67-S70 WeakPolarHBondContact O-CB 3.22Å; R67-S70 PolarHBondContact O-N 3.07Å; R67-S70 VanDerWaalsContact O-N 3.13Å; R67-S70 PolarHBondContact O-OG 3.3Å
68	T	95.1	Very high	95.8	Very high	96 Å²	96	66.8 Å²	66.8	59%	0.589	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.2	-179.8	38.6	0	0	0	0	113.8	R66	R66-T68 PolarHBondContact O-N 3.18Å
69	E	97.3	Very high	95.8	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.028	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-102.6	16.3	177.5	-55.3	77.1	-137.6	0	0	113.2	R66 R67 K141 Q144 I145 W171	R66-E69 WeakPolarHBondContact CA-OE2 3.39Å; R66-E69 WeakPolarHBondContact CB-OE2 3.41Å; R66-E69 PolarHBondContact N-OE2 2.97Å; R66-E69 PolarHBondContact O-N 3.38Å; R66-E69 VanDerWaalsContact O-N 3.14Å; R66-E69 VanDerWaalsContact O-OE2 3.09Å; R67-E69 PolarHBondContact O-N 2.81Å; E69-K141 HydrophobicContact CB-CB 4.1Å; E69-K141 HydrophobicContact CB-CG 4.19Å; E69-K141 HydrophobicContact CG-CB 4.21Å; E69-K141 HydrophobicContact CG-CG 4.19Å; E69-Q144 HydrophobicContact CG-CB 4.14Å; E69-I145 HydrophobicContact CB-CD1 3.76Å; E69-I145 HydrophobicContact CB-CG1 3.87Å; E69-I145 HydrophobicContact CG-CD1 4.5Å; E69-I145 HydrophobicContact CG-CG1 4.1Å; E69-W171 HydrophobicContact CB-CH2 4.42Å
70	S	96.1	Very high	96	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.306	C	S	.	.			trans	-62.5	154.2	-176.7	80	0	0	0	0	113.6	R67 Q72 D73 T74	R67-S70 VanDerWaalsContact O-CB 3.25Å; R67-S70 WeakPolarHBondContact O-CB 3.22Å; R67-S70 PolarHBondContact O-N 3.07Å; R67-S70 VanDerWaalsContact O-N 3.13Å; R67-S70 PolarHBondContact O-OG 3.3Å; S70-Q72 WeakPolarHBondContact OG-CG 3.42Å; S70-D73 PolarHBondContact O-N 3.23Å; S70-D73 WeakPolarHBondContact OG-CB 3.23Å; S70-D73 PolarHBondContact OG-N 3.47Å; S70-D73 PolarHBondContact OG-OD2 2.83Å; S70-T74 PolarHBondContact O-N 2.86Å; S70-T74 PolarHBondContact O-OG1 3.26Å
71	L	94.8	Very high	96.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-66.3	-37.8	178.1	-74.8	171.2	0	0	0	112.7	D73 T74 R79 L82 L83 W171 I172 T175	L71-D73 VanDerWaalsContact C-N 3.34Å; L71-D73 PolarHBondContact O-N 3.4Å; L71-T74 WeakPolarHBondContact O-CB 3.39Å; L71-T74 PolarHBondContact O-N 3.43Å; L71-T74 VanDerWaalsContact O-N 3.11Å; L71-R79 WeakPolarHBondContact O-CG 3.39Å; L71-R79 PolarHBondContact O-NE 3.15Å; L71-L82 HydrophobicContact CD2-CB 4.1Å; L71-L82 HydrophobicContact CD2-CD2 3.97Å; L71-L82 HydrophobicContact CD2-CG 3.97Å; L71-L83 HydrophobicContact CD1-CB 4.29Å; L71-L83 HydrophobicContact CD1-CD1 4.13Å; L71-L83 HydrophobicContact CD2-CB 4.1Å; L71-W171 HydrophobicContact CB-CB 4.2Å; L71-W171 HydrophobicContact CD1-CB 4.07Å; L71-W171 HydrophobicContact CG-CB 4.25Å; L71-I172 HydrophobicContact CD1-CG1 4.08Å; L71-T175 HydrophobicContact CB-CG2 3.68Å; L71-T175 HydrophobicContact CD1-CG2 4.16Å
72	Q	92.7	Very high	96.5	Very high	60 Å²	60	48 Å²	48	28%	0.28	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-40.8	178.2	60.1	-167.3	-12.2	0	0	112.3	S70 T74 R79 E174	S70-Q72 WeakPolarHBondContact OG-CG 3.42Å; Q72-T74 PolarHBondContact O-N 3.33Å; Q72-R79 PolarHBondContact O-NH2 3.24Å; Q72-R79 VanDerWaalsContact O-NH2 3.16Å; Q72-E174 PolarHBondContact NE2-OE2 3.09Å; Q72-E174 PolarHBondContact OE1-OE2 3.05Å
73	D	93.9	Very high	96.7	Very high	92 Å²	92	46 Å²	46	49%	0.492	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.1	178	-60.8	-39.7	0	0	0	112.6	S70 L71 K141	S70-D73 PolarHBondContact O-N 3.23Å; S70-D73 WeakPolarHBondContact OG-CB 3.23Å; S70-D73 PolarHBondContact OG-N 3.47Å; S70-D73 PolarHBondContact OG-OD2 2.83Å; L71-D73 VanDerWaalsContact C-N 3.34Å; L71-D73 PolarHBondContact O-N 3.4Å; D73-K141 VanDerWaalsContact C-NZ 3.31Å; D73-K141 PolarHBondContact O-NZ 2.78Å
74	T	96.3	Very high	96.7	Very high	3 Å²	3	42 Å²	42	2%	0.018	21%	0.206	C	C	.	.	S	Bend	trans	-99.6	136.7	177.9	-57.2	0	0	0	0	110.7	S70 L71 Q72 D78 R79 L82 E137 K141	S70-T74 PolarHBondContact O-N 2.86Å; S70-T74 PolarHBondContact O-OG1 3.26Å; L71-T74 WeakPolarHBondContact O-CB 3.39Å; L71-T74 PolarHBondContact O-N 3.43Å; L71-T74 VanDerWaalsContact O-N 3.11Å; Q72-T74 PolarHBondContact O-N 3.33Å; T74-D78 HydrophobicContact CG2-CB 3.71Å; T74-R79 HydrophobicContact CG2-CG 4.33Å; T74-R79 PolarHBondContact O-NE 2.99Å; T74-L82 HydrophobicContact CG2-CD2 4.22Å; T74-L82 WeakPolarHBondContact OG1-CD2 3.4Å; T74-E137 WeakPolarHBondContact CA-OE1 3.29Å; T74-K141 VanDerWaalsContact CA-NZ 3.31Å; T74-K141 HydrophobicContact CG2-CD 4.48Å; T74-K141 WeakPolarHBondContact OG1-CD 3.48Å; T74-K141 PolarHBondContact OG1-NZ 2.74Å
75	K	96.4	Very high	96.7	Very high	132 Å²	132	43.1 Å²	43.1	57%	0.574	21%	0.212	S	C	*	.			trans	-49.7	136.5	174.4	-76.7	175.1	-163.9	169.4	0	110.7	A77 D78 R79 E137	K75-A77 PolarHBondContact O-N 3.27Å; K75-A77 VanDerWaalsContact O-N 3.09Å; K75-D78 HydrophobicContact CB-CB 4.47Å; K75-D78 WeakPolarHBondContact O-CA 3.33Å; K75-D78 PolarHBondContact O-N 3.44Å; K75-R79 PolarHBondContact O-N 2.93Å; K75-E137 WeakPolarHBondContact CD-OE2 3.37Å; K75-E137 VanDerWaalsContact CE-OE2 3.23Å; K75-E137 WeakPolarHBondContact CE-OE2 3.23Å; K75-E137 WeakPolarHBondContact CG-OE2 3.44Å; K75-E137 PolarHBondContact N-OE1 3.44Å; K75-E137 IonicContact NZ-OE2 2.75Å
76	P	96	Very high	96.8	Very high	71 Å²	71	43.1 Å²	43.1	46%	0.461	21%	0.211	S	C	.	.	H	α-helix	trans	-51	-41	-177.2	-30.5	35.7	0	0	0	114.1	L30 G31 D78 R79	L30-P76 CarbonylContact C-O 3.59Å; G31-P76 WeakPolarHBondContact CA-O 3.29Å; G31-P76 PolarHBondContact N-O 2.98Å; P76-D78 PolarHBondContact O-N 3.18Å; P76-R79 PolarHBondContact O-N 3.04Å
77	A	96.1	Very high	96.8	Very high	60 Å²	60	38.1 Å²	38.1	50%	0.496	19%	0.192	S	C	.	.	H	α-helix	trans	-61.4	-23.7	178.4	0	0	0	0	0	114.4	K75	K75-A77 PolarHBondContact O-N 3.27Å; K75-A77 VanDerWaalsContact O-N 3.09Å
78	D	97.7	Very high	97	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-102.1	-16.1	-175.9	-81.1	-43.9	0	0	0	113.2	T74 K75 P76 C80 C81 L82 G135 A138	T74-D78 HydrophobicContact CG2-CB 3.71Å; K75-D78 HydrophobicContact CB-CB 4.47Å; K75-D78 WeakPolarHBondContact O-CA 3.33Å; K75-D78 PolarHBondContact O-N 3.44Å; P76-D78 PolarHBondContact O-N 3.18Å; D78-C80 PolarHBondContact O-N 3.32Å; D78-C81 PolarHBondContact O-N 3.48Å; D78-L82 PolarHBondContact O-N 2.95Å; D78-G135 WeakPolarHBondContact OD1-CA 3.48Å; D78-G135 PolarHBondContact OD1-N 3.23Å; D78-A138 HydrophobicContact CB-CB 3.86Å
79	R	97.8	Very high	97.2	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-45	-179.5	-69.9	-179.5	-177	176.8	-7.2	112.5	L30 L71 Q72 T74 K75 P76 C81 L82 L83 E176	L30-R79 HydrophobicContact CB-CB 4.33Å; L30-R79 HydrophobicContact CD2-CB 4.01Å; L71-R79 WeakPolarHBondContact O-CG 3.39Å; L71-R79 PolarHBondContact O-NE 3.15Å; Q72-R79 PolarHBondContact O-NH2 3.24Å; Q72-R79 VanDerWaalsContact O-NH2 3.16Å; T74-R79 HydrophobicContact CG2-CG 4.33Å; T74-R79 PolarHBondContact O-NE 2.99Å; K75-R79 PolarHBondContact O-N 2.93Å; P76-R79 PolarHBondContact O-N 3.04Å; R79-C81 PolarHBondContact O-N 2.96Å; R79-L82 PolarHBondContact O-N 3.28Å; R79-L83 WeakPolarHBondContact O-CB 3.36Å; R79-L83 PolarHBondContact O-N 3.26Å; R79-E176 PolarHBondContact NH1-O 2.76Å
80	C	98.3	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-45.6	-179.9	-179.6	0	0	0	0	111.8	L30 C33 D78 R84 C132	L30-C80 HydrophobicContact CB-CB 3.88Å; C33-C80 HydrophobicContact CB-CB 4.09Å; D78-C80 PolarHBondContact O-N 3.32Å; C80-R84 VanDerWaalsContact O-CB 3.25Å; C80-R84 WeakPolarHBondContact O-CB 3.26Å; C80-R84 PolarHBondContact O-N 3.22Å; C80-C132 HydrophobicContact CB-CB 3.97Å; C80-C132 WeakPolarHBondContact CB-SG 3.39Å; C80-C132 WeakPolarHBondContact SG-CB 3.24Å; C80-C132 CovalentContact SG-SG 2.04Å; C80-C132 PolarHBondContact SG-SG 3.41Å
81	C	98.5	Very high	97.4	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-47	179.7	-179.9	0	0	0	0	111.3	D78 R79 L83 R84 H85 H133 C134 A138	D78-C81 PolarHBondContact O-N 3.48Å; R79-C81 PolarHBondContact O-N 2.96Å; C81-L83 PolarHBondContact O-N 3.28Å; C81-R84 PolarHBondContact O-N 2.88Å; C81-H85 PolarHBondContact O-CD2 3.22Å; C81-H85 VanDerWaalsContact O-CD2 3.28Å; C81-H85 PolarHBondContact O-N 3.24Å; C81-H133 WeakPolarHBondContact CB-O 2.96Å; C81-C134 HydrophobicContact CB-CB 3.89Å; C81-C134 WeakPolarHBondContact CB-SG 3.34Å; C81-C134 WeakPolarHBondContact SG-CA 3.29Å; C81-C134 WeakPolarHBondContact SG-CB 3.43Å; C81-C134 CovalentContact SG-SG 2.04Å; C81-C134 PolarHBondContact SG-SG 3.18Å; C81-A138 HydrophobicContact CB-CB 3.88Å
82	L	98.6	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-50.7	178.8	-179.8	54.5	0	0	0	111.3	L71 T74 D78 R79 R84 H85 L86 A138 K141 I145	L71-L82 HydrophobicContact CD2-CB 4.1Å; L71-L82 HydrophobicContact CD2-CD2 3.97Å; L71-L82 HydrophobicContact CD2-CG 3.97Å; T74-L82 HydrophobicContact CG2-CD2 4.22Å; T74-L82 WeakPolarHBondContact OG1-CD2 3.4Å; D78-L82 PolarHBondContact O-N 2.95Å; R79-L82 PolarHBondContact O-N 3.28Å; L82-R84 PolarHBondContact O-N 3.2Å; L82-H85 PolarHBondContact O-N 3.25Å; L82-L86 HydrophobicContact CD1-CD1 4.29Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.17Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 3.02Å; L82-A138 HydrophobicContact CB-CB 4.36Å; L82-K141 HydrophobicContact CD1-CB 4.19Å; L82-K141 HydrophobicContact CD2-CB 4.14Å; L82-K141 HydrophobicContact CD2-CD 4.14Å; L82-I145 HydrophobicContact CD1-CD1 4.47Å
83	L	98.4	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-42.6	177.3	-179.4	59.1	0	0	0	111.7	L30 L71 R79 C81 H85 L86 L87 L123 L168 I172	L30-L83 HydrophobicContact CD1-CD2 3.75Å; L30-L83 HydrophobicContact CD2-CD2 4.09Å; L71-L83 HydrophobicContact CD1-CB 4.29Å; L71-L83 HydrophobicContact CD1-CD1 4.13Å; L71-L83 HydrophobicContact CD2-CB 4.1Å; R79-L83 WeakPolarHBondContact O-CB 3.36Å; R79-L83 PolarHBondContact O-N 3.26Å; C81-L83 PolarHBondContact O-N 3.28Å; L83-H85 PolarHBondContact O-N 2.7Å; L83-L86 PolarHBondContact O-N 3.26Å; L83-L87 HydrophobicContact CD1-CD1 4.46Å; L83-L87 HydrophobicContact CD1-CD2 4.1Å; L83-L87 HydrophobicContact CD1-CG 3.99Å; L83-L87 HydrophobicContact CG-CD1 4.31Å; L83-L87 HydrophobicContact CG-CG 4.25Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.41Å; L83-L123 HydrophobicContact CB-CD1 4.25Å; L83-L123 HydrophobicContact CD2-CD1 3.97Å; L83-L123 HydrophobicContact CG-CD1 3.81Å; L83-L168 HydrophobicContact CD1-CD1 4.49Å; L83-I172 HydrophobicContact CD1-CD1 3.85Å; L83-I172 HydrophobicContact CD1-CG1 3.86Å; L83-I172 HydrophobicContact CD2-CG1 4.46Å
