A0A077Z5V2_TRITR Loading...

Transmembrane BAX inhibitor motif containing

AlphaFold DB , UniProt , Accession A0A077Z5V2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 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	59.9	Low	66.2	Low	198 Å²	198	106.5 Å²	106.5	98%	0.975	60%	0.596	S	S	*	*				0	-65	0	-68.2	-162	73.4	0	0	112.2	N3 D4 A5	M1-N3 PolarHBondContact O-N 3.33Å; M1-D4 WeakPolarHBondContact CA-OD2 3.28Å; M1-D4 PolarHBondContact N-OD2 2.84Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-A5 PolarHBondContact O-N 2.97Å
2	E	64.2	Low	65.7	Low	178 Å²	178	106.1 Å²	106.1	83%	0.832	59%	0.591	S	S	*	*	H	α-helix	trans	-64.7	-39.6	-179.8	-162.5	127.3	113.1	0	0	113.3	D4 A5 A6	E2-D4 VanDerWaalsContact C-N 3.3Å; E2-D4 PolarHBondContact O-N 2.81Å; E2-A5 PolarHBondContact O-N 3.03Å; E2-A6 PolarHBondContact O-N 3.36Å
3	N	67.5	Low	65.3	Low	126 Å²	126	100.5 Å²	100.5	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-69.7	-26.8	178.5	-151.1	19.4	0	0	0	113.2	M1 S7	M1-N3 PolarHBondContact O-N 3.33Å; N3-S7 WeakPolarHBondContact O-CB 3.11Å; N3-S7 PolarHBondContact O-N 3.44Å; N3-S7 VanDerWaalsContact O-N 3.09Å; N3-S7 PolarHBondContact O-OG 3.49Å
4	D	72.5	Confident	64.9	Low	101 Å²	101	99.9 Å²	99.9	54%	0.54	57%	0.566	S	S	.	*	H	α-helix	trans	-74.7	-38.7	178.6	-55.8	-54.1	0	0	0	111.1	M1 E2 T8	M1-D4 WeakPolarHBondContact CA-OD2 3.28Å; M1-D4 PolarHBondContact N-OD2 2.84Å; M1-D4 PolarHBondContact O-N 3.31Å; E2-D4 VanDerWaalsContact C-N 3.3Å; E2-D4 PolarHBondContact O-N 2.81Å; D4-T8 VanDerWaalsContact O-CB 3.29Å; D4-T8 WeakPolarHBondContact O-CB 3.46Å; D4-T8 PolarHBondContact O-N 3.3Å; D4-T8 PolarHBondContact O-OG1 2.93Å
5	A	74	Confident	64.6	Low	56 Å²	56	102.7 Å²	102.7	46%	0.463	57%	0.57	S	S	.	*	H	α-helix	trans	-67.9	-42.7	177.4	0	0	0	0	0	111.8	M1 E2 T8 T9	M1-A5 PolarHBondContact O-N 2.97Å; E2-A5 PolarHBondContact O-N 3.03Å; A5-T8 PolarHBondContact O-N 3.12Å; A5-T9 WeakPolarHBondContact O-CB 3.47Å; A5-T9 PolarHBondContact O-N 2.95Å; A5-T9 PolarHBondContact O-OG1 2.78Å
6	A	71.8	Confident	64.4	Low	49 Å²	49	102.4 Å²	102.4	41%	0.405	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-46.3	175.2	0	0	0	0	0	111.5	E2 T9 I10	E2-A6 PolarHBondContact O-N 3.36Å; A6-T9 PolarHBondContact O-N 3.25Å; A6-I10 WeakPolarHBondContact O-CG1 3.34Å; A6-I10 PolarHBondContact O-N 2.73Å
7	S	62.9	Low	64.2	Low	55 Å²	55	100.6 Å²	100.6	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-60.2	-48.3	175.4	-59.1	0	0	0	0	110.9	N3 T9 I10 L11	N3-S7 WeakPolarHBondContact O-CB 3.11Å; N3-S7 PolarHBondContact O-N 3.44Å; N3-S7 VanDerWaalsContact O-N 3.09Å; N3-S7 PolarHBondContact O-OG 3.49Å; S7-T9 VanDerWaalsContact C-N 3.29Å; S7-T9 PolarHBondContact O-N 3.49Å; S7-I10 PolarHBondContact O-N 3.45Å; S7-L11 WeakPolarHBondContact O-CB 3.29Å; S7-L11 WeakPolarHBondContact O-CD2 3.44Å; S7-L11 PolarHBondContact O-N 3.24Å
8	T	68	Low	64.1	Low	79 Å²	79	97.7 Å²	97.7	49%	0.485	54%	0.54	S	S	.	.	H	α-helix	trans	-59.8	-40	178.4	-54.7	0	0	0	0	111.6	D4 A5 L11 L12	D4-T8 VanDerWaalsContact O-CB 3.29Å; D4-T8 WeakPolarHBondContact O-CB 3.46Å; D4-T8 PolarHBondContact O-N 3.3Å; D4-T8 PolarHBondContact O-OG1 2.93Å; A5-T8 PolarHBondContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 3.16Å; T8-L12 HydrophobicContact CG2-CD1 3.89Å; T8-L12 HydrophobicContact CG2-CG 4.2Å; T8-L12 VanDerWaalsContact O-CB 3.28Å; T8-L12 WeakPolarHBondContact O-CB 3.14Å; T8-L12 WeakPolarHBondContact O-CG 3.27Å; T8-L12 PolarHBondContact O-N 3.44Å
9	T	64.3	Low	63.9	Low	96 Å²	96	99.6 Å²	99.6	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-67.5	-39.9	178.2	-52.5	0	0	0	0	112	A5 A6 S7 L12 G13	A5-T9 WeakPolarHBondContact O-CB 3.47Å; A5-T9 PolarHBondContact O-N 2.95Å; A5-T9 PolarHBondContact O-OG1 2.78Å; A6-T9 PolarHBondContact O-N 3.25Å; S7-T9 VanDerWaalsContact C-N 3.29Å; S7-T9 PolarHBondContact O-N 3.49Å; T9-L12 PolarHBondContact O-N 3.42Å; T9-G13 PolarHBondContact O-N 3.08Å
10	I	62.8	Low	63.7	Low	122 Å²	122	101.6 Å²	101.6	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-65.5	-42.8	174.8	-67.1	172	0	0	0	110.6	A6 S7 G13 D14	A6-I10 WeakPolarHBondContact O-CG1 3.34Å; A6-I10 PolarHBondContact O-N 2.73Å; S7-I10 PolarHBondContact O-N 3.45Å; I10-G13 PolarHBondContact O-N 2.94Å; I10-D14 PolarHBondContact O-N 3.09Å
11	L	60	Low	63.9	Low	112 Å²	112	102.5 Å²	102.5	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-66.7	-39.1	178.2	-85.1	-61.5	0	0	0	111.6	S7 T8 F15	S7-L11 WeakPolarHBondContact O-CB 3.29Å; S7-L11 WeakPolarHBondContact O-CD2 3.44Å; S7-L11 PolarHBondContact O-N 3.24Å; T8-L11 PolarHBondContact O-N 3.16Å; L11-F15 VanDerWaalsContact O-CB 3.24Å; L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 2.93Å
12	L	60.8	Low	64.6	Low	101 Å²	101	93.2 Å²	93.2	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-67	-42.8	173.9	-74.7	172.8	0	0	0	111.3	T8 T9 F15 D16	T8-L12 HydrophobicContact CG2-CD1 3.89Å; T8-L12 HydrophobicContact CG2-CG 4.2Å; T8-L12 VanDerWaalsContact O-CB 3.28Å; T8-L12 WeakPolarHBondContact O-CB 3.14Å; T8-L12 WeakPolarHBondContact O-CG 3.27Å; T8-L12 PolarHBondContact O-N 3.44Å; T9-L12 PolarHBondContact O-N 3.42Å; L12-F15 PolarHBondContact O-N 2.91Å; L12-D16 WeakPolarHBondContact O-CB 3.39Å; L12-D16 PolarHBondContact O-N 3.4Å
13	G	59.8	Low	64.9	Low	33 Å²	33	84.9 Å²	84.9	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-46.6	176.8	0	0	0	0	0	112.6	T9 I10 F15 D16 D17	T9-G13 PolarHBondContact O-N 3.08Å; I10-G13 PolarHBondContact O-N 2.94Å; G13-F15 VanDerWaalsContact C-N 3.31Å; G13-F15 PolarHBondContact O-N 3.34Å; G13-D16 PolarHBondContact O-N 3.11Å; G13-D17 VanDerWaalsContact O-CB 3.29Å; G13-D17 WeakPolarHBondContact O-CB 3.45Å; G13-D17 PolarHBondContact O-N 2.94Å
14	D	60.6	Low	65.1	Low	93 Å²	93	83.3 Å²	83.3	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-67.2	-33.1	176.3	-166.8	34.8	0	0	0	111.8	I10 N18	I10-D14 PolarHBondContact O-N 3.09Å; D14-N18 WeakPolarHBondContact O-CB 3.37Å; D14-N18 VanDerWaalsContact O-CG 3.31Å; D14-N18 PolarHBondContact O-N 3.41Å; D14-N18 PolarHBondContact O-ND2 3.4Å; D14-N18 PolarHBondContact OD1-ND2 3.45Å
15	F	60.1	Low	65.3	Low	141 Å²	141	83.9 Å²	83.9	62%	0.618	45%	0.445	S	S	*	.	H	α-helix	trans	-67.9	-46.3	173.9	-173	-93.5	0	0	0	112.3	L11 L12 G13 N18 Y19	L11-F15 VanDerWaalsContact O-CB 3.24Å; L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 2.93Å; L12-F15 PolarHBondContact O-N 2.91Å; G13-F15 VanDerWaalsContact C-N 3.31Å; G13-F15 PolarHBondContact O-N 3.34Å; F15-N18 PolarHBondContact O-N 3.47Å; F15-Y19 VanDerWaalsContact O-CB 3.29Å; F15-Y19 WeakPolarHBondContact O-CB 3.28Å; F15-Y19 PolarHBondContact O-N 3.11Å
16	D	60.9	Low	65.4	Low	98 Å²	98	83 Å²	83	52%	0.524	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-42.9	176.2	-90.5	-18.9	0	0	0	110.9	L12 G13 N18 Y19 E20	L12-D16 WeakPolarHBondContact O-CB 3.39Å; L12-D16 PolarHBondContact O-N 3.4Å; G13-D16 PolarHBondContact O-N 3.11Å; D16-N18 PolarHBondContact O-N 2.99Å; D16-Y19 CarbonylContact O-C 3.58Å; D16-Y19 PolarHBondContact O-N 3.19Å; D16-E20 VanDerWaalsContact O-CB 3.27Å; D16-E20 WeakPolarHBondContact O-CB 3.27Å; D16-E20 PolarHBondContact O-N 3.39Å
17	D	61.9	Low	65.7	Low	72 Å²	72	86.2 Å²	86.2	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-57.8	-48.1	174.9	-98.8	32.5	0	0	0	111.9	G13 E20 K21	G13-D17 VanDerWaalsContact O-CB 3.29Å; G13-D17 WeakPolarHBondContact O-CB 3.45Å; G13-D17 PolarHBondContact O-N 2.94Å; D17-E20 PolarHBondContact O-N 3.38Å; D17-K21 WeakPolarHBondContact O-CB 3.38Å; D17-K21 WeakPolarHBondContact O-CD 3.41Å; D17-K21 WeakPolarHBondContact O-CG 3.44Å; D17-K21 PolarHBondContact O-N 3.38Å; D17-K21 IonicContact OD2-NZ 2.66Å; D17-K21 PolarHBondContact OD2-NZ 3.02Å; D17-K21 VanDerWaalsContact OD2-NZ 3.15Å
