A0A077Z5M5_TRITR Loading...

Mitochondrial inner membrane protein Mpv17

AlphaFold DB , UniProt , Accession A0A077Z5M5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 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	49	Very low	53.4	Low	211 Å²	211	136.1 Å²	136.1	100%	1.039	64%	0.635	S	S	*	*				0	-50.3	0	-138.5	164.9	-176.7	0	0	112.6	A3 W4 Y5	M1-A3 PolarHBondContact O-N 3.31Å; M1-W4 PolarHBondContact O-N 3.15Å; M1-Y5 PolarHBondContact O-N 2.81Å
2	Y	53.2	Low	54.6	Low	196 Å²	196	132.1 Å²	132.1	77%	0.769	62%	0.616	S	S	*	*	H	α-helix	trans	-55.1	-42.6	176.1	-88.3	-84.3	0	0	0	115.3	W4 Y5 N6	Y2-W4 PolarHBondContact O-N 2.96Å; Y2-Y5 PolarHBondContact O-N 3.45Å; Y2-N6 PolarHBondContact O-N 2.91Å
3	A	47.3	Very low	56.1	Low	79 Å²	79	126 Å²	126	65%	0.653	60%	0.595	S	S	*	*	H	α-helix	trans	-66.2	-36.8	-179.1	0	0	0	0	0	113.6	M1 R7	M1-A3 PolarHBondContact O-N 3.31Å; A3-R7 WeakPolarHBondContact O-CB 3.27Å; A3-R7 PolarHBondContact O-N 3.32Å
4	W	49.9	Very low	57.8	Low	161 Å²	161	124.3 Å²	124.3	61%	0.61	58%	0.58	S	S	*	*	H	α-helix	trans	-70.5	-40.2	176.7	178	93.4	0	0	0	111.8	M1 Y2 R7 K8	M1-W4 PolarHBondContact O-N 3.15Å; Y2-W4 PolarHBondContact O-N 2.96Å; W4-R7 PolarHBondContact O-N 3.39Å; W4-K8 HydrophobicContact CD2-CD 4.28Å; W4-K8 HydrophobicContact CE3-CD 4.44Å; W4-K8 HydrophobicContact CH2-CD 3.81Å; W4-K8 HydrophobicContact CZ2-CD 3.62Å; W4-K8 HydrophobicContact CZ3-CD 4.2Å; W4-K8 PolarHBondContact O-N 3.23Å
5	Y	52.4	Low	59.7	Low	132 Å²	132	122.4 Å²	122.4	52%	0.518	57%	0.569	S	S	.	*	H	α-helix	trans	-59.7	-49	173.8	177.5	-102.7	0	0	0	111.1	M1 Y2 R7 K8 L9	M1-Y5 PolarHBondContact O-N 2.81Å; Y2-Y5 PolarHBondContact O-N 3.45Å; Y5-R7 PolarHBondContact O-N 3.07Å; Y5-K8 PolarHBondContact O-N 3.48Å; Y5-L9 HydrophobicContact CD1-CD1 3.83Å; Y5-L9 HydrophobicContact CD2-CD1 3.79Å; Y5-L9 HydrophobicContact CE1-CD1 3.47Å; Y5-L9 VanDerWaalsContact CE1-CD1 3.47Å; Y5-L9 HydrophobicContact CE2-CD1 3.42Å; Y5-L9 VanDerWaalsContact CE2-CD1 3.42Å; Y5-L9 HydrophobicContact CG-CD1 3.98Å; Y5-L9 WeakPolarHBondContact O-CD1 3.15Å; Y5-L9 PolarHBondContact O-N 3.32Å
6	N	54.9	Low	61.3	Low	86 Å²	86	116.3 Å²	116.3	46%	0.46	55%	0.549	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.1	-76.3	-9.5	0	0	0	112.2	Y2 K8 L9 L10	Y2-N6 PolarHBondContact O-N 2.91Å; N6-K8 PolarHBondContact O-N 3.19Å; N6-L9 PolarHBondContact O-N 3.03Å; N6-L10 WeakPolarHBondContact O-CB 3.44Å; N6-L10 WeakPolarHBondContact O-CG 3.39Å; N6-L10 PolarHBondContact O-N 3.15Å
7	R	54.4	Low	62.8	Low	188 Å²	188	113.8 Å²	113.8	71%	0.709	54%	0.537	S	S	*	.	H	α-helix	trans	-64.4	-41.3	179.2	-160	176.4	-174.6	-162.1	1.5	112	A3 W4 Y5 L10 L11	A3-R7 WeakPolarHBondContact O-CB 3.27Å; A3-R7 PolarHBondContact O-N 3.32Å; W4-R7 PolarHBondContact O-N 3.39Å; Y5-R7 PolarHBondContact O-N 3.07Å; R7-L10 PolarHBondContact O-N 3.44Å; R7-L11 HydrophobicContact CG-CD1 4.48Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.32Å; R7-L11 VanDerWaalsContact O-N 3.08Å
8	K	53.3	Low	64.4	Low	114 Å²	114	108.9 Å²	108.9	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-69.6	-38.3	175.2	-80.6	-166.5	172.2	-173.3	0	113	W4 Y5 N6 L10 L11 H12	W4-K8 HydrophobicContact CD2-CD 4.28Å; W4-K8 HydrophobicContact CE3-CD 4.44Å; W4-K8 HydrophobicContact CH2-CD 3.81Å; W4-K8 HydrophobicContact CZ2-CD 3.62Å; W4-K8 HydrophobicContact CZ3-CD 4.2Å; W4-K8 PolarHBondContact O-N 3.23Å; Y5-K8 PolarHBondContact O-N 3.48Å; N6-K8 PolarHBondContact O-N 3.19Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.11Å; K8-L11 PolarHBondContact O-N 2.95Å; K8-H12 PolarHBondContact O-N 3.09Å
9	L	54.6	Low	65.9	Low	72 Å²	72	108.8 Å²	108.8	38%	0.377	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-37.6	173.3	-103.7	102.9	0	0	0	112.3	Y5 N6 P13	Y5-L9 HydrophobicContact CD1-CD1 3.83Å; Y5-L9 HydrophobicContact CD2-CD1 3.79Å; Y5-L9 HydrophobicContact CE1-CD1 3.47Å; Y5-L9 VanDerWaalsContact CE1-CD1 3.47Å; Y5-L9 HydrophobicContact CE2-CD1 3.42Å; Y5-L9 VanDerWaalsContact CE2-CD1 3.42Å; Y5-L9 HydrophobicContact CG-CD1 3.98Å; Y5-L9 WeakPolarHBondContact O-CD1 3.15Å; Y5-L9 PolarHBondContact O-N 3.32Å; N6-L9 PolarHBondContact O-N 3.03Å; L9-P13 VanDerWaalsContact O-CA 3.27Å; L9-P13 WeakPolarHBondContact O-CA 3.33Å
10	L	58.5	Low	67.1	Low	143 Å²	143	106.3 Å²	106.3	75%	0.749	51%	0.513	S	S	*	.	H	α-helix	trans	-71.7	-32.1	177.1	-71.5	169.4	0	0	0	112.7	N6 R7 K8	N6-L10 WeakPolarHBondContact O-CB 3.44Å; N6-L10 WeakPolarHBondContact O-CG 3.39Å; N6-L10 PolarHBondContact O-N 3.15Å; R7-L10 PolarHBondContact O-N 3.44Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.11Å
11	L	59.5	Low	68.3	Low	115 Å²	115	101.7 Å²	101.7	60%	0.602	49%	0.492	S	S	*	.	H	α-helix	trans	-74.6	-35.8	179.8	-73.3	168.5	0	0	0	113.1	R7 K8	R7-L11 HydrophobicContact CG-CD1 4.48Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.32Å; R7-L11 VanDerWaalsContact O-N 3.08Å; K8-L11 PolarHBondContact O-N 2.95Å
12	H	67.8	Low	70.5	Confident	88 Å²	88	91.6 Å²	91.6	41%	0.407	44%	0.443	S	S	.	.			trans	-138	67.5	179.8	-62.2	-48.5	0	0	0	111.9	K8 W14 K15 G16	K8-H12 PolarHBondContact O-N 3.09Å; H12-W14 AromaticContact ND1-NE1 3.92Å; H12-W14 PolarHBondContact O-N 3.4Å; H12-W14 VanDerWaalsContact O-N 3.14Å; H12-K15 HydrophobicContact CB-CB 4.16Å; H12-K15 HydrophobicContact CB-CD 3.82Å; H12-K15 HydrophobicContact CB-CG 3.95Å; H12-K15 PolarHBondContact O-N 2.85Å; H12-G16 PolarHBondContact O-N 2.72Å
13	P	74.2	Confident	72.5	Confident	53 Å²	53	88.5 Å²	88.5	34%	0.344	43%	0.434	S	S	.	.	H	α-helix	trans	-57.3	-34.1	-177	21.6	-33.1	0	0	0	112.1	L9 K15 G16 Q17	L9-P13 VanDerWaalsContact O-CA 3.27Å; L9-P13 WeakPolarHBondContact O-CA 3.33Å; P13-K15 PolarHBondContact O-N 2.9Å; P13-G16 PolarHBondContact O-N 2.82Å; P13-Q17 WeakPolarHBondContact O-CG 3.31Å; P13-Q17 PolarHBondContact O-N 3.22Å; P13-Q17 VanDerWaalsContact O-N 3.09Å
14	W	80.9	Confident	74.7	Confident	102 Å²	102	86.2 Å²	86.2	39%	0.386	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-41.3	177.9	67.6	-91.2	0	0	0	113	H12 G16 Q17 M18 W66	H12-W14 AromaticContact ND1-NE1 3.92Å; H12-W14 PolarHBondContact O-N 3.4Å; H12-W14 VanDerWaalsContact O-N 3.14Å; W14-G16 VanDerWaalsContact C-N 3.32Å; W14-G16 PolarHBondContact O-N 2.97Å; W14-Q17 PolarHBondContact O-N 3.21Å; W14-M18 HydrophobicContact CE3-CG 4.49Å; W14-M18 HydrophobicContact CE3-SD 3.37Å; W14-M18 HydrophobicContact CZ3-SD 3.38Å; W14-M18 WeakPolarHBondContact CZ3-SD 3.33Å; W14-M18 WeakPolarHBondContact O-CG 3.27Å; W14-M18 PolarHBondContact O-N 3.33Å; W14-W66 HydrophobicContact CB-CD2 3.57Å; W14-W66 HydrophobicContact CB-CE3 3.94Å; W14-W66 HydrophobicContact CB-CG 3.83Å; W14-W66 HydrophobicContact CB-CZ2 4.29Å; W14-W66 HydrophobicContact CB-CZ3 4.43Å
15	K	85.4	Confident	76.8	Confident	96 Å²	96	78.8 Å²	78.8	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-40	177.5	-66.4	-176.9	-176.8	175.9	0	111.4	H12 P13 Q17 M18 V19	H12-K15 HydrophobicContact CB-CB 4.16Å; H12-K15 HydrophobicContact CB-CD 3.82Å; H12-K15 HydrophobicContact CB-CG 3.95Å; H12-K15 PolarHBondContact O-N 2.85Å; P13-K15 PolarHBondContact O-N 2.9Å; K15-Q17 VanDerWaalsContact C-N 3.34Å; K15-M18 PolarHBondContact O-N 2.93Å; K15-V19 WeakPolarHBondContact O-CG2 3.49Å; K15-V19 PolarHBondContact O-N 2.73Å; K15-V19 VanDerWaalsContact O-N 3.17Å
16	G	85.5	Confident	78.9	Confident	24 Å²	24	74.3 Å²	74.3	25%	0.247	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-43.9	175	0	0	0	0	0	111.9	H12 P13 W14 M18 V19 V20	H12-G16 PolarHBondContact O-N 2.72Å; P13-G16 PolarHBondContact O-N 2.82Å; W14-G16 VanDerWaalsContact C-N 3.32Å; W14-G16 PolarHBondContact O-N 2.97Å; G16-M18 PolarHBondContact O-N 2.7Å; G16-V19 PolarHBondContact O-N 2.82Å; G16-V20 WeakPolarHBondContact O-CB 3.3Å; G16-V20 VanDerWaalsContact O-CG2 3.3Å; G16-V20 WeakPolarHBondContact O-CG2 3.27Å; G16-V20 PolarHBondContact O-N 3.13Å
17	Q	86.8	Confident	80.7	Confident	75 Å²	75	71.3 Å²	71.3	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-39.1	177.7	-65.5	-57.4	-29.8	0	0	112.6	P13 W14 K15 A21 W66	P13-Q17 WeakPolarHBondContact O-CG 3.31Å; P13-Q17 PolarHBondContact O-N 3.22Å; P13-Q17 VanDerWaalsContact O-N 3.09Å; W14-Q17 PolarHBondContact O-N 3.21Å; K15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-A21 WeakPolarHBondContact O-CB 3.23Å; Q17-A21 PolarHBondContact O-N 2.82Å; Q17-W66 HydrophobicContact CB-CB 4.24Å; Q17-W66 HydrophobicContact CG-CB 4.14Å
18	M	92.2	Very high	82.6	Confident	26 Å²	26	62.3 Å²	62.3	13%	0.128	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-51	174.8	-66.6	174.8	73.9	0	0	112	W14 K15 G16 V20 A21 G22 T58 F59 P63	W14-M18 HydrophobicContact CE3-CG 4.49Å; W14-M18 HydrophobicContact CE3-SD 3.37Å; W14-M18 HydrophobicContact CZ3-SD 3.38Å; W14-M18 WeakPolarHBondContact CZ3-SD 3.33Å; W14-M18 WeakPolarHBondContact O-CG 3.27Å; W14-M18 PolarHBondContact O-N 3.33Å; K15-M18 PolarHBondContact O-N 2.93Å; G16-M18 PolarHBondContact O-N 2.7Å; M18-V20 PolarHBondContact O-N 2.81Å; M18-A21 PolarHBondContact O-N 3.5Å; M18-G22 PolarHBondContact O-N 2.93Å; M18-T58 HydrophobicContact CB-CG2 4.25Å; M18-T58 WeakPolarHBondContact CB-O 3.14Å; M18-T58 HydrophobicContact CE-CG2 4.22Å; M18-T58 VanDerWaalsContact CE-O 3.27Å; M18-T58 WeakPolarHBondContact CE-O 3.32Å; M18-T58 VanDerWaalsContact CG-O 3.27Å; M18-T58 WeakPolarHBondContact CG-O 3.36Å; M18-T58 WeakPolarHBondContact O-CA 3.3Å; M18-F59 HydrophobicContact CE-CD1 3.79Å; M18-F59 HydrophobicContact CE-CE1 4.02Å; M18-P63 HydrophobicContact CE-CG 4.28Å; M18-P63 HydrophobicContact CG-CG 3.79Å; M18-P63 HydrophobicContact SD-CG 4.19Å
19	V	91.7	Very high	84.5	Confident	106 Å²	106	56.9 Å²	56.9	64%	0.642	30%	0.295	S	S	*	.	H	α-helix	trans	-63.8	-45	-178.5	174.9	0	0	0	0	111.1	K15 G16 G22 F23	K15-V19 WeakPolarHBondContact O-CG2 3.49Å; K15-V19 PolarHBondContact O-N 2.73Å; K15-V19 VanDerWaalsContact O-N 3.17Å; G16-V19 PolarHBondContact O-N 2.82Å; V19-G22 PolarHBondContact O-N 3.35Å; V19-F23 WeakPolarHBondContact O-CB 3.47Å; V19-F23 PolarHBondContact O-N 2.92Å
20	V	90.8	Very high	86.4	Confident	58 Å²	58	56.6 Å²	56.6	35%	0.352	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-45	180	171.2	0	0	0	0	111.2	G16 M18 F23 M24	G16-V20 WeakPolarHBondContact O-CB 3.3Å; G16-V20 VanDerWaalsContact O-CG2 3.3Å; G16-V20 WeakPolarHBondContact O-CG2 3.27Å; G16-V20 PolarHBondContact O-N 3.13Å; M18-V20 PolarHBondContact O-N 2.81Å; V20-F23 PolarHBondContact O-N 3.04Å; V20-M24 HydrophobicContact CG1-CE 4.28Å; V20-M24 HydrophobicContact CG1-CG 4.45Å; V20-M24 HydrophobicContact CG1-SD 4.07Å; V20-M24 WeakPolarHBondContact O-CB 3.48Å; V20-M24 VanDerWaalsContact O-CG 3.29Å; V20-M24 WeakPolarHBondContact O-CG 3.4Å; V20-M24 PolarHBondContact O-N 3.36Å
21	A	93.1	Very high	88	Confident	10 Å²	10	53.3 Å²	53.3	8%	0.083	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-44	178.9	0	0	0	0	0	111.5	Q17 M18 F23 M24 M25 G57 V61	Q17-A21 WeakPolarHBondContact O-CB 3.23Å; Q17-A21 PolarHBondContact O-N 2.82Å; M18-A21 PolarHBondContact O-N 3.5Å; A21-F23 PolarHBondContact O-N 3.47Å; A21-M24 PolarHBondContact O-N 2.94Å; A21-M25 WeakPolarHBondContact O-CG 3.4Å; A21-M25 PolarHBondContact O-N 3.4Å; A21-G57 WeakPolarHBondContact CB-O 3.48Å; A21-V61 HydrophobicContact CB-CG1 4.32Å
22	G	95	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-51.5	173.5	0	0	0	0	0	112.5	M18 V19 M24 M25 I26 T58	M18-G22 PolarHBondContact O-N 2.93Å; V19-G22 PolarHBondContact O-N 3.35Å; G22-M24 PolarHBondContact O-N 3.24Å; G22-M25 PolarHBondContact O-N 2.88Å; G22-I26 WeakPolarHBondContact O-CG2 3.37Å; G22-I26 PolarHBondContact O-N 2.74Å; G22-T58 WeakPolarHBondContact CA-OG1 3.46Å
23	F	94.6	Very high	90.7	Very high	131 Å²	131	43.6 Å²	43.6	58%	0.575	23%	0.227	S	C	*	.	H	α-helix	trans	-61	-44	178.6	-173.9	-100.5	0	0	0	112.2	V19 V20 A21 M25 I26 S27	V19-F23 WeakPolarHBondContact O-CB 3.47Å; V19-F23 PolarHBondContact O-N 2.92Å; V20-F23 PolarHBondContact O-N 3.04Å; A21-F23 PolarHBondContact O-N 3.47Å; F23-M25 VanDerWaalsContact C-N 3.33Å; F23-M25 PolarHBondContact O-N 3.05Å; F23-I26 VanDerWaalsContact O-CG2 3.29Å; F23-I26 WeakPolarHBondContact O-CG2 3.39Å; F23-S27 VanDerWaalsContact O-CB 3.31Å; F23-S27 WeakPolarHBondContact O-CB 3.37Å; F23-S27 PolarHBondContact O-N 2.59Å; F23-S27 PolarHBondContact O-OG 2.97Å
24	M	92.6	Very high	91.5	Very high	31 Å²	31	44 Å²	44	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-42.2	178.2	-78.5	-174.2	160.3	0	0	112.8	V20 A21 G22 G28 K158 F162	V20-M24 HydrophobicContact CG1-CE 4.28Å; V20-M24 HydrophobicContact CG1-CG 4.45Å; V20-M24 HydrophobicContact CG1-SD 4.07Å; V20-M24 WeakPolarHBondContact O-CB 3.48Å; V20-M24 VanDerWaalsContact O-CG 3.29Å; V20-M24 WeakPolarHBondContact O-CG 3.4Å; V20-M24 PolarHBondContact O-N 3.36Å; A21-M24 PolarHBondContact O-N 2.94Å; G22-M24 PolarHBondContact O-N 3.24Å; M24-G28 PolarHBondContact O-N 2.85Å; M24-K158 HydrophobicContact CE-CD 3.25Å; M24-K158 HydrophobicContact CE-CG 4.46Å; M24-K158 HydrophobicContact SD-CD 4.45Å; M24-F162 HydrophobicContact CE-CE2 4.29Å; M24-F162 HydrophobicContact CE-CZ 4.49Å; M24-F162 HydrophobicContact CG-CZ 4.47Å
25	M	94.7	Very high	92	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-43.9	-178.4	-69.3	-163.1	72.3	0	0	112.3	A21 G22 F23 G28 D29 F53 I56 G57 V61 F103 N165	A21-M25 WeakPolarHBondContact O-CG 3.4Å; A21-M25 PolarHBondContact O-N 3.4Å; G22-M25 PolarHBondContact O-N 2.88Å; F23-M25 VanDerWaalsContact C-N 3.33Å; F23-M25 PolarHBondContact O-N 3.05Å; M25-G28 PolarHBondContact O-N 3.46Å; M25-D29 WeakPolarHBondContact O-CB 3.47Å; M25-D29 PolarHBondContact O-N 3.41Å; M25-F53 HydrophobicContact CB-CB 4.32Å; M25-F53 HydrophobicContact CB-CD1 4.38Å; M25-F53 WeakPolarHBondContact CB-O 3.43Å; M25-F53 HydrophobicContact CE-CD1 3.63Å; M25-F53 HydrophobicContact CE-CE1 4.01Å; M25-I56 HydrophobicContact CE-CG2 4.23Å; M25-I56 HydrophobicContact SD-CG2 4.36Å; M25-G57 WeakPolarHBondContact SD-CA 3.44Å; M25-G57 PolarHBondContact SD-N 3.46Å; M25-G57 VanDerWaalsContact SD-N 3.44Å; M25-V61 HydrophobicContact SD-CB 4.12Å; M25-V61 HydrophobicContact SD-CG2 3.63Å; M25-F103 HydrophobicContact CE-CD2 4.37Å; M25-F103 HydrophobicContact CE-CE2 3.4Å; M25-F103 VanDerWaalsContact CE-CE2 3.4Å; M25-F103 HydrophobicContact CE-CZ 3.95Å; M25-N165 WeakPolarHBondContact CG-OD1 3.37Å
26	I	95.6	Very high	92.2	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.195	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-40.9	175.8	-168.7	174.3	0	0	0	111.5	G22 F23 D29 L30 A50 L54	G22-I26 WeakPolarHBondContact O-CG2 3.37Å; G22-I26 PolarHBondContact O-N 2.74Å; F23-I26 VanDerWaalsContact O-CG2 3.29Å; F23-I26 WeakPolarHBondContact O-CG2 3.39Å; I26-D29 PolarHBondContact O-N 2.93Å; I26-L30 HydrophobicContact CG1-CD1 4.18Å; I26-L30 HydrophobicContact CG1-CG 4.34Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 3.36Å; I26-A50 HydrophobicContact CD1-CB 4.3Å; I26-A50 HydrophobicContact CG1-CB 4.06Å; I26-L54 HydrophobicContact CB-CB 4.12Å; I26-L54 HydrophobicContact CB-CD1 4.31Å; I26-L54 HydrophobicContact CD1-CB 4.19Å; I26-L54 HydrophobicContact CD1-CD2 4.27Å; I26-L54 HydrophobicContact CG1-CB 4.5Å; I26-L54 HydrophobicContact CG2-CD1 4.1Å