84	R	98.4	Very high	98.1	Very high	26 Å²	26	31.7 Å²	31.7	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-36.7	178.3	-168.5	-177.3	81.7	146.2	-2	112.3	C80 C81 L82 R88 K120 L123 H127	C80-R84 VanDerWaalsContact O-CB 3.25Å; C80-R84 WeakPolarHBondContact O-CB 3.26Å; C80-R84 PolarHBondContact O-N 3.22Å; C81-R84 PolarHBondContact O-N 2.88Å; L82-R84 PolarHBondContact O-N 3.2Å; R84-R88 PolarHBondContact O-N 3Å; R84-K120 HydrophobicContact CG-CD 4.48Å; R84-L123 HydrophobicContact CB-CB 4.39Å; R84-L123 HydrophobicContact CB-CD1 4.08Å; R84-L123 HydrophobicContact CG-CB 4.24Å; R84-H127 PolarHBondContact NH1-CD2 3.1Å; R84-H127 PolarHBondContact NH1-ND1 3.26Å; R84-H127 PolarHBondContact NH1-NE2 3.06Å
85	H	98.8	Very high	98.2	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.12	16%	0.158	C	C	.	.	H	α-helix	trans	-75	-39.2	176.4	-85.5	-94.9	0	0	0	112.6	C81 L82 L83 R88 L89 Y142	C81-H85 PolarHBondContact O-CD2 3.22Å; C81-H85 VanDerWaalsContact O-CD2 3.28Å; C81-H85 PolarHBondContact O-N 3.24Å; L82-H85 PolarHBondContact O-N 3.25Å; L83-H85 PolarHBondContact O-N 2.7Å; H85-R88 WeakPolarHBondContact O-CB 3.46Å; H85-R88 PolarHBondContact O-N 3.42Å; H85-L89 PolarHBondContact O-N 3.41Å; H85-Y142 HydrophobicContact CB-CD1 4.01Å; H85-Y142 HydrophobicContact CB-CD2 3.59Å; H85-Y142 HydrophobicContact CB-CE1 4.14Å; H85-Y142 HydrophobicContact CB-CE2 3.74Å; H85-Y142 HydrophobicContact CB-CG 3.72Å; H85-Y142 AromaticContact ND1-CD1 3.62Å; H85-Y142 AromaticContact ND1-CE1 3.4Å; H85-Y142 WeakPolarHBondContact ND1-CE1 3.19Å; H85-Y142 AromaticContact ND1-CZ 3.87Å
86	L	98.8	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-50.2	172.3	-72.4	169.2	0	0	0	111.7	L65 L82 L83 R88 L89 Y90 I145 L168 W171	L65-L86 HydrophobicContact CD2-CD2 4.07Å; L82-L86 HydrophobicContact CD1-CD1 4.29Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.17Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 3.02Å; L83-L86 PolarHBondContact O-N 3.26Å; L86-R88 PolarHBondContact O-N 3.31Å; L86-L89 WeakPolarHBondContact O-CB 3.4Å; L86-L89 PolarHBondContact O-N 3.26Å; L86-L89 VanDerWaalsContact O-N 3.07Å; L86-Y90 WeakPolarHBondContact O-CD2 3.35Å; L86-Y90 PolarHBondContact O-N 3Å; L86-I145 HydrophobicContact CD2-CD1 3.82Å; L86-I145 HydrophobicContact CD2-CG2 3.93Å; L86-L168 HydrophobicContact CB-CD1 4.43Å; L86-L168 HydrophobicContact CD1-CD1 3.91Å; L86-W171 HydrophobicContact CD1-CE3 4.41Å; L86-W171 HydrophobicContact CD1-CZ3 4.35Å
87	L	98.6	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-37.5	177.2	-62.9	-177.3	0	0	0	111.8	L83 Y90 L91 F116 I119 K120 L123	L83-L87 HydrophobicContact CD1-CD1 4.46Å; L83-L87 HydrophobicContact CD1-CD2 4.1Å; L83-L87 HydrophobicContact CD1-CG 3.99Å; L83-L87 HydrophobicContact CG-CD1 4.31Å; L83-L87 HydrophobicContact CG-CG 4.25Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.41Å; L87-Y90 PolarHBondContact O-N 2.84Å; L87-L91 WeakPolarHBondContact O-CB 3Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 VanDerWaalsContact O-CG 3.23Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.1Å; L87-F116 HydrophobicContact CD2-CD1 3.32Å; L87-F116 HydrophobicContact CD2-CE1 3.43Å; L87-F116 VanDerWaalsContact CD2-CE1 3.43Å; L87-F116 HydrophobicContact CD2-CG 4.08Å; L87-F116 HydrophobicContact CD2-CZ 4.26Å; L87-I119 HydrophobicContact CD1-CB 3.8Å; L87-I119 HydrophobicContact CD1-CG2 3.49Å; L87-I119 VanDerWaalsContact CD1-CG2 3.49Å; L87-K120 HydrophobicContact CB-CD 4.02Å; L87-K120 HydrophobicContact CD1-CB 4.28Å; L87-L123 HydrophobicContact CD1-CD1 3.69Å
88	R	98.6	Very high	98.4	Very high	79 Å²	79	30.2 Å²	30.2	30%	0.298	13%	0.134	S	C	.	.	H	α-helix	trans	-63.3	-46.9	174.5	-176.5	-177.5	-72.8	124.6	-8.7	111.3	R84 H85 L86 Y90 L91 D92	R84-R88 PolarHBondContact O-N 3Å; H85-R88 WeakPolarHBondContact O-CB 3.46Å; H85-R88 PolarHBondContact O-N 3.42Å; L86-R88 PolarHBondContact O-N 3.31Å; R88-Y90 VanDerWaalsContact C-N 3.3Å; R88-Y90 PolarHBondContact O-N 3.34Å; R88-L91 PolarHBondContact O-N 2.84Å; R88-D92 WeakPolarHBondContact CG-OD2 3.32Å; R88-D92 VanDerWaalsContact O-CB 3.23Å; R88-D92 WeakPolarHBondContact O-CB 3.25Å; R88-D92 PolarHBondContact O-N 3.38Å
89	L	98.8	Very high	98.4	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-54.9	-48	176	174.5	65.2	0	0	0	111	H85 L86 R93 V94 Y142 I145 L146 F149	H85-L89 PolarHBondContact O-N 3.41Å; L86-L89 WeakPolarHBondContact O-CB 3.4Å; L86-L89 PolarHBondContact O-N 3.26Å; L86-L89 VanDerWaalsContact O-N 3.07Å; L89-R93 HydrophobicContact CD1-CB 4.07Å; L89-R93 HydrophobicContact CD1-CG 4.36Å; L89-R93 WeakPolarHBondContact O-CA 3.34Å; L89-R93 WeakPolarHBondContact O-CB 3.36Å; L89-R93 PolarHBondContact O-N 3.35Å; L89-V94 PolarHBondContact O-N 3.14Å; L89-Y142 HydrophobicContact CB-CE2 4.43Å; L89-I145 HydrophobicContact CD2-CG2 4.4Å; L89-L146 HydrophobicContact CD1-CD1 4.09Å; L89-F149 HydrophobicContact CD1-CD1 4.29Å; L89-F149 HydrophobicContact CD1-CD2 4.48Å; L89-F149 HydrophobicContact CD1-CE1 4.42Å; L89-F149 HydrophobicContact CD1-CG 4.34Å
90	Y	98.9	Very high	98.4	Very high	1 Å²	1	36 Å²	36	0%	0.004	16%	0.164	C	C	.	.	I	π-helix	trans	-64.1	-46.3	-179.7	-86.4	-97.9	0	0	0	112.9	L86 L87 R88 V94 F95 F116 A161 L165 L168	L86-Y90 WeakPolarHBondContact O-CD2 3.35Å; L86-Y90 PolarHBondContact O-N 3Å; L87-Y90 PolarHBondContact O-N 2.84Å; R88-Y90 VanDerWaalsContact C-N 3.3Å; R88-Y90 PolarHBondContact O-N 3.34Å; Y90-V94 HydrophobicContact CD1-CB 4.01Å; Y90-V94 HydrophobicContact CD1-CG1 4.01Å; Y90-V94 HydrophobicContact CD1-CG2 4.11Å; Y90-V94 HydrophobicContact CE1-CG1 4.28Å; Y90-V94 HydrophobicContact CE1-CG2 4.48Å; Y90-V94 HydrophobicContact CG-CB 4.39Å; Y90-V94 HydrophobicContact CG-CG2 4.23Å; Y90-V94 CarbonylContact O-C 3.37Å; Y90-V94 WeakPolarHBondContact O-CA 3.23Å; Y90-V94 WeakPolarHBondContact O-CB 3.21Å; Y90-V94 PolarHBondContact O-N 3Å; Y90-F95 HydrophobicContact CD1-CE1 4.23Å; Y90-F95 HydrophobicContact CD1-CE2 4.43Å; Y90-F95 AromaticContact CD1-CZ 3.98Å; Y90-F95 HydrophobicContact CD1-CZ 3.98Å; Y90-F95 WeakPolarHBondContact O-CD2 3.29Å; Y90-F95 PolarHBondContact O-N 2.95Å; Y90-F116 HydrophobicContact CD1-CE1 4.46Å; Y90-F116 HydrophobicContact CG-CE1 4.18Å; Y90-A161 VanDerWaalsContact CE1-O 3.23Å; Y90-A161 WeakPolarHBondContact CE1-O 3.4Å; Y90-A161 PolarHBondContact OH-O 3.26Å; Y90-L165 HydrophobicContact CD1-CD1 4.26Å; Y90-L165 HydrophobicContact CE1-CD1 3.87Å; Y90-L168 HydrophobicContact CD2-CD2 3.89Å; Y90-L168 HydrophobicContact CE2-CD2 3.6Å; Y90-L168 HydrophobicContact CG-CD2 4.5Å
91	L	98.8	Very high	98.3	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.168	20%	0.201	C	C	.	.	I	π-helix	trans	-66.3	-44.6	178.9	-70	165.3	0	0	0	112.3	L87 R88 F95 A113 F116 L117 K120	L87-L91 WeakPolarHBondContact O-CB 3Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 VanDerWaalsContact O-CG 3.23Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.1Å; R88-L91 PolarHBondContact O-N 2.84Å; L91-F95 HydrophobicContact CD2-CD2 4.15Å; L91-F95 HydrophobicContact CD2-CE2 4.42Å; L91-A113 HydrophobicContact CD2-CB 4.39Å; L91-A113 WeakPolarHBondContact CD2-O 3.06Å; L91-F116 HydrophobicContact CD2-CB 4.05Å; L91-F116 HydrophobicContact CG-CB 4.38Å; L91-L117 HydrophobicContact CD2-CB 4.36Å; L91-K120 HydrophobicContact CD1-CB 3.87Å; L91-K120 HydrophobicContact CD1-CD 4.37Å; L91-K120 HydrophobicContact CD1-CG 3.84Å
92	D	98.5	Very high	98.3	Very high	80 Å²	80	45 Å²	45	43%	0.428	22%	0.218	S	C	.	.	I	π-helix	trans	-86.8	-23.6	-171.2	-68.4	-15.7	0	0	0	113.3	R88 K96	R88-D92 WeakPolarHBondContact CG-OD2 3.32Å; R88-D92 VanDerWaalsContact O-CB 3.23Å; R88-D92 WeakPolarHBondContact O-CB 3.25Å; R88-D92 PolarHBondContact O-N 3.38Å; D92-K96 WeakPolarHBondContact O-CE 3.18Å; D92-K96 PolarHBondContact O-NZ 3.05Å
93	R	98.6	Very high	98.2	Very high	107 Å²	107	51.7 Å²	51.7	40%	0.404	25%	0.249	S	C	.	.	I	π-helix	trans	-130.7	-21.3	-172.7	-63.6	-170.7	166.5	-173.2	-2.1	115	L89 N97 F149 E150 V158	L89-R93 HydrophobicContact CD1-CB 4.07Å; L89-R93 HydrophobicContact CD1-CG 4.36Å; L89-R93 WeakPolarHBondContact O-CA 3.34Å; L89-R93 WeakPolarHBondContact O-CB 3.36Å; L89-R93 PolarHBondContact O-N 3.35Å; R93-N97 WeakPolarHBondContact CA-ND2 3.32Å; R93-N97 WeakPolarHBondContact O-CB 3.43Å; R93-N97 PolarHBondContact O-ND2 3.23Å; R93-F149 HydrophobicContact CB-CE1 4.37Å; R93-F149 HydrophobicContact CB-CZ 4.17Å; R93-E150 IonicContact CZ-OE1 3.19Å; R93-E150 IonicContact NH1-OE1 2.81Å; R93-E150 PolarHBondContact NH1-OE1 3.06Å; R93-E150 IonicContact NH2-OE1 3.84Å; R93-V158 VanDerWaalsContact O-CG2 3.27Å; R93-V158 WeakPolarHBondContact O-CG2 3.26Å
94	V	98.8	Very high	98.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-99.4	-68.7	-177	-175.8	0	0	0	0	111.3	L89 Y90 K96 N97 Y98 F149 V158 A161 L162	L89-V94 PolarHBondContact O-N 3.14Å; Y90-V94 HydrophobicContact CD1-CB 4.01Å; Y90-V94 HydrophobicContact CD1-CG1 4.01Å; Y90-V94 HydrophobicContact CD1-CG2 4.11Å; Y90-V94 HydrophobicContact CE1-CG1 4.28Å; Y90-V94 HydrophobicContact CE1-CG2 4.48Å; Y90-V94 HydrophobicContact CG-CB 4.39Å; Y90-V94 HydrophobicContact CG-CG2 4.23Å; Y90-V94 CarbonylContact O-C 3.37Å; Y90-V94 WeakPolarHBondContact O-CA 3.23Å; Y90-V94 WeakPolarHBondContact O-CB 3.21Å; Y90-V94 PolarHBondContact O-N 3Å; V94-K96 PolarHBondContact O-N 3.27Å; V94-N97 PolarHBondContact O-N 3.37Å; V94-N97 VanDerWaalsContact O-N 3.09Å; V94-Y98 PolarHBondContact O-N 3.1Å; V94-Y98 VanDerWaalsContact O-N 3.14Å; V94-F149 HydrophobicContact CG2-CE2 3.94Å; V94-F149 HydrophobicContact CG2-CZ 4.48Å; V94-V158 HydrophobicContact CG1-CG1 4.25Å; V94-V158 VanDerWaalsContact O-CG1 3.32Å; V94-V158 WeakPolarHBondContact O-CG1 3.07Å; V94-A161 HydrophobicContact CG1-CB 4.21Å; V94-A161 HydrophobicContact CG2-CB 3.72Å; V94-L162 HydrophobicContact CG1-CB 3.9Å