18	N	62.6	Low	66.5	Low	49 Å²	49	88.2 Å²	88.2	26%	0.262	45%	0.452	S	S	.	.	H	α-helix	trans	-69	-35.8	179.3	-73.9	-53.1	0	0	0	111.3	D14 F15 D16 K21 S22	D14-N18 WeakPolarHBondContact O-CB 3.37Å; D14-N18 VanDerWaalsContact O-CG 3.31Å; D14-N18 PolarHBondContact O-N 3.41Å; D14-N18 PolarHBondContact O-ND2 3.4Å; D14-N18 PolarHBondContact OD1-ND2 3.45Å; F15-N18 PolarHBondContact O-N 3.47Å; D16-N18 PolarHBondContact O-N 2.99Å; N18-K21 CarbonylContact O-C 3.55Å; N18-K21 PolarHBondContact O-N 3.14Å; N18-S22 PolarHBondContact O-N 3.47Å; N18-S22 VanDerWaalsContact O-N 3.09Å
19	Y	59.7	Low	67.2	Low	133 Å²	133	88.5 Å²	88.5	52%	0.522	46%	0.457	S	S	.	.	H	α-helix	trans	-68.8	-35.9	174.7	-177.3	-113.3	0	0	0	112.4	F15 D16 S22 K25	F15-Y19 VanDerWaalsContact O-CB 3.29Å; F15-Y19 WeakPolarHBondContact O-CB 3.28Å; F15-Y19 PolarHBondContact O-N 3.11Å; D16-Y19 CarbonylContact O-C 3.58Å; D16-Y19 PolarHBondContact O-N 3.19Å; Y19-S22 WeakPolarHBondContact O-CB 3.49Å; Y19-S22 PolarHBondContact O-N 2.98Å; Y19-S22 PolarHBondContact O-OG 3.38Å; Y19-K25 VanDerWaalsContact CD1-NZ 3.34Å; Y19-K25 VanDerWaalsContact CE1-NZ 3.27Å
20	E	60.9	Low	68.1	Low	140 Å²	140	88 Å²	88	65%	0.654	45%	0.45	S	S	*	.	H	α-helix	trans	-68.5	-37.2	174	-160.5	174.8	-167.7	0	0	111.4	D16 D17 S22	D16-E20 VanDerWaalsContact O-CB 3.27Å; D16-E20 WeakPolarHBondContact O-CB 3.27Å; D16-E20 PolarHBondContact O-N 3.39Å; D17-E20 PolarHBondContact O-N 3.38Å; E20-S22 VanDerWaalsContact C-N 3.29Å; E20-S22 PolarHBondContact O-N 3.04Å
21	K	67.9	Low	69.1	Low	120 Å²	120	86.2 Å²	86.2	52%	0.522	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.1	175.5	-67.4	167	-171.3	156.6	0	114.5	D17 N18 S206	D17-K21 WeakPolarHBondContact O-CB 3.38Å; D17-K21 WeakPolarHBondContact O-CD 3.41Å; D17-K21 WeakPolarHBondContact O-CG 3.44Å; D17-K21 PolarHBondContact O-N 3.38Å; D17-K21 IonicContact OD2-NZ 2.66Å; D17-K21 PolarHBondContact OD2-NZ 3.02Å; D17-K21 VanDerWaalsContact OD2-NZ 3.15Å; N18-K21 CarbonylContact O-C 3.55Å; N18-K21 PolarHBondContact O-N 3.14Å; K21-S206 WeakPolarHBondContact O-CA 3.39Å; K21-S206 VanDerWaalsContact O-CB 3.32Å; K21-S206 WeakPolarHBondContact O-CB 3.4Å
22	S	73	Confident	70.3	Confident	4 Å²	4	87.7 Å²	87.7	3%	0.028	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-65.6	137.4	-179.8	66.9	0	0	0	0	111.7	N18 Y19 E20 H24 K25 K204	N18-S22 PolarHBondContact O-N 3.47Å; N18-S22 VanDerWaalsContact O-N 3.09Å; Y19-S22 WeakPolarHBondContact O-CB 3.49Å; Y19-S22 PolarHBondContact O-N 2.98Å; Y19-S22 PolarHBondContact O-OG 3.38Å; E20-S22 VanDerWaalsContact C-N 3.29Å; E20-S22 PolarHBondContact O-N 3.04Å; S22-H24 PolarHBondContact O-N 3.47Å; S22-H24 VanDerWaalsContact O-N 3.07Å; S22-K25 PolarHBondContact O-N 3.06Å; S22-K25 VanDerWaalsContact O-N 3.13Å; S22-K204 WeakPolarHBondContact CB-O 3.38Å
23	V	72	Confident	71.6	Confident	3 Å²	3	84.6 Å²	84.6	2%	0.018	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-62.8	-20.7	-175.8	172.1	0	0	0	0	112.6	K25 A26 R31 F34 L205 A207	V23-K25 VanDerWaalsContact C-N 3.25Å; V23-K25 PolarHBondContact O-N 2.85Å; V23-A26 WeakPolarHBondContact O-CB 3.48Å; V23-A26 PolarHBondContact O-N 3.42Å; V23-A26 VanDerWaalsContact O-N 3.12Å; V23-R31 VanDerWaalsContact CG1-CA 3.4Å; V23-R31 HydrophobicContact CG1-CB 3.59Å; V23-R31 HydrophobicContact CG1-CG 3.72Å; V23-F34 HydrophobicContact CB-CD1 4.28Å; V23-F34 HydrophobicContact CG1-CB 4.41Å; V23-F34 HydrophobicContact CG1-CD1 4.03Å; V23-F34 HydrophobicContact CG2-CD1 3.85Å; V23-F34 HydrophobicContact CG2-CE1 4.06Å; V23-F34 HydrophobicContact CG2-CG 4.14Å; V23-L205 WeakPolarHBondContact CB-O 3.34Å; V23-L205 VanDerWaalsContact CG2-O 3.26Å; V23-L205 WeakPolarHBondContact CG2-O 3.41Å; V23-L205 PolarHBondContact N-O 2.94Å; V23-A207 HydrophobicContact CG2-CB 3.86Å
24	H	71.7	Confident	73	Confident	92 Å²	92	83.5 Å²	83.5	43%	0.426	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-62.6	-30	177.1	-176.2	-88.6	0	0	0	113.6	S22 H203	S22-H24 PolarHBondContact O-N 3.47Å; S22-H24 VanDerWaalsContact O-N 3.07Å; H24-H203 VanDerWaalsContact CB-O 3.29Å; H24-H203 WeakPolarHBondContact CB-O 3.45Å; H24-H203 AromaticContact CD2-CD2 3.64Å
25	K	75	Confident	74.5	Confident	113 Å²	113	80.9 Å²	80.9	49%	0.491	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-86.4	-13.3	175.7	-68.6	-179.5	178.9	170.9	0	113.2	Y19 S22 V23	Y19-K25 VanDerWaalsContact CD1-NZ 3.34Å; Y19-K25 VanDerWaalsContact CE1-NZ 3.27Å; S22-K25 PolarHBondContact O-N 3.06Å; S22-K25 VanDerWaalsContact O-N 3.13Å; V23-K25 VanDerWaalsContact C-N 3.25Å; V23-K25 PolarHBondContact O-N 2.85Å
26	A	76.4	Confident	76	Confident	38 Å²	38	83 Å²	83	31%	0.314	40%	0.401	S	S	.	.	S	Bend	trans	-76.6	162.4	180	0	0	0	0	0	111.6	V23 I30	V23-A26 WeakPolarHBondContact O-CB 3.48Å; V23-A26 PolarHBondContact O-N 3.42Å; V23-A26 VanDerWaalsContact O-N 3.12Å; A26-I30 HydrophobicContact CB-CB 4.1Å; A26-I30 HydrophobicContact CB-CD1 4.35Å; A26-I30 HydrophobicContact CB-CG2 4.02Å
27	D	78.2	Confident	77.5	Confident	117 Å²	117	82.5 Å²	82.5	63%	0.626	39%	0.394	S	S	*	.			trans	-53.9	146	174	-75.7	-30.7	0	0	0	111.6	S29 I30 R31	D27-S29 PolarHBondContact O-N 3.35Å; D27-S29 VanDerWaalsContact O-N 3.09Å; D27-I30 HydrophobicContact CB-CD1 4.32Å; D27-I30 HydrophobicContact CB-CG1 4.36Å; D27-I30 WeakPolarHBondContact O-CB 3.16Å; D27-I30 PolarHBondContact O-N 3.33Å; D27-R31 PolarHBondContact O-N 3.41Å; D27-R31 VanDerWaalsContact O-N 3.07Å
28	E	80.7	Confident	79	Confident	97 Å²	97	79.1 Å²	79.1	45%	0.453	38%	0.376	S	S	.	.	H	α-helix	trans	-57.1	-32.4	-177	179.4	166.7	-149.3	0	0	112.8	R31 R32	E28-R31 PolarHBondContact O-N 3Å; E28-R31 IonicContact OE1-NH2 3.15Å; E28-R32 HydrophobicContact CG-CG 4.24Å; E28-R32 WeakPolarHBondContact O-CB 3.41Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.3Å; E28-R32 PolarHBondContact O-N 3.36Å; E28-R32 IonicContact OE1-CZ 3.9Å; E28-R32 VanDerWaalsContact OE1-CZ 3.23Å; E28-R32 IonicContact OE1-NE 3.6Å; E28-R32 PolarHBondContact OE1-NE 2.96Å; E28-R32 IonicContact OE1-NH2 3.23Å; E28-R32 PolarHBondContact OE1-NH2 2.84Å; E28-R32 IonicContact OE2-NH2 3.82Å
29	S	82.6	Confident	80.5	Confident	85 Å²	85	78.8 Å²	78.8	59%	0.594	37%	0.374	S	S	*	.	H	α-helix	trans	-61.8	-43.2	174.8	58.6	0	0	0	0	112.1	D27 G33	D27-S29 PolarHBondContact O-N 3.35Å; D27-S29 VanDerWaalsContact O-N 3.09Å; S29-G33 PolarHBondContact O-N 2.85Å
30	I	82.5	Confident	82.3	Confident	85 Å²	85	74.2 Å²	74.2	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-66.1	-46.1	177.5	-61.1	175.6	0	0	0	109.5	A26 D27 R32 G33 F34	A26-I30 HydrophobicContact CB-CB 4.1Å; A26-I30 HydrophobicContact CB-CD1 4.35Å; A26-I30 HydrophobicContact CB-CG2 4.02Å; D27-I30 HydrophobicContact CB-CD1 4.32Å; D27-I30 HydrophobicContact CB-CG1 4.36Å; D27-I30 WeakPolarHBondContact O-CB 3.16Å; D27-I30 PolarHBondContact O-N 3.33Å; I30-R32 PolarHBondContact O-N 3.21Å; I30-G33 PolarHBondContact O-N 3.08Å; I30-F34 WeakPolarHBondContact O-CB 3.32Å; I30-F34 PolarHBondContact O-N 3.02Å
31	R	84.3	Confident	83.9	Confident	84 Å²	84	69.2 Å²	69.2	32%	0.317	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-48.3	177.9	-179.4	174.8	70.3	-179.2	0.9	112.8	V23 D27 E28 G33 F34 L35	V23-R31 VanDerWaalsContact CG1-CA 3.4Å; V23-R31 HydrophobicContact CG1-CB 3.59Å; V23-R31 HydrophobicContact CG1-CG 3.72Å; D27-R31 PolarHBondContact O-N 3.41Å; D27-R31 VanDerWaalsContact O-N 3.07Å; E28-R31 PolarHBondContact O-N 3Å; E28-R31 IonicContact OE1-NH2 3.15Å; R31-G33 VanDerWaalsContact C-N 3.32Å; R31-G33 PolarHBondContact O-N 3.45Å; R31-F34 PolarHBondContact O-N 3.12Å; R31-L35 WeakPolarHBondContact O-CB 3.36Å; R31-L35 PolarHBondContact O-N 2.91Å
32	R	85.3	Confident	85.3	Confident	144 Å²	144	63.6 Å²	63.6	54%	0.543	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-35.9	177.6	-69.6	177.4	-176.2	-165.4	5.1	111.7	E28 I30 R36	E28-R32 HydrophobicContact CG-CG 4.24Å; E28-R32 WeakPolarHBondContact O-CB 3.41Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.3Å; E28-R32 PolarHBondContact O-N 3.36Å; E28-R32 IonicContact OE1-CZ 3.9Å; E28-R32 VanDerWaalsContact OE1-CZ 3.23Å; E28-R32 IonicContact OE1-NE 3.6Å; E28-R32 PolarHBondContact OE1-NE 2.96Å; E28-R32 IonicContact OE1-NH2 3.23Å; E28-R32 PolarHBondContact OE1-NH2 2.84Å; E28-R32 IonicContact OE2-NH2 3.82Å; I30-R32 PolarHBondContact O-N 3.21Å; R32-R36 VanDerWaalsContact O-CB 3.29Å; R32-R36 WeakPolarHBondContact O-CB 3.16Å; R32-R36 PolarHBondContact O-N 2.71Å