27	S	94.5	Very high	92.4	Very high	23 Å²	23	43 Å²	43	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-43.9	175.8	-63.4	0	0	0	0	111.7	F23 D29 L30 I31	F23-S27 VanDerWaalsContact O-CB 3.31Å; F23-S27 WeakPolarHBondContact O-CB 3.37Å; F23-S27 PolarHBondContact O-N 2.59Å; F23-S27 PolarHBondContact O-OG 2.97Å; S27-D29 VanDerWaalsContact C-N 3.29Å; S27-D29 PolarHBondContact O-N 2.95Å; S27-L30 PolarHBondContact O-N 3.28Å; S27-I31 WeakPolarHBondContact O-CB 3.48Å; S27-I31 WeakPolarHBondContact O-CD1 3.4Å; S27-I31 WeakPolarHBondContact O-CG1 3.48Å; S27-I31 PolarHBondContact O-N 3.07Å
28	G	92.8	Very high	92.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-42	175.9	0	0	0	0	0	112.2	M24 M25 I31 S32 T166	M24-G28 PolarHBondContact O-N 2.85Å; M25-G28 PolarHBondContact O-N 3.46Å; G28-I31 PolarHBondContact O-N 2.74Å; G28-S32 PolarHBondContact O-N 2.99Å; G28-T166 WeakPolarHBondContact CA-OG1 3.33Å; G28-T166 VanDerWaalsContact O-CA 3.29Å; G28-T166 WeakPolarHBondContact O-CA 3.46Å; G28-T166 PolarHBondContact O-OG1 2.89Å; G28-T166 VanDerWaalsContact O-OG1 3.04Å
29	D	94.6	Very high	92.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-48.7	176.1	-174.6	76.6	0	0	0	112.7	M25 I26 S27 I31 S32 Q33 R49 A50 F53 S169	M25-D29 WeakPolarHBondContact O-CB 3.47Å; M25-D29 PolarHBondContact O-N 3.41Å; I26-D29 PolarHBondContact O-N 2.93Å; S27-D29 VanDerWaalsContact C-N 3.29Å; S27-D29 PolarHBondContact O-N 2.95Å; D29-I31 VanDerWaalsContact C-N 3.29Å; D29-I31 PolarHBondContact O-N 3.38Å; D29-S32 WeakPolarHBondContact O-CA 3.22Å; D29-S32 VanDerWaalsContact O-CB 3.28Å; D29-S32 WeakPolarHBondContact O-CB 3.44Å; D29-S32 PolarHBondContact O-N 2.91Å; D29-Q33 WeakPolarHBondContact O-CG 3.49Å; D29-Q33 PolarHBondContact O-N 3.38Å; D29-Q33 PolarHBondContact OD2-NE2 2.78Å; D29-R49 WeakPolarHBondContact OD1-CG 3.35Å; D29-R49 IonicContact OD1-CZ 3.21Å; D29-R49 IonicContact OD1-NE 2.93Å; D29-R49 PolarHBondContact OD1-NE 2.91Å; D29-R49 IonicContact OD1-NH2 3.66Å; D29-A50 VanDerWaalsContact OD2-CA 3.26Å; D29-A50 WeakPolarHBondContact OD2-CA 3.46Å; D29-A50 PolarHBondContact OD2-N 3.26Å; D29-F53 HydrophobicContact CB-CB 3.96Å; D29-F53 HydrophobicContact CB-CD1 4.29Å; D29-F53 HydrophobicContact CB-CD2 4.22Å; D29-F53 HydrophobicContact CB-CG 3.88Å; D29-F53 WeakPolarHBondContact OD1-CD2 3.31Å; D29-S169 WeakPolarHBondContact CA-OG 3.48Å; D29-S169 WeakPolarHBondContact OD1-CB 3.45Å; D29-S169 PolarHBondContact OD1-OG 2.96Å
30	L	93.6	Very high	91.9	Very high	65 Å²	65	51.8 Å²	51.8	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-39.9	176.7	-69.2	173.5	0	0	0	111.8	I26 S27 S32 Q33 V34 I45 A50	I26-L30 HydrophobicContact CG1-CD1 4.18Å; I26-L30 HydrophobicContact CG1-CG 4.34Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 3.36Å; S27-L30 PolarHBondContact O-N 3.28Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-Q33 PolarHBondContact O-N 3.45Å; L30-V34 WeakPolarHBondContact O-CB 3.39Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 2.51Å; L30-I45 HydrophobicContact CD2-CG2 4.01Å; L30-A50 HydrophobicContact CD2-CB 4.2Å
31	I	92.3	Very high	91.6	Very high	74 Å²	74	51.5 Å²	51.5	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-40.7	173.8	-66.9	165	0	0	0	110.6	S27 G28 D29 Q33 V34 A35 T166	S27-I31 WeakPolarHBondContact O-CB 3.48Å; S27-I31 WeakPolarHBondContact O-CD1 3.4Å; S27-I31 WeakPolarHBondContact O-CG1 3.48Å; S27-I31 PolarHBondContact O-N 3.07Å; G28-I31 PolarHBondContact O-N 2.74Å; D29-I31 VanDerWaalsContact C-N 3.29Å; D29-I31 PolarHBondContact O-N 3.38Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 3.31Å; I31-V34 PolarHBondContact O-N 3.49Å; I31-A35 HydrophobicContact CG2-CB 4.21Å; I31-A35 WeakPolarHBondContact O-CA 3.43Å; I31-A35 VanDerWaalsContact O-CB 3.23Å; I31-A35 WeakPolarHBondContact O-CB 3.41Å; I31-A35 PolarHBondContact O-N 2.96Å; I31-T166 HydrophobicContact CB-CG2 4.31Å; I31-T166 HydrophobicContact CG2-CG2 3.81Å
32	S	91.9	Very high	91.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-59.6	-47.4	176.3	179.8	0	0	0	0	110.7	G28 D29 L30 I36 E37 R49 S169 W170	G28-S32 PolarHBondContact O-N 2.99Å; D29-S32 WeakPolarHBondContact O-CA 3.22Å; D29-S32 VanDerWaalsContact O-CB 3.28Å; D29-S32 WeakPolarHBondContact O-CB 3.44Å; D29-S32 PolarHBondContact O-N 2.91Å; L30-S32 VanDerWaalsContact C-N 3.34Å; S32-I36 WeakPolarHBondContact O-CA 3.49Å; S32-I36 WeakPolarHBondContact O-CB 3.28Å; S32-I36 PolarHBondContact O-N 3.06Å; S32-I36 VanDerWaalsContact O-N 3.13Å; S32-E37 PolarHBondContact O-N 2.84Å; S32-E37 PolarHBondContact OG-OE1 3.04Å; S32-R49 PolarHBondContact OG-NH2 3.27Å; S32-S169 WeakPolarHBondContact CB-OG 3.37Å; S32-W170 VanDerWaalsContact OG-CA 3.27Å; S32-W170 WeakPolarHBondContact OG-CA 3.29Å; S32-W170 VanDerWaalsContact OG-CB 3.3Å; S32-W170 WeakPolarHBondContact OG-CB 3.32Å; S32-W170 PolarHBondContact OG-N 2.97Å
33	Q	91.9	Very high	90.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.333	C	S	.	.	I	π-helix	trans	-63.8	-48.6	-179	-66.8	-168	50	0	0	111.6	D29 L30 I31 E37 R38 R39 E46	D29-Q33 WeakPolarHBondContact O-CG 3.49Å; D29-Q33 PolarHBondContact O-N 3.38Å; D29-Q33 PolarHBondContact OD2-NE2 2.78Å; L30-Q33 PolarHBondContact O-N 3.45Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 3.31Å; Q33-E37 CarbonylContact O-C 3.55Å; Q33-E37 WeakPolarHBondContact O-CB 3.36Å; Q33-R38 PolarHBondContact O-N 3.34Å; Q33-R39 VanDerWaalsContact O-CB 3.27Å; Q33-R39 WeakPolarHBondContact O-CB 3.43Å; Q33-R39 WeakPolarHBondContact O-CG 3.45Å; Q33-R39 PolarHBondContact O-N 3.37Å; Q33-E46 PolarHBondContact NE2-O 3.44Å
34	V	91.8	Very high	90.3	Very high	62 Å²	62	63.7 Å²	63.7	38%	0.376	33%	0.326	S	S	.	.	I	π-helix	trans	-77.6	-48.9	-174.8	175.9	0	0	0	0	112.3	L30 I31 R38 I45	L30-V34 WeakPolarHBondContact O-CB 3.39Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 2.51Å; I31-V34 PolarHBondContact O-N 3.49Å; V34-R38 WeakPolarHBondContact O-CA 3.38Å; V34-I45 HydrophobicContact CG2-CD1 4.48Å
35	A	91.1	Very high	90.2	Very high	69 Å²	69	64.5 Å²	64.5	57%	0.57	33%	0.331	S	S	*	.	I	π-helix	trans	-89.4	-35.6	-169.7	0	0	0	0	0	113.6	I31	I31-A35 HydrophobicContact CG2-CB 4.21Å; I31-A35 WeakPolarHBondContact O-CA 3.43Å; I31-A35 VanDerWaalsContact O-CB 3.23Å; I31-A35 WeakPolarHBondContact O-CB 3.41Å; I31-A35 PolarHBondContact O-N 2.96Å
36	I	88.9	Confident	90	Very high	76 Å²	76	68 Å²	68	39%	0.39	35%	0.347	S	S	.	.	I	π-helix	trans	-94.8	-49.2	-176.9	-55.7	-175.7	0	0	0	110.8	S32 R38 T166 W170	S32-I36 WeakPolarHBondContact O-CA 3.49Å; S32-I36 WeakPolarHBondContact O-CB 3.28Å; S32-I36 PolarHBondContact O-N 3.06Å; S32-I36 VanDerWaalsContact O-N 3.13Å; I36-R38 VanDerWaalsContact C-N 3.26Å; I36-R38 PolarHBondContact O-N 2.8Å; I36-T166 HydrophobicContact CD1-CG2 3.45Å; I36-T166 VanDerWaalsContact CD1-CG2 3.45Å; I36-T166 HydrophobicContact CG1-CG2 4.22Å; I36-W170 HydrophobicContact CD1-CB 4.38Å; I36-W170 VanDerWaalsContact CG2-CD1 3.44Å; I36-W170 HydrophobicContact CG2-CG 4.01Å
37	E	89.5	Confident	89.9	Confident	54 Å²	54	69.7 Å²	69.7	25%	0.252	37%	0.367	S	S	.	.	S	Bend	trans	-84.9	-0.9	-179.1	-64.1	169.2	-137.5	0	0	113	S32 Q33 R39 R49	S32-E37 PolarHBondContact O-N 2.84Å; S32-E37 PolarHBondContact OG-OE1 3.04Å; Q33-E37 CarbonylContact O-C 3.55Å; Q33-E37 WeakPolarHBondContact O-CB 3.36Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 HydrophobicContact CB-CG 4.1Å; E37-R39 PolarHBondContact O-N 3.16Å; E37-R39 IonicContact OE2-CZ 3.28Å; E37-R39 VanDerWaalsContact OE2-CZ 3.28Å; E37-R39 IonicContact OE2-NE 3.19Å; E37-R39 PolarHBondContact OE2-NE 2.9Å; E37-R39 IonicContact OE2-NH2 3.67Å; E37-R39 PolarHBondContact OE2-NH2 3.31Å; E37-R49 VanDerWaalsContact CD-NH1 3.27Å; E37-R49 IonicContact OE1-CZ 2.74Å; E37-R49 IonicContact OE1-NH1 2.59Å; E37-R49 PolarHBondContact OE1-NH1 3.02Å; E37-R49 IonicContact OE1-NH2 2.73Å; E37-R49 PolarHBondContact OE1-NH2 2.96Å; E37-R49 IonicContact OE2-CZ 2.72Å; E37-R49 IonicContact OE2-NH1 3.98Å; E37-R49 PolarHBondContact OE2-NH1 3.37Å
38	R	89.1	Confident	89.8	Confident	190 Å²	190	74.4 Å²	74.4	72%	0.717	39%	0.387	S	S	*	.			trans	56.1	38.6	174.5	-58.4	-176.5	179.6	-175.6	-1.1	113.6	Q33 V34 I36 H40	Q33-R38 PolarHBondContact O-N 3.34Å; V34-R38 WeakPolarHBondContact O-CA 3.38Å; I36-R38 VanDerWaalsContact C-N 3.26Å; I36-R38 PolarHBondContact O-N 2.8Å; R38-H40 PolarHBondContact O-CD2 2.96Å; R38-H40 PolarHBondContact O-N 3.46Å
39	R	86.4	Confident	89.8	Confident	52 Å²	52	74.5 Å²	74.5	20%	0.196	39%	0.387	C	S	.	.			trans	-85.7	96.1	176.6	-57.6	-168.4	-169.7	-167.5	7.9	109.6	Q33 E37 E44 E46	Q33-R39 VanDerWaalsContact O-CB 3.27Å; Q33-R39 WeakPolarHBondContact O-CB 3.43Å; Q33-R39 WeakPolarHBondContact O-CG 3.45Å; Q33-R39 PolarHBondContact O-N 3.37Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 HydrophobicContact CB-CG 4.1Å; E37-R39 PolarHBondContact O-N 3.16Å; E37-R39 IonicContact OE2-CZ 3.28Å; E37-R39 VanDerWaalsContact OE2-CZ 3.28Å; E37-R39 IonicContact OE2-NE 3.19Å; E37-R39 PolarHBondContact OE2-NE 2.9Å; E37-R39 IonicContact OE2-NH2 3.67Å; E37-R39 PolarHBondContact OE2-NH2 3.31Å; R39-E44 VanDerWaalsContact C-OE2 3.32Å; R39-E44 VanDerWaalsContact CA-OE2 3.27Å; R39-E44 WeakPolarHBondContact CA-OE2 3.48Å; R39-E44 HydrophobicContact CB-CB 3.7Å; R39-E44 WeakPolarHBondContact CD-O 3.42Å; R39-E44 HydrophobicContact CG-CB 4.06Å; R39-E44 PolarHBondContact NH1-O 3.41Å; R39-E46 IonicContact CZ-OE2 3.16Å; R39-E46 VanDerWaalsContact NH1-CD 3.3Å; R39-E46 IonicContact NH1-OE2 2.8Å; R39-E46 PolarHBondContact NH1-OE2 2.95Å; R39-E46 IonicContact NH2-OE2 3.83Å; R39-E46 PolarHBondContact NH2-OE2 3.39Å
40	H	85.3	Confident	89.8	Confident	150 Å²	150	74.8 Å²	74.8	69%	0.694	39%	0.389	S	S	*	.			trans	-95.3	-22	-173	-63.3	-62.3	0	0	0	112.6	R38 E44	R38-H40 PolarHBondContact O-CD2 2.96Å; R38-H40 PolarHBondContact O-N 3.46Å; H40-E44 PolarHBondContact N-OE2 3.08Å
41	S	84.8	Confident	89.8	Confident	52 Å²	52	74.2 Å²	74.2	36%	0.364	39%	0.394	S	S	.	.	S	Bend	trans	-91.5	143.5	175.7	-177.4	0	0	0	0	111.4	N43 E44	S41-N43 PolarHBondContact O-N 2.96Å; S41-N43 VanDerWaalsContact O-N 3.15Å; S41-N43 PolarHBondContact OG-N 3.28Å; S41-E44 PolarHBondContact N-OE2 3.46Å; S41-E44 WeakPolarHBondContact O-CB 3.5Å; S41-E44 PolarHBondContact O-N 2.73Å
42	L	82.6	Confident	90	Very high	146 Å²	146	72.1 Å²	72.1	76%	0.764	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.4	174	-67.8	178.5	0	0	0	112.4	E44 I45	L42-E44 VanDerWaalsContact C-N 3.27Å; L42-E44 PolarHBondContact O-N 3.34Å; L42-I45 HydrophobicContact CD2-CD1 4.08Å; L42-I45 PolarHBondContact O-N 3.15Å
43	N	85.5	Confident	90.1	Very high	158 Å²	158	72.2 Å²	72.2	85%	0.845	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.9	177.7	-65.3	-17.4	0	0	0	113.1	S41	S41-N43 PolarHBondContact O-N 2.96Å; S41-N43 VanDerWaalsContact O-N 3.15Å; S41-N43 PolarHBondContact OG-N 3.28Å
44	E	86.6	Confident	90.4	Very high	93 Å²	93	75.6 Å²	75.6	44%	0.435	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-23.2	176.7	-64.8	170.4	153.9	0	0	111.1	R39 H40 S41 L42 E46	R39-E44 VanDerWaalsContact C-OE2 3.32Å; R39-E44 VanDerWaalsContact CA-OE2 3.27Å; R39-E44 WeakPolarHBondContact CA-OE2 3.48Å; R39-E44 HydrophobicContact CB-CB 3.7Å; R39-E44 WeakPolarHBondContact CD-O 3.42Å; R39-E44 HydrophobicContact CG-CB 4.06Å; R39-E44 PolarHBondContact NH1-O 3.41Å; H40-E44 PolarHBondContact N-OE2 3.08Å; S41-E44 PolarHBondContact N-OE2 3.46Å; S41-E44 WeakPolarHBondContact O-CB 3.5Å; S41-E44 PolarHBondContact O-N 2.73Å; L42-E44 VanDerWaalsContact C-N 3.27Å; L42-E44 PolarHBondContact O-N 3.34Å; E44-E46 PolarHBondContact O-N 3.36Å
45	I	89.8	Confident	90.6	Very high	49 Å²	49	77 Å²	77	25%	0.251	40%	0.401	S	S	.	.	S	Bend	trans	-67.6	118.8	-179.7	-58.8	179.8	0	0	0	109.9	L30 V34 L42 A47	L30-I45 HydrophobicContact CD2-CG2 4.01Å; V34-I45 HydrophobicContact CG2-CD1 4.48Å; L42-I45 HydrophobicContact CD2-CD1 4.08Å; L42-I45 PolarHBondContact O-N 3.15Å; I45-A47 PolarHBondContact O-N 3.34Å
46	E	92.2	Very high	90.9	Very high	76 Å²	76	73.7 Å²	73.7	36%	0.355	37%	0.374	S	S	.	.			trans	-75.8	90.1	173	-83.1	172.8	112.3	0	0	110.3	Q33 R39 E44 E48 R49 A50	Q33-E46 PolarHBondContact NE2-O 3.44Å; R39-E46 IonicContact CZ-OE2 3.16Å; R39-E46 VanDerWaalsContact NH1-CD 3.3Å; R39-E46 IonicContact NH1-OE2 2.8Å; R39-E46 PolarHBondContact NH1-OE2 2.95Å; R39-E46 IonicContact NH2-OE2 3.83Å; R39-E46 PolarHBondContact NH2-OE2 3.39Å; E44-E46 PolarHBondContact O-N 3.36Å; E46-E48 VanDerWaalsContact C-N 3.26Å; E46-E48 PolarHBondContact O-N 2.88Å; E46-R49 HydrophobicContact CB-CB 3.65Å; E46-R49 WeakPolarHBondContact O-CB 3.26Å; E46-R49 PolarHBondContact O-N 2.8Å; E46-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 IonicContact OE2-NH1 2.82Å; E46-A50 PolarHBondContact O-N 3.33Å; E46-A50 VanDerWaalsContact O-N 3.08Å
47	A	92.2	Very high	91.2	Very high	75 Å²	75	70.1 Å²	70.1	62%	0.62	36%	0.355	S	S	*	.	H	α-helix	trans	-58.8	-36.6	176.2	0	0	0	0	0	112.6	I45 R49 A50 A51	I45-A47 PolarHBondContact O-N 3.34Å; A47-R49 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 3.33Å; A47-A50 PolarHBondContact O-N 2.94Å; A47-A51 WeakPolarHBondContact O-CB 3.22Å; A47-A51 PolarHBondContact O-N 2.88Å
48	E	92.2	Very high	91.5	Very high	122 Å²	122	68.7 Å²	68.7	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-63.8	-39.5	176.9	-167.8	-171.6	154.7	0	0	111.6	E46 A51 R52	E46-E48 VanDerWaalsContact C-N 3.26Å; E46-E48 PolarHBondContact O-N 2.88Å; E48-A51 PolarHBondContact O-N 3.39Å; E48-R52 WeakPolarHBondContact O-CG 2.97Å; E48-R52 PolarHBondContact O-N 3.36Å; E48-R52 IonicContact OE1-CZ 2.7Å; E48-R52 IonicContact OE1-NH1 2.81Å; E48-R52 PolarHBondContact OE1-NH1 3.48Å
49	R	92.6	Very high	91.8	Very high	1 Å²	1	65.5 Å²	65.5	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-65	-47.8	175.7	179.2	-176.1	162.8	174.1	1.1	111	D29 S32 E37 E46 A47 A51 R52 F53 S169 N173	D29-R49 WeakPolarHBondContact OD1-CG 3.35Å; D29-R49 IonicContact OD1-CZ 3.21Å; D29-R49 IonicContact OD1-NE 2.93Å; D29-R49 PolarHBondContact OD1-NE 2.91Å; D29-R49 IonicContact OD1-NH2 3.66Å; S32-R49 PolarHBondContact OG-NH2 3.27Å; E37-R49 VanDerWaalsContact CD-NH1 3.27Å; E37-R49 IonicContact OE1-CZ 2.74Å; E37-R49 IonicContact OE1-NH1 2.59Å; E37-R49 PolarHBondContact OE1-NH1 3.02Å; E37-R49 IonicContact OE1-NH2 2.73Å; E37-R49 PolarHBondContact OE1-NH2 2.96Å; E37-R49 IonicContact OE2-CZ 2.72Å; E37-R49 IonicContact OE2-NH1 3.98Å; E37-R49 PolarHBondContact OE2-NH1 3.37Å; E46-R49 HydrophobicContact CB-CB 3.65Å; E46-R49 WeakPolarHBondContact O-CB 3.26Å; E46-R49 PolarHBondContact O-N 2.8Å; E46-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 IonicContact OE2-NH1 2.82Å; A47-R49 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 3.33Å; R49-A51 VanDerWaalsContact C-N 3.27Å; R49-A51 PolarHBondContact O-N 2.9Å; R49-R52 WeakPolarHBondContact O-CB 3.34Å; R49-R52 PolarHBondContact O-N 3.49Å; R49-R52 VanDerWaalsContact O-N 3.13Å; R49-F53 HydrophobicContact CG-CD2 4.25Å; R49-F53 HydrophobicContact CG-CE2 4.34Å; R49-F53 WeakPolarHBondContact O-CD2 3.5Å; R49-F53 PolarHBondContact O-N 2.86Å; R49-S169 PolarHBondContact NE-OG 3.34Å; R49-S169 VanDerWaalsContact NH2-C 3.33Å; R49-S169 PolarHBondContact NH2-O 2.97Å; R49-S169 VanDerWaalsContact NH2-O 3.07Å; R49-S169 PolarHBondContact NH2-OG 2.97Å; R49-N173 VanDerWaalsContact CZ-CB 3.48Å; R49-N173 VanDerWaalsContact CZ-CG 3.45Å; R49-N173 VanDerWaalsContact NE-CG 3.27Å; R49-N173 PolarHBondContact NE-ND2 3.45Å