95	F	98.7	Very high	98.2	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.048	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.7	-45	-168.9	-63.6	-49.1	0	0	0	113.2	Y90 L91 N97 I109 L112 A113 F116 L162	Y90-F95 HydrophobicContact CD1-CE1 4.23Å; Y90-F95 HydrophobicContact CD1-CE2 4.43Å; Y90-F95 AromaticContact CD1-CZ 3.98Å; Y90-F95 HydrophobicContact CD1-CZ 3.98Å; Y90-F95 WeakPolarHBondContact O-CD2 3.29Å; Y90-F95 PolarHBondContact O-N 2.95Å; L91-F95 HydrophobicContact CD2-CD2 4.15Å; L91-F95 HydrophobicContact CD2-CE2 4.42Å; F95-N97 PolarHBondContact O-N 3.3Å; F95-I109 HydrophobicContact CB-CG2 3.98Å; F95-I109 HydrophobicContact CD1-CG2 4.07Å; F95-I109 HydrophobicContact CG-CG2 4.44Å; F95-I109 WeakPolarHBondContact O-CG2 3.3Å; F95-L112 HydrophobicContact CE1-CB 4.1Å; F95-L112 HydrophobicContact CZ-CB 4.3Å; F95-A113 HydrophobicContact CB-CB 3.92Å; F95-A113 HydrophobicContact CD2-CB 3.64Å; F95-A113 HydrophobicContact CE2-CB 4.29Å; F95-A113 HydrophobicContact CG-CB 3.86Å; F95-F116 HydrophobicContact CE2-CB 3.91Å; F95-F116 AromaticContact CE2-CD1 3.62Å; F95-F116 HydrophobicContact CE2-CD1 3.62Å; F95-F116 HydrophobicContact CE2-CD2 4.26Å; F95-F116 HydrophobicContact CE2-CE1 4.27Å; F95-F116 AromaticContact CE2-CG 3.66Å; F95-F116 HydrophobicContact CE2-CG 3.66Å; F95-F116 AromaticContact CZ-CD1 3.87Å; F95-F116 HydrophobicContact CZ-CD1 3.87Å; F95-F116 HydrophobicContact CZ-CD2 4.07Å; F95-F116 HydrophobicContact CZ-CE1 4.1Å; F95-F116 HydrophobicContact CZ-CE2 4.28Å; F95-F116 AromaticContact CZ-CG 3.9Å; F95-F116 HydrophobicContact CZ-CG 3.9Å; F95-F116 HydrophobicContact CZ-CZ 4.35Å; F95-L162 HydrophobicContact CD1-CD1 4Å; F95-L162 HydrophobicContact CE1-CD1 3.76Å
96	K	97.3	Very high	98.2	Very high	146 Å²	146	56.6 Å²	56.6	64%	0.635	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72	-17.4	-178	76.7	-179.5	-163.5	-160.1	0	114	D92 V94	D92-K96 WeakPolarHBondContact O-CE 3.18Å; D92-K96 PolarHBondContact O-NZ 3.05Å; V94-K96 PolarHBondContact O-N 3.27Å
97	N	98.3	Very high	98.2	Very high	69 Å²	69	64.6 Å²	64.6	37%	0.369	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-107.5	-2.9	-174.3	-65.5	-31.6	0	0	0	112.7	R93 V94 F95 Q99 Q155 V158	R93-N97 WeakPolarHBondContact CA-ND2 3.32Å; R93-N97 WeakPolarHBondContact O-CB 3.43Å; R93-N97 PolarHBondContact O-ND2 3.23Å; V94-N97 PolarHBondContact O-N 3.37Å; V94-N97 VanDerWaalsContact O-N 3.09Å; F95-N97 PolarHBondContact O-N 3.3Å; N97-Q99 PolarHBondContact O-N 2.9Å; N97-Q155 PolarHBondContact O-OE1 2.86Å; N97-V158 HydrophobicContact CB-CG1 4.37Å; N97-V158 HydrophobicContact CB-CG2 3.93Å
98	Y	98.4	Very high	98.2	Very high	9 Å²	9	67 Å²	67	4%	0.035	31%	0.313	C	S	.	.			trans	-72.9	121.4	177.7	-175.1	-88	0	0	0	110.2	V53 V94 T100 T105 I109 V158 V159 L162	V53-Y98 HydrophobicContact CG1-CE2 4.16Å; V53-Y98 HydrophobicContact CG2-CE2 4.33Å; V94-Y98 PolarHBondContact O-N 3.1Å; V94-Y98 VanDerWaalsContact O-N 3.14Å; Y98-T100 HydrophobicContact CD1-CG2 4.09Å; Y98-T100 HydrophobicContact CE1-CG2 3.77Å; Y98-T105 HydrophobicContact CE1-CG2 3.94Å; Y98-I109 HydrophobicContact CD1-CD1 3.17Å; Y98-I109 HydrophobicContact CE1-CD1 3.71Å; Y98-I109 HydrophobicContact CG-CD1 3.72Å; Y98-V158 HydrophobicContact CD2-CG1 4.16Å; Y98-V158 HydrophobicContact CG-CG1 4.49Å; Y98-V159 HydrophobicContact CD2-CG2 4.21Å; Y98-V159 HydrophobicContact CE2-CB 4.42Å; Y98-V159 HydrophobicContact CE2-CG2 3.84Å; Y98-L162 HydrophobicContact CD1-CD2 4.26Å; Y98-L162 HydrophobicContact CD2-CB 4.4Å; Y98-L162 HydrophobicContact CD2-CD2 3.44Å; Y98-L162 VanDerWaalsContact CD2-CD2 3.44Å; Y98-L162 HydrophobicContact CE1-CD2 4.43Å; Y98-L162 HydrophobicContact CE2-CD2 3.7Å; Y98-L162 HydrophobicContact CG-CD2 3.74Å
99	Q	96.5	Very high	98.2	Very high	143 Å²	143	63.5 Å²	63.5	67%	0.668	30%	0.301	S	S	*	.			trans	-104	126.8	-175.4	-60.2	-178.6	11.8	0	0	110.7	N97	N97-Q99 PolarHBondContact O-N 2.9Å
100	T	97.1	Very high	98.1	Very high	23 Å²	23	66.4 Å²	66.4	14%	0.141	32%	0.321	C	S	.	.			trans	-157.9	142.6	173.4	-172.4	0	0	0	0	109.6	K56 Y98 D102 T105 L106	K56-T100 PolarHBondContact NZ-OG1 2.88Å; Y98-T100 HydrophobicContact CD1-CG2 4.09Å; Y98-T100 HydrophobicContact CE1-CG2 3.77Å; T100-D102 PolarHBondContact O-N 3.46Å; T100-D102 PolarHBondContact OG1-N 3.42Å; T100-T105 HydrophobicContact CG2-CG2 3.88Å; T100-L106 HydrophobicContact CG2-CD2 3.79Å; T100-L106 HydrophobicContact CG2-CG 3.83Å
101	P	97	Very high	98.1	Very high	120 Å²	120	69.6 Å²	69.6	78%	0.779	34%	0.343	S	S	*	.	S	Bend	trans	-73.9	-15.2	172.6	31.2	-35.5	0	0	0	112.5	H103	P101-H103 PolarHBondContact O-N 3.17Å
102	D	97.8	Very high	98.1	Very high	68 Å²	68	68.2 Å²	68.2	36%	0.364	34%	0.336	S	S	.	.			trans	-75.4	107	-179.3	174.5	29.7	0	0	0	112.5	T100 Y104 T105 L106	T100-D102 PolarHBondContact O-N 3.46Å; T100-D102 PolarHBondContact OG1-N 3.42Å; D102-Y104 PolarHBondContact O-N 3.36Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.33Å; D102-Y104 PolarHBondContact OD1-N 3.46Å; D102-T105 PolarHBondContact O-N 3.46Å; D102-T105 VanDerWaalsContact OD2-CB 3.23Å; D102-T105 WeakPolarHBondContact OD2-CB 3.31Å; D102-T105 PolarHBondContact OD2-N 2.93Å; D102-T105 PolarHBondContact OD2-OG1 3.17Å; D102-L106 PolarHBondContact O-N 3.36Å; D102-L106 VanDerWaalsContact O-N 3.11Å
103	H	97.8	Very high	98.1	Very high	142 Å²	142	65.4 Å²	65.4	66%	0.657	32%	0.324	S	S	*	.	H	α-helix	trans	-62.6	-25.6	176.2	-66.1	-66.4	0	0	0	114	P101 R107	P101-H103 PolarHBondContact O-N 3.17Å; H103-R107 WeakPolarHBondContact O-CG 3.44Å; H103-R107 PolarHBondContact O-N 3.03Å; H103-R107 VanDerWaalsContact O-N 3.14Å
104	Y	98.1	Very high	98.1	Very high	81 Å²	81	64.5 Å²	64.5	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-50.5	174.1	177.7	-107.3	0	0	0	110.6	E48 D102 L106 R107 K108	E48-Y104 HydrophobicContact CB-CE1 4.37Å; E48-Y104 PolarHBondContact OE2-OH 3Å; D102-Y104 PolarHBondContact O-N 3.36Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.33Å; D102-Y104 PolarHBondContact OD1-N 3.46Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.31Å; Y104-R107 PolarHBondContact O-N 2.92Å; Y104-R107 VanDerWaalsContact O-N 3.15Å; Y104-K108 HydrophobicContact CE1-CG 4.22Å; Y104-K108 HydrophobicContact CE2-CG 4.48Å; Y104-K108 PolarHBondContact O-N 2.69Å; Y104-K108 VanDerWaalsContact O-N 3.07Å; Y104-K108 WeakPolarHBondContact OH-CE 3.26Å
105	T	98.3	Very high	98.1	Very high	6 Å²	6	65.2 Å²	65.2	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-43.5	175.4	-63.3	0	0	0	0	111.9	I49 Y98 T100 D102 R107 K108 I109	I49-T105 HydrophobicContact CB-CG2 4.48Å; I49-T105 HydrophobicContact CD1-CG2 4.48Å; I49-T105 HydrophobicContact CG2-CG2 4.2Å; Y98-T105 HydrophobicContact CE1-CG2 3.94Å; T100-T105 HydrophobicContact CG2-CG2 3.88Å; D102-T105 PolarHBondContact O-N 3.46Å; D102-T105 VanDerWaalsContact OD2-CB 3.23Å; D102-T105 WeakPolarHBondContact OD2-CB 3.31Å; D102-T105 PolarHBondContact OD2-N 2.93Å; D102-T105 PolarHBondContact OD2-OG1 3.17Å; T105-R107 VanDerWaalsContact C-N 3.32Å; T105-R107 PolarHBondContact O-N 3.4Å; T105-K108 PolarHBondContact O-N 3.41Å; T105-I109 HydrophobicContact CG2-CD1 3.78Å; T105-I109 HydrophobicContact CG2-CG1 4.36Å; T105-I109 WeakPolarHBondContact O-CG1 3.46Å; T105-I109 PolarHBondContact O-N 3.3Å
106	L	98.3	Very high	98.1	Very high	67 Å²	67	64.7 Å²	64.7	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-39.7	177.1	-69.1	175.8	0	0	0	112.8	T100 D102 Y104 I109 S110	T100-L106 HydrophobicContact CG2-CD2 3.79Å; T100-L106 HydrophobicContact CG2-CG 3.83Å; D102-L106 PolarHBondContact O-N 3.36Å; D102-L106 VanDerWaalsContact O-N 3.11Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.31Å; L106-I109 PolarHBondContact O-N 3.3Å; L106-S110 PolarHBondContact O-N 3.13Å
107	R	98.5	Very high	98.1	Very high	168 Å²	168	61 Å²	61	63%	0.634	32%	0.317	S	S	*	.	H	α-helix	trans	-63.6	-43.7	174.8	-75.6	-174.9	-68.1	159	-3.6	111.7	H103 Y104 T105 S110 S111	H103-R107 WeakPolarHBondContact O-CG 3.44Å; H103-R107 PolarHBondContact O-N 3.03Å; H103-R107 VanDerWaalsContact O-N 3.14Å; Y104-R107 PolarHBondContact O-N 2.92Å; Y104-R107 VanDerWaalsContact O-N 3.15Å; T105-R107 VanDerWaalsContact C-N 3.32Å; T105-R107 PolarHBondContact O-N 3.4Å; R107-S110 WeakPolarHBondContact O-CB 3.29Å; R107-S110 PolarHBondContact O-N 3.5Å; R107-S111 PolarHBondContact O-N 3.14Å; R107-S111 PolarHBondContact O-OG 3.24Å
108	K	98.5	Very high	98.1	Very high	50 Å²	50	61.5 Å²	61.5	22%	0.217	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-42.1	176.6	-67.8	-66.6	-175.9	172.9	0	112.1	E48 I49 Y104 T105 S110 S111 L112	E48-K108 HydrophobicContact CB-CD 4.27Å; E48-K108 HydrophobicContact CB-CG 4.48Å; I49-K108 HydrophobicContact CD1-CB 4.2Å; I49-K108 HydrophobicContact CG2-CB 3.73Å; I49-K108 HydrophobicContact CG2-CG 3.87Å; Y104-K108 HydrophobicContact CE1-CG 4.22Å; Y104-K108 HydrophobicContact CE2-CG 4.48Å; Y104-K108 PolarHBondContact O-N 2.69Å; Y104-K108 VanDerWaalsContact O-N 3.07Å; Y104-K108 WeakPolarHBondContact OH-CE 3.26Å; T105-K108 PolarHBondContact O-N 3.41Å; K108-S110 VanDerWaalsContact C-N 3.33Å; K108-S110 PolarHBondContact O-N 3.24Å; K108-S111 WeakPolarHBondContact O-CB 3.47Å; K108-S111 PolarHBondContact O-N 3.03Å; K108-L112 VanDerWaalsContact O-CG 3.3Å; K108-L112 WeakPolarHBondContact O-CG 3.33Å; K108-L112 PolarHBondContact O-N 2.81Å