33	G	88.4	Confident	86.4	Confident	35 Å²	35	65.9 Å²	65.9	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-46.2	175.4	0	0	0	0	0	112.6	S29 I30 R31 R36 K37	S29-G33 PolarHBondContact O-N 2.85Å; I30-G33 PolarHBondContact O-N 3.08Å; R31-G33 VanDerWaalsContact C-N 3.32Å; R31-G33 PolarHBondContact O-N 3.45Å; G33-R36 PolarHBondContact O-N 2.97Å; G33-K37 WeakPolarHBondContact O-CB 3.28Å; G33-K37 PolarHBondContact O-N 3.21Å
34	F	88.9	Confident	87.6	Confident	11 Å²	11	70.4 Å²	70.4	5%	0.048	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-49.7	175.5	173.4	-114.8	0	0	0	112	V23 I30 R31 R36 K37 V38 L201 L205 S206 A207	V23-F34 HydrophobicContact CB-CD1 4.28Å; V23-F34 HydrophobicContact CG1-CB 4.41Å; V23-F34 HydrophobicContact CG1-CD1 4.03Å; V23-F34 HydrophobicContact CG2-CD1 3.85Å; V23-F34 HydrophobicContact CG2-CE1 4.06Å; V23-F34 HydrophobicContact CG2-CG 4.14Å; I30-F34 WeakPolarHBondContact O-CB 3.32Å; I30-F34 PolarHBondContact O-N 3.02Å; R31-F34 PolarHBondContact O-N 3.12Å; F34-R36 VanDerWaalsContact C-N 3.35Å; F34-R36 PolarHBondContact O-N 3.43Å; F34-K37 WeakPolarHBondContact O-CB 3.3Å; F34-K37 PolarHBondContact O-N 3Å; F34-K37 VanDerWaalsContact O-N 3.12Å; F34-V38 HydrophobicContact CD2-CG2 4.4Å; F34-V38 HydrophobicContact CE2-CG2 4.1Å; F34-V38 HydrophobicContact CZ-CG2 4.28Å; F34-V38 PolarHBondContact O-N 2.95Å; F34-L201 HydrophobicContact CD1-CD1 4Å; F34-L201 HydrophobicContact CE1-CD1 3.19Å; F34-L201 HydrophobicContact CE1-CG 4.2Å; F34-L201 HydrophobicContact CZ-CD1 3.5Å; F34-L201 VanDerWaalsContact CZ-CD1 3.5Å; F34-L205 HydrophobicContact CE1-CB 4.35Å; F34-L205 HydrophobicContact CZ-CB 4.21Å; F34-S206 WeakPolarHBondContact CE2-O 3.1Å; F34-S206 VanDerWaalsContact CZ-O 3.32Å; F34-S206 WeakPolarHBondContact CZ-O 3.34Å; F34-A207 HydrophobicContact CD2-CB 4.29Å
35	L	90.8	Very high	88.9	Confident	38 Å²	38	66.4 Å²	66.4	20%	0.199	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-46.7	177.7	-176.6	62.5	0	0	0	111.3	R31 K37 V38 L39 L143 L198 L201	R31-L35 WeakPolarHBondContact O-CB 3.36Å; R31-L35 PolarHBondContact O-N 2.91Å; L35-K37 VanDerWaalsContact C-N 3.29Å; L35-K37 PolarHBondContact O-N 3.27Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-L39 HydrophobicContact CD1-CD1 3.83Å; L35-L39 HydrophobicContact CD1-CG 3.99Å; L35-L39 HydrophobicContact CD2-CD1 4.48Å; L35-L39 HydrophobicContact CG-CD1 3.82Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.41Å; L35-L143 HydrophobicContact CD1-CD2 4.42Å; L35-L143 HydrophobicContact CD2-CD2 3.91Å; L35-L198 HydrophobicContact CD1-CD1 4.32Å; L35-L201 HydrophobicContact CD1-CD2 3.56Å; L35-L201 HydrophobicContact CD1-CG 4.14Å
36	R	91.9	Very high	89.9	Confident	186 Å²	186	63.4 Å²	63.4	70%	0.702	34%	0.338	S	S	*	.	H	α-helix	trans	-60.6	-38.4	176.9	-171.2	-174.3	-51.2	165.4	6.3	112.3	R32 G33 F34 G40	R32-R36 VanDerWaalsContact O-CB 3.29Å; R32-R36 WeakPolarHBondContact O-CB 3.16Å; R32-R36 PolarHBondContact O-N 2.71Å; G33-R36 PolarHBondContact O-N 2.97Å; F34-R36 VanDerWaalsContact C-N 3.35Å; F34-R36 PolarHBondContact O-N 3.43Å; R36-G40 WeakPolarHBondContact O-CA 3.46Å; R36-G40 PolarHBondContact O-N 3.03Å
37	K	92.4	Very high	90.9	Very high	87 Å²	87	66 Å²	66	38%	0.378	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-49.4	177.8	-172.7	179.9	-178	-174.3	0	111.2	G33 F34 L35 G40 L41 Y210	G33-K37 WeakPolarHBondContact O-CB 3.28Å; G33-K37 PolarHBondContact O-N 3.21Å; F34-K37 WeakPolarHBondContact O-CB 3.3Å; F34-K37 PolarHBondContact O-N 3Å; F34-K37 VanDerWaalsContact O-N 3.12Å; L35-K37 VanDerWaalsContact C-N 3.29Å; L35-K37 PolarHBondContact O-N 3.27Å; K37-G40 PolarHBondContact O-N 2.75Å; K37-L41 HydrophobicContact CG-CD1 4.43Å; K37-L41 VanDerWaalsContact O-CG 3.32Å; K37-L41 WeakPolarHBondContact O-CG 3.26Å; K37-L41 PolarHBondContact O-N 2.86Å; K37-Y210 HydrophobicContact CD-CD2 4.12Å; K37-Y210 HydrophobicContact CD-CE2 4.44Å; K37-Y210 HydrophobicContact CD-CG 4.27Å; K37-Y210 VanDerWaalsContact CE-CE2 3.46Å; K37-Y210 VanDerWaalsContact NZ-CE2 3.32Å; K37-Y210 PolarHBondContact NZ-OH 3.14Å
38	V	94.3	Very high	91.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-49.7	179	172.9	0	0	0	0	110.9	F34 L35 G40 L41 L42 L201 A213 L217	F34-V38 HydrophobicContact CD2-CG2 4.4Å; F34-V38 HydrophobicContact CE2-CG2 4.1Å; F34-V38 HydrophobicContact CZ-CG2 4.28Å; F34-V38 PolarHBondContact O-N 2.95Å; L35-V38 PolarHBondContact O-N 2.96Å; V38-G40 VanDerWaalsContact C-N 3.31Å; V38-G40 PolarHBondContact O-N 3.35Å; V38-L41 PolarHBondContact O-N 3.25Å; V38-L42 WeakPolarHBondContact O-CB 3.4Å; V38-L42 PolarHBondContact O-N 3.43Å; V38-L201 HydrophobicContact CB-CD1 4.11Å; V38-L201 HydrophobicContact CB-CD2 4.05Å; V38-L201 HydrophobicContact CG1-CD1 4.04Å; V38-L201 HydrophobicContact CG1-CD2 3.64Å; V38-L201 HydrophobicContact CG2-CD1 3.77Å; V38-A213 HydrophobicContact CG1-CB 4.41Å; V38-L217 HydrophobicContact CG1-CD1 4.16Å
39	L	94.7	Very high	92.6	Very high	43 Å²	43	59.2 Å²	59.2	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-34.3	179.6	-64.1	-178.4	0	0	0	112.6	L35 L42 A43 F139	L35-L39 HydrophobicContact CD1-CD1 3.83Å; L35-L39 HydrophobicContact CD1-CG 3.99Å; L35-L39 HydrophobicContact CD2-CD1 4.48Å; L35-L39 HydrophobicContact CG-CD1 3.82Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.41Å; L39-L42 HydrophobicContact CD2-CD2 4.43Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.83Å; L39-F139 HydrophobicContact CD2-CD2 4.31Å; L39-F139 HydrophobicContact CD2-CE2 3.71Å; L39-F139 HydrophobicContact CD2-CZ 4.38Å
40	G	95.9	Very high	93.2	Very high	37 Å²	37	56.4 Å²	56.4	38%	0.381	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-45.2	174.4	0	0	0	0	0	112.5	R36 K37 V38 L42 A43 V44	R36-G40 WeakPolarHBondContact O-CA 3.46Å; R36-G40 PolarHBondContact O-N 3.03Å; K37-G40 PolarHBondContact O-N 2.75Å; V38-G40 VanDerWaalsContact C-N 3.31Å; V38-G40 PolarHBondContact O-N 3.35Å; G40-L42 VanDerWaalsContact C-N 3.35Å; G40-A43 PolarHBondContact O-N 3.16Å; G40-V44 WeakPolarHBondContact O-CG2 3.37Å; G40-V44 PolarHBondContact O-N 3.42Å; G40-V44 VanDerWaalsContact O-N 3.14Å
41	L	95.3	Very high	93.9	Very high	35 Å²	35	56.1 Å²	56.1	18%	0.183	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-43	174.7	-70.4	174	0	0	0	111.5	K37 V38 A43 V44 Q45 F98 M101 Y210 T214	K37-L41 HydrophobicContact CG-CD1 4.43Å; K37-L41 VanDerWaalsContact O-CG 3.32Å; K37-L41 WeakPolarHBondContact O-CG 3.26Å; K37-L41 PolarHBondContact O-N 2.86Å; V38-L41 PolarHBondContact O-N 3.25Å; L41-A43 PolarHBondContact O-N 3.39Å; L41-V44 PolarHBondContact O-N 3.36Å; L41-Q45 WeakPolarHBondContact O-CG 3.38Å; L41-Q45 PolarHBondContact O-N 2.93Å; L41-F98 HydrophobicContact CD1-CE1 3.99Å; L41-F98 HydrophobicContact CD2-CE1 4.04Å; L41-M101 HydrophobicContact CD1-CE 4.24Å; L41-M101 HydrophobicContact CD2-CE 4.01Å; L41-Y210 HydrophobicContact CD1-CD2 4.05Å; L41-T214 HydrophobicContact CB-CG2 3.71Å
42	L	96.9	Very high	94.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-46.3	177	-179.2	63.7	0	0	0	111.6	V38 L39 G40 V44 Q45 L46 F139 T214 L217 Y218 I221	V38-L42 WeakPolarHBondContact O-CB 3.4Å; V38-L42 PolarHBondContact O-N 3.43Å; L39-L42 HydrophobicContact CD2-CD2 4.43Å; G40-L42 VanDerWaalsContact C-N 3.35Å; L42-V44 VanDerWaalsContact C-N 3.3Å; L42-V44 PolarHBondContact O-N 3.48Å; L42-Q45 PolarHBondContact O-N 3.35Å; L42-L46 HydrophobicContact CD1-CD1 4.21Å; L42-L46 HydrophobicContact CD1-CG 4.23Å; L42-L46 HydrophobicContact CG-CD1 4.02Å; L42-L46 HydrophobicContact CG-CG 4.42Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 2.79Å; L42-F139 HydrophobicContact CD2-CE2 4Å; L42-F139 HydrophobicContact CD2-CZ 3.65Å; L42-T214 HydrophobicContact CB-CG2 4.16Å; L42-L217 HydrophobicContact CD1-CB 4.3Å; L42-L217 HydrophobicContact CD2-CB 4.01Å; L42-L217 HydrophobicContact CD2-CD1 4.4Å; L42-Y218 HydrophobicContact CD1-CD2 4.41Å; L42-I221 HydrophobicContact CD1-CD1 4.23Å; L42-I221 HydrophobicContact CD2-CD1 3.88Å; L42-I221 HydrophobicContact CG-CD1 4.39Å