50	A	94.5	Very high	92.3	Very high	6 Å²	6	65.3 Å²	65.3	5%	0.05	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-40.7	175.9	0	0	0	0	0	111.7	I26 D29 L30 E46 A47 F53 L54	I26-A50 HydrophobicContact CD1-CB 4.3Å; I26-A50 HydrophobicContact CG1-CB 4.06Å; D29-A50 VanDerWaalsContact OD2-CA 3.26Å; D29-A50 WeakPolarHBondContact OD2-CA 3.46Å; D29-A50 PolarHBondContact OD2-N 3.26Å; L30-A50 HydrophobicContact CD2-CB 4.2Å; E46-A50 PolarHBondContact O-N 3.33Å; E46-A50 VanDerWaalsContact O-N 3.08Å; A47-A50 PolarHBondContact O-N 2.94Å; A50-F53 PolarHBondContact O-N 3.2Å; A50-L54 WeakPolarHBondContact O-CB 3.23Å; A50-L54 PolarHBondContact O-N 3.01Å
51	A	95.4	Very high	92.7	Very high	54 Å²	54	59.5 Å²	59.5	45%	0.446	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-40.1	175.6	0	0	0	0	0	112.6	A47 E48 R49 L54 F55	A47-A51 WeakPolarHBondContact O-CB 3.22Å; A47-A51 PolarHBondContact O-N 2.88Å; E48-A51 PolarHBondContact O-N 3.39Å; R49-A51 VanDerWaalsContact C-N 3.27Å; R49-A51 PolarHBondContact O-N 2.9Å; A51-L54 PolarHBondContact O-N 3.44Å; A51-F55 WeakPolarHBondContact O-CB 3.27Å; A51-F55 PolarHBondContact O-N 3.38Å
52	R	95.4	Very high	93.1	Very high	30 Å²	30	57 Å²	57	11%	0.113	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-46.9	173.1	-72.8	-175.7	-68.5	-118.6	0.7	111.5	E48 R49 L54 F55 I56 L110	E48-R52 WeakPolarHBondContact O-CG 2.97Å; E48-R52 PolarHBondContact O-N 3.36Å; E48-R52 IonicContact OE1-CZ 2.7Å; E48-R52 IonicContact OE1-NH1 2.81Å; E48-R52 PolarHBondContact OE1-NH1 3.48Å; R49-R52 WeakPolarHBondContact O-CB 3.34Å; R49-R52 PolarHBondContact O-N 3.49Å; R49-R52 VanDerWaalsContact O-N 3.13Å; R52-L54 PolarHBondContact O-N 2.96Å; R52-F55 PolarHBondContact O-N 3.33Å; R52-I56 WeakPolarHBondContact O-CB 3.4Å; R52-I56 VanDerWaalsContact O-CG1 3.25Å; R52-I56 WeakPolarHBondContact O-CG1 3.17Å; R52-I56 PolarHBondContact O-N 2.97Å; R52-L110 HydrophobicContact CB-CD1 4.36Å; R52-L110 HydrophobicContact CG-CB 4.04Å; R52-L110 HydrophobicContact CG-CD1 4.33Å
53	F	94.9	Very high	93.6	Very high	2 Å²	2	52 Å²	52	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-40	178.1	-87.7	-96.9	0	0	0	112.2	M25 D29 R49 A50 G57 F103 S169 T172	M25-F53 HydrophobicContact CB-CB 4.32Å; M25-F53 HydrophobicContact CB-CD1 4.38Å; M25-F53 WeakPolarHBondContact CB-O 3.43Å; M25-F53 HydrophobicContact CE-CD1 3.63Å; M25-F53 HydrophobicContact CE-CE1 4.01Å; D29-F53 HydrophobicContact CB-CB 3.96Å; D29-F53 HydrophobicContact CB-CD1 4.29Å; D29-F53 HydrophobicContact CB-CD2 4.22Å; D29-F53 HydrophobicContact CB-CG 3.88Å; D29-F53 WeakPolarHBondContact OD1-CD2 3.31Å; R49-F53 HydrophobicContact CG-CD2 4.25Å; R49-F53 HydrophobicContact CG-CE2 4.34Å; R49-F53 WeakPolarHBondContact O-CD2 3.5Å; R49-F53 PolarHBondContact O-N 2.86Å; A50-F53 PolarHBondContact O-N 3.2Å; F53-G57 PolarHBondContact O-N 2.94Å; F53-F103 HydrophobicContact CE1-CZ 4.04Å; F53-F103 HydrophobicContact CZ-CZ 4.38Å; F53-S169 VanDerWaalsContact CZ-CA 3.49Å; F53-T172 WeakPolarHBondContact CZ-OG1 3.32Å
54	L	97	Very high	94.1	Very high	71 Å²	71	46 Å²	46	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-47	172.7	-179.1	61.8	0	0	0	111.5	I26 A50 A51 R52 G57 T58	I26-L54 HydrophobicContact CB-CB 4.12Å; I26-L54 HydrophobicContact CB-CD1 4.31Å; I26-L54 HydrophobicContact CD1-CB 4.19Å; I26-L54 HydrophobicContact CD1-CD2 4.27Å; I26-L54 HydrophobicContact CG1-CB 4.5Å; I26-L54 HydrophobicContact CG2-CD1 4.1Å; A50-L54 WeakPolarHBondContact O-CB 3.23Å; A50-L54 PolarHBondContact O-N 3.01Å; A51-L54 PolarHBondContact O-N 3.44Å; R52-L54 PolarHBondContact O-N 2.96Å; L54-G57 PolarHBondContact O-N 3.2Å; L54-T58 VanDerWaalsContact O-CB 3.27Å; L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 3.46Å; L54-T58 PolarHBondContact O-OG1 2.92Å
55	F	97	Very high	94.3	Very high	90 Å²	90	43.9 Å²	43.9	40%	0.395	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-50.9	-179.9	-179.6	-87.7	0	0	0	111.1	A51 R52 G57 T58 F59 L110	A51-F55 WeakPolarHBondContact O-CB 3.27Å; A51-F55 PolarHBondContact O-N 3.38Å; R52-F55 PolarHBondContact O-N 3.33Å; F55-G57 VanDerWaalsContact C-N 3.33Å; F55-G57 PolarHBondContact O-N 2.99Å; F55-T58 PolarHBondContact O-N 3.19Å; F55-F59 AromaticContact CD2-CD2 3.47Å; F55-F59 HydrophobicContact CD2-CD2 3.47Å; F55-F59 VanDerWaalsContact CD2-CD2 3.47Å; F55-F59 AromaticContact CD2-CE2 3.8Å; F55-F59 HydrophobicContact CD2-CE2 3.8Å; F55-F59 AromaticContact CE2-CD2 3.56Å; F55-F59 HydrophobicContact CE2-CD2 3.56Å; F55-F59 AromaticContact CE2-CE2 3.98Å; F55-F59 HydrophobicContact CE2-CE2 3.98Å; F55-F59 HydrophobicContact CE2-CG 4.29Å; F55-F59 AromaticContact CG-CD2 3.98Å; F55-F59 HydrophobicContact CG-CD2 3.98Å; F55-F59 HydrophobicContact CZ-CB 4.44Å; F55-F59 HydrophobicContact CZ-CD2 4.15Å; F55-F59 WeakPolarHBondContact O-CD2 3.41Å; F55-F59 PolarHBondContact O-N 3.28Å; F55-L110 HydrophobicContact CD1-CD1 3.79Å; F55-L110 HydrophobicContact CD1-CD2 4.36Å; F55-L110 HydrophobicContact CE1-CD1 4.38Å; F55-L110 HydrophobicContact CE1-CD2 4.36Å
56	I	96.4	Very high	94.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-43.9	179.3	-65.6	173.3	0	0	0	110.6	M25 R52 T58 Y60 V61 F103 L106 I107 L110	M25-I56 HydrophobicContact CE-CG2 4.23Å; M25-I56 HydrophobicContact SD-CG2 4.36Å; R52-I56 WeakPolarHBondContact O-CB 3.4Å; R52-I56 VanDerWaalsContact O-CG1 3.25Å; R52-I56 WeakPolarHBondContact O-CG1 3.17Å; R52-I56 PolarHBondContact O-N 2.97Å; I56-T58 VanDerWaalsContact C-N 3.35Å; I56-T58 PolarHBondContact O-N 3.17Å; I56-Y60 HydrophobicContact CG2-CD1 4.13Å; I56-Y60 WeakPolarHBondContact O-CA 3.29Å; I56-Y60 VanDerWaalsContact O-CB 3.31Å; I56-Y60 WeakPolarHBondContact O-CB 3.37Å; I56-Y60 PolarHBondContact O-N 3.48Å; I56-V61 HydrophobicContact CG2-CG2 4.1Å; I56-V61 PolarHBondContact O-N 3.33Å; I56-F103 HydrophobicContact CD1-CE2 4.3Å; I56-F103 HydrophobicContact CG2-CD2 3.53Å; I56-F103 HydrophobicContact CG2-CE2 3.6Å; I56-L106 HydrophobicContact CB-CD2 4.39Å; I56-L106 HydrophobicContact CD1-CG 4.38Å; I56-L106 HydrophobicContact CG1-CD2 3.78Å; I56-L106 HydrophobicContact CG1-CG 3.99Å; I56-L106 HydrophobicContact CG2-CD2 4.24Å; I56-I107 HydrophobicContact CD1-CB 4.45Å; I56-I107 HydrophobicContact CD1-CD1 4.49Å; I56-I107 HydrophobicContact CD1-CG1 3.44Å; I56-I107 VanDerWaalsContact CD1-CG1 3.44Å; I56-L110 HydrophobicContact CD1-CD1 3.91Å; I56-L110 HydrophobicContact CG1-CD1 3.63Å
57	G	95.2	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-60.1	-45.5	176.7	0	0	0	0	0	112.6	A21 M25 F53 L54 F55 G62	A21-G57 WeakPolarHBondContact CB-O 3.48Å; M25-G57 WeakPolarHBondContact SD-CA 3.44Å; M25-G57 PolarHBondContact SD-N 3.46Å; M25-G57 VanDerWaalsContact SD-N 3.44Å; F53-G57 PolarHBondContact O-N 2.94Å; L54-G57 PolarHBondContact O-N 3.2Å; F55-G57 VanDerWaalsContact C-N 3.33Å; F55-G57 PolarHBondContact O-N 2.99Å; G57-G62 PolarHBondContact O-N 3.4Å
58	T	95.9	Very high	94.5	Very high	25 Å²	25	42.5 Å²	42.5	15%	0.153	22%	0.22	C	C	.	.	I	π-helix	trans	-72.9	-46.4	-175.1	-55.1	0	0	0	0	112.6	M18 G22 L54 F55 I56 P63	M18-T58 HydrophobicContact CB-CG2 4.25Å; M18-T58 WeakPolarHBondContact CB-O 3.14Å; M18-T58 HydrophobicContact CE-CG2 4.22Å; M18-T58 VanDerWaalsContact CE-O 3.27Å; M18-T58 WeakPolarHBondContact CE-O 3.32Å; M18-T58 VanDerWaalsContact CG-O 3.27Å; M18-T58 WeakPolarHBondContact CG-O 3.36Å; M18-T58 WeakPolarHBondContact O-CA 3.3Å; G22-T58 WeakPolarHBondContact CA-OG1 3.46Å; L54-T58 VanDerWaalsContact O-CB 3.27Å; L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 3.46Å; L54-T58 PolarHBondContact O-OG1 2.92Å; F55-T58 PolarHBondContact O-N 3.19Å; I56-T58 VanDerWaalsContact C-N 3.35Å; I56-T58 PolarHBondContact O-N 3.17Å; T58-P63 WeakPolarHBondContact O-CD 3.34Å
59	F	96.2	Very high	94.4	Very high	123 Å²	123	41.3 Å²	41.3	54%	0.539	21%	0.213	S	C	.	.	I	π-helix	trans	-104.8	-16.2	-167.6	-63.6	-71.7	0	0	0	114.3	M18 F55	M18-F59 HydrophobicContact CE-CD1 3.79Å; M18-F59 HydrophobicContact CE-CE1 4.02Å; F55-F59 AromaticContact CD2-CD2 3.47Å; F55-F59 HydrophobicContact CD2-CD2 3.47Å; F55-F59 VanDerWaalsContact CD2-CD2 3.47Å; F55-F59 AromaticContact CD2-CE2 3.8Å; F55-F59 HydrophobicContact CD2-CE2 3.8Å; F55-F59 AromaticContact CE2-CD2 3.56Å; F55-F59 HydrophobicContact CE2-CD2 3.56Å; F55-F59 AromaticContact CE2-CE2 3.98Å; F55-F59 HydrophobicContact CE2-CE2 3.98Å; F55-F59 HydrophobicContact CE2-CG 4.29Å; F55-F59 AromaticContact CG-CD2 3.98Å; F55-F59 HydrophobicContact CG-CD2 3.98Å; F55-F59 HydrophobicContact CZ-CB 4.44Å; F55-F59 HydrophobicContact CZ-CD2 4.15Å; F55-F59 WeakPolarHBondContact O-CD2 3.41Å; F55-F59 PolarHBondContact O-N 3.28Å
60	Y	96.2	Very high	94.3	Very high	48 Å²	48	42.6 Å²	42.6	19%	0.188	22%	0.221	C	C	.	.	I	π-helix	trans	-113.8	-60.8	178.3	176.9	-107.4	0	0	0	111.8	I56 S64 S99 G102 F103 L106	I56-Y60 HydrophobicContact CG2-CD1 4.13Å; I56-Y60 WeakPolarHBondContact O-CA 3.29Å; I56-Y60 VanDerWaalsContact O-CB 3.31Å; I56-Y60 WeakPolarHBondContact O-CB 3.37Å; I56-Y60 PolarHBondContact O-N 3.48Å; Y60-S64 WeakPolarHBondContact O-CB 3.43Å; Y60-S64 PolarHBondContact O-N 3.26Å; Y60-S64 PolarHBondContact O-OG 3.42Å; Y60-S99 WeakPolarHBondContact OH-CA 3.26Å; Y60-S99 PolarHBondContact OH-O 3.24Å; Y60-G102 WeakPolarHBondContact OH-CA 3.4Å; Y60-F103 HydrophobicContact CE1-CB 4.05Å; Y60-L106 HydrophobicContact CD1-CD2 4.42Å; Y60-L106 HydrophobicContact CD2-CD2 4.46Å; Y60-L106 HydrophobicContact CG-CD2 3.94Å
61	V	94.4	Very high	94.3	Very high	28 Å²	28	46.9 Å²	46.9	17%	0.17	24%	0.239	C	C	.	.	I	π-helix	trans	-66.9	-48.2	-173.3	176	0	0	0	0	111.4	A21 M25 I56 S64 L65	A21-V61 HydrophobicContact CB-CG1 4.32Å; M25-V61 HydrophobicContact SD-CB 4.12Å; M25-V61 HydrophobicContact SD-CG2 3.63Å; I56-V61 HydrophobicContact CG2-CG2 4.1Å; I56-V61 PolarHBondContact O-N 3.33Å; V61-S64 PolarHBondContact O-N 3.2Å; V61-L65 HydrophobicContact CG1-CD1 3.57Å; V61-L65 HydrophobicContact CG1-CG 4.12Å; V61-L65 WeakPolarHBondContact O-CB 3.38Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 3.03Å
62	G	93.1	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.5	-56.5	179.3	0	0	0	0	0	113.7	G57 W66	G57-G62 PolarHBondContact O-N 3.4Å; G62-W66 WeakPolarHBondContact O-CB 3.31Å; G62-W66 PolarHBondContact O-N 3.36Å
63	P	94.1	Very high	93.8	Very high	41 Å²	41	48.7 Å²	48.7	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-41.5	177.4	-26.2	37.6	0	0	0	113	M18 T58 W66 A67	M18-P63 HydrophobicContact CE-CG 4.28Å; M18-P63 HydrophobicContact CG-CG 3.79Å; M18-P63 HydrophobicContact SD-CG 4.19Å; T58-P63 WeakPolarHBondContact O-CD 3.34Å; P63-W66 PolarHBondContact O-N 3.29Å; P63-A67 WeakPolarHBondContact O-CB 3.22Å; P63-A67 PolarHBondContact O-N 3.03Å
64	S	94.5	Very high	93.7	Very high	32 Å²	32	58.1 Å²	58.1	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-46	-179.6	-60.8	0	0	0	0	111.8	Y60 V61 A67 W68	Y60-S64 WeakPolarHBondContact O-CB 3.43Å; Y60-S64 PolarHBondContact O-N 3.26Å; Y60-S64 PolarHBondContact O-OG 3.42Å; V61-S64 PolarHBondContact O-N 3.2Å; S64-A67 PolarHBondContact O-N 2.94Å; S64-W68 VanDerWaalsContact O-CB 3.26Å; S64-W68 WeakPolarHBondContact O-CB 3.42Å; S64-W68 PolarHBondContact O-N 3.47Å
65	L	91.9	Very high	93.6	Very high	48 Å²	48	63.4 Å²	63.4	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-44.7	176.4	-75.1	174.2	0	0	0	111.9	V61 A67 W68 F69 F95	V61-L65 HydrophobicContact CG1-CD1 3.57Å; V61-L65 HydrophobicContact CG1-CG 4.12Å; V61-L65 WeakPolarHBondContact O-CB 3.38Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 3.03Å; L65-A67 PolarHBondContact O-N 3.12Å; L65-W68 PolarHBondContact O-N 3.26Å; L65-F69 HydrophobicContact CB-CD2 4.36Å; L65-F69 HydrophobicContact CB-CE2 4.16Å; L65-F69 HydrophobicContact CD2-CE2 4Å; L65-F69 HydrophobicContact CD2-CZ 4.22Å; L65-F69 WeakPolarHBondContact O-CB 3.43Å; L65-F69 WeakPolarHBondContact O-CD2 3.4Å; L65-F69 WeakPolarHBondContact O-CG 3.39Å; L65-F69 PolarHBondContact O-N 3.07Å; L65-F95 HydrophobicContact CD2-CE1 3.58Å; L65-F95 HydrophobicContact CD2-CZ 3.84Å; L65-F95 HydrophobicContact CG-CZ 4.38Å
66	W	91.6	Very high	93.4	Very high	92 Å²	92	59.6 Å²	59.6	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-60.1	-47	177.8	173.1	76.9	0	0	0	111.7	W14 Q17 G62 P63 T70	W14-W66 HydrophobicContact CB-CD2 3.57Å; W14-W66 HydrophobicContact CB-CE3 3.94Å; W14-W66 HydrophobicContact CB-CG 3.83Å; W14-W66 HydrophobicContact CB-CZ2 4.29Å; W14-W66 HydrophobicContact CB-CZ3 4.43Å; Q17-W66 HydrophobicContact CB-CB 4.24Å; Q17-W66 HydrophobicContact CG-CB 4.14Å; G62-W66 WeakPolarHBondContact O-CB 3.31Å; G62-W66 PolarHBondContact O-N 3.36Å; P63-W66 PolarHBondContact O-N 3.29Å; W66-T70 WeakPolarHBondContact O-CB 3.16Å; W66-T70 PolarHBondContact O-N 2.83Å; W66-T70 PolarHBondContact O-OG1 3.31Å
67	A	92.9	Very high	93.1	Very high	48 Å²	48	64 Å²	64	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-44.4	178.7	0	0	0	0	0	111.2	P63 S64 L65 T70 F71	P63-A67 WeakPolarHBondContact O-CB 3.22Å; P63-A67 PolarHBondContact O-N 3.03Å; S64-A67 PolarHBondContact O-N 2.94Å; L65-A67 PolarHBondContact O-N 3.12Å; A67-T70 PolarHBondContact O-N 3.21Å; A67-F71 WeakPolarHBondContact O-CB 3.46Å; A67-F71 PolarHBondContact O-N 2.95Å
68	W	94.2	Very high	92.7	Very high	30 Å²	30	66.3 Å²	66.3	11%	0.114	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-47.4	179.5	179.3	-117	0	0	0	113.1	S64 L65 T70 F71 L72 L90 D91 V94 F95	S64-W68 VanDerWaalsContact O-CB 3.26Å; S64-W68 WeakPolarHBondContact O-CB 3.42Å; S64-W68 PolarHBondContact O-N 3.47Å; L65-W68 PolarHBondContact O-N 3.26Å; W68-T70 VanDerWaalsContact C-N 3.35Å; W68-T70 PolarHBondContact O-N 2.92Å; W68-F71 HydrophobicContact CE3-CD1 4.02Å; W68-F71 HydrophobicContact CH2-CD1 4.4Å; W68-F71 HydrophobicContact CH2-CE1 4.38Å; W68-F71 AromaticContact CZ3-CD1 3.81Å; W68-F71 HydrophobicContact CZ3-CD1 3.81Å; W68-F71 AromaticContact CZ3-CE1 3.97Å; W68-F71 HydrophobicContact CZ3-CE1 3.97Å; W68-F71 WeakPolarHBondContact O-CB 3.37Å; W68-F71 PolarHBondContact O-N 3.28Å; W68-L72 HydrophobicContact CD2-CD1 4.41Å; W68-L72 HydrophobicContact CD2-CG 4.27Å; W68-L72 HydrophobicContact CH2-CD2 4.28Å; W68-L72 HydrophobicContact CZ2-CD1 3.96Å; W68-L72 HydrophobicContact CZ2-CD2 3.81Å; W68-L72 HydrophobicContact CZ2-CG 3.93Å; W68-L72 VanDerWaalsContact NE1-CD1 3.29Å; W68-L72 PolarHBondContact O-N 3.47Å; W68-L90 HydrophobicContact CZ2-CB 4.1Å; W68-L90 WeakPolarHBondContact CZ2-O 3.24Å; W68-D91 PolarHBondContact NE1-OD1 3.41Å; W68-V94 HydrophobicContact CH2-CB 4.05Å; W68-V94 HydrophobicContact CH2-CG1 4.06Å; W68-V94 HydrophobicContact CZ3-CG1 4.46Å; W68-F95 HydrophobicContact CB-CD2 3.65Å; W68-F95 HydrophobicContact CB-CE2 3.6Å; W68-F95 HydrophobicContact CB-CG 4.21Å; W68-F95 HydrophobicContact CB-CZ 4.13Å; W68-F95 AromaticContact CD1-CD1 3.66Å; W68-F95 AromaticContact CD1-CD2 3.87Å; W68-F95 AromaticContact CD1-CG 3.51Å; W68-F95 HydrophobicContact CD2-CB 3.52Å; W68-F95 AromaticContact CD2-CD2 3.58Å; W68-F95 HydrophobicContact CD2-CD2 3.58Å; W68-F95 HydrophobicContact CD2-CE2 4.44Å; W68-F95 AromaticContact CD2-CG 3.63Å; W68-F95 HydrophobicContact CD2-CG 3.63Å; W68-F95 AromaticContact CE2-CG 3.73Å; W68-F95 HydrophobicContact CE3-CB 4.01Å; W68-F95 AromaticContact CE3-CD2 3.93Å; W68-F95 HydrophobicContact CE3-CD2 3.93Å; W68-F95 HydrophobicContact CE3-CG 4.28Å; W68-F95 HydrophobicContact CG-CB 3.97Å; W68-F95 HydrophobicContact CG-CD1 4.08Å; W68-F95 AromaticContact CG-CD2 3.42Å; W68-F95 HydrophobicContact CG-CD2 3.42Å; W68-F95 VanDerWaalsContact CG-CD2 3.42Å; W68-F95 HydrophobicContact CG-CE1 4.47Å; W68-F95 AromaticContact CG-CE2 3.87Å; W68-F95 HydrophobicContact CG-CE2 3.87Å; W68-F95 AromaticContact CG-CG 3.54Å; W68-F95 HydrophobicContact CG-CG 3.54Å; W68-F95 HydrophobicContact CG-CZ 4.37Å; W68-F95 HydrophobicContact CH2-CB 3.97Å; W68-F95 HydrophobicContact CZ2-CB 3.47Å; W68-F95 VanDerWaalsContact CZ2-CB 3.47Å; W68-F95 HydrophobicContact CZ2-CG 4.45Å; W68-F95 HydrophobicContact CZ3-CB 4.21Å; W68-F95 AromaticContact NE1-CD1 3.87Å; W68-F95 AromaticContact NE1-CG 3.57Å