109	I	98.6	Very high	98	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.036	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-42	174.7	-69.8	169	0	0	0	111.3	I49 F95 Y98 T105 L106 L112 A113 L162	I49-I109 HydrophobicContact CD1-CG1 3.91Å; F95-I109 HydrophobicContact CB-CG2 3.98Å; F95-I109 HydrophobicContact CD1-CG2 4.07Å; F95-I109 HydrophobicContact CG-CG2 4.44Å; F95-I109 WeakPolarHBondContact O-CG2 3.3Å; Y98-I109 HydrophobicContact CD1-CD1 3.17Å; Y98-I109 HydrophobicContact CE1-CD1 3.71Å; Y98-I109 HydrophobicContact CG-CD1 3.72Å; T105-I109 HydrophobicContact CG2-CD1 3.78Å; T105-I109 HydrophobicContact CG2-CG1 4.36Å; T105-I109 WeakPolarHBondContact O-CG1 3.46Å; T105-I109 PolarHBondContact O-N 3.3Å; L106-I109 PolarHBondContact O-N 3.3Å; I109-L112 PolarHBondContact O-N 3.44Å; I109-A113 WeakPolarHBondContact O-CB 3.35Å; I109-A113 PolarHBondContact O-N 3.38Å; I109-L162 HydrophobicContact CD1-CD2 3.83Å; I109-L162 HydrophobicContact CG1-CD2 4.07Å
110	S	98.5	Very high	98.1	Very high	65 Å²	65	55.7 Å²	55.7	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-44.3	175	-175.3	0	0	0	0	112	L106 R107 K108 A113 N114	L106-S110 PolarHBondContact O-N 3.13Å; R107-S110 WeakPolarHBondContact O-CB 3.29Å; R107-S110 PolarHBondContact O-N 3.5Å; K108-S110 VanDerWaalsContact C-N 3.33Å; K108-S110 PolarHBondContact O-N 3.24Å; S110-A113 PolarHBondContact O-N 2.86Å; S110-N114 PolarHBondContact O-N 3.41Å; S110-N114 PolarHBondContact O-ND2 3.37Å
111	S	98.4	Very high	98.2	Very high	67 Å²	67	60.5 Å²	60.5	47%	0.469	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-48.5	174.2	-63.5	0	0	0	0	111.7	R107 K108 A113 N114 S115	R107-S111 PolarHBondContact O-N 3.14Å; R107-S111 PolarHBondContact O-OG 3.24Å; K108-S111 WeakPolarHBondContact O-CB 3.47Å; K108-S111 PolarHBondContact O-N 3.03Å; S111-A113 PolarHBondContact O-N 3.04Å; S111-N114 PolarHBondContact O-N 2.04Å; S111-S115 PolarHBondContact O-N 2.04Å; S111-S115 PolarHBondContact O-OG 3.17Å
112	L	98.6	Very high	98.2	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-45.2	177.2	-69.3	169	0	0	0	112.1	I42 F46 I49 F95 K108 I109 N114 S115 F116 L165	I42-L112 HydrophobicContact CG2-CD2 3.74Å; I42-L112 WeakPolarHBondContact O-CD2 3.4Å; F46-L112 HydrophobicContact CB-CD1 4.35Å; F46-L112 HydrophobicContact CB-CD2 4.15Å; F46-L112 HydrophobicContact CD2-CD1 4.31Å; I49-L112 HydrophobicContact CD1-CD1 3.91Å; F95-L112 HydrophobicContact CE1-CB 4.1Å; F95-L112 HydrophobicContact CZ-CB 4.3Å; K108-L112 VanDerWaalsContact O-CG 3.3Å; K108-L112 WeakPolarHBondContact O-CG 3.33Å; K108-L112 PolarHBondContact O-N 2.81Å; I109-L112 PolarHBondContact O-N 3.44Å; L112-N114 VanDerWaalsContact C-N 3.3Å; L112-N114 PolarHBondContact O-N 3.36Å; L112-S115 PolarHBondContact O-N 3.46Å; L112-F116 WeakPolarHBondContact O-CB 3.35Å; L112-F116 VanDerWaalsContact O-CD2 3.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.3Å; L112-F116 PolarHBondContact O-N 3.45Å; L112-L165 HydrophobicContact CD1-CD2 3.99Å; L112-L165 HydrophobicContact CD2-CD2 4.22Å
113	A	98.7	Very high	98.2	Very high	21 Å²	21	53.9 Å²	53.9	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-38.4	177.9	0	0	0	0	0	112.2	L91 F95 I109 S110 S111 F116 L117	L91-A113 HydrophobicContact CD2-CB 4.39Å; L91-A113 WeakPolarHBondContact CD2-O 3.06Å; F95-A113 HydrophobicContact CB-CB 3.92Å; F95-A113 HydrophobicContact CD2-CB 3.64Å; F95-A113 HydrophobicContact CE2-CB 4.29Å; F95-A113 HydrophobicContact CG-CB 3.86Å; I109-A113 WeakPolarHBondContact O-CB 3.35Å; I109-A113 PolarHBondContact O-N 3.38Å; S110-A113 PolarHBondContact O-N 2.86Å; S111-A113 PolarHBondContact O-N 3.04Å; A113-F116 PolarHBondContact O-N 3.46Å; A113-L117 WeakPolarHBondContact O-CB 3.49Å; A113-L117 PolarHBondContact O-N 2.98Å
114	N	98.5	Very high	98.2	Very high	89 Å²	89	55.8 Å²	55.8	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-68.7	-42.6	176.7	-78.2	-65.9	0	0	0	112.2	S110 S111 L112 F116 L117 T118	S110-N114 PolarHBondContact O-N 3.41Å; S110-N114 PolarHBondContact O-ND2 3.37Å; S111-N114 PolarHBondContact O-N 2.04Å; L112-N114 VanDerWaalsContact C-N 3.3Å; L112-N114 PolarHBondContact O-N 3.36Å; N114-F116 VanDerWaalsContact C-N 3.32Å; N114-F116 PolarHBondContact O-N 2.93Å; N114-L117 WeakPolarHBondContact O-CB 3.35Å; N114-L117 PolarHBondContact O-N 3.48Å; N114-L117 VanDerWaalsContact O-N 3.17Å; N114-T118 PolarHBondContact O-N 3.45Å; N114-T118 VanDerWaalsContact O-N 3.1Å; N114-T118 PolarHBondContact O-OG1 3.25Å
115	S	97.6	Very high	98.2	Very high	15 Å²	15	56.6 Å²	56.6	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-41.9	174.2	-54.6	0	0	0	0	111.2	E41 S111 L112 L117 T118 I119	E41-S115 PolarHBondContact OE2-OG 3.19Å; S111-S115 PolarHBondContact O-N 2.04Å; S111-S115 PolarHBondContact O-OG 3.17Å; L112-S115 PolarHBondContact O-N 3.46Å; S115-L117 VanDerWaalsContact C-N 3.32Å; S115-L117 PolarHBondContact O-N 2.92Å; S115-T118 WeakPolarHBondContact O-CB 3.48Å; S115-T118 PolarHBondContact O-N 3.24Å; S115-I119 PolarHBondContact O-N 3.03Å
116	F	98.4	Very high	98.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-38.2	173.6	-90.7	-125.1	0	0	0	112.6	I42 L87 Y90 L91 F95 L112 A113 N114 T118 I119 K120 L165 L168 L169	I42-F116 HydrophobicContact CD1-CD2 4.45Å; I42-F116 HydrophobicContact CD1-CE2 4.41Å; I42-F116 HydrophobicContact CG2-CD2 4.42Å; I42-F116 HydrophobicContact CG2-CE2 3.82Å; L87-F116 HydrophobicContact CD2-CD1 3.32Å; L87-F116 HydrophobicContact CD2-CE1 3.43Å; L87-F116 VanDerWaalsContact CD2-CE1 3.43Å; L87-F116 HydrophobicContact CD2-CG 4.08Å; L87-F116 HydrophobicContact CD2-CZ 4.26Å; Y90-F116 HydrophobicContact CD1-CE1 4.46Å; Y90-F116 HydrophobicContact CG-CE1 4.18Å; L91-F116 HydrophobicContact CD2-CB 4.05Å; L91-F116 HydrophobicContact CG-CB 4.38Å; F95-F116 HydrophobicContact CE2-CB 3.91Å; F95-F116 AromaticContact CE2-CD1 3.62Å; F95-F116 HydrophobicContact CE2-CD1 3.62Å; F95-F116 HydrophobicContact CE2-CD2 4.26Å; F95-F116 HydrophobicContact CE2-CE1 4.27Å; F95-F116 AromaticContact CE2-CG 3.66Å; F95-F116 HydrophobicContact CE2-CG 3.66Å; F95-F116 AromaticContact CZ-CD1 3.87Å; F95-F116 HydrophobicContact CZ-CD1 3.87Å; F95-F116 HydrophobicContact CZ-CD2 4.07Å; F95-F116 HydrophobicContact CZ-CE1 4.1Å; F95-F116 HydrophobicContact CZ-CE2 4.28Å; F95-F116 AromaticContact CZ-CG 3.9Å; F95-F116 HydrophobicContact CZ-CG 3.9Å; F95-F116 HydrophobicContact CZ-CZ 4.35Å; L112-F116 WeakPolarHBondContact O-CB 3.35Å; L112-F116 VanDerWaalsContact O-CD2 3.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.3Å; L112-F116 PolarHBondContact O-N 3.45Å; A113-F116 PolarHBondContact O-N 3.46Å; N114-F116 VanDerWaalsContact C-N 3.32Å; N114-F116 PolarHBondContact O-N 2.93Å; F116-T118 VanDerWaalsContact C-N 3.3Å; F116-T118 PolarHBondContact O-N 3.44Å; F116-I119 PolarHBondContact O-N 3.41Å; F116-K120 VanDerWaalsContact O-CB 3.29Å; F116-K120 WeakPolarHBondContact O-CB 3.34Å; F116-K120 PolarHBondContact O-N 3.19Å; F116-L165 HydrophobicContact CE1-CD1 4.15Å; F116-L165 HydrophobicContact CE2-CD1 4.03Å; F116-L165 HydrophobicContact CZ-CD1 3.41Å; F116-L165 VanDerWaalsContact CZ-CD1 3.41Å; F116-L168 HydrophobicContact CE1-CD2 3.74Å; F116-L168 HydrophobicContact CZ-CD2 3.91Å; F116-L169 HydrophobicContact CE2-CD2 4.32Å; F116-L169 HydrophobicContact CZ-CD2 4.44Å
117	L	98.3	Very high	98.2	Very high	67 Å²	67	57.3 Å²	57.3	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-36.6	177.2	179.4	61.8	0	0	0	111.8	L91 A113 N114 S115 K120 K121	L91-L117 HydrophobicContact CD2-CB 4.36Å; A113-L117 WeakPolarHBondContact O-CB 3.49Å; A113-L117 PolarHBondContact O-N 2.98Å; N114-L117 WeakPolarHBondContact O-CB 3.35Å; N114-L117 PolarHBondContact O-N 3.48Å; N114-L117 VanDerWaalsContact O-N 3.17Å; S115-L117 VanDerWaalsContact C-N 3.32Å; S115-L117 PolarHBondContact O-N 2.92Å; L117-K120 PolarHBondContact O-N 2.93Å; L117-K121 WeakPolarHBondContact O-CG 3.01Å; L117-K121 PolarHBondContact O-N 2.92Å
118	T	97.6	Very high	98.2	Very high	80 Å²	80	52.6 Å²	52.6	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-51.7	174.3	-58.4	0	0	0	0	110.8	N114 S115 F116 K120 K121 D122	N114-T118 PolarHBondContact O-N 3.45Å; N114-T118 VanDerWaalsContact O-N 3.1Å; N114-T118 PolarHBondContact O-OG1 3.25Å; S115-T118 WeakPolarHBondContact O-CB 3.48Å; S115-T118 PolarHBondContact O-N 3.24Å; F116-T118 VanDerWaalsContact C-N 3.3Å; F116-T118 PolarHBondContact O-N 3.44Å; T118-K120 VanDerWaalsContact C-N 3.28Å; T118-K120 PolarHBondContact O-N 3.24Å; T118-K121 WeakPolarHBondContact O-CB 3.44Å; T118-K121 PolarHBondContact O-N 2.66Å; T118-D122 PolarHBondContact O-N 3.11Å
119	I	97.8	Very high	98.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-43.3	176.5	-53.2	173.1	0	0	0	110.6	I35 T37 I42 L87 S115 F116 K121 D122 L123	I35-I119 HydrophobicContact CD1-CG2 3.71Å; T37-I119 HydrophobicContact CG2-CD1 4.47Å; T37-I119 WeakPolarHBondContact OG1-CD1 3.46Å; T37-I119 VanDerWaalsContact OG1-CG1 3.29Å; T37-I119 WeakPolarHBondContact OG1-CG1 3.13Å; I42-I119 HydrophobicContact CD1-CD1 3.78Å; L87-I119 HydrophobicContact CD1-CB 3.8Å; L87-I119 HydrophobicContact CD1-CG2 3.49Å; L87-I119 VanDerWaalsContact CD1-CG2 3.49Å; S115-I119 PolarHBondContact O-N 3.03Å; F116-I119 PolarHBondContact O-N 3.41Å; I119-K121 PolarHBondContact O-N 3.19Å; I119-D122 PolarHBondContact O-N 3.47Å; I119-D122 VanDerWaalsContact O-N 3.15Å; I119-L123 HydrophobicContact CG2-CD1 4.36Å; I119-L123 HydrophobicContact CG2-CG 4.41Å; I119-L123 WeakPolarHBondContact O-CG 3.16Å; I119-L123 PolarHBondContact O-N 3.21Å
120	K	98	Very high	98.1	Very high	29 Å²	29	64.3 Å²	64.3	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-31.6	178.9	-178.6	71.2	-166.8	67.7	0	112.8	R84 L87 L91 F116 L117 T118 R124	R84-K120 HydrophobicContact CG-CD 4.48Å; L87-K120 HydrophobicContact CB-CD 4.02Å; L87-K120 HydrophobicContact CD1-CB 4.28Å; L91-K120 HydrophobicContact CD1-CB 3.87Å; L91-K120 HydrophobicContact CD1-CD 4.37Å; L91-K120 HydrophobicContact CD1-CG 3.84Å; F116-K120 VanDerWaalsContact O-CB 3.29Å; F116-K120 WeakPolarHBondContact O-CB 3.34Å; F116-K120 PolarHBondContact O-N 3.19Å; L117-K120 PolarHBondContact O-N 2.93Å; T118-K120 VanDerWaalsContact C-N 3.28Å; T118-K120 PolarHBondContact O-N 3.24Å; K120-R124 WeakPolarHBondContact O-CB 3.15Å; K120-R124 PolarHBondContact O-N 3.37Å; K120-R124 VanDerWaalsContact O-N 3.14Å