43	A	97	Very high	94.7	Very high	51 Å²	51	47.7 Å²	47.7	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-39.9	177.4	0	0	0	0	0	112.2	L39 G40 L41 T47	L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.83Å; G40-A43 PolarHBondContact O-N 3.16Å; L41-A43 PolarHBondContact O-N 3.39Å; A43-T47 WeakPolarHBondContact O-CB 3.38Å; A43-T47 PolarHBondContact O-N 2.91Å; A43-T47 PolarHBondContact O-OG1 3.42Å
44	V	97.3	Very high	94.9	Very high	99 Å²	99	47.7 Å²	47.7	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-63.4	-46.1	174.4	171.2	0	0	0	0	111	G40 L41 L42 T47 F48	G40-V44 WeakPolarHBondContact O-CG2 3.37Å; G40-V44 PolarHBondContact O-N 3.42Å; G40-V44 VanDerWaalsContact O-N 3.14Å; L41-V44 PolarHBondContact O-N 3.36Å; L42-V44 VanDerWaalsContact C-N 3.3Å; L42-V44 PolarHBondContact O-N 3.48Å; V44-T47 PolarHBondContact O-N 3.35Å; V44-F48 VanDerWaalsContact O-CB 3.24Å; V44-F48 WeakPolarHBondContact O-CB 3.43Å; V44-F48 PolarHBondContact O-N 3.43Å
45	Q	97.4	Very high	94.9	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-47	178.6	-69.4	177.4	-48.8	0	0	111.7	L41 L42 T47 F48 T49 T105 Y218	L41-Q45 WeakPolarHBondContact O-CG 3.38Å; L41-Q45 PolarHBondContact O-N 2.93Å; L42-Q45 PolarHBondContact O-N 3.35Å; Q45-T47 PolarHBondContact O-N 3.21Å; Q45-F48 PolarHBondContact O-N 2.98Å; Q45-T49 WeakPolarHBondContact O-CB 3.4Å; Q45-T49 PolarHBondContact O-N 3.49Å; Q45-T49 PolarHBondContact O-OG1 2.88Å; Q45-T105 HydrophobicContact CB-CG2 3.92Å; Q45-T105 HydrophobicContact CG-CG2 3.9Å; Q45-T105 PolarHBondContact NE2-OG1 3.4Å; Q45-Y218 HydrophobicContact CB-CD2 3.52Å; Q45-Y218 HydrophobicContact CB-CE2 3.71Å; Q45-Y218 HydrophobicContact CB-CG 4.45Å; Q45-Y218 HydrophobicContact CG-CD2 4.42Å
46	L	97.3	Very high	94.8	Very high	50 Å²	50	48.5 Å²	48.5	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-41.3	179.6	-67.1	174.5	0	0	0	112.1	L42 T49 A50 Y218 I221	L42-L46 HydrophobicContact CD1-CD1 4.21Å; L42-L46 HydrophobicContact CD1-CG 4.23Å; L42-L46 HydrophobicContact CG-CD1 4.02Å; L42-L46 HydrophobicContact CG-CG 4.42Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 2.79Å; L46-T49 PolarHBondContact O-N 2.84Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.19Å; L46-Y218 HydrophobicContact CD2-CD2 4Å; L46-Y218 HydrophobicContact CD2-CE2 4.22Å; L46-Y218 HydrophobicContact CG-CD2 4.49Å; L46-I221 HydrophobicContact CD1-CD1 3.94Å; L46-I221 HydrophobicContact CD1-CG2 4.16Å; L46-I221 HydrophobicContact CD2-CB 4.22Å; L46-I221 HydrophobicContact CD2-CG2 3.59Å
47	T	96.9	Very high	94.3	Very high	92 Å²	92	42.2 Å²	42.2	56%	0.564	25%	0.252	S	S	*	.	H	α-helix	trans	-65.1	-42.4	176.7	-55.6	0	0	0	0	111.1	A43 V44 Q45 A50 T51	A43-T47 WeakPolarHBondContact O-CB 3.38Å; A43-T47 PolarHBondContact O-N 2.91Å; A43-T47 PolarHBondContact O-OG1 3.42Å; V44-T47 PolarHBondContact O-N 3.35Å; Q45-T47 PolarHBondContact O-N 3.21Å; T47-A50 PolarHBondContact O-N 2.91Å; T47-T51 PolarHBondContact O-N 2.91Å; T47-T51 PolarHBondContact O-OG1 3.5Å
48	F	97.3	Very high	93.9	Very high	63 Å²	63	45.5 Å²	45.5	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-48	176.1	-177.6	-100.7	0	0	0	111.1	V44 Q45 T51 I52 F102 T105 L106 A109	V44-F48 VanDerWaalsContact O-CB 3.24Å; V44-F48 WeakPolarHBondContact O-CB 3.43Å; V44-F48 PolarHBondContact O-N 3.43Å; Q45-F48 PolarHBondContact O-N 2.98Å; F48-T51 WeakPolarHBondContact O-CB 3.24Å; F48-T51 PolarHBondContact O-N 2.87Å; F48-T51 VanDerWaalsContact O-N 3.14Å; F48-I52 HydrophobicContact CD1-CG1 4.3Å; F48-I52 HydrophobicContact CE1-CD1 4.45Å; F48-I52 HydrophobicContact CE1-CG1 3.9Å; F48-I52 HydrophobicContact CE2-CD1 4.42Å; F48-I52 HydrophobicContact CE2-CG1 4.46Å; F48-I52 HydrophobicContact CZ-CD1 4.05Å; F48-I52 HydrophobicContact CZ-CG1 3.98Å; F48-I52 WeakPolarHBondContact O-CG1 3.44Å; F48-I52 PolarHBondContact O-N 3.29Å; F48-F102 HydrophobicContact CZ-CE2 4.38Å; F48-T105 HydrophobicContact CD1-CG2 4.03Å; F48-L106 HydrophobicContact CE1-CB 4.37Å; F48-L106 HydrophobicContact CE1-CD1 3.89Å; F48-L106 HydrophobicContact CZ-CD1 3.82Å; F48-A109 HydrophobicContact CD1-CB 4.38Å; F48-A109 HydrophobicContact CE1-CB 4.34Å
49	T	97.4	Very high	93.6	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-48	177.2	-61.2	0	0	0	0	111.9	Q45 L46 T51 I52 D53 A109 Y218	Q45-T49 WeakPolarHBondContact O-CB 3.4Å; Q45-T49 PolarHBondContact O-N 3.49Å; Q45-T49 PolarHBondContact O-OG1 2.88Å; L46-T49 PolarHBondContact O-N 2.84Å; T49-T51 PolarHBondContact O-N 3.36Å; T49-I52 PolarHBondContact O-N 3.39Å; T49-I52 VanDerWaalsContact O-N 3.12Å; T49-D53 WeakPolarHBondContact O-CB 3.41Å; T49-D53 VanDerWaalsContact O-CG 3.23Å; T49-D53 PolarHBondContact O-N 2.96Å; T49-A109 HydrophobicContact CG2-CB 4.11Å; T49-Y218 PolarHBondContact OG1-OH 3.27Å
50	A	96	Very high	92.8	Very high	27 Å²	27	54.2 Å²	54.2	22%	0.223	31%	0.309	C	S	.	.	H	α-helix	trans	-58.5	-34.8	176	0	0	0	0	0	112.7	L46 T47 A54 F128	L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.19Å; T47-A50 PolarHBondContact O-N 2.91Å; A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.42Å; A50-A54 PolarHBondContact O-N 2.88Å; A50-F128 HydrophobicContact CB-CE2 3.86Å; A50-F128 HydrophobicContact CB-CZ 4.39Å
51	T	95.3	Very high	92.3	Very high	79 Å²	79	54.8 Å²	54.8	49%	0.485	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-45.8	176.1	-55.5	0	0	0	0	111.4	T47 F48 T49 A54 C55	T47-T51 PolarHBondContact O-N 2.91Å; T47-T51 PolarHBondContact O-OG1 3.5Å; F48-T51 WeakPolarHBondContact O-CB 3.24Å; F48-T51 PolarHBondContact O-N 2.87Å; F48-T51 VanDerWaalsContact O-N 3.14Å; T49-T51 PolarHBondContact O-N 3.36Å; T51-A54 PolarHBondContact O-N 2.91Å; T51-C55 PolarHBondContact O-N 2.98Å; T51-C55 PolarHBondContact O-SG 3.43Å
52	I	94.6	Very high	91.6	Very high	35 Å²	35	56.1 Å²	56.1	18%	0.179	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-44.4	177.1	-63.2	-61.2	0	0	0	110.7	F48 T49 A54 C55 F56 A109	F48-I52 HydrophobicContact CD1-CG1 4.3Å; F48-I52 HydrophobicContact CE1-CD1 4.45Å; F48-I52 HydrophobicContact CE1-CG1 3.9Å; F48-I52 HydrophobicContact CE2-CD1 4.42Å; F48-I52 HydrophobicContact CE2-CG1 4.46Å; F48-I52 HydrophobicContact CZ-CD1 4.05Å; F48-I52 HydrophobicContact CZ-CG1 3.98Å; F48-I52 WeakPolarHBondContact O-CG1 3.44Å; F48-I52 PolarHBondContact O-N 3.29Å; T49-I52 PolarHBondContact O-N 3.39Å; T49-I52 VanDerWaalsContact O-N 3.12Å; I52-A54 VanDerWaalsContact C-N 3.31Å; I52-A54 PolarHBondContact O-N 3.48Å; I52-C55 WeakPolarHBondContact O-CA 3.36Å; I52-C55 WeakPolarHBondContact O-CB 3.24Å; I52-C55 PolarHBondContact O-N 3.2Å; I52-C55 VanDerWaalsContact O-N 3.07Å; I52-F56 HydrophobicContact CG2-CD2 3.96Å; I52-F56 HydrophobicContact CG2-CE2 3.98Å; I52-F56 WeakPolarHBondContact O-CD2 3.44Å; I52-F56 PolarHBondContact O-N 3.49Å; I52-A109 HydrophobicContact CB-CB 3.98Å; I52-A109 HydrophobicContact CG1-CB 4.06Å; I52-A109 HydrophobicContact CG2-CB 4.08Å
53	D	93.2	Very high	90.8	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.08	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-43.9	176.9	-66.8	-14.4	0	0	0	110.9	T49 C55 F56 F57 T112 G113	T49-D53 WeakPolarHBondContact O-CB 3.41Å; T49-D53 VanDerWaalsContact O-CG 3.23Å; T49-D53 PolarHBondContact O-N 2.96Å; D53-C55 VanDerWaalsContact C-N 3.34Å; D53-C55 PolarHBondContact O-N 3.15Å; D53-F56 PolarHBondContact O-N 3.03Å; D53-F57 VanDerWaalsContact O-CB 3.3Å; D53-F57 WeakPolarHBondContact O-CB 3.33Å; D53-F57 PolarHBondContact O-N 2.94Å; D53-T112 WeakPolarHBondContact OD2-CG2 3.27Å; D53-G113 WeakPolarHBondContact OD1-CA 3.28Å; D53-G113 PolarHBondContact OD1-N 2.94Å