69	F	90.4	Very high	92.2	Very high	97 Å²	97	71 Å²	71	43%	0.425	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-40.2	177.7	-69.9	-46.5	0	0	0	111.9	L65 F71 L72 E73	L65-F69 HydrophobicContact CB-CD2 4.36Å; L65-F69 HydrophobicContact CB-CE2 4.16Å; L65-F69 HydrophobicContact CD2-CE2 4Å; L65-F69 HydrophobicContact CD2-CZ 4.22Å; L65-F69 WeakPolarHBondContact O-CB 3.43Å; L65-F69 WeakPolarHBondContact O-CD2 3.4Å; L65-F69 WeakPolarHBondContact O-CG 3.39Å; L65-F69 PolarHBondContact O-N 3.07Å; F69-F71 VanDerWaalsContact C-N 3.28Å; F69-F71 PolarHBondContact O-N 3.44Å; F69-L72 PolarHBondContact O-N 2.98Å; F69-E73 WeakPolarHBondContact O-CB 3.38Å; F69-E73 WeakPolarHBondContact O-CG 3.46Å; F69-E73 PolarHBondContact O-N 2.92Å
70	T	90.2	Very high	91.8	Very high	28 Å²	28	69.3 Å²	69.3	17%	0.172	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-39.9	173.8	-57.3	0	0	0	0	111.3	W66 A67 W68 R74	W66-T70 WeakPolarHBondContact O-CB 3.16Å; W66-T70 PolarHBondContact O-N 2.83Å; W66-T70 PolarHBondContact O-OG1 3.31Å; A67-T70 PolarHBondContact O-N 3.21Å; W68-T70 VanDerWaalsContact C-N 3.35Å; W68-T70 PolarHBondContact O-N 2.92Å; T70-R74 VanDerWaalsContact O-CG 3.32Å; T70-R74 WeakPolarHBondContact O-CG 3.42Å; T70-R74 PolarHBondContact O-N 2.97Å
71	F	93.3	Very high	91.2	Very high	96 Å²	96	72.4 Å²	72.4	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-48.3	175.2	172.7	-94.8	0	0	0	111.9	A67 W68 F69 E73 R74 R75	A67-F71 WeakPolarHBondContact O-CB 3.46Å; A67-F71 PolarHBondContact O-N 2.95Å; W68-F71 HydrophobicContact CE3-CD1 4.02Å; W68-F71 HydrophobicContact CH2-CD1 4.4Å; W68-F71 HydrophobicContact CH2-CE1 4.38Å; W68-F71 AromaticContact CZ3-CD1 3.81Å; W68-F71 HydrophobicContact CZ3-CD1 3.81Å; W68-F71 AromaticContact CZ3-CE1 3.97Å; W68-F71 HydrophobicContact CZ3-CE1 3.97Å; W68-F71 WeakPolarHBondContact O-CB 3.37Å; W68-F71 PolarHBondContact O-N 3.28Å; F69-F71 VanDerWaalsContact C-N 3.28Å; F69-F71 PolarHBondContact O-N 3.44Å; F71-E73 PolarHBondContact O-N 3.2Å; F71-R74 PolarHBondContact O-N 3.38Å; F71-R75 HydrophobicContact CD1-CG 4.4Å; F71-R75 HydrophobicContact CD2-CG 3.92Å; F71-R75 HydrophobicContact CE1-CG 4.12Å; F71-R75 HydrophobicContact CE2-CG 3.62Å; F71-R75 HydrophobicContact CG-CG 4.31Å; F71-R75 HydrophobicContact CZ-CB 4.5Å; F71-R75 HydrophobicContact CZ-CG 3.73Å; F71-R75 WeakPolarHBondContact O-CB 3.25Å; F71-R75 WeakPolarHBondContact O-CG 3.48Å; F71-R75 PolarHBondContact O-N 3.03Å
72	L	91.5	Very high	91	Very high	6 Å²	6	73.5 Å²	73.5	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-62.6	-40	178.8	-76.9	-178	0	0	0	112.6	W68 F69 R74 R75 V76 R87 L90	W68-L72 HydrophobicContact CD2-CD1 4.41Å; W68-L72 HydrophobicContact CD2-CG 4.27Å; W68-L72 HydrophobicContact CH2-CD2 4.28Å; W68-L72 HydrophobicContact CZ2-CD1 3.96Å; W68-L72 HydrophobicContact CZ2-CD2 3.81Å; W68-L72 HydrophobicContact CZ2-CG 3.93Å; W68-L72 VanDerWaalsContact NE1-CD1 3.29Å; W68-L72 PolarHBondContact O-N 3.47Å; F69-L72 PolarHBondContact O-N 2.98Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 3.21Å; L72-R75 PolarHBondContact O-N 3.34Å; L72-V76 WeakPolarHBondContact O-CA 3.3Å; L72-V76 PolarHBondContact O-N 3.13Å; L72-R87 HydrophobicContact CB-CG 4.47Å; L72-R87 HydrophobicContact CD1-CB 4.34Å; L72-L90 HydrophobicContact CD2-CB 3.85Å; L72-L90 HydrophobicContact CD2-CD1 3.65Å; L72-L90 HydrophobicContact CD2-CG 4.42Å
73	E	89.3	Confident	90.8	Very high	117 Å²	117	74.7 Å²	74.7	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-39.9	177.1	-77.1	179.9	174.8	0	0	112.2	F69 F71	F69-E73 WeakPolarHBondContact O-CB 3.38Å; F69-E73 WeakPolarHBondContact O-CG 3.46Å; F69-E73 PolarHBondContact O-N 2.92Å; F71-E73 PolarHBondContact O-N 3.2Å
74	R	92.4	Very high	90.5	Very high	200 Å²	200	73.9 Å²	73.9	76%	0.755	40%	0.4	S	S	*	.	H	α-helix	trans	-75	-38.3	178.1	-69.9	174.6	-178.1	-177.8	0.7	113.1	T70 F71 L72	T70-R74 VanDerWaalsContact O-CG 3.32Å; T70-R74 WeakPolarHBondContact O-CG 3.42Å; T70-R74 PolarHBondContact O-N 2.97Å; F71-R74 PolarHBondContact O-N 3.38Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 3.21Å
75	R	94.3	Very high	90.3	Very high	181 Å²	181	75.1 Å²	75.1	68%	0.683	41%	0.406	S	S	*	.	H	α-helix	trans	-89.5	-24.3	-173.6	-65.8	-62.2	-172.9	160.2	0.3	114	F71 L72 P77	F71-R75 HydrophobicContact CD1-CG 4.4Å; F71-R75 HydrophobicContact CD2-CG 3.92Å; F71-R75 HydrophobicContact CE1-CG 4.12Å; F71-R75 HydrophobicContact CE2-CG 3.62Å; F71-R75 HydrophobicContact CG-CG 4.31Å; F71-R75 HydrophobicContact CZ-CB 4.5Å; F71-R75 HydrophobicContact CZ-CG 3.73Å; F71-R75 WeakPolarHBondContact O-CB 3.25Å; F71-R75 WeakPolarHBondContact O-CG 3.48Å; F71-R75 PolarHBondContact O-N 3.03Å; L72-R75 PolarHBondContact O-N 3.34Å; R75-P77 VanDerWaalsContact C-CD 3.47Å
76	V	92.9	Very high	90.3	Very high	10 Å²	10	78.6 Å²	78.6	6%	0.061	42%	0.419	C	S	.	.	S	Bend	trans	-129.2	69.1	177.9	-165.1	0	0	0	0	108.8	L72 V83 K86 R87 L90	L72-V76 WeakPolarHBondContact O-CA 3.3Å; L72-V76 PolarHBondContact O-N 3.13Å; V76-V83 HydrophobicContact CG1-CG1 3.98Å; V76-K86 HydrophobicContact CG1-CB 4.39Å; V76-K86 HydrophobicContact CG1-CD 3.73Å; V76-K86 HydrophobicContact CG1-CG 4.1Å; V76-K86 HydrophobicContact CG2-CD 4.48Å; V76-R87 HydrophobicContact CB-CG 4.08Å; V76-R87 HydrophobicContact CG1-CG 4.23Å; V76-R87 VanDerWaalsContact O-CZ 3.26Å; V76-R87 PolarHBondContact O-NE 3.41Å; V76-R87 PolarHBondContact O-NH2 3.35Å; V76-L90 HydrophobicContact CG2-CD1 3.74Å
77	P	90.4	Very high	90.3	Very high	94 Å²	94	77.1 Å²	77.1	61%	0.61	41%	0.413	S	S	*	.			trans	-68	157.3	-179.7	30.2	-35.9	0	0	0	111.6	R75	R75-P77 VanDerWaalsContact C-CD 3.47Å
78	G	87.8	Confident	90.2	Very high	48 Å²	48	75.8 Å²	75.8	50%	0.495	40%	0.399	S	S	.	.			trans	115.6	173.3	178.6	0	0	0	0	0	113.7	V83	G78-V83 WeakPolarHBondContact O-CG1 3.31Å
79	S	83.8	Confident	90.1	Very high	123 Å²	123	78.1 Å²	78.1	86%	0.86	41%	0.412	S	S	*	.			trans	-130.8	8.1	-172.3	54.7	0	0	0	0	113.4
80	T	87.9	Confident	90.4	Very high	88 Å²	88	76 Å²	76	54%	0.54	41%	0.405	S	S	.	.	S	Bend	trans	-73	158.2	178.9	67.4	0	0	0	0	111.2	G82 V83 A84	T80-G82 PolarHBondContact O-N 3.26Å; T80-V83 WeakPolarHBondContact O-CB 3.44Å; T80-V83 PolarHBondContact O-N 3.49Å; T80-V83 VanDerWaalsContact O-N 3.07Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.29Å; T80-V83 PolarHBondContact OG1-N 3.29Å; T80-A84 PolarHBondContact O-N 3.05Å
81	I	84.6	Confident	90.5	Very high	114 Å²	114	76 Å²	76	59%	0.585	40%	0.404	S	S	*	.	H	α-helix	trans	-56.7	-39.4	174.1	-64.3	169.2	0	0	0	110.5	V83 A84 V85	I81-V83 VanDerWaalsContact C-N 3.33Å; I81-V83 PolarHBondContact O-N 3.2Å; I81-A84 WeakPolarHBondContact O-CB 3.48Å; I81-A84 PolarHBondContact O-N 2.95Å; I81-A84 VanDerWaalsContact O-N 3.11Å; I81-V85 HydrophobicContact CG2-CG2 4.26Å; I81-V85 WeakPolarHBondContact O-CG2 3.17Å; I81-V85 PolarHBondContact O-N 2.81Å
82	G	89.7	Confident	90.6	Very high	51 Å²	51	71.8 Å²	71.8	53%	0.526	39%	0.386	S	S	.	.	H	α-helix	trans	-60.4	-39.2	176.1	0	0	0	0	0	113.3	T80 K86	T80-G82 PolarHBondContact O-N 3.26Å; G82-K86 WeakPolarHBondContact O-CB 3.35Å; G82-K86 PolarHBondContact O-N 2.89Å
83	V	90.3	Very high	90.8	Very high	24 Å²	24	76.7 Å²	76.7	15%	0.145	41%	0.411	C	S	.	.	H	α-helix	trans	-65.3	-42.7	172.8	167.1	0	0	0	0	111.1	V76 G78 T80 I81 K86 R87	V76-V83 HydrophobicContact CG1-CG1 3.98Å; G78-V83 WeakPolarHBondContact O-CG1 3.31Å; T80-V83 WeakPolarHBondContact O-CB 3.44Å; T80-V83 PolarHBondContact O-N 3.49Å; T80-V83 VanDerWaalsContact O-N 3.07Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.29Å; T80-V83 PolarHBondContact OG1-N 3.29Å; I81-V83 VanDerWaalsContact C-N 3.33Å; I81-V83 PolarHBondContact O-N 3.2Å; V83-K86 PolarHBondContact O-N 3.04Å; V83-R87 HydrophobicContact CG1-CG 4.43Å; V83-R87 WeakPolarHBondContact O-CG 3.49Å; V83-R87 PolarHBondContact O-N 2.91Å
84	A	86.8	Confident	91.1	Very high	25 Å²	25	74.1 Å²	74.1	21%	0.207	40%	0.403	C	S	.	.	H	α-helix	trans	-62.2	-44.9	178	0	0	0	0	0	112.1	T80 I81 R87 M88 F145	T80-A84 PolarHBondContact O-N 3.05Å; I81-A84 WeakPolarHBondContact O-CB 3.48Å; I81-A84 PolarHBondContact O-N 2.95Å; I81-A84 VanDerWaalsContact O-N 3.11Å; A84-R87 PolarHBondContact O-N 3.4Å; A84-M88 WeakPolarHBondContact O-CB 3.33Å; A84-M88 PolarHBondContact O-N 2.89Å; A84-F145 HydrophobicContact CB-CE1 3.97Å; A84-F145 HydrophobicContact CB-CE2 4.16Å; A84-F145 HydrophobicContact CB-CZ 3.7Å
85	V	89.2	Confident	91.3	Very high	58 Å²	58	65.9 Å²	65.9	35%	0.352	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-44	174.9	173.2	0	0	0	0	110.8	I81 R87 M88 M89	I81-V85 HydrophobicContact CG2-CG2 4.26Å; I81-V85 WeakPolarHBondContact O-CG2 3.17Å; I81-V85 PolarHBondContact O-N 2.81Å; V85-R87 PolarHBondContact O-N 3.38Å; V85-M88 WeakPolarHBondContact O-CB 3.49Å; V85-M88 PolarHBondContact O-N 2.92Å; V85-M89 HydrophobicContact CG1-CG 4.45Å; V85-M89 WeakPolarHBondContact O-CG 3.05Å; V85-M89 PolarHBondContact O-N 3.36Å
86	K	92.6	Very high	91.3	Very high	120 Å²	120	57.5 Å²	57.5	52%	0.522	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-44.9	176.9	-177.5	173.1	175.9	-178	0	112.2	V76 G82 V83 M88 M89 L90	V76-K86 HydrophobicContact CG1-CB 4.39Å; V76-K86 HydrophobicContact CG1-CD 3.73Å; V76-K86 HydrophobicContact CG1-CG 4.1Å; V76-K86 HydrophobicContact CG2-CD 4.48Å; G82-K86 WeakPolarHBondContact O-CB 3.35Å; G82-K86 PolarHBondContact O-N 2.89Å; V83-K86 PolarHBondContact O-N 3.04Å; K86-M88 VanDerWaalsContact C-N 3.35Å; K86-M89 PolarHBondContact O-N 2.97Å; K86-L90 HydrophobicContact CG-CD1 4.4Å; K86-L90 WeakPolarHBondContact O-CG 3.16Å; K86-L90 PolarHBondContact O-N 2.95Å
87	R	92.3	Very high	91.4	Very high	62 Å²	62	58 Å²	58	23%	0.234	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-42.7	176	-73.2	178.9	-179	-171.5	3.4	111.4	L72 V76 V83 A84 V85 L90 D91	L72-R87 HydrophobicContact CB-CG 4.47Å; L72-R87 HydrophobicContact CD1-CB 4.34Å; V76-R87 HydrophobicContact CB-CG 4.08Å; V76-R87 HydrophobicContact CG1-CG 4.23Å; V76-R87 VanDerWaalsContact O-CZ 3.26Å; V76-R87 PolarHBondContact O-NE 3.41Å; V76-R87 PolarHBondContact O-NH2 3.35Å; V83-R87 HydrophobicContact CG1-CG 4.43Å; V83-R87 WeakPolarHBondContact O-CG 3.49Å; V83-R87 PolarHBondContact O-N 2.91Å; A84-R87 PolarHBondContact O-N 3.4Å; V85-R87 PolarHBondContact O-N 3.38Å; R87-L90 PolarHBondContact O-N 3.24Å; R87-D91 WeakPolarHBondContact O-CB 3.32Å; R87-D91 PolarHBondContact O-N 3.3Å
88	M	90.8	Very high	91.7	Very high	19 Å²	19	58.8 Å²	58.8	9%	0.094	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-45.7	174.6	177.4	-177.9	78.5	0	0	111.9	A84 V85 K86 L90 D91 Q92 Q141	A84-M88 WeakPolarHBondContact O-CB 3.33Å; A84-M88 PolarHBondContact O-N 2.89Å; V85-M88 WeakPolarHBondContact O-CB 3.49Å; V85-M88 PolarHBondContact O-N 2.92Å; K86-M88 VanDerWaalsContact C-N 3.35Å; M88-L90 PolarHBondContact O-N 2.92Å; M88-D91 WeakPolarHBondContact O-CB 3.36Å; M88-D91 PolarHBondContact O-N 3.47Å; M88-Q92 HydrophobicContact CG-CG 4.34Å; M88-Q92 WeakPolarHBondContact O-CB 3.26Å; M88-Q92 VanDerWaalsContact O-CG 3.23Å; M88-Q92 WeakPolarHBondContact O-CG 3.37Å; M88-Q92 PolarHBondContact O-N 2.68Å; M88-Q141 HydrophobicContact CG-CB 4.36Å; M88-Q141 HydrophobicContact CG-CG 4.34Å; M88-Q141 HydrophobicContact SD-CB 3.32Å; M88-Q141 WeakPolarHBondContact SD-CB 3.33Å; M88-Q141 HydrophobicContact SD-CG 3.91Å
89	M	92.7	Very high	92.1	Very high	80 Å²	80	57.3 Å²	57.3	39%	0.394	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-43.7	178	-70.6	-64.6	115.3	0	0	111.9	V85 K86 D91 Q92 L93	V85-M89 HydrophobicContact CG1-CG 4.45Å; V85-M89 WeakPolarHBondContact O-CG 3.05Å; V85-M89 PolarHBondContact O-N 3.36Å; K86-M89 PolarHBondContact O-N 2.97Å; M89-D91 VanDerWaalsContact C-N 3.34Å; M89-D91 PolarHBondContact O-N 3.02Å; M89-Q92 PolarHBondContact O-N 3.45Å; M89-L93 VanDerWaalsContact O-CB 3.25Å; M89-L93 WeakPolarHBondContact O-CB 3.07Å; M89-L93 VanDerWaalsContact O-CG 3.26Å; M89-L93 WeakPolarHBondContact O-CG 3.46Å; M89-L93 PolarHBondContact O-N 3.48Å
90	L	95.3	Very high	92.6	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.277	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-42.6	175.3	-71.2	170.3	0	0	0	111.8	W68 L72 V76 K86 R87 M88 Q92 V94 F95	W68-L90 HydrophobicContact CZ2-CB 4.1Å; W68-L90 WeakPolarHBondContact CZ2-O 3.24Å; L72-L90 HydrophobicContact CD2-CB 3.85Å; L72-L90 HydrophobicContact CD2-CD1 3.65Å; L72-L90 HydrophobicContact CD2-CG 4.42Å; V76-L90 HydrophobicContact CG2-CD1 3.74Å; K86-L90 HydrophobicContact CG-CD1 4.4Å; K86-L90 WeakPolarHBondContact O-CG 3.16Å; K86-L90 PolarHBondContact O-N 2.95Å; R87-L90 PolarHBondContact O-N 3.24Å; M88-L90 PolarHBondContact O-N 2.92Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.04Å; L90-V94 HydrophobicContact CD2-CG2 4.27Å; L90-V94 WeakPolarHBondContact O-CA 3.3Å; L90-V94 VanDerWaalsContact O-CB 3.25Å; L90-V94 WeakPolarHBondContact O-CB 3.07Å; L90-V94 PolarHBondContact O-N 2.86Å; L90-F95 PolarHBondContact O-N 2.97Å
91	D	93.6	Very high	93	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.15	28%	0.282	C	S	.	.	I	π-helix	trans	-59.1	-46.8	177.5	-175.7	72.3	0	0	0	111.6	W68 R87 M88 M89 F95 A96	W68-D91 PolarHBondContact NE1-OD1 3.41Å; R87-D91 WeakPolarHBondContact O-CB 3.32Å; R87-D91 PolarHBondContact O-N 3.3Å; M88-D91 WeakPolarHBondContact O-CB 3.36Å; M88-D91 PolarHBondContact O-N 3.47Å; M89-D91 VanDerWaalsContact C-N 3.34Å; M89-D91 PolarHBondContact O-N 3.02Å; D91-F95 PolarHBondContact O-N 2.95Å; D91-A96 WeakPolarHBondContact O-CB 3.4Å; D91-A96 PolarHBondContact O-N 3.32Å
92	Q	94.4	Very high	93.6	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.033	27%	0.265	C	S	.	.	I	π-helix	trans	-77.5	-34.7	-175.7	-62.5	-60.9	-58.4	0	0	113.4	M88 M89 L90 P97 Y130 N133 L134 P138	M88-Q92 HydrophobicContact CG-CG 4.34Å; M88-Q92 WeakPolarHBondContact O-CB 3.26Å; M88-Q92 VanDerWaalsContact O-CG 3.23Å; M88-Q92 WeakPolarHBondContact O-CG 3.37Å; M88-Q92 PolarHBondContact O-N 2.68Å; M89-Q92 PolarHBondContact O-N 3.45Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.04Å; Q92-P97 WeakPolarHBondContact O-CD 3.19Å; Q92-Y130 WeakPolarHBondContact O-CE2 3.25Å; Q92-Y130 PolarHBondContact O-OH 3.38Å; Q92-N133 PolarHBondContact OE1-ND2 3.03Å; Q92-L134 HydrophobicContact CB-CD2 3.92Å; Q92-P138 HydrophobicContact CG-CG 4.14Å