121	K	98.3	Very high	98.1	Very high	124 Å²	124	63.4 Å²	63.4	54%	0.539	33%	0.331	S	S	.	.	H	α-helix	trans	-70.6	-43.5	174.6	-74.1	168.8	178.4	174	0	110.9	L117 T118 I119 L123 R124 L125	L117-K121 WeakPolarHBondContact O-CG 3.01Å; L117-K121 PolarHBondContact O-N 2.92Å; T118-K121 WeakPolarHBondContact O-CB 3.44Å; T118-K121 PolarHBondContact O-N 2.66Å; I119-K121 PolarHBondContact O-N 3.19Å; K121-L123 PolarHBondContact O-N 3.39Å; K121-R124 WeakPolarHBondContact O-CA 3.49Å; K121-R124 VanDerWaalsContact O-CB 3.26Å; K121-R124 WeakPolarHBondContact O-CB 3.35Å; K121-R124 PolarHBondContact O-N 3.07Å; K121-L125 PolarHBondContact O-N 3.27Å; K121-L125 VanDerWaalsContact O-N 3.1Å
122	D	98.1	Very high	98	Very high	49 Å²	49	60.4 Å²	60.4	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-42.4	178.3	-60.6	-25.2	0	0	0	111.6	I35 T118 I119 R124 L125 C126	I35-D122 HydrophobicContact CB-CB 4.24Å; I35-D122 HydrophobicContact CD1-CB 4.38Å; I35-D122 HydrophobicContact CG2-CB 3.79Å; T118-D122 PolarHBondContact O-N 3.11Å; I119-D122 PolarHBondContact O-N 3.47Å; I119-D122 VanDerWaalsContact O-N 3.15Å; D122-R124 PolarHBondContact O-N 2.97Å; D122-L125 WeakPolarHBondContact O-CA 3.48Å; D122-L125 WeakPolarHBondContact O-CB 3.19Å; D122-L125 PolarHBondContact O-N 3.38Å; D122-C126 PolarHBondContact O-N 3.07Å
123	L	98.2	Very high	97.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-25.7	173	-61.2	-176.2	0	0	0	113	L30 I35 L83 R84 L87 I119 K121 H127	L30-L123 HydrophobicContact CD1-CD2 3.46Å; L30-L123 VanDerWaalsContact CD1-CD2 3.46Å; I35-L123 HydrophobicContact CD1-CD2 3.68Å; I35-L123 HydrophobicContact CD1-CG 4.16Å; L83-L123 HydrophobicContact CB-CD1 4.25Å; L83-L123 HydrophobicContact CD2-CD1 3.97Å; L83-L123 HydrophobicContact CG-CD1 3.81Å; R84-L123 HydrophobicContact CB-CB 4.39Å; R84-L123 HydrophobicContact CB-CD1 4.08Å; R84-L123 HydrophobicContact CG-CB 4.24Å; L87-L123 HydrophobicContact CD1-CD1 3.69Å; I119-L123 HydrophobicContact CG2-CD1 4.36Å; I119-L123 HydrophobicContact CG2-CG 4.41Å; I119-L123 WeakPolarHBondContact O-CG 3.16Å; I119-L123 PolarHBondContact O-N 3.21Å; K121-L123 PolarHBondContact O-N 3.39Å; L123-H127 PolarHBondContact O-N 2.87Å; L123-H127 VanDerWaalsContact O-N 3.07Å
124	R	97.9	Very high	97.8	Very high	183 Å²	183	67.4 Å²	67.4	69%	0.691	34%	0.343	S	S	*	.	H	α-helix	trans	-68.8	-37.2	171.8	-177	-177.9	178.2	160.3	0.1	110.6	K120 K121 D122 H127 A128	K120-R124 WeakPolarHBondContact O-CB 3.15Å; K120-R124 PolarHBondContact O-N 3.37Å; K120-R124 VanDerWaalsContact O-N 3.14Å; K121-R124 WeakPolarHBondContact O-CA 3.49Å; K121-R124 VanDerWaalsContact O-CB 3.26Å; K121-R124 WeakPolarHBondContact O-CB 3.35Å; K121-R124 PolarHBondContact O-N 3.07Å; D122-R124 PolarHBondContact O-N 2.97Å; R124-H127 PolarHBondContact O-N 2.91Å; R124-A128 PolarHBondContact O-N 3.5Å
125	L	98.3	Very high	97.7	Very high	98 Å²	98	63.9 Å²	63.9	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-45.9	173.5	-63.6	174.3	0	0	0	111.1	K121 D122 H127 A128 H129	K121-L125 PolarHBondContact O-N 3.27Å; K121-L125 VanDerWaalsContact O-N 3.1Å; D122-L125 WeakPolarHBondContact O-CA 3.48Å; D122-L125 WeakPolarHBondContact O-CB 3.19Å; D122-L125 PolarHBondContact O-N 3.38Å; L125-H127 VanDerWaalsContact C-N 3.25Å; L125-H127 PolarHBondContact O-N 3.02Å; L125-A128 PolarHBondContact O-N 2.98Å; L125-A128 VanDerWaalsContact O-N 3.07Å; L125-H129 PolarHBondContact O-N 3.15Å
126	C	98.3	Very high	97.7	Very high	11 Å²	11	71.1 Å²	71.1	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-55.5	-42.2	173.9	-72.1	0	0	0	0	112.3	C33 D122 H129 M130 T131 C132	C33-C126 HydrophobicContact CB-CB 3.6Å; C33-C126 WeakPolarHBondContact CB-SG 3.48Å; C33-C126 WeakPolarHBondContact SG-CB 3.07Å; C33-C126 CovalentContact SG-SG 2.03Å; C33-C126 PolarHBondContact SG-SG 3.35Å; D122-C126 PolarHBondContact O-N 3.07Å; C126-H129 CarbonylContact O-C 3.54Å; C126-H129 PolarHBondContact O-N 3.03Å; C126-M130 PolarHBondContact O-N 3.32Å; C126-T131 VanDerWaalsContact CA-OG1 3.29Å; C126-T131 WeakPolarHBondContact CA-OG1 3.34Å; C126-T131 WeakPolarHBondContact CB-OG1 3.47Å; C126-T131 PolarHBondContact O-N 2.88Å; C126-T131 PolarHBondContact O-OG1 3.32Å; C126-C132 HydrophobicContact CB-CB 4.01Å; C126-C132 PolarHBondContact O-N 3.2Å
127	H	97.3	Very high	97.7	Very high	77 Å²	77	73.2 Å²	73.2	36%	0.356	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-41.8	175.7	-175.4	72	0	0	0	113.2	R84 L123 R124 L125 H129 M130 C132	R84-H127 PolarHBondContact NH1-CD2 3.1Å; R84-H127 PolarHBondContact NH1-ND1 3.26Å; R84-H127 PolarHBondContact NH1-NE2 3.06Å; L123-H127 PolarHBondContact O-N 2.87Å; L123-H127 VanDerWaalsContact O-N 3.07Å; R124-H127 PolarHBondContact O-N 2.91Å; L125-H127 VanDerWaalsContact C-N 3.25Å; L125-H127 PolarHBondContact O-N 3.02Å; H127-H129 PolarHBondContact O-N 3.01Å; H127-M130 PolarHBondContact O-N 3.44Å; H127-M130 VanDerWaalsContact O-N 3.11Å; H127-C132 HydrophobicContact CB-CB 3.98Å; H127-C132 PolarHBondContact ND1-O 2.93Å
128	A	97.9	Very high	97.7	Very high	69 Å²	69	70 Å²	70	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-63.3	-32.2	175.8	0	0	0	0	0	112.3	R124 L125 M130	R124-A128 PolarHBondContact O-N 3.5Å; L125-A128 PolarHBondContact O-N 2.98Å; L125-A128 VanDerWaalsContact O-N 3.07Å; A128-M130 VanDerWaalsContact C-N 3.27Å; A128-M130 PolarHBondContact O-N 3.37Å
129	H	98	Very high	97.8	Very high	138 Å²	138	70.3 Å²	70.3	64%	0.639	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	9.5	175.7	-62.9	171.1	0	0	0	113.8	L125 C126 H127 T131	L125-H129 PolarHBondContact O-N 3.15Å; C126-H129 CarbonylContact O-C 3.54Å; C126-H129 PolarHBondContact O-N 3.03Å; H127-H129 PolarHBondContact O-N 3.01Å; H129-T131 HydrophobicContact CB-CG2 4.47Å; H129-T131 PolarHBondContact O-N 3.2Å; H129-T131 VanDerWaalsContact O-N 3.14Å
130	M	97.3	Very high	97.8	Very high	165 Å²	165	76.7 Å²	76.7	81%	0.813	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	20.9	-179.2	-53.4	-62.4	179.7	0	0	114.5	C126 H127 A128	C126-M130 PolarHBondContact O-N 3.32Å; H127-M130 PolarHBondContact O-N 3.44Å; H127-M130 VanDerWaalsContact O-N 3.11Å; A128-M130 VanDerWaalsContact C-N 3.27Å; A128-M130 PolarHBondContact O-N 3.37Å
131	T	97.8	Very high	97.8	Very high	46 Å²	46	76.3 Å²	76.3	28%	0.282	38%	0.376	S	S	.	.			trans	-97.2	8.3	175.2	61.3	0	0	0	0	113.1	S32 C126 H129	S32-T131 WeakPolarHBondContact O-CB 3.31Å; C126-T131 VanDerWaalsContact CA-OG1 3.29Å; C126-T131 WeakPolarHBondContact CA-OG1 3.34Å; C126-T131 WeakPolarHBondContact CB-OG1 3.47Å; C126-T131 PolarHBondContact O-N 2.88Å; C126-T131 PolarHBondContact O-OG1 3.32Å; H129-T131 HydrophobicContact CB-CG2 4.47Å; H129-T131 PolarHBondContact O-N 3.2Å; H129-T131 VanDerWaalsContact O-N 3.14Å
132	C	97.8	Very high	97.9	Very high	4 Å²	4	72 Å²	72	3%	0.027	36%	0.356	C	S	.	.			trans	-128.4	73.7	177.1	-159.2	0	0	0	0	110	C80 C126 H127	C80-C132 HydrophobicContact CB-CB 3.97Å; C80-C132 WeakPolarHBondContact CB-SG 3.39Å; C80-C132 WeakPolarHBondContact SG-CB 3.24Å; C80-C132 CovalentContact SG-SG 2.04Å; C80-C132 PolarHBondContact SG-SG 3.41Å; C126-C132 HydrophobicContact CB-CB 4.01Å; C126-C132 PolarHBondContact O-N 3.2Å; H127-C132 HydrophobicContact CB-CB 3.98Å; H127-C132 PolarHBondContact ND1-O 2.93Å
133	H	95.1	Very high	97.9	Very high	127 Å²	127	71.3 Å²	71.3	59%	0.588	36%	0.361	S	S	*	.			trans	-73.8	145.3	176.8	-178.3	71.4	0	0	0	110.7	C81 G135	C81-H133 WeakPolarHBondContact CB-O 2.96Å; H133-G135 PolarHBondContact CD2-N 2.89Å
134	C	97.3	Very high	97.9	Very high	44 Å²	44	74.7 Å²	74.7	30%	0.297	38%	0.377	S	S	.	.			trans	-110.9	91.5	174.9	-73.7	0	0	0	0	109.3	C81 M139	C81-C134 HydrophobicContact CB-CB 3.89Å; C81-C134 WeakPolarHBondContact CB-SG 3.34Å; C81-C134 WeakPolarHBondContact SG-CA 3.29Å; C81-C134 WeakPolarHBondContact SG-CB 3.43Å; C81-C134 CovalentContact SG-SG 2.04Å; C81-C134 PolarHBondContact SG-SG 3.18Å; C134-M139 HydrophobicContact CB-SD 4.39Å
135	G	96.9	Very high	97.9	Very high	14 Å²	14	66 Å²	66	14%	0.144	34%	0.344	C	S	.	.			trans	-81.5	176.5	173.1	0	0	0	0	0	112.5	D78 H133 E137 A138 M139	D78-G135 WeakPolarHBondContact OD1-CA 3.48Å; D78-G135 PolarHBondContact OD1-N 3.23Å; H133-G135 PolarHBondContact CD2-N 2.89Å; G135-E137 VanDerWaalsContact C-N 3.3Å; G135-E137 PolarHBondContact O-N 3.42Å; G135-A138 PolarHBondContact O-N 2.91Å; G135-M139 WeakPolarHBondContact O-CG 3.37Å; G135-M139 PolarHBondContact O-N 3.32Å
136	E	98	Very high	98	Very high	167 Å²	167	62.9 Å²	62.9	78%	0.78	33%	0.328	S	S	*	.	H	α-helix	trans	-61.8	-37.3	-178.2	-172.1	-178.5	177.2	0	0	112.4	M139 K140	E136-M139 PolarHBondContact O-N 3.31Å; E136-K140 VanDerWaalsContact O-CB 3.26Å; E136-K140 WeakPolarHBondContact O-CB 3.12Å; E136-K140 PolarHBondContact O-N 3.41Å
137	E	98.2	Very high	98	Very high	45 Å²	45	65.1 Å²	65.1	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-46.5	-178.9	-172.1	-176.9	158.3	0	0	111.8	T74 K75 G135 M139 K140 K141	T74-E137 WeakPolarHBondContact CA-OE1 3.29Å; K75-E137 WeakPolarHBondContact CD-OE2 3.37Å; K75-E137 VanDerWaalsContact CE-OE2 3.23Å; K75-E137 WeakPolarHBondContact CE-OE2 3.23Å; K75-E137 WeakPolarHBondContact CG-OE2 3.44Å; K75-E137 PolarHBondContact N-OE1 3.44Å; K75-E137 IonicContact NZ-OE2 2.75Å; G135-E137 VanDerWaalsContact C-N 3.3Å; G135-E137 PolarHBondContact O-N 3.42Å; E137-M139 VanDerWaalsContact C-N 3.32Å; E137-M139 PolarHBondContact O-N 3.01Å; E137-K140 PolarHBondContact O-N 3.37Å; E137-K141 HydrophobicContact CG-CD 4.25Å; E137-K141 WeakPolarHBondContact O-CB 3.34Å; E137-K141 PolarHBondContact O-N 2.81Å; E137-K141 IonicContact OE1-NZ 2.68Å; E137-K141 PolarHBondContact OE1-NZ 3.23Å
138	A	98.3	Very high	98	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-46.9	175.8	0	0	0	0	0	111.2	D78 C81 L82 G135 Y142	D78-A138 HydrophobicContact CB-CB 3.86Å; C81-A138 HydrophobicContact CB-CB 3.88Å; L82-A138 HydrophobicContact CB-CB 4.36Å; G135-A138 PolarHBondContact O-N 2.91Å; A138-Y142 VanDerWaalsContact O-CB 3.29Å; A138-Y142 WeakPolarHBondContact O-CB 3.1Å; A138-Y142 PolarHBondContact O-N 3.11Å