54	A	91.4	Very high	90.1	Very high	36 Å²	36	56.7 Å²	56.7	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-38.9	173.9	0	0	0	0	0	112.2	A50 T51 I52 F57 Y58	A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.42Å; A50-A54 PolarHBondContact O-N 2.88Å; T51-A54 PolarHBondContact O-N 2.91Å; I52-A54 VanDerWaalsContact C-N 3.31Å; I52-A54 PolarHBondContact O-N 3.48Å; A54-F57 PolarHBondContact O-N 3.34Å; A54-Y58 HydrophobicContact CB-CD2 4.24Å; A54-Y58 HydrophobicContact CB-CE2 4.33Å; A54-Y58 WeakPolarHBondContact O-CB 3.45Å; A54-Y58 WeakPolarHBondContact O-CD2 3.45Å; A54-Y58 PolarHBondContact O-N 3.48Å
55	C	90.6	Very high	89.5	Confident	47 Å²	47	56 Å²	56	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-49.7	173.3	-68.8	0	0	0	0	111.6	T51 I52 D53 F57 Y58 F59	T51-C55 PolarHBondContact O-N 2.98Å; T51-C55 PolarHBondContact O-SG 3.43Å; I52-C55 WeakPolarHBondContact O-CA 3.36Å; I52-C55 WeakPolarHBondContact O-CB 3.24Å; I52-C55 PolarHBondContact O-N 3.2Å; I52-C55 VanDerWaalsContact O-N 3.07Å; D53-C55 VanDerWaalsContact C-N 3.34Å; D53-C55 PolarHBondContact O-N 3.15Å; C55-F57 PolarHBondContact O-N 2.87Å; C55-Y58 PolarHBondContact O-N 3.08Å; C55-F59 HydrophobicContact CB-CD2 4.17Å; C55-F59 HydrophobicContact CB-CE2 4.37Å; C55-F59 WeakPolarHBondContact O-CB 3.4Å; C55-F59 WeakPolarHBondContact O-CD2 3.4Å; C55-F59 PolarHBondContact O-N 3Å
56	F	86.9	Confident	88.9	Confident	19 Å²	19	56 Å²	56	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-36.1	177.1	-90.1	-103.5	0	0	0	112.3	I52 D53 L62 S63 V66 Y110	I52-F56 HydrophobicContact CG2-CD2 3.96Å; I52-F56 HydrophobicContact CG2-CE2 3.98Å; I52-F56 WeakPolarHBondContact O-CD2 3.44Å; I52-F56 PolarHBondContact O-N 3.49Å; D53-F56 PolarHBondContact O-N 3.03Å; F56-L62 HydrophobicContact CD1-CB 4.24Å; F56-L62 HydrophobicContact CD2-CD1 4.42Å; F56-L62 HydrophobicContact CE1-CB 4.49Å; F56-S63 PolarHBondContact O-OG 3.34Å; F56-V66 HydrophobicContact CD1-CG2 4.16Å; F56-V66 HydrophobicContact CE1-CG2 3.84Å; F56-Y110 HydrophobicContact CE1-CD2 4.48Å; F56-Y110 HydrophobicContact CE1-CE2 4.43Å; F56-Y110 HydrophobicContact CE2-CD2 4.31Å; F56-Y110 AromaticContact CZ-CD2 3.62Å; F56-Y110 HydrophobicContact CZ-CD2 3.62Å; F56-Y110 AromaticContact CZ-CE2 3.88Å; F56-Y110 HydrophobicContact CZ-CE2 3.88Å
57	F	81.8	Confident	88.1	Confident	54 Å²	54	59.8 Å²	59.8	24%	0.237	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-48.5	179.2	-173.3	-96.3	0	0	0	113.3	D53 A54 C55 A121	D53-F57 VanDerWaalsContact O-CB 3.3Å; D53-F57 WeakPolarHBondContact O-CB 3.33Å; D53-F57 PolarHBondContact O-N 2.94Å; A54-F57 PolarHBondContact O-N 3.34Å; C55-F57 PolarHBondContact O-N 2.87Å; F57-A121 HydrophobicContact CE1-CB 4.07Å; F57-A121 HydrophobicContact CE2-CB 3.91Å; F57-A121 VanDerWaalsContact CZ-CA 3.43Å; F57-A121 HydrophobicContact CZ-CB 3.21Å
58	Y	84	Confident	87.6	Confident	156 Å²	156	61.1 Å²	61.1	61%	0.612	34%	0.335	S	S	*	.	H	α-helix	trans	-81.5	-12.8	-176.7	-74.2	-64.6	0	0	0	114.8	A54 C55 P60	A54-Y58 HydrophobicContact CB-CD2 4.24Å; A54-Y58 HydrophobicContact CB-CE2 4.33Å; A54-Y58 WeakPolarHBondContact O-CB 3.45Å; A54-Y58 WeakPolarHBondContact O-CD2 3.45Å; A54-Y58 PolarHBondContact O-N 3.48Å; C55-Y58 PolarHBondContact O-N 3.08Å; Y58-P60 VanDerWaalsContact O-CD 3.29Å; Y58-P60 WeakPolarHBondContact O-CD 3.41Å
59	F	87.9	Confident	87	Confident	127 Å²	127	64.2 Å²	64.2	56%	0.557	34%	0.344	S	S	*	.			trans	-104.9	96	174.7	-69.7	-71.6	0	0	0	110.6	C55 G61 L62 S63	C55-F59 HydrophobicContact CB-CD2 4.17Å; C55-F59 HydrophobicContact CB-CE2 4.37Å; C55-F59 WeakPolarHBondContact O-CB 3.4Å; C55-F59 WeakPolarHBondContact O-CD2 3.4Å; C55-F59 PolarHBondContact O-N 3Å; F59-G61 PolarHBondContact O-N 3.28Å; F59-L62 HydrophobicContact CB-CB 4.48Å; F59-L62 HydrophobicContact CB-CD1 4.01Å; F59-L62 HydrophobicContact CB-CG 4.15Å; F59-L62 PolarHBondContact O-N 3.44Å; F59-S63 PolarHBondContact O-N 3.17Å
60	P	79.5	Confident	86.1	Confident	98 Å²	98	71.1 Å²	71.1	64%	0.636	38%	0.376	S	S	*	.	H	α-helix	trans	-58.6	-28.7	-175.8	-24.1	33.5	0	0	0	113.5	Y58 L62 S63 A64	Y58-P60 VanDerWaalsContact O-CD 3.29Å; Y58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-L62 VanDerWaalsContact C-N 3.35Å; P60-L62 PolarHBondContact O-N 3.07Å; P60-S63 PolarHBondContact O-N 3.47Å; P60-A64 WeakPolarHBondContact O-CB 3.26Å; P60-A64 PolarHBondContact O-N 2.82Å
61	G	84.8	Confident	85.5	Confident	49 Å²	49	76.5 Å²	76.5	51%	0.505	39%	0.391	S	S	.	.	H	α-helix	trans	-60.1	-40.8	175.3	0	0	0	0	0	113	F59 A64 L65	F59-G61 PolarHBondContact O-N 3.28Å; G61-A64 PolarHBondContact O-N 3.31Å; G61-L65 VanDerWaalsContact O-CG 3.3Å; G61-L65 WeakPolarHBondContact O-CG 3.41Å; G61-L65 PolarHBondContact O-N 2.96Å
62	L	80.9	Confident	85	Confident	63 Å²	63	74.1 Å²	74.1	33%	0.33	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-47	176.5	-67.9	177.2	0	0	0	110.8	F56 F59 P60 A64 L65 V66	F56-L62 HydrophobicContact CD1-CB 4.24Å; F56-L62 HydrophobicContact CD2-CD1 4.42Å; F56-L62 HydrophobicContact CE1-CB 4.49Å; F59-L62 HydrophobicContact CB-CB 4.48Å; F59-L62 HydrophobicContact CB-CD1 4.01Å; F59-L62 HydrophobicContact CB-CG 4.15Å; F59-L62 PolarHBondContact O-N 3.44Å; P60-L62 VanDerWaalsContact C-N 3.35Å; P60-L62 PolarHBondContact O-N 3.07Å; L62-A64 VanDerWaalsContact C-N 3.29Å; L62-A64 PolarHBondContact O-N 3.28Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3Å; L62-L65 VanDerWaalsContact O-N 3.17Å; L62-V66 WeakPolarHBondContact O-CG2 3.32Å; L62-V66 PolarHBondContact O-N 3.12Å
63	S	78.6	Confident	84.6	Confident	9 Å²	9	76.2 Å²	76.2	6%	0.063	38%	0.382	C	S	.	.	H	α-helix	trans	-56.9	-42	175.6	-75.1	0	0	0	0	112.3	F56 F59 P60 V66 R67 S117	F56-S63 PolarHBondContact O-OG 3.34Å; F59-S63 PolarHBondContact O-N 3.17Å; P60-S63 PolarHBondContact O-N 3.47Å; S63-V66 PolarHBondContact O-N 3.37Å; S63-R67 WeakPolarHBondContact O-CG 3.49Å; S63-R67 PolarHBondContact O-N 2.95Å; S63-R67 VanDerWaalsContact O-N 3.08Å; S63-S117 WeakPolarHBondContact OG-CB 3.34Å
64	A	83.5	Confident	84.2	Confident	57 Å²	57	80.1 Å²	80.1	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.3	0	0	0	0	0	112.2	P60 G61 L62 R67 N68	P60-A64 WeakPolarHBondContact O-CB 3.26Å; P60-A64 PolarHBondContact O-N 2.82Å; G61-A64 PolarHBondContact O-N 3.31Å; L62-A64 VanDerWaalsContact C-N 3.29Å; L62-A64 PolarHBondContact O-N 3.28Å; A64-R67 PolarHBondContact O-N 3.41Å; A64-N68 WeakPolarHBondContact O-CB 3.44Å; A64-N68 PolarHBondContact O-N 3.48Å
65	L	84.8	Confident	84	Confident	84 Å²	84	81.5 Å²	81.5	44%	0.44	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174.9	-73.5	171.5	0	0	0	111.5	G61 L62 R67 N68 W69 M72	G61-L65 VanDerWaalsContact O-CG 3.3Å; G61-L65 WeakPolarHBondContact O-CG 3.41Å; G61-L65 PolarHBondContact O-N 2.96Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3Å; L62-L65 VanDerWaalsContact O-N 3.17Å; L65-R67 PolarHBondContact O-N 2.78Å; L65-N68 PolarHBondContact O-N 3.01Å; L65-W69 WeakPolarHBondContact O-CB 3.41Å; L65-W69 PolarHBondContact O-N 3.49Å; L65-M72 HydrophobicContact CB-SD 4.12Å
66	V	84.5	Confident	83.9	Confident	8 Å²	8	79.4 Å²	79.4	5%	0.048	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-42.7	178.4	177	0	0	0	0	111.3	F56 L62 S63 N68 W69 M72 C114 M118	F56-V66 HydrophobicContact CD1-CG2 4.16Å; F56-V66 HydrophobicContact CE1-CG2 3.84Å; L62-V66 WeakPolarHBondContact O-CG2 3.32Å; L62-V66 PolarHBondContact O-N 3.12Å; S63-V66 PolarHBondContact O-N 3.37Å; V66-N68 VanDerWaalsContact C-N 3.35Å; V66-N68 PolarHBondContact O-N 2.85Å; V66-W69 CarbonylContact O-C 3.51Å; V66-M72 HydrophobicContact CG2-CE 4.14Å; V66-M72 HydrophobicContact CG2-SD 4.35Å; V66-C114 HydrophobicContact CG1-CB 3.8Å; V66-C114 HydrophobicContact CG2-CB 4.37Å; V66-M118 HydrophobicContact CB-CE 4.02Å; V66-M118 HydrophobicContact CG1-CE 3.57Å