93	L	95.1	Very high	93.9	Very high	109 Å²	109	45.3 Å²	45.3	57%	0.571	24%	0.242	S	C	*	.	I	π-helix	trans	-94	-23.3	-174.7	-61.3	176.3	0	0	0	114	M89 P97	M89-L93 VanDerWaalsContact O-CB 3.25Å; M89-L93 WeakPolarHBondContact O-CB 3.07Å; M89-L93 VanDerWaalsContact O-CG 3.26Å; M89-L93 WeakPolarHBondContact O-CG 3.46Å; M89-L93 PolarHBondContact O-N 3.48Å; L93-P97 WeakPolarHBondContact O-CG 3.29Å
94	V	96.1	Very high	94.1	Very high	63 Å²	63	44.2 Å²	44.2	38%	0.382	24%	0.235	S	C	.	.	I	π-helix	trans	-113.9	-57.7	-176.5	-175.3	0	0	0	0	110.6	W68 L90 P97 I98	W68-V94 HydrophobicContact CH2-CB 4.05Å; W68-V94 HydrophobicContact CH2-CG1 4.06Å; W68-V94 HydrophobicContact CZ3-CG1 4.46Å; L90-V94 HydrophobicContact CD2-CG2 4.27Å; L90-V94 WeakPolarHBondContact O-CA 3.3Å; L90-V94 VanDerWaalsContact O-CB 3.25Å; L90-V94 WeakPolarHBondContact O-CB 3.07Å; L90-V94 PolarHBondContact O-N 2.86Å; V94-P97 WeakPolarHBondContact O-CD 3.22Å; V94-P97 WeakPolarHBondContact O-CG 3.49Å; V94-I98 HydrophobicContact CG1-CD1 4.29Å; V94-I98 WeakPolarHBondContact O-CD1 3.42Å; V94-I98 WeakPolarHBondContact O-CG1 3.34Å
95	F	95.9	Very high	94.5	Very high	26 Å²	26	44.6 Å²	44.6	11%	0.114	24%	0.236	C	C	.	.	I	π-helix	trans	-75.4	-47.6	-172.3	174.9	-102.7	0	0	0	113.1	L65 W68 L90 D91 I98 S99	L65-F95 HydrophobicContact CD2-CE1 3.58Å; L65-F95 HydrophobicContact CD2-CZ 3.84Å; L65-F95 HydrophobicContact CG-CZ 4.38Å; W68-F95 HydrophobicContact CB-CD2 3.65Å; W68-F95 HydrophobicContact CB-CE2 3.6Å; W68-F95 HydrophobicContact CB-CG 4.21Å; W68-F95 HydrophobicContact CB-CZ 4.13Å; W68-F95 AromaticContact CD1-CD1 3.66Å; W68-F95 AromaticContact CD1-CD2 3.87Å; W68-F95 AromaticContact CD1-CG 3.51Å; W68-F95 HydrophobicContact CD2-CB 3.52Å; W68-F95 AromaticContact CD2-CD2 3.58Å; W68-F95 HydrophobicContact CD2-CD2 3.58Å; W68-F95 HydrophobicContact CD2-CE2 4.44Å; W68-F95 AromaticContact CD2-CG 3.63Å; W68-F95 HydrophobicContact CD2-CG 3.63Å; W68-F95 AromaticContact CE2-CG 3.73Å; W68-F95 HydrophobicContact CE3-CB 4.01Å; W68-F95 AromaticContact CE3-CD2 3.93Å; W68-F95 HydrophobicContact CE3-CD2 3.93Å; W68-F95 HydrophobicContact CE3-CG 4.28Å; W68-F95 HydrophobicContact CG-CB 3.97Å; W68-F95 HydrophobicContact CG-CD1 4.08Å; W68-F95 AromaticContact CG-CD2 3.42Å; W68-F95 HydrophobicContact CG-CD2 3.42Å; W68-F95 VanDerWaalsContact CG-CD2 3.42Å; W68-F95 HydrophobicContact CG-CE1 4.47Å; W68-F95 AromaticContact CG-CE2 3.87Å; W68-F95 HydrophobicContact CG-CE2 3.87Å; W68-F95 AromaticContact CG-CG 3.54Å; W68-F95 HydrophobicContact CG-CG 3.54Å; W68-F95 HydrophobicContact CG-CZ 4.37Å; W68-F95 HydrophobicContact CH2-CB 3.97Å; W68-F95 HydrophobicContact CZ2-CB 3.47Å; W68-F95 VanDerWaalsContact CZ2-CB 3.47Å; W68-F95 HydrophobicContact CZ2-CG 4.45Å; W68-F95 HydrophobicContact CZ3-CB 4.21Å; W68-F95 AromaticContact NE1-CD1 3.87Å; W68-F95 AromaticContact NE1-CG 3.57Å; L90-F95 PolarHBondContact O-N 2.97Å; D91-F95 PolarHBondContact O-N 2.95Å; F95-I98 PolarHBondContact O-N 2.84Å; F95-S99 WeakPolarHBondContact O-CB 3.26Å; F95-S99 PolarHBondContact O-N 2.87Å
96	A	94.3	Very high	94.8	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-53.3	-51.3	-179.6	0	0	0	0	0	113.1	D91 I98 S99 Y100 Y130	D91-A96 WeakPolarHBondContact O-CB 3.4Å; D91-A96 PolarHBondContact O-N 3.32Å; A96-I98 PolarHBondContact O-N 3.45Å; A96-S99 PolarHBondContact O-N 3.43Å; A96-Y100 HydrophobicContact CB-CD2 4.33Å; A96-Y100 HydrophobicContact CB-CE2 4.19Å; A96-Y100 WeakPolarHBondContact O-CD2 3.42Å; A96-Y100 PolarHBondContact O-N 2.89Å; A96-Y130 HydrophobicContact CB-CD2 4.44Å; A96-Y130 HydrophobicContact CB-CE2 4.03Å
97	P	95.9	Very high	94.9	Very high	22 Å²	22	38.3 Å²	38.3	14%	0.143	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-43.5	179.6	23.2	-32.6	0	0	0	112.4	Q92 L93 V94 S99 Y100 L101 F126 Y130	Q92-P97 WeakPolarHBondContact O-CD 3.19Å; L93-P97 WeakPolarHBondContact O-CG 3.29Å; V94-P97 WeakPolarHBondContact O-CD 3.22Å; V94-P97 WeakPolarHBondContact O-CG 3.49Å; P97-S99 VanDerWaalsContact C-N 3.34Å; P97-S99 PolarHBondContact O-N 3.43Å; P97-Y100 PolarHBondContact O-N 3.36Å; P97-L101 VanDerWaalsContact O-CG 3.28Å; P97-L101 WeakPolarHBondContact O-CG 3.41Å; P97-L101 PolarHBondContact O-N 3.34Å; P97-F126 HydrophobicContact CB-CE2 4.32Å; P97-F126 HydrophobicContact CB-CZ 3.94Å; P97-F126 WeakPolarHBondContact O-CE2 3.48Å; P97-Y130 HydrophobicContact CB-CE2 4.16Å; P97-Y130 HydrophobicContact CG-CE2 4.35Å
98	I	96.7	Very high	94.9	Very high	110 Å²	110	35.4 Å²	35.4	56%	0.564	20%	0.195	S	C	*	.	H	α-helix	trans	-62.6	-43.6	177.5	-63.7	170.3	0	0	0	110.7	V94 F95 A96 L101 G102	V94-I98 HydrophobicContact CG1-CD1 4.29Å; V94-I98 WeakPolarHBondContact O-CD1 3.42Å; V94-I98 WeakPolarHBondContact O-CG1 3.34Å; F95-I98 PolarHBondContact O-N 2.84Å; A96-I98 PolarHBondContact O-N 3.45Å; I98-L101 PolarHBondContact O-N 2.71Å; I98-G102 PolarHBondContact O-N 2.87Å; I98-G102 VanDerWaalsContact O-N 3.07Å
99	S	95.5	Very high	95.1	Very high	17 Å²	17	40.7 Å²	40.7	12%	0.119	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-41.2	-179.2	-173.6	0	0	0	0	111.8	Y60 F95 A96 P97 G102 F103	Y60-S99 WeakPolarHBondContact OH-CA 3.26Å; Y60-S99 PolarHBondContact OH-O 3.24Å; F95-S99 WeakPolarHBondContact O-CB 3.26Å; F95-S99 PolarHBondContact O-N 2.87Å; A96-S99 PolarHBondContact O-N 3.43Å; P97-S99 VanDerWaalsContact C-N 3.34Å; P97-S99 PolarHBondContact O-N 3.43Å; S99-G102 PolarHBondContact O-N 2.96Å; S99-F103 WeakPolarHBondContact O-CB 3.29Å; S99-F103 PolarHBondContact O-N 2.97Å
100	Y	95.4	Very high	95.2	Very high	22 Å²	22	39.3 Å²	39.3	9%	0.086	21%	0.211	C	C	.	.	H	α-helix	trans	-71.7	-35.9	177.7	-75.7	-60.5	0	0	0	113.1	A96 P97 F103 L104 V129 Y130 N133 W164 L168	A96-Y100 HydrophobicContact CB-CD2 4.33Å; A96-Y100 HydrophobicContact CB-CE2 4.19Å; A96-Y100 WeakPolarHBondContact O-CD2 3.42Å; A96-Y100 PolarHBondContact O-N 2.89Å; P97-Y100 PolarHBondContact O-N 3.36Å; Y100-F103 HydrophobicContact CD1-CD1 4.46Å; Y100-F103 PolarHBondContact O-N 3.39Å; Y100-L104 WeakPolarHBondContact O-CB 3.44Å; Y100-L104 WeakPolarHBondContact O-CG 3.4Å; Y100-L104 PolarHBondContact O-N 2.83Å; Y100-V129 HydrophobicContact CD1-CG1 3.51Å; Y100-V129 HydrophobicContact CE1-CG1 3.59Å; Y100-V129 HydrophobicContact CG-CG1 4.08Å; Y100-Y130 HydrophobicContact CD2-CD2 4.27Å; Y100-N133 HydrophobicContact CE2-CB 3.7Å; Y100-N133 VanDerWaalsContact CE2-CG 3.41Å; Y100-N133 WeakPolarHBondContact CE2-OD1 3.34Å; Y100-N133 PolarHBondContact OH-OD1 2.97Å; Y100-W164 HydrophobicContact CE1-CZ2 4.34Å; Y100-W164 AromaticContact CZ-CZ2 3.89Å; Y100-W164 VanDerWaalsContact OH-CE2 3.3Å; Y100-W164 WeakPolarHBondContact OH-CZ2 3.37Å; Y100-W164 PolarHBondContact OH-NE1 3.17Å; Y100-L168 HydrophobicContact CE1-CD1 4.32Å; Y100-L168 HydrophobicContact CE1-CD2 4.07Å
101	L	96.6	Very high	95	Very high	73 Å²	73	39.2 Å²	39.2	38%	0.382	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-49.1	172.1	-72.6	171.5	0	0	0	111	P97 I98 S105 V122 F126	P97-L101 VanDerWaalsContact O-CG 3.28Å; P97-L101 WeakPolarHBondContact O-CG 3.41Å; P97-L101 PolarHBondContact O-N 3.34Å; I98-L101 PolarHBondContact O-N 2.71Å; L101-S105 VanDerWaalsContact O-CB 3.3Å; L101-S105 WeakPolarHBondContact O-CB 3.27Å; L101-S105 PolarHBondContact O-N 3.44Å; L101-S105 PolarHBondContact O-OG 2.87Å; L101-V122 HydrophobicContact CD2-CG1 3.58Å; L101-F126 HydrophobicContact CD1-CE2 4.45Å; L101-F126 HydrophobicContact CD2-CD2 3.56Å; L101-F126 HydrophobicContact CD2-CE2 3.82Å; L101-F126 HydrophobicContact CD2-CG 4.04Å; L101-F126 HydrophobicContact CD2-CZ 4.49Å; L101-F126 HydrophobicContact CG-CD2 3.84Å; L101-F126 HydrophobicContact CG-CE2 3.64Å; L101-F126 HydrophobicContact CG-CZ 4.39Å
102	G	96.3	Very high	95	Very high	23 Å²	23	48.6 Å²	48.6	24%	0.237	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-40.3	176.9	0	0	0	0	0	113	Y60 I98 S99 S105 L106	Y60-G102 WeakPolarHBondContact OH-CA 3.4Å; I98-G102 PolarHBondContact O-N 2.87Å; I98-G102 VanDerWaalsContact O-N 3.07Å; S99-G102 PolarHBondContact O-N 2.96Å; G102-S105 PolarHBondContact O-N 3.46Å; G102-L106 VanDerWaalsContact O-CB 3.24Å; G102-L106 WeakPolarHBondContact O-CB 3.41Å; G102-L106 PolarHBondContact O-N 2.98Å
103	F	95.6	Very high	94.9	Very high	6 Å²	6	51 Å²	51	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-52.7	176.6	176.2	-107.1	0	0	0	112.4	M25 F53 I56 Y60 S99 Y100 S105 L106 I107 T172	M25-F103 HydrophobicContact CE-CD2 4.37Å; M25-F103 HydrophobicContact CE-CE2 3.4Å; M25-F103 VanDerWaalsContact CE-CE2 3.4Å; M25-F103 HydrophobicContact CE-CZ 3.95Å; F53-F103 HydrophobicContact CE1-CZ 4.04Å; F53-F103 HydrophobicContact CZ-CZ 4.38Å; I56-F103 HydrophobicContact CD1-CE2 4.3Å; I56-F103 HydrophobicContact CG2-CD2 3.53Å; I56-F103 HydrophobicContact CG2-CE2 3.6Å; Y60-F103 HydrophobicContact CE1-CB 4.05Å; S99-F103 WeakPolarHBondContact O-CB 3.29Å; S99-F103 PolarHBondContact O-N 2.97Å; Y100-F103 HydrophobicContact CD1-CD1 4.46Å; Y100-F103 PolarHBondContact O-N 3.39Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 2.9Å; F103-L106 PolarHBondContact O-N 3.25Å; F103-I107 HydrophobicContact CD1-CD1 3.88Å; F103-I107 HydrophobicContact CD2-CD1 4.44Å; F103-I107 HydrophobicContact CE1-CD1 3.33Å; F103-I107 HydrophobicContact CE1-CG1 4.5Å; F103-I107 HydrophobicContact CE2-CD1 3.91Å; F103-I107 HydrophobicContact CE2-CG1 4.37Å; F103-I107 HydrophobicContact CG-CD1 4.42Å; F103-I107 HydrophobicContact CZ-CD1 3.35Å; F103-I107 HydrophobicContact CZ-CG1 4.27Å; F103-I107 WeakPolarHBondContact O-CG1 3.4Å; F103-I107 PolarHBondContact O-N 3.43Å; F103-T172 HydrophobicContact CE1-CG2 3.99Å
104	L	95.5	Very high	94.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-39.3	-179.6	-69.9	173.7	0	0	0	111.7	Y100 I107 G108 V122 E125 F126 T172	Y100-L104 WeakPolarHBondContact O-CB 3.44Å; Y100-L104 WeakPolarHBondContact O-CG 3.4Å; Y100-L104 PolarHBondContact O-N 2.83Å; L104-I107 PolarHBondContact O-N 2.82Å; L104-G108 PolarHBondContact O-N 3.42Å; L104-V122 HydrophobicContact CB-CG2 3.96Å; L104-E125 HydrophobicContact CD1-CB 3.92Å; L104-E125 HydrophobicContact CD2-CB 3.88Å; L104-E125 WeakPolarHBondContact CD2-OE2 3.38Å; L104-F126 HydrophobicContact CD1-CB 4.01Å; L104-T172 HydrophobicContact CD2-CG2 3.94Å
105	S	95.6	Very high	94.8	Very high	34 Å²	34	50.4 Å²	50.4	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-46.7	175.7	-56.5	0	0	0	0	110.9	L101 G102 F103 I107 G108 F109	L101-S105 VanDerWaalsContact O-CB 3.3Å; L101-S105 WeakPolarHBondContact O-CB 3.27Å; L101-S105 PolarHBondContact O-N 3.44Å; L101-S105 PolarHBondContact O-OG 2.87Å; G102-S105 PolarHBondContact O-N 3.46Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 2.9Å; S105-I107 PolarHBondContact O-N 3.43Å; S105-G108 PolarHBondContact O-N 3.47Å; S105-G108 VanDerWaalsContact O-N 3.12Å; S105-F109 WeakPolarHBondContact O-CD2 3.28Å; S105-F109 PolarHBondContact O-N 3.5Å
106	L	95.6	Very high	94.7	Very high	42 Å²	42	55.1 Å²	55.1	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-38.2	179.6	-174.6	58.7	0	0	0	112	I56 Y60 G102 F103 F109 L110	I56-L106 HydrophobicContact CB-CD2 4.39Å; I56-L106 HydrophobicContact CD1-CG 4.38Å; I56-L106 HydrophobicContact CG1-CD2 3.78Å; I56-L106 HydrophobicContact CG1-CG 3.99Å; I56-L106 HydrophobicContact CG2-CD2 4.24Å; Y60-L106 HydrophobicContact CD1-CD2 4.42Å; Y60-L106 HydrophobicContact CD2-CD2 4.46Å; Y60-L106 HydrophobicContact CG-CD2 3.94Å; G102-L106 VanDerWaalsContact O-CB 3.24Å; G102-L106 WeakPolarHBondContact O-CB 3.41Å; G102-L106 PolarHBondContact O-N 2.98Å; F103-L106 PolarHBondContact O-N 3.25Å; L106-F109 PolarHBondContact O-N 3.21Å; L106-L110 HydrophobicContact CD1-CD1 4.39Å; L106-L110 HydrophobicContact CD1-CG 4.21Å; L106-L110 HydrophobicContact CG-CD1 4.18Å; L106-L110 HydrophobicContact CG-CG 4.42Å; L106-L110 WeakPolarHBondContact O-CB 3.23Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.47Å; L106-L110 PolarHBondContact O-N 2.87Å
107	I	93.8	Very high	94.7	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-50.1	170.6	-68.3	167.6	0	0	0	110.1	I56 F103 L104 S105 F109 L110 R111 T172	I56-I107 HydrophobicContact CD1-CB 4.45Å; I56-I107 HydrophobicContact CD1-CD1 4.49Å; I56-I107 HydrophobicContact CD1-CG1 3.44Å; I56-I107 VanDerWaalsContact CD1-CG1 3.44Å; F103-I107 HydrophobicContact CD1-CD1 3.88Å; F103-I107 HydrophobicContact CD2-CD1 4.44Å; F103-I107 HydrophobicContact CE1-CD1 3.33Å; F103-I107 HydrophobicContact CE1-CG1 4.5Å; F103-I107 HydrophobicContact CE2-CD1 3.91Å; F103-I107 HydrophobicContact CE2-CG1 4.37Å; F103-I107 HydrophobicContact CG-CD1 4.42Å; F103-I107 HydrophobicContact CZ-CD1 3.35Å; F103-I107 HydrophobicContact CZ-CG1 4.27Å; F103-I107 WeakPolarHBondContact O-CG1 3.4Å; F103-I107 PolarHBondContact O-N 3.43Å; L104-I107 PolarHBondContact O-N 2.82Å; S105-I107 PolarHBondContact O-N 3.43Å; I107-F109 VanDerWaalsContact C-N 3.34Å; I107-F109 PolarHBondContact O-N 3.25Å; I107-L110 PolarHBondContact O-N 3.47Å; I107-R111 HydrophobicContact CG2-CG 4.19Å; I107-R111 WeakPolarHBondContact O-CB 3.49Å; I107-R111 VanDerWaalsContact O-CG 3.22Å; I107-R111 WeakPolarHBondContact O-CG 3.45Å; I107-R111 PolarHBondContact O-N 3.07Å; I107-T172 HydrophobicContact CD1-CG2 3.78Å
108	G	93.3	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-46.2	-179.2	0	0	0	0	0	112.4	L104 S105 R111 R112 M113	L104-G108 PolarHBondContact O-N 3.42Å; S105-G108 PolarHBondContact O-N 3.47Å; S105-G108 VanDerWaalsContact O-N 3.12Å; G108-R111 CarbonylContact O-C 3.48Å; G108-R111 PolarHBondContact O-N 3.22Å; G108-R112 PolarHBondContact O-N 3.28Å; G108-M113 WeakPolarHBondContact O-CB 3.22Å; G108-M113 WeakPolarHBondContact O-CG 3.19Å; G108-M113 PolarHBondContact O-N 3.16Å; G108-M113 VanDerWaalsContact O-N 3.07Å
109	F	94.2	Very high	94.6	Very high	130 Å²	130	53.5 Å²	53.5	57%	0.57	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-44.5	175.6	-73.4	-59.9	0	0	0	113.1	S105 L106 I107 R111 R112 V118	S105-F109 WeakPolarHBondContact O-CD2 3.28Å; S105-F109 PolarHBondContact O-N 3.5Å; L106-F109 PolarHBondContact O-N 3.21Å; I107-F109 VanDerWaalsContact C-N 3.34Å; I107-F109 PolarHBondContact O-N 3.25Å; F109-R111 PolarHBondContact O-N 2.96Å; F109-R112 WeakPolarHBondContact O-CA 3.38Å; F109-R112 PolarHBondContact O-N 2.98Å; F109-V118 HydrophobicContact CD1-CG2 4.21Å; F109-V118 HydrophobicContact CE1-CG2 4.23Å; F109-V118 HydrophobicContact CE2-CG1 4.3Å; F109-V118 HydrophobicContact CG-CG2 4.44Å; F109-V118 HydrophobicContact CZ-CG2 4.48Å
110	L	94.1	Very high	94.6	Very high	51 Å²	51	58.2 Å²	58.2	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-20.8	177.8	-70.4	179.1	0	0	0	113	R52 F55 I56 L106 I107 R112	R52-L110 HydrophobicContact CB-CD1 4.36Å; R52-L110 HydrophobicContact CG-CB 4.04Å; R52-L110 HydrophobicContact CG-CD1 4.33Å; F55-L110 HydrophobicContact CD1-CD1 3.79Å; F55-L110 HydrophobicContact CD1-CD2 4.36Å; F55-L110 HydrophobicContact CE1-CD1 4.38Å; F55-L110 HydrophobicContact CE1-CD2 4.36Å; I56-L110 HydrophobicContact CD1-CD1 3.91Å; I56-L110 HydrophobicContact CG1-CD1 3.63Å; L106-L110 HydrophobicContact CD1-CD1 4.39Å; L106-L110 HydrophobicContact CD1-CG 4.21Å; L106-L110 HydrophobicContact CG-CD1 4.18Å; L106-L110 HydrophobicContact CG-CG 4.42Å; L106-L110 WeakPolarHBondContact O-CB 3.23Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.47Å; L106-L110 PolarHBondContact O-N 2.87Å; I107-L110 PolarHBondContact O-N 3.47Å; L110-R112 VanDerWaalsContact C-N 3.28Å