139	M	98.5	Very high	98.1	Very high	86 Å²	86	59.9 Å²	59.9	42%	0.424	31%	0.307	S	S	.	.	H	α-helix	trans	-69.4	-37.6	-177.1	-66	-53.9	-59.3	0	0	112.3	C134 G135 E136 E137 G143	C134-M139 HydrophobicContact CB-SD 4.39Å; G135-M139 WeakPolarHBondContact O-CG 3.37Å; G135-M139 PolarHBondContact O-N 3.32Å; E136-M139 PolarHBondContact O-N 3.31Å; E137-M139 VanDerWaalsContact C-N 3.32Å; E137-M139 PolarHBondContact O-N 3.01Å; M139-G143 PolarHBondContact O-N 3.03Å
140	K	98.6	Very high	98.1	Very high	135 Å²	135	58.4 Å²	58.4	59%	0.587	30%	0.3	S	S	*	.	H	α-helix	trans	-64.7	-50.7	175.9	-177.5	178.2	178.8	179.1	0	111.4	E136 E137 Y142 G143 Q144	E136-K140 VanDerWaalsContact O-CB 3.26Å; E136-K140 WeakPolarHBondContact O-CB 3.12Å; E136-K140 PolarHBondContact O-N 3.41Å; E137-K140 PolarHBondContact O-N 3.37Å; K140-Y142 PolarHBondContact O-N 3.42Å; K140-G143 PolarHBondContact O-N 3.32Å; K140-Q144 WeakPolarHBondContact O-CG 3.25Å; K140-Q144 PolarHBondContact O-N 3.34Å
141	K	98.7	Very high	98.1	Very high	21 Å²	21	56.7 Å²	56.7	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-44.7	177.8	-76.9	179.1	168	166	0	111.4	E69 D73 T74 L82 E137 G143 Q144 I145	E69-K141 HydrophobicContact CB-CB 4.1Å; E69-K141 HydrophobicContact CB-CG 4.19Å; E69-K141 HydrophobicContact CG-CB 4.21Å; E69-K141 HydrophobicContact CG-CG 4.19Å; D73-K141 VanDerWaalsContact C-NZ 3.31Å; D73-K141 PolarHBondContact O-NZ 2.78Å; T74-K141 VanDerWaalsContact CA-NZ 3.31Å; T74-K141 HydrophobicContact CG2-CD 4.48Å; T74-K141 WeakPolarHBondContact OG1-CD 3.48Å; T74-K141 PolarHBondContact OG1-NZ 2.74Å; L82-K141 HydrophobicContact CD1-CB 4.19Å; L82-K141 HydrophobicContact CD2-CB 4.14Å; L82-K141 HydrophobicContact CD2-CD 4.14Å; E137-K141 HydrophobicContact CG-CD 4.25Å; E137-K141 WeakPolarHBondContact O-CB 3.34Å; E137-K141 PolarHBondContact O-N 2.81Å; E137-K141 IonicContact OE1-NZ 2.68Å; E137-K141 PolarHBondContact OE1-NZ 3.23Å; K141-G143 VanDerWaalsContact C-N 3.33Å; K141-G143 PolarHBondContact O-N 3.48Å; K141-Q144 PolarHBondContact O-N 3.19Å; K141-I145 WeakPolarHBondContact O-CG1 3.35Å; K141-I145 PolarHBondContact O-N 2.87Å
142	Y	98.8	Very high	98.1	Very high	33 Å²	33	55.4 Å²	55.4	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-41.4	174.7	176.9	-115.7	0	0	0	112.3	H85 L89 A138 K140 Q144 I145 L146	H85-Y142 HydrophobicContact CB-CD1 4.01Å; H85-Y142 HydrophobicContact CB-CD2 3.59Å; H85-Y142 HydrophobicContact CB-CE1 4.14Å; H85-Y142 HydrophobicContact CB-CE2 3.74Å; H85-Y142 HydrophobicContact CB-CG 3.72Å; H85-Y142 AromaticContact ND1-CD1 3.62Å; H85-Y142 AromaticContact ND1-CE1 3.4Å; H85-Y142 WeakPolarHBondContact ND1-CE1 3.19Å; H85-Y142 AromaticContact ND1-CZ 3.87Å; L89-Y142 HydrophobicContact CB-CE2 4.43Å; A138-Y142 VanDerWaalsContact O-CB 3.29Å; A138-Y142 WeakPolarHBondContact O-CB 3.1Å; A138-Y142 PolarHBondContact O-N 3.11Å; K140-Y142 PolarHBondContact O-N 3.42Å; Y142-Q144 VanDerWaalsContact C-N 3.32Å; Y142-Q144 PolarHBondContact O-N 3.19Å; Y142-I145 PolarHBondContact O-N 2.72Å; Y142-L146 HydrophobicContact CE1-CD2 4.26Å; Y142-L146 WeakPolarHBondContact O-CB 3.39Å; Y142-L146 PolarHBondContact O-N 3.22Å
143	G	98.7	Very high	98.1	Very high	35 Å²	35	62.3 Å²	62.3	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-60.1	-40.3	176	0	0	0	0	0	112.9	M139 K140 K141 L146 S147	M139-G143 PolarHBondContact O-N 3.03Å; K140-G143 PolarHBondContact O-N 3.32Å; K141-G143 VanDerWaalsContact C-N 3.33Å; K141-G143 PolarHBondContact O-N 3.48Å; G143-L146 PolarHBondContact O-N 3.47Å; G143-S147 WeakPolarHBondContact O-CB 3.21Å; G143-S147 PolarHBondContact O-N 3.4Å
144	Q	98.6	Very high	98.2	Very high	71 Å²	71	61 Å²	61	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-49.3	174.8	-69	171.8	-60.6	0	0	111.4	E69 K140 K141 Y142 L146 S147 H148	E69-Q144 HydrophobicContact CG-CB 4.14Å; K140-Q144 WeakPolarHBondContact O-CG 3.25Å; K140-Q144 PolarHBondContact O-N 3.34Å; K141-Q144 PolarHBondContact O-N 3.19Å; Y142-Q144 VanDerWaalsContact C-N 3.32Å; Y142-Q144 PolarHBondContact O-N 3.19Å; Q144-L146 VanDerWaalsContact C-N 3.31Å; Q144-L146 PolarHBondContact O-N 3.09Å; Q144-S147 PolarHBondContact O-N 3.24Å; Q144-S147 VanDerWaalsContact O-N 3.14Å; Q144-S147 PolarHBondContact O-OG 3.31Å; Q144-H148 PolarHBondContact O-CD2 2.85Å; Q144-H148 VanDerWaalsContact O-CD2 3.27Å; Q144-H148 PolarHBondContact O-N 3.46Å
145	I	98.8	Very high	98.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-44.7	176.9	-66.2	172.4	0	0	0	110.9	I64 L65 E69 L82 L86 L89 K141 Y142 S147 H148 F149 W171	I64-I145 HydrophobicContact CG2-CG2 3.96Å; L65-I145 HydrophobicContact CD2-CD1 4.21Å; L65-I145 HydrophobicContact CD2-CG2 3.84Å; E69-I145 HydrophobicContact CB-CD1 3.76Å; E69-I145 HydrophobicContact CB-CG1 3.87Å; E69-I145 HydrophobicContact CG-CD1 4.5Å; E69-I145 HydrophobicContact CG-CG1 4.1Å; L82-I145 HydrophobicContact CD1-CD1 4.47Å; L86-I145 HydrophobicContact CD2-CD1 3.82Å; L86-I145 HydrophobicContact CD2-CG2 3.93Å; L89-I145 HydrophobicContact CD2-CG2 4.4Å; K141-I145 WeakPolarHBondContact O-CG1 3.35Å; K141-I145 PolarHBondContact O-N 2.87Å; Y142-I145 PolarHBondContact O-N 2.72Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 3.42Å; I145-H148 PolarHBondContact O-N 3.12Å; I145-F149 PolarHBondContact O-N 3.14Å; I145-W171 HydrophobicContact CD1-CH2 4.3Å; I145-W171 HydrophobicContact CD1-CZ3 4.03Å
146	L	98.8	Very high	98.3	Very high	33 Å²	33	62.3 Å²	62.3	17%	0.173	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-40.1	177.9	-175.9	62.4	0	0	0	111.4	L89 Y142 G143 Q144 H148 F149 E150	L89-L146 HydrophobicContact CD1-CD1 4.09Å; Y142-L146 HydrophobicContact CE1-CD2 4.26Å; Y142-L146 WeakPolarHBondContact O-CB 3.39Å; Y142-L146 PolarHBondContact O-N 3.22Å; G143-L146 PolarHBondContact O-N 3.47Å; Q144-L146 VanDerWaalsContact C-N 3.31Å; Q144-L146 PolarHBondContact O-N 3.09Å; L146-H148 PolarHBondContact O-N 3.05Å; L146-F149 WeakPolarHBondContact O-CB 3.5Å; L146-F149 PolarHBondContact O-N 2.03Å; L146-E150 HydrophobicContact CD1-CG 4.15Å; L146-E150 HydrophobicContact CG-CG 4.33Å; L146-E150 WeakPolarHBondContact O-CB 3.4Å; L146-E150 WeakPolarHBondContact O-CG 3.33Å; L146-E150 PolarHBondContact O-N 2.8Å
147	S	98.5	Very high	98.3	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-40.6	176.9	73.3	0	0	0	0	112.5	G143 Q144 I145 F149 E150 E151	G143-S147 WeakPolarHBondContact O-CB 3.21Å; G143-S147 PolarHBondContact O-N 3.4Å; Q144-S147 PolarHBondContact O-N 3.24Å; Q144-S147 VanDerWaalsContact O-N 3.14Å; Q144-S147 PolarHBondContact O-OG 3.31Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 3.42Å; S147-F149 VanDerWaalsContact C-N 3.32Å; S147-F149 PolarHBondContact O-N 2.95Å; S147-E150 PolarHBondContact O-N 2.71Å; S147-E151 WeakPolarHBondContact O-CB 3.29Å; S147-E151 PolarHBondContact O-N 2.91Å
148	H	98.3	Very high	98.3	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.093	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-33.5	175.3	-61.6	-34.3	0	0	0	112.5	I64 R66 Q144 I145 L146	I64-H148 HydrophobicContact CG1-CB 4.48Å; R66-H148 WeakPolarHBondContact CD-NE2 3.5Å; R66-H148 PolarHBondContact NE-NE2 3.01Å; Q144-H148 PolarHBondContact O-CD2 2.85Å; Q144-H148 VanDerWaalsContact O-CD2 3.27Å; Q144-H148 PolarHBondContact O-N 3.46Å; I145-H148 PolarHBondContact O-N 3.12Å; L146-H148 PolarHBondContact O-N 3.05Å
149	F	98.6	Very high	98.4	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-42.3	173	-177.9	-85.2	0	0	0	111.5	I64 L89 R93 V94 I145 L146 S147 A157 V158 A161	I64-F149 HydrophobicContact CD1-CB 4.45Å; I64-F149 HydrophobicContact CD1-CD2 3.99Å; I64-F149 HydrophobicContact CG2-CB 4.23Å; L89-F149 HydrophobicContact CD1-CD1 4.29Å; L89-F149 HydrophobicContact CD1-CD2 4.48Å; L89-F149 HydrophobicContact CD1-CE1 4.42Å; L89-F149 HydrophobicContact CD1-CG 4.34Å; R93-F149 HydrophobicContact CB-CE1 4.37Å; R93-F149 HydrophobicContact CB-CZ 4.17Å; V94-F149 HydrophobicContact CG2-CE2 3.94Å; V94-F149 HydrophobicContact CG2-CZ 4.48Å; I145-F149 PolarHBondContact O-N 3.14Å; L146-F149 WeakPolarHBondContact O-CB 3.5Å; L146-F149 PolarHBondContact O-N 2.03Å; S147-F149 VanDerWaalsContact C-N 3.32Å; S147-F149 PolarHBondContact O-N 2.95Å; F149-A157 HydrophobicContact CD1-CB 4.23Å; F149-A157 HydrophobicContact CD2-CB 4.05Å; F149-A157 HydrophobicContact CE1-CB 4Å; F149-A157 HydrophobicContact CE2-CB 3.79Å; F149-A157 WeakPolarHBondContact CE2-O 3.43Å; F149-A157 HydrophobicContact CG-CB 4.25Å; F149-A157 HydrophobicContact CZ-CB 3.76Å; F149-A157 VanDerWaalsContact O-CB 3.24Å; F149-A157 WeakPolarHBondContact O-CB 3.35Å; F149-V158 HydrophobicContact CZ-CG2 4.19Å; F149-A161 HydrophobicContact CD2-CB 3.99Å; F149-A161 HydrophobicContact CE2-CB 3.85Å
150	E	98.1	Very high	98.4	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	26%	0.257	S	S	.	.	H	α-helix	trans	-80	-14.9	-176.7	-69.4	179.5	162.4	0	0	113.9	R93 L146 S147 L152	R93-E150 IonicContact CZ-OE1 3.19Å; R93-E150 IonicContact NH1-OE1 2.81Å; R93-E150 PolarHBondContact NH1-OE1 3.06Å; R93-E150 IonicContact NH2-OE1 3.84Å; L146-E150 HydrophobicContact CD1-CG 4.15Å; L146-E150 HydrophobicContact CG-CG 4.33Å; L146-E150 WeakPolarHBondContact O-CB 3.4Å; L146-E150 WeakPolarHBondContact O-CG 3.33Å; L146-E150 PolarHBondContact O-N 2.8Å; S147-E150 PolarHBondContact O-N 2.71Å; E150-L152 PolarHBondContact O-N 2.78Å
151	E	97.1	Very high	98.4	Very high	129 Å²	129	42.8 Å²	42.8	60%	0.603	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24	172.4	-175.3	175.2	-176.8	0	0	112.7	S147	S147-E151 WeakPolarHBondContact O-CB 3.29Å; S147-E151 PolarHBondContact O-N 2.91Å