67	R	80.2	Confident	83.9	Confident	129 Å²	129	80.9 Å²	80.9	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-40.8	176.9	-71.4	-178.1	-133.4	-83.6	-5.6	112.2	S63 A64 L65 S117 M118	S63-R67 WeakPolarHBondContact O-CG 3.49Å; S63-R67 PolarHBondContact O-N 2.95Å; S63-R67 VanDerWaalsContact O-N 3.08Å; A64-R67 PolarHBondContact O-N 3.41Å; L65-R67 PolarHBondContact O-N 2.78Å; R67-S117 PolarHBondContact NH1-O 3.43Å; R67-S117 PolarHBondContact NH2-O 3.22Å; R67-M118 HydrophobicContact CB-CE 4.38Å; R67-M118 HydrophobicContact CG-CE 3.37Å; R67-M118 HydrophobicContact CG-SD 3.79Å
68	N	86.7	Confident	84.4	Confident	120 Å²	120	82.2 Å²	82.2	64%	0.642	42%	0.417	S	S	*	.	H	α-helix	trans	-75.6	-39.2	-178.3	-170	46.1	0	0	0	112.3	A64 L65 V66	A64-N68 WeakPolarHBondContact O-CB 3.44Å; A64-N68 PolarHBondContact O-N 3.48Å; L65-N68 PolarHBondContact O-N 3.01Å; V66-N68 VanDerWaalsContact C-N 3.35Å; V66-N68 PolarHBondContact O-N 2.85Å
69	W	84.2	Confident	84.8	Confident	127 Å²	127	77.6 Å²	77.6	48%	0.481	41%	0.405	S	S	.	.			trans	-114.1	71.9	-173.8	-62.9	99.2	0	0	0	110.4	L65 V66 W71 M72	L65-W69 WeakPolarHBondContact O-CB 3.41Å; L65-W69 PolarHBondContact O-N 3.49Å; V66-W69 CarbonylContact O-C 3.51Å; W69-W71 AromaticContact CD2-NE1 3.59Å; W69-W71 AromaticContact CE3-CD1 3.68Å; W69-W71 AromaticContact CE3-NE1 2.96Å; W69-W71 AromaticContact CG-NE1 3.88Å; W69-W71 AromaticContact CZ3-NE1 3.74Å; W69-W71 PolarHBondContact O-N 3.14Å; W69-M72 HydrophobicContact CB-CG 3.96Å; W69-M72 HydrophobicContact CB-SD 4Å; W69-M72 WeakPolarHBondContact O-CB 3.38Å; W69-M72 VanDerWaalsContact O-CG 3.24Å; W69-M72 WeakPolarHBondContact O-CG 3.37Å; W69-M72 PolarHBondContact O-N 3.36Å
70	Q	78.5	Confident	84.9	Confident	154 Å²	154	71.8 Å²	71.8	72%	0.72	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.3	-177.2	-65.5	-178.9	-8.2	0	0	114.2	M72 F73	Q70-M72 PolarHBondContact O-N 2.79Å; Q70-F73 PolarHBondContact O-N 3.09Å
71	W	84.2	Confident	85.5	Confident	140 Å²	140	71.5 Å²	71.5	53%	0.53	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-21.5	174	68.3	-96.4	0	0	0	113.6	W69 F73 N74 V75	W69-W71 AromaticContact CD2-NE1 3.59Å; W69-W71 AromaticContact CE3-CD1 3.68Å; W69-W71 AromaticContact CE3-NE1 2.96Å; W69-W71 AromaticContact CG-NE1 3.88Å; W69-W71 AromaticContact CZ3-NE1 3.74Å; W69-W71 PolarHBondContact O-N 3.14Å; W71-F73 PolarHBondContact O-N 2.91Å; W71-N74 PolarHBondContact O-N 2.93Å; W71-N74 VanDerWaalsContact O-N 3.11Å; W71-V75 HydrophobicContact CE3-CB 4.34Å; W71-V75 HydrophobicContact CE3-CG2 3.51Å; W71-V75 HydrophobicContact CZ3-CB 4.42Å; W71-V75 HydrophobicContact CZ3-CG2 3.74Å; W71-V75 PolarHBondContact O-N 2.85Å
72	M	84.3	Confident	85.8	Confident	29 Å²	29	74 Å²	74	14%	0.143	37%	0.373	C	S	.	.	H	α-helix	trans	-54.2	-41.4	175.5	-77.6	-175.1	73.9	0	0	111.7	L65 V66 W69 Q70 G76 Y110	L65-M72 HydrophobicContact CB-SD 4.12Å; V66-M72 HydrophobicContact CG2-CE 4.14Å; V66-M72 HydrophobicContact CG2-SD 4.35Å; W69-M72 HydrophobicContact CB-CG 3.96Å; W69-M72 HydrophobicContact CB-SD 4Å; W69-M72 WeakPolarHBondContact O-CB 3.38Å; W69-M72 VanDerWaalsContact O-CG 3.24Å; W69-M72 WeakPolarHBondContact O-CG 3.37Å; W69-M72 PolarHBondContact O-N 3.36Å; Q70-M72 PolarHBondContact O-N 2.79Å; M72-G76 PolarHBondContact O-N 2.99Å; M72-Y110 WeakPolarHBondContact CA-OH 3.45Å; M72-Y110 VanDerWaalsContact CB-OH 3.24Å; M72-Y110 WeakPolarHBondContact CB-OH 3.34Å; M72-Y110 HydrophobicContact CE-CE2 4.25Å; M72-Y110 WeakPolarHBondContact CE-OH 3.47Å; M72-Y110 WeakPolarHBondContact O-CE1 3.31Å; M72-Y110 PolarHBondContact O-OH 3.41Å
73	F	85.7	Confident	86.3	Confident	80 Å²	80	72.4 Å²	72.4	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-48	175.8	174.2	-97.9	0	0	0	111.6	Q70 W71 V75 G76 V77 T111 C114 I115	Q70-F73 PolarHBondContact O-N 3.09Å; W71-F73 PolarHBondContact O-N 2.91Å; F73-V75 VanDerWaalsContact C-N 3.26Å; F73-V75 PolarHBondContact O-N 3.31Å; F73-G76 PolarHBondContact O-N 3.36Å; F73-G76 VanDerWaalsContact O-N 3.08Å; F73-V77 HydrophobicContact CD1-CG2 4.29Å; F73-V77 HydrophobicContact CE1-CG2 3.78Å; F73-V77 HydrophobicContact CE2-CG2 4.33Å; F73-V77 HydrophobicContact CZ-CG2 3.81Å; F73-V77 PolarHBondContact O-N 3.49Å; F73-V77 VanDerWaalsContact O-N 3.11Å; F73-T111 HydrophobicContact CD2-CG2 3.87Å; F73-T111 HydrophobicContact CE2-CG2 3.47Å; F73-T111 VanDerWaalsContact CE2-CG2 3.47Å; F73-T111 HydrophobicContact CZ-CG2 4.23Å; F73-C114 HydrophobicContact CD2-CB 4.39Å; F73-I115 HydrophobicContact CD2-CG1 4.21Å; F73-I115 HydrophobicContact CE2-CD1 3.93Å; F73-I115 HydrophobicContact CE2-CG1 3.7Å
74	N	85.4	Confident	86.8	Confident	96 Å²	96	75.1 Å²	75.1	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-35.4	-178.6	-66	-35	0	0	0	112.2	W71 V77 V78	W71-N74 PolarHBondContact O-N 2.93Å; W71-N74 VanDerWaalsContact O-N 3.11Å; N74-V77 PolarHBondContact O-N 3.25Å; N74-V78 WeakPolarHBondContact O-CG2 3.37Å; N74-V78 PolarHBondContact O-N 3.32Å
75	V	87.9	Confident	87.1	Confident	66 Å²	66	78 Å²	78	40%	0.4	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-42.5	175.1	167.1	0	0	0	0	111.6	W71 F73 V77 V78 V79	W71-V75 HydrophobicContact CE3-CB 4.34Å; W71-V75 HydrophobicContact CE3-CG2 3.51Å; W71-V75 HydrophobicContact CZ3-CB 4.42Å; W71-V75 HydrophobicContact CZ3-CG2 3.74Å; W71-V75 PolarHBondContact O-N 2.85Å; F73-V75 VanDerWaalsContact C-N 3.26Å; F73-V75 PolarHBondContact O-N 3.31Å; V75-V77 VanDerWaalsContact C-N 3.31Å; V75-V77 PolarHBondContact O-N 3.26Å; V75-V78 PolarHBondContact O-N 2.97Å; V75-V79 HydrophobicContact CG1-CG2 4.23Å; V75-V79 WeakPolarHBondContact O-CB 3.5Å; V75-V79 VanDerWaalsContact O-CG2 3.24Å; V75-V79 WeakPolarHBondContact O-CG2 3.21Å; V75-V79 PolarHBondContact O-N 2.72Å
76	G	87.3	Confident	87.3	Confident	2 Å²	2	75.3 Å²	75.3	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-59	-42	174.3	0	0	0	0	0	112.5	M72 F73 S80 S107 T111	M72-G76 PolarHBondContact O-N 2.99Å; F73-G76 PolarHBondContact O-N 3.36Å; F73-G76 VanDerWaalsContact O-N 3.08Å; G76-S80 WeakPolarHBondContact O-CB 3.41Å; G76-S80 PolarHBondContact O-N 2.91Å; G76-S80 PolarHBondContact O-OG 2.96Å; G76-S107 PolarHBondContact O-OG 3.14Å; G76-T111 WeakPolarHBondContact CA-OG1 3.21Å
77	V	88.3	Confident	87.3	Confident	51 Å²	51	75.3 Å²	75.3	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-47.9	176.9	177	0	0	0	0	111.6	F73 N74 V75 S80 I81 T111	F73-V77 HydrophobicContact CD1-CG2 4.29Å; F73-V77 HydrophobicContact CE1-CG2 3.78Å; F73-V77 HydrophobicContact CE2-CG2 4.33Å; F73-V77 HydrophobicContact CZ-CG2 3.81Å; F73-V77 PolarHBondContact O-N 3.49Å; F73-V77 VanDerWaalsContact O-N 3.11Å; N74-V77 PolarHBondContact O-N 3.25Å; V75-V77 VanDerWaalsContact C-N 3.31Å; V75-V77 PolarHBondContact O-N 3.26Å; V77-S80 WeakPolarHBondContact O-CB 3.34Å; V77-S80 PolarHBondContact O-N 3.14Å; V77-I81 HydrophobicContact CG1-CD1 4.15Å; V77-I81 WeakPolarHBondContact O-CG1 3.36Å; V77-I81 PolarHBondContact O-N 3.49Å; V77-T111 HydrophobicContact CG2-CG2 4.07Å
78	V	90.7	Very high	87.5	Confident	81 Å²	81	76 Å²	76	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-46	-179.6	170.6	0	0	0	0	111.3	N74 V75 S80 I81 I82	N74-V78 WeakPolarHBondContact O-CG2 3.37Å; N74-V78 PolarHBondContact O-N 3.32Å; V75-V78 PolarHBondContact O-N 2.97Å; V78-S80 VanDerWaalsContact C-N 3.26Å; V78-S80 PolarHBondContact O-N 3.33Å; V78-I81 PolarHBondContact O-N 2.91Å; V78-I82 HydrophobicContact CG1-CD1 3.89Å; V78-I82 WeakPolarHBondContact O-CG1 3.48Å; V78-I82 PolarHBondContact O-N 3.3Å
79	V	92.1	Very high	87.5	Confident	60 Å²	60	73.6 Å²	73.6	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-40.5	176.4	172	0	0	0	0	110.6	V75 I81 I82 L83	V75-V79 HydrophobicContact CG1-CG2 4.23Å; V75-V79 WeakPolarHBondContact O-CB 3.5Å; V75-V79 VanDerWaalsContact O-CG2 3.24Å; V75-V79 WeakPolarHBondContact O-CG2 3.21Å; V75-V79 PolarHBondContact O-N 2.72Å; V79-I81 PolarHBondContact O-N 2.76Å; V79-I82 PolarHBondContact O-N 3.25Å; V79-L83 HydrophobicContact CG1-CD1 3.68Å; V79-L83 HydrophobicContact CG1-CG 4.28Å; V79-L83 WeakPolarHBondContact O-CB 3.39Å; V79-L83 VanDerWaalsContact O-CG 3.28Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.1Å