111	R	92.4	Very high	94.5	Very high	52 Å²	52	57.5 Å²	57.5	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.1	170.9	-66.6	178.6	80.2	-171.7	15.3	113	I107 G108 F109 M113 N176	I107-R111 HydrophobicContact CG2-CG 4.19Å; I107-R111 WeakPolarHBondContact O-CB 3.49Å; I107-R111 VanDerWaalsContact O-CG 3.22Å; I107-R111 WeakPolarHBondContact O-CG 3.45Å; I107-R111 PolarHBondContact O-N 3.07Å; G108-R111 CarbonylContact O-C 3.48Å; G108-R111 PolarHBondContact O-N 3.22Å; F109-R111 PolarHBondContact O-N 2.96Å; R111-M113 HydrophobicContact CB-CG 4.23Å; R111-M113 PolarHBondContact O-N 3.01Å; R111-N176 PolarHBondContact NH1-OD1 3.38Å; R111-N176 PolarHBondContact NH2-ND2 3.46Å; R111-N176 PolarHBondContact NH2-OD1 3.24Å; R111-N176 VanDerWaalsContact NH2-OD1 3.09Å
112	R	93	Very high	94.4	Very high	225 Å²	225	54.9 Å²	54.9	85%	0.849	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	32.8	-179.9	-52.9	177.4	176.8	168.6	-1	113.3	G108 F109 L110	G108-R112 PolarHBondContact O-N 3.28Å; F109-R112 WeakPolarHBondContact O-CA 3.38Å; F109-R112 PolarHBondContact O-N 2.98Å; L110-R112 VanDerWaalsContact C-N 3.28Å
113	M	92.9	Very high	94.3	Very high	58 Å²	58	60.3 Å²	60.3	29%	0.286	30%	0.301	S	S	.	.			trans	-69.6	148.4	169	-58.5	177.3	79	0	0	109.4	G108 R111 G117 V118 K121	G108-M113 WeakPolarHBondContact O-CB 3.22Å; G108-M113 WeakPolarHBondContact O-CG 3.19Å; G108-M113 PolarHBondContact O-N 3.16Å; G108-M113 VanDerWaalsContact O-N 3.07Å; R111-M113 HydrophobicContact CB-CG 4.23Å; R111-M113 PolarHBondContact O-N 3.01Å; M113-G117 VanDerWaalsContact CE-C 3.46Å; M113-G117 WeakPolarHBondContact CE-O 3.23Å; M113-V118 HydrophobicContact CB-CG2 3.88Å; M113-K121 HydrophobicContact CE-CB 4.28Å; M113-K121 HydrophobicContact SD-CB 4.48Å; M113-K121 HydrophobicContact SD-CD 4Å
114	D	94.2	Very high	94.2	Very high	105 Å²	105	63.7 Å²	63.7	56%	0.561	32%	0.319	S	S	*	.			trans	-72.2	171.4	168.5	61.9	-8.2	0	0	0	111.1	D116 G117 V118	D114-D116 VanDerWaalsContact C-N 3.26Å; D114-D116 PolarHBondContact O-N 3.32Å; D114-G117 PolarHBondContact O-N 3.33Å; D114-G117 WeakPolarHBondContact OD1-CA 3.39Å; D114-G117 PolarHBondContact OD1-N 3.41Å; D114-V118 WeakPolarHBondContact O-CG2 3.4Å; D114-V118 PolarHBondContact O-N 2.93Å
115	G	94	Very high	94.1	Very high	53 Å²	53	64 Å²	64	55%	0.546	32%	0.32	S	S	.	.	H	α-helix	trans	-57.1	-40	-176.2	0	0	0	0	0	113.2	V118 L119	G115-V118 PolarHBondContact O-N 3.47Å; G115-L119 WeakPolarHBondContact O-CB 3.48Å; G115-L119 PolarHBondContact O-N 2.93Å
116	D	95	Very high	94.1	Very high	125 Å²	125	63.4 Å²	63.4	67%	0.668	31%	0.314	S	S	*	.	H	α-helix	trans	-68.5	-43.3	178	-69.3	-30.5	0	0	0	111.5	D114 V118 L119 E120	D114-D116 VanDerWaalsContact C-N 3.26Å; D114-D116 PolarHBondContact O-N 3.32Å; D116-V118 VanDerWaalsContact C-N 3.35Å; D116-V118 PolarHBondContact O-N 3.49Å; D116-L119 PolarHBondContact O-N 3.48Å; D116-E120 WeakPolarHBondContact O-CB 3.28Å; D116-E120 PolarHBondContact O-N 2.71Å
117	G	93.9	Very high	94.1	Very high	9 Å²	9	68.6 Å²	68.6	9%	0.093	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-39	174.6	0	0	0	0	0	113.1	M113 D114 K121	M113-G117 VanDerWaalsContact CE-C 3.46Å; M113-G117 WeakPolarHBondContact CE-O 3.23Å; D114-G117 PolarHBondContact O-N 3.33Å; D114-G117 WeakPolarHBondContact OD1-CA 3.39Å; D114-G117 PolarHBondContact OD1-N 3.41Å; G117-K121 WeakPolarHBondContact O-CB 3.35Å; G117-K121 PolarHBondContact O-N 2.89Å
118	V	94.6	Very high	94.1	Very high	8 Å²	8	70.5 Å²	70.5	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-45.4	173.7	178.3	0	0	0	0	110.5	F109 M113 D114 G115 D116 E120 K121 V122	F109-V118 HydrophobicContact CD1-CG2 4.21Å; F109-V118 HydrophobicContact CE1-CG2 4.23Å; F109-V118 HydrophobicContact CE2-CG1 4.3Å; F109-V118 HydrophobicContact CG-CG2 4.44Å; F109-V118 HydrophobicContact CZ-CG2 4.48Å; M113-V118 HydrophobicContact CB-CG2 3.88Å; D114-V118 WeakPolarHBondContact O-CG2 3.4Å; D114-V118 PolarHBondContact O-N 2.93Å; G115-V118 PolarHBondContact O-N 3.47Å; D116-V118 VanDerWaalsContact C-N 3.35Å; D116-V118 PolarHBondContact O-N 3.49Å; V118-E120 PolarHBondContact O-N 2.92Å; V118-K121 PolarHBondContact O-N 3.48Å; V118-V122 HydrophobicContact CG1-CG2 4.44Å; V118-V122 VanDerWaalsContact O-CG2 3.3Å; V118-V122 WeakPolarHBondContact O-CG2 3.32Å; V118-V122 PolarHBondContact O-N 2.94Å
119	L	95.6	Very high	94.2	Very high	86 Å²	86	70.5 Å²	70.5	45%	0.45	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-43	179	179.3	61.3	0	0	0	111.7	G115 D116 V122 K123	G115-L119 WeakPolarHBondContact O-CB 3.48Å; G115-L119 PolarHBondContact O-N 2.93Å; D116-L119 PolarHBondContact O-N 3.48Å; L119-V122 PolarHBondContact O-N 2.87Å; L119-K123 HydrophobicContact CG-CD 4.32Å; L119-K123 WeakPolarHBondContact O-CG 3.41Å; L119-K123 PolarHBondContact O-N 3.44Å
120	E	94.7	Very high	94.2	Very high	116 Å²	116	65.3 Å²	65.3	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-45.7	176.4	-175.1	174.5	-171.2	0	0	111.5	D116 V118 V122 K123 N124	D116-E120 WeakPolarHBondContact O-CB 3.28Å; D116-E120 PolarHBondContact O-N 2.71Å; V118-E120 PolarHBondContact O-N 2.92Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 3.42Å; E120-K123 PolarHBondContact O-N 2.99Å; E120-N124 WeakPolarHBondContact CG-ND2 3.34Å; E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 VanDerWaalsContact O-CG 3.28Å; E120-N124 PolarHBondContact O-N 3.04Å; E120-N124 PolarHBondContact O-ND2 2.78Å
121	K	93	Very high	94.2	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.035	33%	0.328	C	S	.	.	H	α-helix	trans	-56.7	-47.8	174.7	-179.1	174.5	175.7	65.1	0	111.7	M113 G117 V118 N124 E125 T172	M113-K121 HydrophobicContact CE-CB 4.28Å; M113-K121 HydrophobicContact SD-CB 4.48Å; M113-K121 HydrophobicContact SD-CD 4Å; G117-K121 WeakPolarHBondContact O-CB 3.35Å; G117-K121 PolarHBondContact O-N 2.89Å; V118-K121 PolarHBondContact O-N 3.48Å; K121-N124 PolarHBondContact O-N 2.8Å; K121-E125 IonicContact NZ-OE1 2.84Å; K121-E125 PolarHBondContact NZ-OE1 3.42Å; K121-E125 IonicContact NZ-OE2 3.93Å; K121-E125 PolarHBondContact NZ-OE2 3Å; K121-E125 WeakPolarHBondContact O-CB 3.31Å; K121-E125 PolarHBondContact O-N 3.26Å; K121-T172 PolarHBondContact NZ-O 3.38Å
122	V	95.3	Very high	94.3	Very high	17 Å²	17	65.2 Å²	65.2	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-46.5	178.9	172.6	0	0	0	0	110.4	L101 L104 V118 L119 E120 N124 E125 F126	L101-V122 HydrophobicContact CD2-CG1 3.58Å; L104-V122 HydrophobicContact CB-CG2 3.96Å; V118-V122 HydrophobicContact CG1-CG2 4.44Å; V118-V122 VanDerWaalsContact O-CG2 3.3Å; V118-V122 WeakPolarHBondContact O-CG2 3.32Å; V118-V122 PolarHBondContact O-N 2.94Å; L119-V122 PolarHBondContact O-N 2.87Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 3.42Å; V122-N124 VanDerWaalsContact C-N 3.31Å; V122-N124 PolarHBondContact O-N 3.29Å; V122-E125 PolarHBondContact O-N 3.31Å; V122-F126 HydrophobicContact CG1-CB 4.37Å; V122-F126 WeakPolarHBondContact O-CA 3.27Å; V122-F126 WeakPolarHBondContact O-CB 3.27Å; V122-F126 PolarHBondContact O-N 3.48Å
123	K	94.7	Very high	94.4	Very high	138 Å²	138	54.7 Å²	54.7	60%	0.6	29%	0.286	S	S	*	.	H	α-helix	trans	-58.4	-42.3	177.6	-76.3	175	177.7	176	0	112.4	L119 E120	L119-K123 HydrophobicContact CG-CD 4.32Å; L119-K123 WeakPolarHBondContact O-CG 3.41Å; L119-K123 PolarHBondContact O-N 3.44Å; E120-K123 PolarHBondContact O-N 2.99Å
124	N	93.6	Very high	94.4	Very high	76 Å²	76	54.4 Å²	54.4	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-77.8	-35	-175.6	-69.7	-20.1	0	0	0	113.2	E120 K121 V122 P128	E120-N124 WeakPolarHBondContact CG-ND2 3.34Å; E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 VanDerWaalsContact O-CG 3.28Å; E120-N124 PolarHBondContact O-N 3.04Å; E120-N124 PolarHBondContact O-ND2 2.78Å; K121-N124 PolarHBondContact O-N 2.8Å; V122-N124 VanDerWaalsContact C-N 3.31Å; V122-N124 PolarHBondContact O-N 3.29Å; N124-P128 WeakPolarHBondContact O-CD 3.05Å; N124-P128 WeakPolarHBondContact O-CG 3.3Å
125	E	93.5	Very high	94.3	Very high	6 Å²	6	57 Å²	57	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-102.7	-23.6	-171.9	-68.6	-179.4	-150.6	0	0	114.1	L104 K121 V122 P128 V129 T172 Q175	L104-E125 HydrophobicContact CD1-CB 3.92Å; L104-E125 HydrophobicContact CD2-CB 3.88Å; L104-E125 WeakPolarHBondContact CD2-OE2 3.38Å; K121-E125 IonicContact NZ-OE1 2.84Å; K121-E125 PolarHBondContact NZ-OE1 3.42Å; K121-E125 IonicContact NZ-OE2 3.93Å; K121-E125 PolarHBondContact NZ-OE2 3Å; K121-E125 WeakPolarHBondContact O-CB 3.31Å; K121-E125 PolarHBondContact O-N 3.26Å; V122-E125 PolarHBondContact O-N 3.31Å; E125-P128 WeakPolarHBondContact O-CD 3.48Å; E125-V129 VanDerWaalsContact O-CB 3.31Å; E125-V129 WeakPolarHBondContact O-CB 3.48Å; E125-V129 VanDerWaalsContact O-CG2 3.22Å; E125-V129 WeakPolarHBondContact O-CG2 3.26Å; E125-V129 PolarHBondContact O-N 3Å; E125-T172 WeakPolarHBondContact OE2-CA 3.15Å; E125-T172 WeakPolarHBondContact OE2-CG2 3.2Å; E125-Q175 PolarHBondContact OE1-OE1 3.45Å
126	F	95.6	Very high	94.2	Very high	23 Å²	23	56.9 Å²	56.9	10%	0.101	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-57.8	-174.2	174.5	-100.1	0	0	0	112.3	P97 L101 L104 V122 V129 Y130	P97-F126 HydrophobicContact CB-CE2 4.32Å; P97-F126 HydrophobicContact CB-CZ 3.94Å; P97-F126 WeakPolarHBondContact O-CE2 3.48Å; L101-F126 HydrophobicContact CD1-CE2 4.45Å; L101-F126 HydrophobicContact CD2-CD2 3.56Å; L101-F126 HydrophobicContact CD2-CE2 3.82Å; L101-F126 HydrophobicContact CD2-CG 4.04Å; L101-F126 HydrophobicContact CD2-CZ 4.49Å; L101-F126 HydrophobicContact CG-CD2 3.84Å; L101-F126 HydrophobicContact CG-CE2 3.64Å; L101-F126 HydrophobicContact CG-CZ 4.39Å; L104-F126 HydrophobicContact CD1-CB 4.01Å; V122-F126 HydrophobicContact CG1-CB 4.37Å; V122-F126 WeakPolarHBondContact O-CA 3.27Å; V122-F126 WeakPolarHBondContact O-CB 3.27Å; V122-F126 PolarHBondContact O-N 3.48Å; F126-V129 PolarHBondContact O-N 3.45Å; F126-Y130 HydrophobicContact CE1-CD1 4.24Å; F126-Y130 HydrophobicContact CZ-CD1 4.15Å; F126-Y130 HydrophobicContact CZ-CG 4.15Å; F126-Y130 WeakPolarHBondContact O-CB 3.34Å; F126-Y130 PolarHBondContact O-N 3.07Å
127	W	95.3	Very high	94	Very high	151 Å²	151	52.8 Å²	52.8	57%	0.572	26%	0.255	S	S	*	.	H	α-helix	trans	-62.4	-47.1	-177.1	-75.6	112.4	0	0	0	112.8	V129 Y130 L131	W127-V129 VanDerWaalsContact C-N 3.32Å; W127-V129 PolarHBondContact O-N 2.89Å; W127-Y130 HydrophobicContact CE3-CD1 4.16Å; W127-Y130 AromaticContact CZ3-CD1 3.99Å; W127-Y130 HydrophobicContact CZ3-CD1 3.99Å; W127-Y130 HydrophobicContact CZ3-CE1 4.29Å; W127-Y130 PolarHBondContact O-N 3.49Å; W127-L131 HydrophobicContact CE3-CG 4.32Å; W127-L131 VanDerWaalsContact O-CB 3.27Å; W127-L131 WeakPolarHBondContact O-CB 3.33Å; W127-L131 VanDerWaalsContact O-CG 3.23Å; W127-L131 WeakPolarHBondContact O-CG 3.33Å; W127-L131 PolarHBondContact O-N 3.45Å
128	P	94	Very high	93.8	Very high	43 Å²	43	53.8 Å²	53.8	28%	0.279	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-36.8	177.4	-23.9	33.4	0	0	0	114.2	N124 E125 A132 R171	N124-P128 WeakPolarHBondContact O-CD 3.05Å; N124-P128 WeakPolarHBondContact O-CG 3.3Å; E125-P128 WeakPolarHBondContact O-CD 3.48Å; P128-A132 WeakPolarHBondContact O-CB 3.36Å; P128-A132 PolarHBondContact O-N 3.36Å; P128-R171 VanDerWaalsContact CB-NH2 3.33Å; P128-R171 PolarHBondContact O-NH1 2.74Å
129	V	93.9	Very high	93.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.2	-48.2	176.4	171.3	0	0	0	0	110.9	Y100 E125 F126 W127 A132 N133 L168	Y100-V129 HydrophobicContact CD1-CG1 3.51Å; Y100-V129 HydrophobicContact CE1-CG1 3.59Å; Y100-V129 HydrophobicContact CG-CG1 4.08Å; E125-V129 VanDerWaalsContact O-CB 3.31Å; E125-V129 WeakPolarHBondContact O-CB 3.48Å; E125-V129 VanDerWaalsContact O-CG2 3.22Å; E125-V129 WeakPolarHBondContact O-CG2 3.26Å; E125-V129 PolarHBondContact O-N 3Å; F126-V129 PolarHBondContact O-N 3.45Å; W127-V129 VanDerWaalsContact C-N 3.32Å; W127-V129 PolarHBondContact O-N 2.89Å; V129-A132 PolarHBondContact O-N 2.92Å; V129-N133 PolarHBondContact O-N 2.94Å; V129-L168 HydrophobicContact CG1-CD2 3.55Å; V129-L168 HydrophobicContact CG2-CD2 4.42Å
130	Y	95.2	Very high	93.5	Very high	22 Å²	22	53 Å²	53	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-41.6	-176.9	179.4	-124.4	0	0	0	112.4	Q92 A96 P97 Y100 F126 W127 A132 N133 L134	Q92-Y130 WeakPolarHBondContact O-CE2 3.25Å; Q92-Y130 PolarHBondContact O-OH 3.38Å; A96-Y130 HydrophobicContact CB-CD2 4.44Å; A96-Y130 HydrophobicContact CB-CE2 4.03Å; P97-Y130 HydrophobicContact CB-CE2 4.16Å; P97-Y130 HydrophobicContact CG-CE2 4.35Å; Y100-Y130 HydrophobicContact CD2-CD2 4.27Å; F126-Y130 HydrophobicContact CE1-CD1 4.24Å; F126-Y130 HydrophobicContact CZ-CD1 4.15Å; F126-Y130 HydrophobicContact CZ-CG 4.15Å; F126-Y130 WeakPolarHBondContact O-CB 3.34Å; F126-Y130 PolarHBondContact O-N 3.07Å; W127-Y130 HydrophobicContact CE3-CD1 4.16Å; W127-Y130 AromaticContact CZ3-CD1 3.99Å; W127-Y130 HydrophobicContact CZ3-CD1 3.99Å; W127-Y130 HydrophobicContact CZ3-CE1 4.29Å; W127-Y130 PolarHBondContact O-N 3.49Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 2.85Å; Y130-N133 WeakPolarHBondContact O-CB 3.25Å; Y130-N133 PolarHBondContact O-N 2.89Å; Y130-N133 VanDerWaalsContact O-N 3.17Å; Y130-L134 HydrophobicContact CD1-CD1 4.06Å; Y130-L134 HydrophobicContact CD2-CG 4.38Å; Y130-L134 HydrophobicContact CE1-CD1 3.56Å; Y130-L134 HydrophobicContact CE1-CG 4.33Å; Y130-L134 HydrophobicContact CE2-CD1 4.08Å; Y130-L134 HydrophobicContact CE2-CD2 4.22Å; Y130-L134 HydrophobicContact CE2-CG 3.95Å; Y130-L134 WeakPolarHBondContact O-CG 3.48Å; Y130-L134 PolarHBondContact O-N 3.45Å
131	L	94.6	Very high	93.2	Very high	82 Å²	82	49.9 Å²	49.9	43%	0.429	25%	0.25	S	S	.	.	H	α-helix	trans	-66.6	-36.1	175.5	-69.1	173.7	0	0	0	112.1	W127 N133 L134 K135	W127-L131 HydrophobicContact CE3-CG 4.32Å; W127-L131 VanDerWaalsContact O-CB 3.27Å; W127-L131 WeakPolarHBondContact O-CB 3.33Å; W127-L131 VanDerWaalsContact O-CG 3.23Å; W127-L131 WeakPolarHBondContact O-CG 3.33Å; W127-L131 PolarHBondContact O-N 3.45Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-L134 HydrophobicContact CD2-CD1 4.49Å; L131-K135 VanDerWaalsContact O-CG 3.32Å; L131-K135 WeakPolarHBondContact O-CG 3.44Å; L131-K135 PolarHBondContact O-N 3.19Å
132	A	94.5	Very high	92.9	Very high	18 Å²	18	54 Å²	54	15%	0.149	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-40.8	172.2	0	0	0	0	0	110.9	P128 V129 Y130 K135 V136 W164 F167	P128-A132 WeakPolarHBondContact O-CB 3.36Å; P128-A132 PolarHBondContact O-N 3.36Å; V129-A132 PolarHBondContact O-N 2.92Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 2.85Å; A132-K135 PolarHBondContact O-N 3.3Å; A132-V136 WeakPolarHBondContact O-CG2 3.47Å; A132-V136 PolarHBondContact O-N 2.9Å; A132-W164 HydrophobicContact CB-CH2 3.81Å; A132-W164 HydrophobicContact CB-CZ3 4.01Å; A132-F167 HydrophobicContact CB-CE1 3.92Å; A132-F167 HydrophobicContact CB-CZ 3.93Å