152	L	98.1	Very high	98.4	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.094	23%	0.225	C	C	.	.	S	Bend	trans	-93.2	150.7	-177.3	-67.1	165.3	0	0	0	111.8	N59 I62 I64 E150 A157 K160	N59-L152 HydrophobicContact CB-CD2 4.14Å; I62-L152 HydrophobicContact CB-CD2 4.48Å; I62-L152 HydrophobicContact CD1-CD2 3.62Å; I62-L152 HydrophobicContact CG2-CD1 4.15Å; I62-L152 HydrophobicContact CG2-CD2 4.29Å; I62-L152 HydrophobicContact CG2-CG 4.38Å; I64-L152 HydrophobicContact CD1-CD1 3.97Å; I64-L152 HydrophobicContact CG1-CD1 4.17Å; E150-L152 PolarHBondContact O-N 2.78Å; L152-A157 HydrophobicContact CB-CB 3.83Å; L152-K160 HydrophobicContact CD1-CB 4.37Å; L152-K160 HydrophobicContact CD1-CD 3.58Å
153	E	97.8	Very high	98.4	Very high	150 Å²	150	40.4 Å²	40.4	70%	0.701	22%	0.221	S	C	*	.			trans	-54.2	143	169.2	-74.1	-61.5	148.2	0	0	111.1	Q155 A156 A157	E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-Q155 PolarHBondContact O-N 3.37Å; E153-Q155 VanDerWaalsContact O-N 3.09Å; E153-A156 HydrophobicContact CB-CB 4.26Å; E153-A156 WeakPolarHBondContact O-CA 3.36Å; E153-A156 WeakPolarHBondContact O-CB 3.47Å; E153-A156 PolarHBondContact O-N 3.27Å; E153-A157 PolarHBondContact O-N 3.48Å
154	P	97.7	Very high	98.4	Very high	98 Å²	98	39.4 Å²	39.4	64%	0.636	21%	0.207	S	C	*	.	H	α-helix	trans	-51.6	-45.7	-165.4	-30.4	34.9	0	0	0	114.9	V158	P154-V158 WeakPolarHBondContact O-CG2 3.39Å; P154-V158 PolarHBondContact O-N 2.86Å
155	Q	97.7	Very high	98.4	Very high	61 Å²	61	36 Å²	36	29%	0.285	19%	0.191	S	C	.	.	H	α-helix	trans	-73.6	-34.4	179.5	-168.5	58.1	36.8	0	0	112.3	N97 E153 V158 V159	N97-Q155 PolarHBondContact O-OE1 2.86Å; E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-Q155 PolarHBondContact O-N 3.37Å; E153-Q155 VanDerWaalsContact O-N 3.09Å; Q155-V158 PolarHBondContact O-N 3.01Å; Q155-V159 VanDerWaalsContact O-CG2 3.27Å; Q155-V159 WeakPolarHBondContact O-CG2 3.4Å; Q155-V159 PolarHBondContact O-N 2.97Å
156	A	98.3	Very high	98.3	Very high	26 Å²	26	37.9 Å²	37.9	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-41.3	177	0	0	0	0	0	111.2	E153 V158 V159 K160	E153-A156 HydrophobicContact CB-CB 4.26Å; E153-A156 WeakPolarHBondContact O-CA 3.36Å; E153-A156 WeakPolarHBondContact O-CB 3.47Å; E153-A156 PolarHBondContact O-N 3.27Å; A156-V158 VanDerWaalsContact C-N 3.33Å; A156-V158 PolarHBondContact O-N 3.39Å; A156-V159 PolarHBondContact O-N 3.43Å; A156-K160 WeakPolarHBondContact O-CB 3.45Å; A156-K160 PolarHBondContact O-N 3.16Å
157	A	98.6	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-45.8	174.6	0	0	0	0	0	111.8	F149 L152 E153 A161	F149-A157 HydrophobicContact CD1-CB 4.23Å; F149-A157 HydrophobicContact CD2-CB 4.05Å; F149-A157 HydrophobicContact CE1-CB 4Å; F149-A157 HydrophobicContact CE2-CB 3.79Å; F149-A157 WeakPolarHBondContact CE2-O 3.43Å; F149-A157 HydrophobicContact CG-CB 4.25Å; F149-A157 HydrophobicContact CZ-CB 3.76Å; F149-A157 VanDerWaalsContact O-CB 3.24Å; F149-A157 WeakPolarHBondContact O-CB 3.35Å; L152-A157 HydrophobicContact CB-CB 3.83Å; E153-A157 PolarHBondContact O-N 3.48Å; A157-A161 VanDerWaalsContact O-CB 3.27Å; A157-A161 WeakPolarHBondContact O-CB 2.98Å; A157-A161 PolarHBondContact O-N 2.85Å
158	V	98.7	Very high	98.3	Very high	4 Å²	4	35 Å²	35	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-46.1	179.5	172.3	0	0	0	0	111.9	R93 V94 N97 Y98 F149 P154 Q155 A156 L162	R93-V158 VanDerWaalsContact O-CG2 3.27Å; R93-V158 WeakPolarHBondContact O-CG2 3.26Å; V94-V158 HydrophobicContact CG1-CG1 4.25Å; V94-V158 VanDerWaalsContact O-CG1 3.32Å; V94-V158 WeakPolarHBondContact O-CG1 3.07Å; N97-V158 HydrophobicContact CB-CG1 4.37Å; N97-V158 HydrophobicContact CB-CG2 3.93Å; Y98-V158 HydrophobicContact CD2-CG1 4.16Å; Y98-V158 HydrophobicContact CG-CG1 4.49Å; F149-V158 HydrophobicContact CZ-CG2 4.19Å; P154-V158 WeakPolarHBondContact O-CG2 3.39Å; P154-V158 PolarHBondContact O-N 2.86Å; Q155-V158 PolarHBondContact O-N 3.01Å; A156-V158 VanDerWaalsContact C-N 3.33Å; A156-V158 PolarHBondContact O-N 3.39Å; V158-L162 WeakPolarHBondContact O-CB 3.34Å; V158-L162 PolarHBondContact O-N 2.69Å
159	V	98.7	Very high	98.2	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-47.4	177.8	170.4	0	0	0	0	110.3	K56 D57 Y98 Q155 A156 L162 G163	K56-V159 HydrophobicContact CB-CG1 3.78Å; D57-V159 HydrophobicContact CB-CG1 4.26Å; Y98-V159 HydrophobicContact CD2-CG2 4.21Å; Y98-V159 HydrophobicContact CE2-CB 4.42Å; Y98-V159 HydrophobicContact CE2-CG2 3.84Å; Q155-V159 VanDerWaalsContact O-CG2 3.27Å; Q155-V159 WeakPolarHBondContact O-CG2 3.4Å; Q155-V159 PolarHBondContact O-N 2.97Å; A156-V159 PolarHBondContact O-N 3.43Å; V159-L162 PolarHBondContact O-N 3.41Å; V159-G163 PolarHBondContact O-N 2.7Å
160	K	98.8	Very high	98.1	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-51	178.6	179.4	174	-66.5	-65.2	0	112.2	D57 N59 I62 I64 L152 A156 L162 G163 E164	D57-K160 VanDerWaalsContact CG-NZ 3.27Å; D57-K160 WeakPolarHBondContact OD1-CE 3.19Å; D57-K160 IonicContact OD1-NZ 3.9Å; D57-K160 PolarHBondContact OD1-NZ 2.87Å; D57-K160 VanDerWaalsContact OD1-NZ 3.08Å; D57-K160 IonicContact OD2-NZ 3.78Å; D57-K160 PolarHBondContact OD2-NZ 2.95Å; N59-K160 WeakPolarHBondContact O-CE 3.35Å; N59-K160 PolarHBondContact O-NZ 3.36Å; I62-K160 HydrophobicContact CG2-CD 4.39Å; I62-K160 WeakPolarHBondContact O-CD 3.39Å; I62-K160 WeakPolarHBondContact O-CE 3.43Å; I62-K160 PolarHBondContact O-NZ 3.35Å; I64-K160 HydrophobicContact CD1-CB 3.97Å; I64-K160 HydrophobicContact CD1-CD 3.74Å; I64-K160 HydrophobicContact CD1-CG 3.71Å; I64-K160 HydrophobicContact CG1-CD 3.68Å; I64-K160 HydrophobicContact CG1-CG 4.07Å; L152-K160 HydrophobicContact CD1-CB 4.37Å; L152-K160 HydrophobicContact CD1-CD 3.58Å; A156-K160 WeakPolarHBondContact O-CB 3.45Å; A156-K160 PolarHBondContact O-N 3.16Å; K160-L162 VanDerWaalsContact C-N 3.27Å; K160-L162 PolarHBondContact O-N 2.94Å; K160-G163 CarbonylContact O-C 3.59Å; K160-G163 WeakPolarHBondContact O-CA 3.37Å; K160-G163 PolarHBondContact O-N 2.73Å; K160-E164 HydrophobicContact CG-CG 4.38Å; K160-E164 WeakPolarHBondContact CG-OE1 3.34Å; K160-E164 WeakPolarHBondContact O-CG 3.41Å; K160-E164 PolarHBondContact O-N 3.4Å
161	A	98.8	Very high	98	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-39.3	-179.5	0	0	0	0	0	112	I64 Y90 V94 F149 A157 E164	I64-A161 HydrophobicContact CD1-CB 4.03Å; Y90-A161 VanDerWaalsContact CE1-O 3.23Å; Y90-A161 WeakPolarHBondContact CE1-O 3.4Å; Y90-A161 PolarHBondContact OH-O 3.26Å; V94-A161 HydrophobicContact CG1-CB 4.21Å; V94-A161 HydrophobicContact CG2-CB 3.72Å; F149-A161 HydrophobicContact CD2-CB 3.99Å; F149-A161 HydrophobicContact CE2-CB 3.85Å; A157-A161 VanDerWaalsContact O-CB 3.27Å; A157-A161 WeakPolarHBondContact O-CB 2.98Å; A157-A161 PolarHBondContact O-N 2.85Å; A161-E164 PolarHBondContact O-N 2.81Å
162	L	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.4	-38.2	173.6	-172.8	62.8	0	0	0	111.8	F46 V53 V94 F95 Y98 I109 V158 V159 K160 E164 L165	F46-L162 WeakPolarHBondContact CE2-O 3.31Å; F46-L162 VanDerWaalsContact CZ-O 3.3Å; F46-L162 WeakPolarHBondContact CZ-O 3.4Å; V53-L162 HydrophobicContact CG1-CB 3.97Å; V53-L162 HydrophobicContact CG1-CD2 4.02Å; V53-L162 HydrophobicContact CG1-CG 3.9Å; V53-L162 HydrophobicContact CG2-CD2 3.85Å; V53-L162 HydrophobicContact CG2-CG 4.3Å; V94-L162 HydrophobicContact CG1-CB 3.9Å; F95-L162 HydrophobicContact CD1-CD1 4Å; F95-L162 HydrophobicContact CE1-CD1 3.76Å; Y98-L162 HydrophobicContact CD1-CD2 4.26Å; Y98-L162 HydrophobicContact CD2-CB 4.4Å; Y98-L162 HydrophobicContact CD2-CD2 3.44Å; Y98-L162 VanDerWaalsContact CD2-CD2 3.44Å; Y98-L162 HydrophobicContact CE1-CD2 4.43Å; Y98-L162 HydrophobicContact CE2-CD2 3.7Å; Y98-L162 HydrophobicContact CG-CD2 3.74Å; I109-L162 HydrophobicContact CD1-CD2 3.83Å; I109-L162 HydrophobicContact CG1-CD2 4.07Å; V158-L162 WeakPolarHBondContact O-CB 3.34Å; V158-L162 PolarHBondContact O-N 2.69Å; V159-L162 PolarHBondContact O-N 3.41Å; K160-L162 VanDerWaalsContact C-N 3.27Å; K160-L162 PolarHBondContact O-N 2.94Å; L162-E164 VanDerWaalsContact C-N 3.26Å; L162-E164 PolarHBondContact O-N 3.13Å; L162-L165 HydrophobicContact CD1-CD2 4.36Å; L162-L165 WeakPolarHBondContact O-CB 3.46Å; L162-L165 PolarHBondContact O-N 3.26Å
163	G	98.6	Very high	97.6	Very high	4 Å²	4	28 Å²	28	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-27.4	176.2	0	0	0	0	0	113.9	Q54 V159 K160 L165	Q54-G163 PolarHBondContact NE2-O 3.27Å; V159-G163 PolarHBondContact O-N 2.7Å; K160-G163 CarbonylContact O-C 3.59Å; K160-G163 WeakPolarHBondContact O-CA 3.37Å; K160-G163 PolarHBondContact O-N 2.73Å; G163-L165 VanDerWaalsContact C-N 3.32Å
164	E	98.7	Very high	97.2	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.065	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	11.2	175.9	-66.4	-175.4	-168.2	0	0	113.3	R63 I64 L65 K160 A161 L162 D166 I167 L168	R63-E164 WeakPolarHBondContact CA-OE1 3.49Å; I64-E164 PolarHBondContact N-OE1 3.25Å; I64-E164 PolarHBondContact N-OE2 2.97Å; L65-E164 WeakPolarHBondContact CB-OE2 2.98Å; L65-E164 HydrophobicContact CD1-CB 4.2Å; L65-E164 PolarHBondContact N-OE2 3.33Å; K160-E164 HydrophobicContact CG-CG 4.38Å; K160-E164 WeakPolarHBondContact CG-OE1 3.34Å; K160-E164 WeakPolarHBondContact O-CG 3.41Å; K160-E164 PolarHBondContact O-N 3.4Å; A161-E164 PolarHBondContact O-N 2.81Å; L162-E164 VanDerWaalsContact C-N 3.26Å; L162-E164 PolarHBondContact O-N 3.13Å; E164-D166 PolarHBondContact O-N 2.8Å; E164-I167 HydrophobicContact CB-CD1 3.91Å; E164-I167 HydrophobicContact CG-CD1 3.92Å; E164-I167 WeakPolarHBondContact O-CB 3.45Å; E164-I167 PolarHBondContact O-N 3.02Å; E164-L168 PolarHBondContact O-N 3.06Å