80	S	91.3	Very high	87.5	Confident	4 Å²	4	72.5 Å²	72.5	3%	0.028	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-42.5	176.8	-59.4	0	0	0	0	112.5	G76 V77 V78 L83 L84 S107 Q108	G76-S80 WeakPolarHBondContact O-CB 3.41Å; G76-S80 PolarHBondContact O-N 2.91Å; G76-S80 PolarHBondContact O-OG 2.96Å; V77-S80 WeakPolarHBondContact O-CB 3.34Å; V77-S80 PolarHBondContact O-N 3.14Å; V78-S80 VanDerWaalsContact C-N 3.26Å; V78-S80 PolarHBondContact O-N 3.33Å; S80-L83 PolarHBondContact O-N 2.85Å; S80-L84 WeakPolarHBondContact O-CG 3.43Å; S80-L84 PolarHBondContact O-N 3.27Å; S80-S107 PolarHBondContact N-OG 3.23Å; S80-S107 PolarHBondContact OG-OG 3.38Å; S80-Q108 PolarHBondContact OG-NE2 3.49Å
81	I	91.2	Very high	87.6	Confident	92 Å²	92	68.6 Å²	68.6	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-45.5	177.8	-65.7	167.4	0	0	0	110.7	V77 V78 V79 L83 L84 I85	V77-I81 HydrophobicContact CG1-CD1 4.15Å; V77-I81 WeakPolarHBondContact O-CG1 3.36Å; V77-I81 PolarHBondContact O-N 3.49Å; V78-I81 PolarHBondContact O-N 2.91Å; V79-I81 PolarHBondContact O-N 2.76Å; I81-L83 VanDerWaalsContact C-N 3.3Å; I81-L83 PolarHBondContact O-N 3.34Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-I85 HydrophobicContact CG2-CD1 4.07Å; I81-I85 WeakPolarHBondContact O-CG1 3.5Å; I81-I85 PolarHBondContact O-N 2.72Å
82	I	91.8	Very high	87.3	Confident	102 Å²	102	69 Å²	69	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-45	177.4	-66.8	167	0	0	0	110.4	V78 V79 I85 A86	V78-I82 HydrophobicContact CG1-CD1 3.89Å; V78-I82 WeakPolarHBondContact O-CG1 3.48Å; V78-I82 PolarHBondContact O-N 3.3Å; V79-I82 PolarHBondContact O-N 3.25Å; I82-I85 PolarHBondContact O-N 3.46Å; I82-A86 WeakPolarHBondContact O-CB 3.36Å; I82-A86 PolarHBondContact O-N 3.31Å
83	L	90.4	Very high	87.1	Confident	29 Å²	29	73.7 Å²	73.7	15%	0.152	38%	0.375	C	S	.	.	H	α-helix	trans	-67.5	-34.6	179.3	-72.2	170.8	0	0	0	112.7	V79 S80 I81 A86 M87 L100 F103 W104	V79-L83 HydrophobicContact CG1-CD1 3.68Å; V79-L83 HydrophobicContact CG1-CG 4.28Å; V79-L83 WeakPolarHBondContact O-CB 3.39Å; V79-L83 VanDerWaalsContact O-CG 3.28Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.1Å; S80-L83 PolarHBondContact O-N 2.85Å; I81-L83 VanDerWaalsContact C-N 3.3Å; I81-L83 PolarHBondContact O-N 3.34Å; L83-A86 PolarHBondContact O-N 2.94Å; L83-M87 WeakPolarHBondContact O-CB 3.45Å; L83-M87 PolarHBondContact O-N 2.98Å; L83-L100 HydrophobicContact CD2-CD2 4.33Å; L83-F103 HydrophobicContact CD1-CB 4.11Å; L83-F103 WeakPolarHBondContact CD1-O 3.45Å; L83-F103 HydrophobicContact CD2-CB 4.19Å; L83-W104 HydrophobicContact CB-CB 4.07Å; L83-W104 HydrophobicContact CB-CG 4.4Å; L83-W104 HydrophobicContact CD1-CB 4.32Å
84	L	89.4	Confident	87	Confident	66 Å²	66	78 Å²	78	35%	0.346	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-45	172.7	-77.8	174.1	0	0	0	111.9	S80 I81 M87 H88 W104 I215	S80-L84 WeakPolarHBondContact O-CG 3.43Å; S80-L84 PolarHBondContact O-N 3.27Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-M87 PolarHBondContact O-N 3.36Å; L84-H88 PolarHBondContact O-N 2.85Å; L84-W104 HydrophobicContact CD2-CD2 4.47Å; L84-W104 HydrophobicContact CD2-CZ2 3.96Å; L84-W104 VanDerWaalsContact CD2-NE1 3.32Å; L84-W104 VanDerWaalsContact CG-NE1 3.29Å; L84-I215 HydrophobicContact CD2-CD1 4.29Å; L84-I215 HydrophobicContact CD2-CG2 4.38Å
85	I	89.8	Confident	87	Confident	117 Å²	117	76.4 Å²	76.4	60%	0.6	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-46.7	177	-65.1	166.8	0	0	0	110	I81 I82 M87 H88 A89	I81-I85 HydrophobicContact CG2-CD1 4.07Å; I81-I85 WeakPolarHBondContact O-CG1 3.5Å; I81-I85 PolarHBondContact O-N 2.72Å; I82-I85 PolarHBondContact O-N 3.46Å; I85-M87 VanDerWaalsContact C-N 3.29Å; I85-M87 PolarHBondContact O-N 3.34Å; I85-H88 WeakPolarHBondContact O-CB 3.4Å; I85-H88 PolarHBondContact O-N 2.91Å; I85-A89 PolarHBondContact O-N 3.44Å
86	A	89.1	Confident	86.9	Confident	29 Å²	29	78.2 Å²	78.2	24%	0.24	39%	0.389	C	S	.	.	H	α-helix	trans	-59.9	-41.3	175.2	0	0	0	0	0	111.2	I82 L83 H88 A89 Y90 L100	I82-A86 WeakPolarHBondContact O-CB 3.36Å; I82-A86 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 2.94Å; A86-H88 VanDerWaalsContact C-N 3.35Å; A86-H88 PolarHBondContact O-N 2.88Å; A86-A89 PolarHBondContact O-N 3.34Å; A86-Y90 VanDerWaalsContact O-CD2 3.31Å; A86-Y90 WeakPolarHBondContact O-CD2 3.38Å; A86-Y90 PolarHBondContact O-N 3.5Å; A86-Y90 VanDerWaalsContact O-N 3.09Å; A86-L100 HydrophobicContact CB-CD2 3.7Å
87	M	85.9	Confident	87	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.039	39%	0.389	C	S	.	.	H	α-helix	trans	-65.2	-39.3	179	-157.9	-137.1	-121.1	0	0	112.3	L83 L84 I85 A89 Y90 R91 L100 M101 I211 I215	L83-M87 WeakPolarHBondContact O-CB 3.45Å; L83-M87 PolarHBondContact O-N 2.98Å; L84-M87 PolarHBondContact O-N 3.36Å; I85-M87 VanDerWaalsContact C-N 3.29Å; I85-M87 PolarHBondContact O-N 3.34Å; M87-A89 PolarHBondContact O-N 3.42Å; M87-Y90 CarbonylContact O-C 3.56Å; M87-Y90 PolarHBondContact O-N 2.75Å; M87-Y90 VanDerWaalsContact O-N 3.15Å; M87-R91 WeakPolarHBondContact O-CA 3.32Å; M87-R91 VanDerWaalsContact O-CB 3.31Å; M87-R91 WeakPolarHBondContact O-CB 3.23Å; M87-R91 PolarHBondContact O-N 2.85Å; M87-L100 HydrophobicContact CG-CB 4.4Å; M87-M101 HydrophobicContact CE-CB 3.79Å; M87-M101 HydrophobicContact CE-CG 4.1Å; M87-I211 HydrophobicContact CE-CB 4.49Å; M87-I211 HydrophobicContact CE-CG2 2.98Å; M87-I211 HydrophobicContact SD-CG2 3.54Å; M87-I211 VanDerWaalsContact SD-CG2 3.54Å; M87-I215 HydrophobicContact CE-CD1 3.07Å; M87-I215 HydrophobicContact CE-CG1 3.74Å; M87-I215 HydrophobicContact SD-CD1 3.55Å; M87-I215 VanDerWaalsContact SD-CD1 3.55Å; M87-I215 HydrophobicContact SD-CG1 4.42Å
88	H	84.4	Confident	87	Confident	143 Å²	143	78.5 Å²	78.5	66%	0.662	39%	0.386	S	S	*	.	H	α-helix	trans	-55.7	-41.2	175.6	-171.5	75.8	0	0	0	111.7	L84 I85 A86	L84-H88 PolarHBondContact O-N 2.85Å; I85-H88 WeakPolarHBondContact O-CB 3.4Å; I85-H88 PolarHBondContact O-N 2.91Å; A86-H88 VanDerWaalsContact C-N 3.35Å; A86-H88 PolarHBondContact O-N 2.88Å
89	A	85.6	Confident	87.1	Confident	69 Å²	69	78.2 Å²	78.2	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-71.8	-33.4	178.1	0	0	0	0	0	114.1	I85 A86 M87	I85-A89 PolarHBondContact O-N 3.44Å; A86-A89 PolarHBondContact O-N 3.34Å; M87-A89 PolarHBondContact O-N 3.42Å
90	Y	85	Confident	87	Confident	105 Å²	105	76.7 Å²	76.7	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-110.8	9.2	-172.5	-69.1	-88.2	0	0	0	114.5	A86 M87 R92 K93 L100	A86-Y90 VanDerWaalsContact O-CD2 3.31Å; A86-Y90 WeakPolarHBondContact O-CD2 3.38Å; A86-Y90 PolarHBondContact O-N 3.5Å; A86-Y90 VanDerWaalsContact O-N 3.09Å; M87-Y90 CarbonylContact O-C 3.56Å; M87-Y90 PolarHBondContact O-N 2.75Å; M87-Y90 VanDerWaalsContact O-N 3.15Å; Y90-R92 VanDerWaalsContact C-N 3.27Å; Y90-R92 PolarHBondContact O-N 2.93Å; Y90-R92 VanDerWaalsContact O-N 3.1Å; Y90-K93 HydrophobicContact CD1-CD 3.95Å; Y90-K93 HydrophobicContact CE1-CD 4.42Å; Y90-K93 PolarHBondContact O-N 3.24Å; Y90-L100 VanDerWaalsContact CB-CD1 3.43Å; Y90-L100 HydrophobicContact CD2-CD1 4.33Å; Y90-L100 HydrophobicContact CG-CD1 4.1Å
91	R	79.1	Confident	87.1	Confident	71 Å²	71	77.1 Å²	77.1	27%	0.268	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.6	-172.7	73.8	-175.3	-165.5	165.3	6.5	115	M87 N97	M87-R91 WeakPolarHBondContact O-CA 3.32Å; M87-R91 VanDerWaalsContact O-CB 3.31Å; M87-R91 WeakPolarHBondContact O-CB 3.23Å; M87-R91 PolarHBondContact O-N 2.85Å; R91-N97 WeakPolarHBondContact O-CB 3.23Å; R91-N97 PolarHBondContact O-ND2 3.48Å
92	R	78.1	Confident	87.2	Confident	150 Å²	150	77.8 Å²	77.8	57%	0.566	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.7	-177.5	-64.3	-170.8	174.7	163.1	-0	114.1	Y90	Y90-R92 VanDerWaalsContact C-N 3.27Å; Y90-R92 PolarHBondContact O-N 2.93Å; Y90-R92 VanDerWaalsContact O-N 3.1Å
93	K	81.6	Confident	87.3	Confident	126 Å²	126	77.7 Å²	77.7	55%	0.548	37%	0.371	S	S	.	.	S	Bend	trans	-97	108.7	-174.9	-69.5	-178.8	179.4	177	0	111.1	Y90 H96 N97	Y90-K93 HydrophobicContact CD1-CD 3.95Å; Y90-K93 HydrophobicContact CE1-CD 4.42Å; Y90-K93 PolarHBondContact O-N 3.24Å; K93-H96 PolarHBondContact O-N 3.44Å; K93-H96 VanDerWaalsContact O-N 3.11Å; K93-N97 PolarHBondContact O-N 3.07Å