133	N	93.9	Very high	92.7	Very high	5 Å²	5	58 Å²	58	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-47.4	177.2	176.5	91.5	0	0	0	111.5	Q92 Y100 V129 Y130 L131 K135 V136 W137 W164	Q92-N133 PolarHBondContact OE1-ND2 3.03Å; Y100-N133 HydrophobicContact CE2-CB 3.7Å; Y100-N133 VanDerWaalsContact CE2-CG 3.41Å; Y100-N133 WeakPolarHBondContact CE2-OD1 3.34Å; Y100-N133 PolarHBondContact OH-OD1 2.97Å; V129-N133 PolarHBondContact O-N 2.94Å; Y130-N133 WeakPolarHBondContact O-CB 3.25Å; Y130-N133 PolarHBondContact O-N 2.89Å; Y130-N133 VanDerWaalsContact O-N 3.17Å; L131-N133 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 3.3Å; N133-V136 PolarHBondContact O-N 3.37Å; N133-W137 PolarHBondContact O-N 2.92Å; N133-W137 PolarHBondContact OD1-NE1 3.34Å; N133-W164 VanDerWaalsContact CA-CH2 3.45Å; N133-W164 HydrophobicContact CB-CH2 3.73Å; N133-W164 HydrophobicContact CB-CZ2 3.69Å
134	L	93.2	Very high	92.4	Very high	52 Å²	52	51.4 Å²	51.4	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-21.8	177.5	-75.3	174.8	0	0	0	113.8	Q92 Y130 L131 P138	Q92-L134 HydrophobicContact CB-CD2 3.92Å; Y130-L134 HydrophobicContact CD1-CD1 4.06Å; Y130-L134 HydrophobicContact CD2-CG 4.38Å; Y130-L134 HydrophobicContact CE1-CD1 3.56Å; Y130-L134 HydrophobicContact CE1-CG 4.33Å; Y130-L134 HydrophobicContact CE2-CD1 4.08Å; Y130-L134 HydrophobicContact CE2-CD2 4.22Å; Y130-L134 HydrophobicContact CE2-CG 3.95Å; Y130-L134 WeakPolarHBondContact O-CG 3.48Å; Y130-L134 PolarHBondContact O-N 3.45Å; L131-L134 HydrophobicContact CD2-CD1 4.49Å; L134-P138 WeakPolarHBondContact O-CD 3.15Å; L134-P138 WeakPolarHBondContact O-CG 3.14Å
135	K	93	Very high	91.9	Very high	160 Å²	160	50.3 Å²	50.3	70%	0.696	25%	0.251	S	S	*	.	H	α-helix	trans	-83.9	-47.3	173.9	-70.8	173	-177.3	-175.1	0	111.3	L131 A132 N133 A139	L131-K135 VanDerWaalsContact O-CG 3.32Å; L131-K135 WeakPolarHBondContact O-CG 3.44Å; L131-K135 PolarHBondContact O-N 3.19Å; A132-K135 PolarHBondContact O-N 3.3Å; N133-K135 PolarHBondContact O-N 3.3Å; K135-A139 VanDerWaalsContact O-CB 3.29Å; K135-A139 WeakPolarHBondContact O-CB 3.49Å
136	V	92.3	Very high	91.7	Very high	49 Å²	49	58 Å²	58	30%	0.297	28%	0.282	S	S	.	.	H	α-helix	trans	-72	-54.4	-172.9	173.2	0	0	0	0	111.2	A132 N133 A139 V140 V160 W164	A132-V136 WeakPolarHBondContact O-CG2 3.47Å; A132-V136 PolarHBondContact O-N 2.9Å; N133-V136 PolarHBondContact O-N 3.37Å; V136-A139 PolarHBondContact O-N 3.48Å; V136-V140 HydrophobicContact CG1-CG2 4.13Å; V136-V140 WeakPolarHBondContact O-CB 3.02Å; V136-V140 WeakPolarHBondContact O-CG2 3.38Å; V136-V140 PolarHBondContact O-N 3.03Å; V136-V160 HydrophobicContact CG1-CG1 3.9Å; V136-W164 HydrophobicContact CB-CE3 4.36Å; V136-W164 HydrophobicContact CB-CZ3 4.3Å; V136-W164 HydrophobicContact CG1-CE3 4.35Å; V136-W164 HydrophobicContact CG2-CE3 4.26Å; V136-W164 HydrophobicContact CG2-CZ3 4.01Å
137	W	90.5	Very high	91.4	Very high	40 Å²	40	61.2 Å²	61.2	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-73.1	-44.8	-166.9	-71.3	104.3	0	0	0	113.9	N133 A139 V140 Q141 T157 V160 W164	N133-W137 PolarHBondContact O-N 2.92Å; N133-W137 PolarHBondContact OD1-NE1 3.34Å; W137-A139 VanDerWaalsContact C-N 3.29Å; W137-A139 PolarHBondContact O-N 2.89Å; W137-V140 HydrophobicContact CE3-CG1 4.48Å; W137-V140 PolarHBondContact O-N 2.88Å; W137-Q141 WeakPolarHBondContact O-CB 3.46Å; W137-Q141 WeakPolarHBondContact O-CG 3.34Å; W137-Q141 PolarHBondContact O-N 2.87Å; W137-T157 HydrophobicContact CZ3-CG2 4Å; W137-V160 HydrophobicContact CH2-CG1 4.38Å; W137-V160 HydrophobicContact CZ3-CG1 4.43Å; W137-W164 HydrophobicContact CZ2-CB 4.09Å; W137-W164 AromaticContact CZ2-CG 3.99Å; W137-W164 HydrophobicContact CZ2-CG 3.99Å; W137-W164 AromaticContact NE1-CD1 3.94Å; W137-W164 AromaticContact NE1-CD2 3.76Å; W137-W164 AromaticContact NE1-CE2 3.81Å; W137-W164 AromaticContact NE1-CG 3.9Å; W137-W164 AromaticContact NE1-NE1 3.82Å
138	P	88.6	Confident	90.9	Very high	30 Å²	30	55.2 Å²	55.2	20%	0.195	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-40.5	172	-30	39.8	0	0	0	113.1	Q92 L134 Q141 L142	Q92-P138 HydrophobicContact CG-CG 4.14Å; L134-P138 WeakPolarHBondContact O-CD 3.15Å; L134-P138 WeakPolarHBondContact O-CG 3.14Å; P138-Q141 PolarHBondContact O-N 2.96Å; P138-L142 VanDerWaalsContact O-CB 3.26Å; P138-L142 WeakPolarHBondContact O-CB 3.26Å; P138-L142 PolarHBondContact O-N 3.24Å
139	A	91.7	Very high	90.5	Very high	58 Å²	58	56.2 Å²	56.2	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-45	176.9	0	0	0	0	0	111.8	K135 V136 W137 L142 F143	K135-A139 VanDerWaalsContact O-CB 3.29Å; K135-A139 WeakPolarHBondContact O-CB 3.49Å; V136-A139 PolarHBondContact O-N 3.48Å; W137-A139 VanDerWaalsContact C-N 3.29Å; W137-A139 PolarHBondContact O-N 2.89Å; A139-L142 PolarHBondContact O-N 3.46Å; A139-F143 WeakPolarHBondContact O-CB 3.46Å; A139-F143 PolarHBondContact O-N 3.5Å
140	V	91.6	Very high	89.9	Confident	19 Å²	19	61.2 Å²	61.2	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-42.1	177.5	171.5	0	0	0	0	111.2	V136 W137 F143 N144 V160	V136-V140 HydrophobicContact CG1-CG2 4.13Å; V136-V140 WeakPolarHBondContact O-CB 3.02Å; V136-V140 WeakPolarHBondContact O-CG2 3.38Å; V136-V140 PolarHBondContact O-N 3.03Å; W137-V140 HydrophobicContact CE3-CG1 4.48Å; W137-V140 PolarHBondContact O-N 2.88Å; V140-F143 PolarHBondContact O-N 3.39Å; V140-N144 VanDerWaalsContact O-CB 3.29Å; V140-N144 WeakPolarHBondContact O-CB 3.49Å; V140-N144 PolarHBondContact O-N 3.31Å; V140-N144 PolarHBondContact O-ND2 3.05Å; V140-V160 HydrophobicContact CG1-CG2 4.33Å; V140-V160 HydrophobicContact CG2-CB 4.47Å; V140-V160 HydrophobicContact CG2-CG1 3.85Å; V140-V160 HydrophobicContact CG2-CG2 4.11Å
141	Q	89.1	Confident	89.4	Confident	50 Å²	50	66.4 Å²	66.4	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-68.5	-42.1	179	-68.9	-70.9	43.2	0	0	111.6	M88 W137 P138 N144 F145	M88-Q141 HydrophobicContact CG-CB 4.36Å; M88-Q141 HydrophobicContact CG-CG 4.34Å; M88-Q141 HydrophobicContact SD-CB 3.32Å; M88-Q141 WeakPolarHBondContact SD-CB 3.33Å; M88-Q141 HydrophobicContact SD-CG 3.91Å; W137-Q141 WeakPolarHBondContact O-CB 3.46Å; W137-Q141 WeakPolarHBondContact O-CG 3.34Å; W137-Q141 PolarHBondContact O-N 2.87Å; P138-Q141 PolarHBondContact O-N 2.96Å; Q141-N144 PolarHBondContact O-N 3.48Å; Q141-F145 HydrophobicContact CB-CD2 4.5Å; Q141-F145 HydrophobicContact CB-CE2 4.06Å; Q141-F145 WeakPolarHBondContact O-CD2 3.45Å; Q141-F145 VanDerWaalsContact O-CG 3.28Å; Q141-F145 WeakPolarHBondContact O-CG 3.48Å; Q141-F145 PolarHBondContact O-N 3.24Å
142	L	87.9	Confident	89	Confident	95 Å²	95	67 Å²	67	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-49.6	173.4	-169.4	72.2	0	0	0	110.3	P138 A139 N144 F145 Y146	P138-L142 VanDerWaalsContact O-CB 3.26Å; P138-L142 WeakPolarHBondContact O-CB 3.26Å; P138-L142 PolarHBondContact O-N 3.24Å; A139-L142 PolarHBondContact O-N 3.46Å; L142-N144 VanDerWaalsContact C-N 3.32Å; L142-N144 PolarHBondContact O-N 3.02Å; L142-F145 PolarHBondContact O-N 3.17Å; L142-Y146 HydrophobicContact CD1-CD2 3.58Å; L142-Y146 HydrophobicContact CD1-CE2 3.23Å; L142-Y146 HydrophobicContact CG-CD2 3.97Å; L142-Y146 HydrophobicContact CG-CE2 4.13Å; L142-Y146 VanDerWaalsContact O-CD2 3.23Å; L142-Y146 WeakPolarHBondContact O-CD2 3.33Å; L142-Y146 PolarHBondContact O-N 3.33Å
143	F	90.2	Very high	88.7	Confident	100 Å²	100	69.7 Å²	69.7	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-43.3	176.8	-175	-109	0	0	0	112.5	A139 V140 F145 Y146 V147 I148	A139-F143 WeakPolarHBondContact O-CB 3.46Å; A139-F143 PolarHBondContact O-N 3.5Å; V140-F143 PolarHBondContact O-N 3.39Å; F143-F145 PolarHBondContact O-N 2.89Å; F143-Y146 PolarHBondContact O-N 2.94Å; F143-V147 HydrophobicContact CD2-CB 3.91Å; F143-V147 HydrophobicContact CD2-CG1 4.44Å; F143-V147 HydrophobicContact CD2-CG2 3.65Å; F143-V147 HydrophobicContact CE2-CB 3.7Å; F143-V147 HydrophobicContact CE2-CG1 3.73Å; F143-V147 HydrophobicContact CE2-CG2 3.67Å; F143-V147 HydrophobicContact CZ-CB 4.14Å; F143-V147 HydrophobicContact CZ-CG1 3.93Å; F143-V147 WeakPolarHBondContact O-CB 3.38Å; F143-V147 PolarHBondContact O-N 3.46Å; F143-I148 HydrophobicContact CD1-CD1 4.25Å; F143-I148 HydrophobicContact CD1-CG1 3.85Å; F143-I148 HydrophobicContact CE1-CD1 3.53Å; F143-I148 HydrophobicContact CE1-CG1 3.66Å; F143-I148 HydrophobicContact CZ-CD1 3.93Å; F143-I148 HydrophobicContact CZ-CG1 4.38Å; F143-I148 PolarHBondContact O-N 3.32Å
144	N	87.5	Confident	88.2	Confident	1 Å²	1	75 Å²	75	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-43.6	175.9	-87.6	-28.8	0	0	0	112.5	V140 Q141 L142 I148 R153 T157	V140-N144 VanDerWaalsContact O-CB 3.29Å; V140-N144 WeakPolarHBondContact O-CB 3.49Å; V140-N144 PolarHBondContact O-N 3.31Å; V140-N144 PolarHBondContact O-ND2 3.05Å; Q141-N144 PolarHBondContact O-N 3.48Å; L142-N144 VanDerWaalsContact C-N 3.32Å; L142-N144 PolarHBondContact O-N 3.02Å; N144-I148 VanDerWaalsContact O-O 3.06Å; N144-R153 HydrophobicContact CB-CB 4.45Å; N144-R153 HydrophobicContact CB-CG 4.12Å; N144-R153 WeakPolarHBondContact O-CD 3.36Å; N144-R153 PolarHBondContact O-NE 3.27Å; N144-T157 PolarHBondContact ND2-OG1 3.48Å
145	F	84.7	Confident	88	Confident	52 Å²	52	77.8 Å²	77.8	23%	0.228	39%	0.392	C	S	.	.	H	α-helix	trans	-73.1	-36.5	-177.6	-65.4	-42.8	0	0	0	113	A84 Q141 L142 F143 R153	A84-F145 HydrophobicContact CB-CE1 3.97Å; A84-F145 HydrophobicContact CB-CE2 4.16Å; A84-F145 HydrophobicContact CB-CZ 3.7Å; Q141-F145 HydrophobicContact CB-CD2 4.5Å; Q141-F145 HydrophobicContact CB-CE2 4.06Å; Q141-F145 WeakPolarHBondContact O-CD2 3.45Å; Q141-F145 VanDerWaalsContact O-CG 3.28Å; Q141-F145 WeakPolarHBondContact O-CG 3.48Å; Q141-F145 PolarHBondContact O-N 3.24Å; L142-F145 PolarHBondContact O-N 3.17Å; F143-F145 PolarHBondContact O-N 2.89Å; F145-R153 PolarHBondContact O-NH2 2.91Å
146	Y	87.6	Confident	87.8	Confident	169 Å²	169	72.8 Å²	72.8	66%	0.663	37%	0.373	S	S	*	.	H	α-helix	trans	-92.6	-33.7	-173.4	-77.5	-97	0	0	0	114.3	L142 F143	L142-Y146 HydrophobicContact CD1-CD2 3.58Å; L142-Y146 HydrophobicContact CD1-CE2 3.23Å; L142-Y146 HydrophobicContact CG-CD2 3.97Å; L142-Y146 HydrophobicContact CG-CE2 4.13Å; L142-Y146 VanDerWaalsContact O-CD2 3.23Å; L142-Y146 WeakPolarHBondContact O-CD2 3.33Å; L142-Y146 PolarHBondContact O-N 3.33Å; F143-Y146 PolarHBondContact O-N 2.94Å
147	V	89.8	Confident	87.7	Confident	90 Å²	90	72.2 Å²	72.2	55%	0.545	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-40	-169.8	-174.4	0	0	0	0	112.2	F143	F143-V147 HydrophobicContact CD2-CB 3.91Å; F143-V147 HydrophobicContact CD2-CG1 4.44Å; F143-V147 HydrophobicContact CD2-CG2 3.65Å; F143-V147 HydrophobicContact CE2-CB 3.7Å; F143-V147 HydrophobicContact CE2-CG1 3.73Å; F143-V147 HydrophobicContact CE2-CG2 3.67Å; F143-V147 HydrophobicContact CZ-CB 4.14Å; F143-V147 HydrophobicContact CZ-CG1 3.93Å; F143-V147 WeakPolarHBondContact O-CB 3.38Å; F143-V147 PolarHBondContact O-N 3.46Å
148	I	86.2	Confident	87.5	Confident	24 Å²	24	73.9 Å²	73.9	12%	0.123	38%	0.378	C	S	.	.	S	Bend	trans	-89.9	126.3	-168.8	-55.6	-57.4	0	0	0	111.4	F143 N144 H152 R153 I156	F143-I148 HydrophobicContact CD1-CD1 4.25Å; F143-I148 HydrophobicContact CD1-CG1 3.85Å; F143-I148 HydrophobicContact CE1-CD1 3.53Å; F143-I148 HydrophobicContact CE1-CG1 3.66Å; F143-I148 HydrophobicContact CZ-CD1 3.93Å; F143-I148 HydrophobicContact CZ-CG1 4.38Å; F143-I148 PolarHBondContact O-N 3.32Å; N144-I148 VanDerWaalsContact O-O 3.06Å; I148-H152 HydrophobicContact CG2-CB 3.63Å; I148-R153 HydrophobicContact CB-CG 4.06Å; I148-R153 HydrophobicContact CG2-CB 4.47Å; I148-R153 HydrophobicContact CG2-CG 3.85Å; I148-R153 PolarHBondContact O-NE 3.4Å; I148-R153 PolarHBondContact O-NH2 3.03Å; I148-I156 HydrophobicContact CD1-CG1 4.44Å; I148-I156 HydrophobicContact CG1-CG1 4.31Å; I148-I156 HydrophobicContact CG2-CG1 4.26Å
149	P	84	Confident	87.6	Confident	64 Å²	64	75.7 Å²	75.7	42%	0.416	39%	0.391	S	S	.	.			trans	-56.8	145.4	171.4	-24.8	34.2	0	0	0	111.8	Q151 H152 R153	P149-Q151 VanDerWaalsContact CB-NE2 3.35Å; P149-Q151 PolarHBondContact O-N 2.87Å; P149-H152 PolarHBondContact O-N 2.95Å; P149-R153 PolarHBondContact O-N 2.92Å
150	V	82.1	Confident	87.6	Confident	106 Å²	106	74.4 Å²	74.4	64%	0.642	38%	0.376	S	S	*	.	H	α-helix	trans	-52.3	-37.9	-171.3	67	0	0	0	0	113.7	H152	V150-H152 VanDerWaalsContact C-N 3.27Å; V150-H152 PolarHBondContact O-N 3.37Å
151	Q	84.7	Confident	87.5	Confident	130 Å²	130	73.9 Å²	73.9	61%	0.607	38%	0.375	S	S	*	.	H	α-helix	trans	-65.4	-23.9	178.6	62.4	-88.3	9.5	0	0	114.6	P149	P149-Q151 VanDerWaalsContact CB-NE2 3.35Å; P149-Q151 PolarHBondContact O-N 2.87Å
152	H	86.7	Confident	87.5	Confident	95 Å²	95	74.7 Å²	74.7	44%	0.44	38%	0.378	S	S	.	.	H	α-helix	trans	-101.6	-13.5	-176.6	-60.7	-52.1	0	0	0	113.6	I148 P149 V150 L154 L155 I156	I148-H152 HydrophobicContact CG2-CB 3.63Å; P149-H152 PolarHBondContact O-N 2.95Å; V150-H152 VanDerWaalsContact C-N 3.27Å; V150-H152 PolarHBondContact O-N 3.37Å; H152-L154 PolarHBondContact O-N 2.68Å; H152-L155 WeakPolarHBondContact O-CB 3.42Å; H152-L155 PolarHBondContact O-N 2.97Å; H152-I156 PolarHBondContact O-N 3.37Å
153	R	86.8	Confident	87.7	Confident	74 Å²	74	76.2 Å²	76.2	28%	0.279	39%	0.386	S	S	.	.	H	α-helix	trans	-56.8	-39.5	-178.9	-66.9	175.9	-174.1	167.3	-4.9	112.4	N144 F145 I148 P149 L155 I156 T157	N144-R153 HydrophobicContact CB-CB 4.45Å; N144-R153 HydrophobicContact CB-CG 4.12Å; N144-R153 WeakPolarHBondContact O-CD 3.36Å; N144-R153 PolarHBondContact O-NE 3.27Å; F145-R153 PolarHBondContact O-NH2 2.91Å; I148-R153 HydrophobicContact CB-CG 4.06Å; I148-R153 HydrophobicContact CG2-CB 4.47Å; I148-R153 HydrophobicContact CG2-CG 3.85Å; I148-R153 PolarHBondContact O-NE 3.4Å; I148-R153 PolarHBondContact O-NH2 3.03Å; P149-R153 PolarHBondContact O-N 2.92Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 3.46Å; R153-I156 PolarHBondContact O-N 2.89Å; R153-T157 WeakPolarHBondContact O-CB 3.43Å; R153-T157 PolarHBondContact O-N 3.05Å; R153-T157 PolarHBondContact O-OG1 3.48Å
154	L	84.6	Confident	87.8	Confident	116 Å²	116	72.3 Å²	72.3	61%	0.607	37%	0.368	S	S	*	.	H	α-helix	trans	-63	-42.2	178	-177.1	60.8	0	0	0	111.3	H152 T157 K158	H152-L154 PolarHBondContact O-N 2.68Å; L154-T157 PolarHBondContact O-N 2.93Å; L154-K158 HydrophobicContact CD1-CD 4.47Å; L154-K158 HydrophobicContact CD1-CG 4.02Å; L154-K158 HydrophobicContact CG-CG 4.24Å; L154-K158 WeakPolarHBondContact O-CB 3.38Å; L154-K158 WeakPolarHBondContact O-CG 3.38Å; L154-K158 PolarHBondContact O-N 3.36Å
155	L	88.6	Confident	87.9	Confident	111 Å²	111	73.2 Å²	73.2	58%	0.581	37%	0.373	S	S	*	.	H	α-helix	trans	-61.4	-49.8	179.9	-178.1	63.9	0	0	0	111	H152 R153 T157 K158 C159	H152-L155 WeakPolarHBondContact O-CB 3.42Å; H152-L155 PolarHBondContact O-N 2.97Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 3.46Å; L155-T157 PolarHBondContact O-N 3.03Å; L155-K158 PolarHBondContact O-N 3.21Å; L155-K158 VanDerWaalsContact O-N 3.16Å; L155-C159 PolarHBondContact O-N 3.43Å; L155-C159 PolarHBondContact O-SG 3.27Å; L155-C159 VanDerWaalsContact O-SG 3.36Å