165	L	98.5	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-33.2	-178.9	-173.1	61.3	0	0	0	112.3	F46 Y90 L112 F116 L162 G163 I167 L168 L169	F46-L165 HydrophobicContact CB-CD2 4.09Å; F46-L165 HydrophobicContact CD1-CB 4.19Å; F46-L165 HydrophobicContact CD2-CB 4.07Å; F46-L165 HydrophobicContact CD2-CD2 3.66Å; F46-L165 HydrophobicContact CD2-CG 4.34Å; F46-L165 HydrophobicContact CE1-CB 3.96Å; F46-L165 HydrophobicContact CE2-CB 3.83Å; F46-L165 HydrophobicContact CE2-CD2 4.22Å; F46-L165 HydrophobicContact CG-CB 4.24Å; F46-L165 HydrophobicContact CG-CD2 3.83Å; F46-L165 HydrophobicContact CG-CG 4.29Å; F46-L165 HydrophobicContact CZ-CB 3.78Å; Y90-L165 HydrophobicContact CD1-CD1 4.26Å; Y90-L165 HydrophobicContact CE1-CD1 3.87Å; L112-L165 HydrophobicContact CD1-CD2 3.99Å; L112-L165 HydrophobicContact CD2-CD2 4.22Å; F116-L165 HydrophobicContact CE1-CD1 4.15Å; F116-L165 HydrophobicContact CE2-CD1 4.03Å; F116-L165 HydrophobicContact CZ-CD1 3.41Å; F116-L165 VanDerWaalsContact CZ-CD1 3.41Å; L162-L165 HydrophobicContact CD1-CD2 4.36Å; L162-L165 WeakPolarHBondContact O-CB 3.46Å; L162-L165 PolarHBondContact O-N 3.26Å; G163-L165 VanDerWaalsContact C-N 3.32Å; L165-I167 VanDerWaalsContact C-N 3.27Å; L165-I167 PolarHBondContact O-N 3.37Å; L165-L168 HydrophobicContact CD1-CB 4.49Å; L165-L168 HydrophobicContact CD1-CD2 4.24Å; L165-L168 PolarHBondContact O-N 3.14Å; L165-L169 HydrophobicContact CG-CD1 4.23Å; L165-L169 HydrophobicContact CG-CG 4.31Å; L165-L169 VanDerWaalsContact O-CG 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.08Å
166	D	97.9	Very high	94.7	Very high	39 Å²	39	25.7 Å²	25.7	21%	0.209	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-38.9	172.6	54.8	-11.6	0	0	0	112.8	F46 R50 E164 L169 Q170	F46-D166 HydrophobicContact CD1-CB 4.41Å; F46-D166 HydrophobicContact CE1-CB 3.9Å; R50-D166 IonicContact CZ-OD2 2.8Å; R50-D166 IonicContact NE-OD2 2.71Å; R50-D166 PolarHBondContact NE-OD2 3.35Å; R50-D166 IonicContact NH2-OD2 3.21Å; R50-D166 PolarHBondContact NH2-OD2 3.16Å; E164-D166 PolarHBondContact O-N 2.8Å; D166-L169 PolarHBondContact O-N 3.48Å; D166-Q170 WeakPolarHBondContact O-CB 3.48Å; D166-Q170 PolarHBondContact O-N 3.1Å
167	I	98.3	Very high	94.5	Very high	30 Å²	30	25.7 Å²	25.7	15%	0.154	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-46	175.6	-63.6	159.7	0	0	0	110.3	R63 L65 E164 L165 L169 Q170 W171	R63-I167 VanDerWaalsContact NH2-CD1 3.27Å; L65-I167 HydrophobicContact CB-CG2 3.86Å; L65-I167 HydrophobicContact CD1-CB 4.27Å; L65-I167 HydrophobicContact CD1-CG2 4.23Å; E164-I167 HydrophobicContact CB-CD1 3.91Å; E164-I167 HydrophobicContact CG-CD1 3.92Å; E164-I167 WeakPolarHBondContact O-CB 3.45Å; E164-I167 PolarHBondContact O-N 3.02Å; L165-I167 VanDerWaalsContact C-N 3.27Å; L165-I167 PolarHBondContact O-N 3.37Å; I167-L169 PolarHBondContact O-N 3.06Å; I167-Q170 WeakPolarHBondContact O-CB 3.34Å; I167-Q170 PolarHBondContact O-N 3.1Å; I167-W171 HydrophobicContact CG2-CD2 4.4Å; I167-W171 HydrophobicContact CG2-CZ2 3.99Å; I167-W171 PolarHBondContact O-N 3.44Å
168	L	98.1	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-43.5	177.6	179.5	58.6	0	0	0	111.6	L65 L83 L86 Y90 F116 E164 L165 Q170 W171 I172	L65-L168 HydrophobicContact CD1-CB 3.81Å; L83-L168 HydrophobicContact CD1-CD1 4.49Å; L86-L168 HydrophobicContact CB-CD1 4.43Å; L86-L168 HydrophobicContact CD1-CD1 3.91Å; Y90-L168 HydrophobicContact CD2-CD2 3.89Å; Y90-L168 HydrophobicContact CE2-CD2 3.6Å; Y90-L168 HydrophobicContact CG-CD2 4.5Å; F116-L168 HydrophobicContact CE1-CD2 3.74Å; F116-L168 HydrophobicContact CZ-CD2 3.91Å; E164-L168 PolarHBondContact O-N 3.06Å; L165-L168 HydrophobicContact CD1-CB 4.49Å; L165-L168 HydrophobicContact CD1-CD2 4.24Å; L165-L168 PolarHBondContact O-N 3.14Å; L168-Q170 VanDerWaalsContact C-N 3.28Å; L168-Q170 PolarHBondContact O-N 3.14Å; L168-W171 HydrophobicContact CD1-CE3 4.46Å; L168-W171 PolarHBondContact O-N 3.4Å; L168-I172 HydrophobicContact CD1-CD1 4.31Å; L168-I172 HydrophobicContact CD1-CG1 4.49Å; L168-I172 HydrophobicContact CG-CD1 4.11Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L168-I172 PolarHBondContact O-N 3.49Å
169	L	96.9	Very high	94.1	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-34.4	177.5	-61.4	174	0	0	0	111.7	L39 I42 R43 F116 L165 D166 I167 I172 E173	L39-L169 HydrophobicContact CD1-CB 4.32Å; L39-L169 HydrophobicContact CD1-CD2 3.51Å; L39-L169 HydrophobicContact CD1-CG 4.44Å; I42-L169 HydrophobicContact CB-CD2 4.23Å; I42-L169 HydrophobicContact CG2-CD1 3.95Å; I42-L169 HydrophobicContact CG2-CD2 3.48Å; I42-L169 VanDerWaalsContact CG2-CD2 3.48Å; I42-L169 HydrophobicContact CG2-CG 4.36Å; R43-L169 HydrophobicContact CG-CD1 3.91Å; F116-L169 HydrophobicContact CE2-CD2 4.32Å; F116-L169 HydrophobicContact CZ-CD2 4.44Å; L165-L169 HydrophobicContact CG-CD1 4.23Å; L165-L169 HydrophobicContact CG-CG 4.31Å; L165-L169 VanDerWaalsContact O-CG 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.08Å; D166-L169 PolarHBondContact O-N 3.48Å; I167-L169 PolarHBondContact O-N 3.06Å; L169-I172 PolarHBondContact O-N 3.08Å; L169-E173 PolarHBondContact O-N 3.07Å
170	Q	96.5	Very high	93.8	Very high	84 Å²	84	29.2 Å²	29.2	39%	0.393	14%	0.14	S	C	.	.	H	α-helix	trans	-65.3	-45.3	172.8	-171.3	62.6	20.9	0	0	111.3	D166 I167 L168 I172 E173 E174	D166-Q170 WeakPolarHBondContact O-CB 3.48Å; D166-Q170 PolarHBondContact O-N 3.1Å; I167-Q170 WeakPolarHBondContact O-CB 3.34Å; I167-Q170 PolarHBondContact O-N 3.1Å; L168-Q170 VanDerWaalsContact C-N 3.28Å; L168-Q170 PolarHBondContact O-N 3.14Å; Q170-I172 VanDerWaalsContact C-N 3.26Å; Q170-I172 PolarHBondContact O-N 3.46Å; Q170-E173 WeakPolarHBondContact O-CB 3.41Å; Q170-E173 PolarHBondContact O-N 3.47Å; Q170-E173 VanDerWaalsContact O-N 3.12Å; Q170-E174 HydrophobicContact CG-CG 4.35Å; Q170-E174 PolarHBondContact NE2-OE1 3.35Å; Q170-E174 WeakPolarHBondContact O-CG 3.28Å; Q170-E174 PolarHBondContact O-N 3Å
171	W	96.6	Very high	93.5	Very high	8 Å²	8	30.8 Å²	30.8	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-37.9	176.4	-69.3	-1.2	0	0	0	112.8	L65 R66 E69 L71 L86 I145 I167 L168 T175	L65-W171 HydrophobicContact CB-CH2 3.71Å; L65-W171 HydrophobicContact CB-CZ2 3.95Å; L65-W171 HydrophobicContact CB-CZ3 4.3Å; L65-W171 HydrophobicContact CD2-CH2 4.14Å; L65-W171 HydrophobicContact CD2-CZ3 4Å; L65-W171 HydrophobicContact CG-CH2 4.45Å; R66-W171 WeakPolarHBondContact O-CH2 3.02Å; R66-W171 WeakPolarHBondContact O-CZ2 3.48Å; E69-W171 HydrophobicContact CB-CH2 4.42Å; L71-W171 HydrophobicContact CB-CB 4.2Å; L71-W171 HydrophobicContact CD1-CB 4.07Å; L71-W171 HydrophobicContact CG-CB 4.25Å; L86-W171 HydrophobicContact CD1-CE3 4.41Å; L86-W171 HydrophobicContact CD1-CZ3 4.35Å; I145-W171 HydrophobicContact CD1-CH2 4.3Å; I145-W171 HydrophobicContact CD1-CZ3 4.03Å; I167-W171 HydrophobicContact CG2-CD2 4.4Å; I167-W171 HydrophobicContact CG2-CZ2 3.99Å; I167-W171 PolarHBondContact O-N 3.44Å; L168-W171 HydrophobicContact CD1-CE3 4.46Å; L168-W171 PolarHBondContact O-N 3.4Å; W171-T175 WeakPolarHBondContact O-CG2 3.22Å
172	I	94.4	Very high	93.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-39.3	176.8	-67.3	167.3	0	0	0	110.7	L28 L39 L71 L83 L168 L169 Q170 T175	L28-I172 HydrophobicContact CD1-CG2 3.52Å; L28-I172 HydrophobicContact CD2-CG2 3.5Å; L28-I172 VanDerWaalsContact CD2-O 3.29Å; L28-I172 WeakPolarHBondContact CD2-O 3.44Å; L28-I172 HydrophobicContact CG-CG2 4.16Å; L39-I172 HydrophobicContact CD1-CG2 4.24Å; L39-I172 HydrophobicContact CD2-CB 4.49Å; L39-I172 HydrophobicContact CD2-CG2 4.11Å; L71-I172 HydrophobicContact CD1-CG1 4.08Å; L83-I172 HydrophobicContact CD1-CD1 3.85Å; L83-I172 HydrophobicContact CD1-CG1 3.86Å; L83-I172 HydrophobicContact CD2-CG1 4.46Å; L168-I172 HydrophobicContact CD1-CD1 4.31Å; L168-I172 HydrophobicContact CD1-CG1 4.49Å; L168-I172 HydrophobicContact CG-CD1 4.11Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L168-I172 PolarHBondContact O-N 3.49Å; L169-I172 PolarHBondContact O-N 3.08Å; Q170-I172 VanDerWaalsContact C-N 3.26Å; Q170-I172 PolarHBondContact O-N 3.46Å; I172-T175 PolarHBondContact O-OG1 3.01Å
173	E	91.2	Very high	92.7	Very high	49 Å²	49	35.1 Å²	35.1	23%	0.229	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-39.3	178.5	-175.3	70.3	-129.4	0	0	113.3	K26 L39 R43 L169 Q170 T175	K26-E173 WeakPolarHBondContact CD-OE1 3.44Å; K26-E173 WeakPolarHBondContact CE-OE1 3.43Å; K26-E173 PolarHBondContact NZ-O 3.47Å; K26-E173 IonicContact NZ-OE1 2.69Å; K26-E173 PolarHBondContact NZ-OE1 3.22Å; L39-E173 HydrophobicContact CD2-CB 3.98Å; L39-E173 VanDerWaalsContact CD2-OE2 3.26Å; L39-E173 WeakPolarHBondContact CD2-OE2 3.41Å; R43-E173 IonicContact CZ-OE2 3.15Å; R43-E173 IonicContact NH1-OE2 2.66Å; R43-E173 PolarHBondContact NH1-OE2 3.27Å; R43-E173 IonicContact NH2-OE2 3.08Å; R43-E173 PolarHBondContact NH2-OE2 2.78Å; L169-E173 PolarHBondContact O-N 3.07Å; Q170-E173 WeakPolarHBondContact O-CB 3.41Å; Q170-E173 PolarHBondContact O-N 3.47Å; Q170-E173 VanDerWaalsContact O-N 3.12Å; E173-T175 PolarHBondContact O-N 2.67Å
174	E	89.8	Confident	92.3	Very high	67 Å²	67	37.5 Å²	37.5	31%	0.313	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	0.8	-176.7	-67.8	174.6	164.6	0	0	113.1	Q72 Q170 E176	Q72-E174 PolarHBondContact NE2-OE2 3.09Å; Q72-E174 PolarHBondContact OE1-OE2 3.05Å; Q170-E174 HydrophobicContact CG-CG 4.35Å; Q170-E174 PolarHBondContact NE2-OE1 3.35Å; Q170-E174 WeakPolarHBondContact O-CG 3.28Å; Q170-E174 PolarHBondContact O-N 3Å; E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.15Å
175	T	82.3	Confident	91.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.188	C	C	.	.			trans	-76.3	82.1	169.5	64.3	0	0	0	0	110.3	L30 L71 W171 I172 E173	L30-T175 HydrophobicContact CD2-CG2 4.22Å; L71-T175 HydrophobicContact CB-CG2 3.68Å; L71-T175 HydrophobicContact CD1-CG2 4.16Å; W171-T175 WeakPolarHBondContact O-CG2 3.22Å; I172-T175 PolarHBondContact O-OG1 3.01Å; E173-T175 PolarHBondContact O-N 2.67Å
176	E	60.8	Low	91.2	Very high	192 Å²	192	43.1 Å²	43.1	90%	0.897	21%	0.205	S	C	*	.			trans	-72.9	0	162.4	-64.3	-172.9	173	0	0	111.5	N29 R79 E174	N29-E176 WeakPolarHBondContact CB-OXT 3.27Å; N29-E176 PolarHBondContact ND2-OXT 3.36Å; R79-E176 PolarHBondContact NH1-O 2.76Å; E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.15Å

Retrieved 176 of 176 residues in 136.4 ms (Link to these results)

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