156	I	89.2	Confident	88.2	Confident	55 Å²	55	71.2 Å²	71.2	28%	0.282	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-49.2	179	-61.6	-58.4	0	0	0	111.2	I148 H152 R153 K158 C159 V160	I148-I156 HydrophobicContact CD1-CG1 4.44Å; I148-I156 HydrophobicContact CG1-CG1 4.31Å; I148-I156 HydrophobicContact CG2-CG1 4.26Å; H152-I156 PolarHBondContact O-N 3.37Å; R153-I156 PolarHBondContact O-N 2.89Å; I156-K158 PolarHBondContact O-N 3.48Å; I156-C159 PolarHBondContact O-N 3.4Å; I156-V160 HydrophobicContact CG2-CG2 4.43Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.45Å
157	T	88.6	Confident	88.4	Confident	37 Å²	37	65.8 Å²	65.8	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-37.9	177.7	-61.4	0	0	0	0	112	W137 N144 R153 L154 L155 G161	W137-T157 HydrophobicContact CZ3-CG2 4Å; N144-T157 PolarHBondContact ND2-OG1 3.48Å; R153-T157 WeakPolarHBondContact O-CB 3.43Å; R153-T157 PolarHBondContact O-N 3.05Å; R153-T157 PolarHBondContact O-OG1 3.48Å; L154-T157 PolarHBondContact O-N 2.93Å; L155-T157 PolarHBondContact O-N 3.03Å; T157-G161 PolarHBondContact O-N 3.11Å
158	K	87.4	Confident	88.4	Confident	76 Å²	76	61.9 Å²	61.9	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-70.9	-42.1	178.7	-67	-75.8	174	-168.9	0	111.6	M24 L154 L155 I156 G161 F162	M24-K158 HydrophobicContact CE-CD 3.25Å; M24-K158 HydrophobicContact CE-CG 4.46Å; M24-K158 HydrophobicContact SD-CD 4.45Å; L154-K158 HydrophobicContact CD1-CD 4.47Å; L154-K158 HydrophobicContact CD1-CG 4.02Å; L154-K158 HydrophobicContact CG-CG 4.24Å; L154-K158 WeakPolarHBondContact O-CB 3.38Å; L154-K158 WeakPolarHBondContact O-CG 3.38Å; L154-K158 PolarHBondContact O-N 3.36Å; L155-K158 PolarHBondContact O-N 3.21Å; L155-K158 VanDerWaalsContact O-N 3.16Å; I156-K158 PolarHBondContact O-N 3.48Å; K158-G161 PolarHBondContact O-N 3.03Å; K158-F162 VanDerWaalsContact O-CD2 3.26Å; K158-F162 WeakPolarHBondContact O-CD2 3.46Å; K158-F162 PolarHBondContact O-N 3.07Å
159	C	90.6	Very high	88.5	Confident	68 Å²	68	60.8 Å²	60.8	46%	0.459	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-48.9	174.1	-67.9	0	0	0	0	111.9	L155 I156 G161 F162 L163	L155-C159 PolarHBondContact O-N 3.43Å; L155-C159 PolarHBondContact O-SG 3.27Å; L155-C159 VanDerWaalsContact O-SG 3.36Å; I156-C159 PolarHBondContact O-N 3.4Å; C159-G161 VanDerWaalsContact C-N 3.27Å; C159-G161 PolarHBondContact O-N 3.09Å; C159-F162 PolarHBondContact O-N 3.27Å; C159-L163 PolarHBondContact O-N 3.29Å
160	V	92	Very high	88.8	Confident	30 Å²	30	61.3 Å²	61.3	18%	0.182	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-38.1	175.7	176.3	0	0	0	0	110.9	V136 W137 V140 I156 F162 L163 W164	V136-V160 HydrophobicContact CG1-CG1 3.9Å; W137-V160 HydrophobicContact CH2-CG1 4.38Å; W137-V160 HydrophobicContact CZ3-CG1 4.43Å; V140-V160 HydrophobicContact CG1-CG2 4.33Å; V140-V160 HydrophobicContact CG2-CB 4.47Å; V140-V160 HydrophobicContact CG2-CG1 3.85Å; V140-V160 HydrophobicContact CG2-CG2 4.11Å; I156-V160 HydrophobicContact CG2-CG2 4.43Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.45Å; V160-F162 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 2.97Å; V160-L163 PolarHBondContact O-N 3.3Å; V160-W164 WeakPolarHBondContact O-CB 3.39Å; V160-W164 PolarHBondContact O-N 2.91Å
161	G	89.6	Confident	89.1	Confident	8 Å²	8	60 Å²	60	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-38.2	175.4	0	0	0	0	0	113.4	T157 K158 C159 W164 N165	T157-G161 PolarHBondContact O-N 3.11Å; K158-G161 PolarHBondContact O-N 3.03Å; C159-G161 VanDerWaalsContact C-N 3.27Å; C159-G161 PolarHBondContact O-N 3.09Å; G161-W164 PolarHBondContact O-N 2.87Å; G161-N165 PolarHBondContact O-N 3.46Å; G161-N165 PolarHBondContact O-ND2 3.39Å
162	F	88.1	Confident	89.2	Confident	68 Å²	68	53.8 Å²	53.8	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-49.4	173.1	-84.2	-72.7	0	0	0	111.6	M24 K158 C159 V160 W164 N165 T166	M24-F162 HydrophobicContact CE-CE2 4.29Å; M24-F162 HydrophobicContact CE-CZ 4.49Å; M24-F162 HydrophobicContact CG-CZ 4.47Å; K158-F162 VanDerWaalsContact O-CD2 3.26Å; K158-F162 WeakPolarHBondContact O-CD2 3.46Å; K158-F162 PolarHBondContact O-N 3.07Å; C159-F162 PolarHBondContact O-N 3.27Å; V160-F162 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 2.97Å; F162-W164 PolarHBondContact O-N 3.26Å; F162-N165 PolarHBondContact O-N 3.36Å; F162-T166 PolarHBondContact O-N 2.93Å; F162-T166 PolarHBondContact O-OG1 3.14Å
163	L	92	Very high	89.1	Confident	126 Å²	126	49.9 Å²	49.9	66%	0.66	25%	0.246	S	C	*	.	H	α-helix	trans	-58.4	-40	177	-63.4	175.7	0	0	0	111.7	C159 V160 T166 F167	C159-L163 PolarHBondContact O-N 3.29Å; V160-L163 PolarHBondContact O-N 3.3Å; L163-T166 PolarHBondContact O-N 2.96Å; L163-F167 WeakPolarHBondContact O-CB 3.27Å; L163-F167 PolarHBondContact O-N 3.46Å
164	W	92.2	Very high	88.6	Confident	18 Å²	18	52.6 Å²	52.6	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-45.9	177.1	-175.1	-105.9	0	0	0	112.4	Y100 A132 N133 V136 W137 V160 G161 F162 T166 F167 L168	Y100-W164 HydrophobicContact CE1-CZ2 4.34Å; Y100-W164 AromaticContact CZ-CZ2 3.89Å; Y100-W164 VanDerWaalsContact OH-CE2 3.3Å; Y100-W164 WeakPolarHBondContact OH-CZ2 3.37Å; Y100-W164 PolarHBondContact OH-NE1 3.17Å; A132-W164 HydrophobicContact CB-CH2 3.81Å; A132-W164 HydrophobicContact CB-CZ3 4.01Å; N133-W164 VanDerWaalsContact CA-CH2 3.45Å; N133-W164 HydrophobicContact CB-CH2 3.73Å; N133-W164 HydrophobicContact CB-CZ2 3.69Å; V136-W164 HydrophobicContact CB-CE3 4.36Å; V136-W164 HydrophobicContact CB-CZ3 4.3Å; V136-W164 HydrophobicContact CG1-CE3 4.35Å; V136-W164 HydrophobicContact CG2-CE3 4.26Å; V136-W164 HydrophobicContact CG2-CZ3 4.01Å; W137-W164 HydrophobicContact CZ2-CB 4.09Å; W137-W164 AromaticContact CZ2-CG 3.99Å; W137-W164 HydrophobicContact CZ2-CG 3.99Å; W137-W164 AromaticContact NE1-CD1 3.94Å; W137-W164 AromaticContact NE1-CD2 3.76Å; W137-W164 AromaticContact NE1-CE2 3.81Å; W137-W164 AromaticContact NE1-CG 3.9Å; W137-W164 AromaticContact NE1-NE1 3.82Å; V160-W164 WeakPolarHBondContact O-CB 3.39Å; V160-W164 PolarHBondContact O-N 2.91Å; G161-W164 PolarHBondContact O-N 2.87Å; F162-W164 PolarHBondContact O-N 3.26Å; W164-T166 VanDerWaalsContact C-N 3.33Å; W164-T166 PolarHBondContact O-N 3.47Å; W164-F167 HydrophobicContact CE3-CD1 4.04Å; W164-F167 HydrophobicContact CH2-CD1 4.09Å; W164-F167 AromaticContact CH2-CE1 3.85Å; W164-F167 HydrophobicContact CH2-CE1 3.85Å; W164-F167 AromaticContact CZ3-CD1 3.8Å; W164-F167 HydrophobicContact CZ3-CD1 3.8Å; W164-F167 AromaticContact CZ3-CE1 3.81Å; W164-F167 HydrophobicContact CZ3-CE1 3.81Å; W164-F167 PolarHBondContact O-N 3.06Å; W164-L168 HydrophobicContact CZ2-CD2 3.99Å; W164-L168 HydrophobicContact CZ2-CG 4.29Å; W164-L168 WeakPolarHBondContact O-CG 3.35Å; W164-L168 PolarHBondContact O-N 3.44Å
165	N	90.9	Very high	87.3	Confident	20 Å²	20	51.1 Å²	51.1	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-38.6	177.3	-77.5	-63.3	0	0	0	112.1	M25 G161 F162 L168 S169	M25-N165 WeakPolarHBondContact CG-OD1 3.37Å; G161-N165 PolarHBondContact O-N 3.46Å; G161-N165 PolarHBondContact O-ND2 3.39Å; F162-N165 PolarHBondContact O-N 3.36Å; N165-L168 PolarHBondContact O-N 3.47Å; N165-S169 WeakPolarHBondContact O-CB 3.47Å; N165-S169 PolarHBondContact O-N 3.44Å
166	T	90.8	Very high	85.6	Confident	10 Å²	10	49.8 Å²	49.8	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-46.6	172.8	-62.6	0	0	0	0	111.7	G28 I31 I36 F162 L163 W164 S169 W170	G28-T166 WeakPolarHBondContact CA-OG1 3.33Å; G28-T166 VanDerWaalsContact O-CA 3.29Å; G28-T166 WeakPolarHBondContact O-CA 3.46Å; G28-T166 PolarHBondContact O-OG1 2.89Å; G28-T166 VanDerWaalsContact O-OG1 3.04Å; I31-T166 HydrophobicContact CB-CG2 4.31Å; I31-T166 HydrophobicContact CG2-CG2 3.81Å; I36-T166 HydrophobicContact CD1-CG2 3.45Å; I36-T166 VanDerWaalsContact CD1-CG2 3.45Å; I36-T166 HydrophobicContact CG1-CG2 4.22Å; F162-T166 PolarHBondContact O-N 2.93Å; F162-T166 PolarHBondContact O-OG1 3.14Å; L163-T166 PolarHBondContact O-N 2.96Å; W164-T166 VanDerWaalsContact C-N 3.33Å; W164-T166 PolarHBondContact O-N 3.47Å; T166-S169 PolarHBondContact O-N 2.76Å; T166-W170 PolarHBondContact O-N 3.02Å
167	F	92.2	Very high	83.5	Confident	56 Å²	56	50.9 Å²	50.9	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-45.7	175.9	166.5	-100.9	0	0	0	112.6	A132 L163 W164 W170 R171	A132-F167 HydrophobicContact CB-CE1 3.92Å; A132-F167 HydrophobicContact CB-CZ 3.93Å; L163-F167 WeakPolarHBondContact O-CB 3.27Å; L163-F167 PolarHBondContact O-N 3.46Å; W164-F167 HydrophobicContact CE3-CD1 4.04Å; W164-F167 HydrophobicContact CH2-CD1 4.09Å; W164-F167 AromaticContact CH2-CE1 3.85Å; W164-F167 HydrophobicContact CH2-CE1 3.85Å; W164-F167 AromaticContact CZ3-CD1 3.8Å; W164-F167 HydrophobicContact CZ3-CD1 3.8Å; W164-F167 AromaticContact CZ3-CE1 3.81Å; W164-F167 HydrophobicContact CZ3-CE1 3.81Å; W164-F167 PolarHBondContact O-N 3.06Å; F167-W170 HydrophobicContact CD2-CE3 4.32Å; F167-W170 HydrophobicContact CE2-CZ3 4.39Å; F167-W170 PolarHBondContact O-N 3.18Å; F167-R171 VanDerWaalsContact O-CB 3.31Å; F167-R171 WeakPolarHBondContact O-CB 3.21Å; F167-R171 PolarHBondContact O-N 2.93Å
168	L	89.6	Confident	81.4	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-49.7	176.9	-78.6	179.1	0	0	0	110.6	Y100 V129 W164 N165 W170 R171 T172	Y100-L168 HydrophobicContact CE1-CD1 4.32Å; Y100-L168 HydrophobicContact CE1-CD2 4.07Å; V129-L168 HydrophobicContact CG1-CD2 3.55Å; V129-L168 HydrophobicContact CG2-CD2 4.42Å; W164-L168 HydrophobicContact CZ2-CD2 3.99Å; W164-L168 HydrophobicContact CZ2-CG 4.29Å; W164-L168 WeakPolarHBondContact O-CG 3.35Å; W164-L168 PolarHBondContact O-N 3.44Å; N165-L168 PolarHBondContact O-N 3.47Å; L168-W170 PolarHBondContact O-N 3.35Å; L168-R171 PolarHBondContact O-N 3.46Å; L168-T172 WeakPolarHBondContact O-CG2 3.41Å; L168-T172 PolarHBondContact O-N 2.85Å; L168-T172 PolarHBondContact O-OG1 3.48Å
169	S	88.7	Confident	79.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-52.3	178	167.9	0	0	0	0	111.9	D29 S32 R49 F53 N165 T166 R171 T172 N173	D29-S169 WeakPolarHBondContact CA-OG 3.48Å; D29-S169 WeakPolarHBondContact OD1-CB 3.45Å; D29-S169 PolarHBondContact OD1-OG 2.96Å; S32-S169 WeakPolarHBondContact CB-OG 3.37Å; R49-S169 PolarHBondContact NE-OG 3.34Å; R49-S169 VanDerWaalsContact NH2-C 3.33Å; R49-S169 PolarHBondContact NH2-O 2.97Å; R49-S169 VanDerWaalsContact NH2-O 3.07Å; R49-S169 PolarHBondContact NH2-OG 2.97Å; F53-S169 VanDerWaalsContact CZ-CA 3.49Å; N165-S169 WeakPolarHBondContact O-CB 3.47Å; N165-S169 PolarHBondContact O-N 3.44Å; T166-S169 PolarHBondContact O-N 2.76Å; S169-R171 VanDerWaalsContact C-N 3.32Å; S169-R171 PolarHBondContact O-N 3.34Å; S169-T172 PolarHBondContact O-OG1 3.36Å; S169-N173 PolarHBondContact O-N 3.31Å; S169-N173 PolarHBondContact O-ND2 2.98Å
170	W	90.4	Very high	76.8	Confident	75 Å²	75	58.5 Å²	58.5	28%	0.284	30%	0.298	S	S	.	.	H	α-helix	trans	-55.3	-48.9	177.7	173.3	72.7	0	0	0	111.7	S32 I36 T166 F167 L168 N173 R174	S32-W170 VanDerWaalsContact OG-CA 3.27Å; S32-W170 WeakPolarHBondContact OG-CA 3.29Å; S32-W170 VanDerWaalsContact OG-CB 3.3Å; S32-W170 WeakPolarHBondContact OG-CB 3.32Å; S32-W170 PolarHBondContact OG-N 2.97Å; I36-W170 HydrophobicContact CD1-CB 4.38Å; I36-W170 VanDerWaalsContact CG2-CD1 3.44Å; I36-W170 HydrophobicContact CG2-CG 4.01Å; T166-W170 PolarHBondContact O-N 3.02Å; F167-W170 HydrophobicContact CD2-CE3 4.32Å; F167-W170 HydrophobicContact CE2-CZ3 4.39Å; F167-W170 PolarHBondContact O-N 3.18Å; L168-W170 PolarHBondContact O-N 3.35Å; W170-N173 PolarHBondContact O-N 3.39Å; W170-R174 VanDerWaalsContact O-CB 3.31Å; W170-R174 WeakPolarHBondContact O-CB 3.22Å; W170-R174 PolarHBondContact O-N 3.21Å
171	R	88.4	Confident	73.8	Confident	79 Å²	79	69 Å²	69	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-67.5	-44.2	-173.2	-167.1	168.4	-156.3	154.8	17.4	112.6	P128 F167 L168 S169 N173	P128-R171 VanDerWaalsContact CB-NH2 3.33Å; P128-R171 PolarHBondContact O-NH1 2.74Å; F167-R171 VanDerWaalsContact O-CB 3.31Å; F167-R171 WeakPolarHBondContact O-CB 3.21Å; F167-R171 PolarHBondContact O-N 2.93Å; L168-R171 PolarHBondContact O-N 3.46Å; S169-R171 VanDerWaalsContact C-N 3.32Å; S169-R171 PolarHBondContact O-N 3.34Å; R171-N173 PolarHBondContact O-N 3.38Å
172	T	86.1	Confident	73	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-72.1	-13.6	-176.8	57.7	0	0	0	0	113.9	F53 F103 L104 I107 K121 E125 L168 S169	F53-T172 WeakPolarHBondContact CZ-OG1 3.32Å; F103-T172 HydrophobicContact CE1-CG2 3.99Å; L104-T172 HydrophobicContact CD2-CG2 3.94Å; I107-T172 HydrophobicContact CD1-CG2 3.78Å; K121-T172 PolarHBondContact NZ-O 3.38Å; E125-T172 WeakPolarHBondContact OE2-CA 3.15Å; E125-T172 WeakPolarHBondContact OE2-CG2 3.2Å; L168-T172 WeakPolarHBondContact O-CG2 3.41Å; L168-T172 PolarHBondContact O-N 2.85Å; L168-T172 PolarHBondContact O-OG1 3.48Å; S169-T172 PolarHBondContact O-OG1 3.36Å
173	N	84.8	Confident	72.2	Confident	13 Å²	13	72.2 Å²	72.2	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-109	-25.2	-179	-67.9	-80.5	0	0	0	113.4	R49 S169 W170 R171 Q175	R49-N173 VanDerWaalsContact CZ-CB 3.48Å; R49-N173 VanDerWaalsContact CZ-CG 3.45Å; R49-N173 VanDerWaalsContact NE-CG 3.27Å; R49-N173 PolarHBondContact NE-ND2 3.45Å; S169-N173 PolarHBondContact O-N 3.31Å; S169-N173 PolarHBondContact O-ND2 2.98Å; W170-N173 PolarHBondContact O-N 3.39Å; R171-N173 PolarHBondContact O-N 3.38Å; N173-Q175 VanDerWaalsContact C-N 3.31Å; N173-Q175 PolarHBondContact O-N 2.91Å
174	R	75.1	Confident	71.1	Confident	131 Å²	131	69.2 Å²	69.2	49%	0.494	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-32.1	-179.1	-177	177.1	166.6	115.6	3.4	113.9	W170 N176 S177	W170-R174 VanDerWaalsContact O-CB 3.31Å; W170-R174 WeakPolarHBondContact O-CB 3.22Å; W170-R174 PolarHBondContact O-N 3.21Å; R174-N176 PolarHBondContact O-N 3.28Å; R174-N176 VanDerWaalsContact O-N 3.11Å; R174-S177 PolarHBondContact O-N 3.08Å
175	Q	58.1	Low	69.8	Low	84 Å²	84	72.2 Å²	72.2	39%	0.393	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.6	-172	-136.9	154.8	1.8	0	0	114.1	E125 N173	E125-Q175 PolarHBondContact OE1-OE1 3.45Å; N173-Q175 VanDerWaalsContact C-N 3.31Å; N173-Q175 PolarHBondContact O-N 2.91Å
176	N	51.8	Low	68.5	Low	83 Å²	83	75.5 Å²	75.5	44%	0.444	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.8	172.1	-85.7	61.2	0	0	0	114.1	R111 R174	R111-N176 PolarHBondContact NH1-OD1 3.38Å; R111-N176 PolarHBondContact NH2-ND2 3.46Å; R111-N176 PolarHBondContact NH2-OD1 3.24Å; R111-N176 VanDerWaalsContact NH2-OD1 3.09Å; R174-N176 PolarHBondContact O-N 3.28Å; R174-N176 VanDerWaalsContact O-N 3.11Å
177	S	45.8	Very low	67	Low	78 Å²	78	79.9 Å²	79.9	55%	0.545	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.8	-179.1	-56.1	0	0	0	0	113.1	R174	R174-S177 PolarHBondContact O-N 3.08Å
178	D	43.8	Very low	65.2	Low	105 Å²	105	81.6 Å²	81.6	56%	0.561	40%	0.403	S	S	*	.	S	Bend	trans	-91.4	-14.8	-179.7	-72.5	-27.1	0	0	0	113.2
179	N	41.7	Very low	63.4	Low	141 Å²	141	87.2 Å²	87.2	75%	0.754	43%	0.431	S	S	*	.	S	Bend	trans	-95.4	8.4	175.7	-77.4	-0.5	0	0	0	113.8
180	S	39.8	Very low	61.2	Low	96 Å²	96	94.5 Å²	94.5	67%	0.671	47%	0.466	S	S	*	.			trans	-112.9	28.4	176.4	76.7	0	0	0	0	113.4
181	K	29.1	Very low	58.6	Low	249 Å²	249	96.3 Å²	96.3	100%	1.083	48%	0.483	S	S	*	.			trans	-129	0	169.7	-73.6	-173.3	179.3	179.5	0	109.3

Retrieved 181 of 181 residues in 165.6 ms (Link to these results)

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