94	Y	82.1	Confident	87.5	Confident	171 Å²	171	76.3 Å²	76.3	67%	0.671	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	142.4	168.8	-176.5	-96.1	0	0	0	110.7	F98	Y94-F98 AromaticContact CD2-CD2 3.77Å; Y94-F98 HydrophobicContact CD2-CD2 3.77Å; Y94-F98 AromaticContact CD2-CE2 3.79Å; Y94-F98 HydrophobicContact CD2-CE2 3.79Å; Y94-F98 AromaticContact CE2-CD2 3.74Å; Y94-F98 HydrophobicContact CE2-CD2 3.74Å; Y94-F98 AromaticContact CE2-CE2 3.77Å; Y94-F98 HydrophobicContact CE2-CE2 3.77Å
95	P	85.5	Confident	87.8	Confident	62 Å²	62	73.5 Å²	73.5	40%	0.403	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	2.8	-6.8	36.4	-35.6	0	0	0	113.9	N97 F98 V99	P95-N97 PolarHBondContact O-N 2.68Å; P95-N97 VanDerWaalsContact O-N 3.15Å; P95-F98 PolarHBondContact O-N 3.15Å; P95-F98 VanDerWaalsContact O-N 3.08Å; P95-V99 PolarHBondContact O-N 2.85Å
96	H	87	Confident	88.1	Confident	105 Å²	105	71 Å²	71	49%	0.486	34%	0.337	S	S	.	.	H	α-helix	trans	-53.8	-38.2	-174.7	-64.5	78.2	0	0	0	112.5	K93 F98 V99 L100	K93-H96 PolarHBondContact O-N 3.44Å; K93-H96 VanDerWaalsContact O-N 3.11Å; H96-F98 PolarHBondContact O-N 2.91Å; H96-V99 PolarHBondContact O-N 2.83Å; H96-L100 WeakPolarHBondContact O-CB 3.43Å; H96-L100 WeakPolarHBondContact O-CD1 3.43Å; H96-L100 WeakPolarHBondContact O-CG 3.49Å; H96-L100 PolarHBondContact O-N 3.04Å
97	N	87.7	Confident	88.4	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-40.1	179.1	64.5	-6.6	0	0	0	113.6	R91 K93 P95 M101 I211	R91-N97 WeakPolarHBondContact O-CB 3.23Å; R91-N97 PolarHBondContact O-ND2 3.48Å; K93-N97 PolarHBondContact O-N 3.07Å; P95-N97 PolarHBondContact O-N 2.68Å; P95-N97 VanDerWaalsContact O-N 3.15Å; N97-M101 VanDerWaalsContact O-CB 3.29Å; N97-M101 WeakPolarHBondContact O-CB 3.27Å; N97-M101 PolarHBondContact O-N 3.2Å; N97-I211 HydrophobicContact CB-CD1 3.33Å; N97-I211 WeakPolarHBondContact ND2-CD1 3.42Å
98	F	89.2	Confident	88.9	Confident	55 Å²	55	70.9 Å²	70.9	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-71.1	-39.6	174.7	-76.7	-79.3	0	0	0	112.4	L41 Y94 P95 H96 M101 F102 Y210	L41-F98 HydrophobicContact CD1-CE1 3.99Å; L41-F98 HydrophobicContact CD2-CE1 4.04Å; Y94-F98 AromaticContact CD2-CD2 3.77Å; Y94-F98 HydrophobicContact CD2-CD2 3.77Å; Y94-F98 AromaticContact CD2-CE2 3.79Å; Y94-F98 HydrophobicContact CD2-CE2 3.79Å; Y94-F98 AromaticContact CE2-CD2 3.74Å; Y94-F98 HydrophobicContact CE2-CD2 3.74Å; Y94-F98 AromaticContact CE2-CE2 3.77Å; Y94-F98 HydrophobicContact CE2-CE2 3.77Å; P95-F98 PolarHBondContact O-N 3.15Å; P95-F98 VanDerWaalsContact O-N 3.08Å; H96-F98 PolarHBondContact O-N 2.91Å; F98-M101 HydrophobicContact CD1-CE 3.95Å; F98-M101 HydrophobicContact CE1-CE 4.42Å; F98-M101 PolarHBondContact O-N 3.08Å; F98-F102 WeakPolarHBondContact O-CB 3.3Å; F98-F102 PolarHBondContact O-N 3.36Å; F98-Y210 HydrophobicContact CE1-CE2 4.17Å; F98-Y210 HydrophobicContact CE2-CE2 4.11Å; F98-Y210 AromaticContact CZ-CE2 3.55Å; F98-Y210 HydrophobicContact CZ-CE2 3.55Å
99	V	91.9	Very high	89.5	Confident	75 Å²	75	64 Å²	64	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-46.1	178.2	177.5	0	0	0	0	110.5	P95 H96 M101 F102 F103	P95-V99 PolarHBondContact O-N 2.85Å; H96-V99 PolarHBondContact O-N 2.83Å; V99-M101 PolarHBondContact O-N 2.92Å; V99-F102 PolarHBondContact O-N 2.89Å; V99-F103 HydrophobicContact CG1-CD2 3.81Å; V99-F103 HydrophobicContact CG1-CE2 3.58Å; V99-F103 VanDerWaalsContact O-CD2 3.23Å; V99-F103 WeakPolarHBondContact O-CD2 3.23Å; V99-F103 PolarHBondContact O-N 3.32Å
100	L	91.8	Very high	89.9	Confident	28 Å²	28	63.5 Å²	63.5	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-44.3	174.8	-78.8	156	0	0	0	111.6	L83 A86 M87 Y90 H96 F102 F103 W104	L83-L100 HydrophobicContact CD2-CD2 4.33Å; A86-L100 HydrophobicContact CB-CD2 3.7Å; M87-L100 HydrophobicContact CG-CB 4.4Å; Y90-L100 VanDerWaalsContact CB-CD1 3.43Å; Y90-L100 HydrophobicContact CD2-CD1 4.33Å; Y90-L100 HydrophobicContact CG-CD1 4.1Å; H96-L100 WeakPolarHBondContact O-CB 3.43Å; H96-L100 WeakPolarHBondContact O-CD1 3.43Å; H96-L100 WeakPolarHBondContact O-CG 3.49Å; H96-L100 PolarHBondContact O-N 3.04Å; L100-F102 VanDerWaalsContact C-N 3.32Å; L100-F102 PolarHBondContact O-N 2.95Å; L100-F103 PolarHBondContact O-N 3.44Å; L100-W104 VanDerWaalsContact O-CB 3.24Å; L100-W104 WeakPolarHBondContact O-CB 3.5Å; L100-W104 PolarHBondContact O-N 3.44Å
101	M	92	Very high	90.3	Very high	13 Å²	13	59 Å²	59	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-42.7	176.1	-172.9	-179.3	76.1	0	0	111.5	L41 M87 N97 F98 V99 W104 T105 I211	L41-M101 HydrophobicContact CD1-CE 4.24Å; L41-M101 HydrophobicContact CD2-CE 4.01Å; M87-M101 HydrophobicContact CE-CB 3.79Å; M87-M101 HydrophobicContact CE-CG 4.1Å; N97-M101 VanDerWaalsContact O-CB 3.29Å; N97-M101 WeakPolarHBondContact O-CB 3.27Å; N97-M101 PolarHBondContact O-N 3.2Å; F98-M101 HydrophobicContact CD1-CE 3.95Å; F98-M101 HydrophobicContact CE1-CE 4.42Å; F98-M101 PolarHBondContact O-N 3.08Å; V99-M101 PolarHBondContact O-N 2.92Å; M101-W104 PolarHBondContact O-N 3.34Å; M101-T105 WeakPolarHBondContact O-CB 3.45Å; M101-T105 PolarHBondContact O-N 2.87Å; M101-T105 PolarHBondContact O-OG1 3.17Å; M101-I211 HydrophobicContact SD-CG2 4.35Å
102	F	93.6	Very high	91.1	Very high	105 Å²	105	55.7 Å²	55.7	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-51.4	176.9	170.5	-101.9	0	0	0	112.2	F48 F98 V99 L100 W104 T105 L106	F48-F102 HydrophobicContact CZ-CE2 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.3Å; F98-F102 PolarHBondContact O-N 3.36Å; V99-F102 PolarHBondContact O-N 2.89Å; L100-F102 VanDerWaalsContact C-N 3.32Å; L100-F102 PolarHBondContact O-N 2.95Å; F102-W104 VanDerWaalsContact C-N 3.26Å; F102-W104 PolarHBondContact O-N 2.9Å; F102-T105 PolarHBondContact O-N 3.43Å; F102-L106 WeakPolarHBondContact O-CB 3.29Å; F102-L106 PolarHBondContact O-N 2.79Å
103	F	94.6	Very high	91.8	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.443	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-34.7	178.5	-76.1	-64.6	0	0	0	112.3	L83 V99 L100 L106 S107	L83-F103 HydrophobicContact CD1-CB 4.11Å; L83-F103 WeakPolarHBondContact CD1-O 3.45Å; L83-F103 HydrophobicContact CD2-CB 4.19Å; V99-F103 HydrophobicContact CG1-CD2 3.81Å; V99-F103 HydrophobicContact CG1-CE2 3.58Å; V99-F103 VanDerWaalsContact O-CD2 3.23Å; V99-F103 WeakPolarHBondContact O-CD2 3.23Å; V99-F103 PolarHBondContact O-N 3.32Å; L100-F103 PolarHBondContact O-N 3.44Å; F103-L106 HydrophobicContact CD1-CD2 4.41Å; F103-L106 PolarHBondContact O-N 3.11Å; F103-S107 WeakPolarHBondContact O-CB 3.27Å; F103-S107 PolarHBondContact O-N 3.12Å
104	W	94.7	Very high	92.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-43.8	175.8	178.4	82	0	0	0	111.6	L83 L84 L100 M101 F102 L106 S107 Q108 I215 Y218 L219	L83-W104 HydrophobicContact CB-CB 4.07Å; L83-W104 HydrophobicContact CB-CG 4.4Å; L83-W104 HydrophobicContact CD1-CB 4.32Å; L84-W104 HydrophobicContact CD2-CD2 4.47Å; L84-W104 HydrophobicContact CD2-CZ2 3.96Å; L84-W104 VanDerWaalsContact CD2-NE1 3.32Å; L84-W104 VanDerWaalsContact CG-NE1 3.29Å; L100-W104 VanDerWaalsContact O-CB 3.24Å; L100-W104 WeakPolarHBondContact O-CB 3.5Å; L100-W104 PolarHBondContact O-N 3.44Å; M101-W104 PolarHBondContact O-N 3.34Å; F102-W104 VanDerWaalsContact C-N 3.26Å; F102-W104 PolarHBondContact O-N 2.9Å; W104-L106 VanDerWaalsContact C-N 3.31Å; W104-L106 PolarHBondContact O-N 2.87Å; W104-S107 WeakPolarHBondContact O-CB 3.4Å; W104-S107 PolarHBondContact O-N 3.02Å; W104-Q108 HydrophobicContact CD2-CG 4.14Å; W104-Q108 HydrophobicContact CE3-CG 4.47Å; W104-Q108 HydrophobicContact CH2-CG 4.27Å; W104-Q108 HydrophobicContact CZ2-CG 3.87Å; W104-Q108 WeakPolarHBondContact O-CG 3.27Å; W104-Q108 PolarHBondContact O-N 3.41Å; W104-I215 HydrophobicContact CD2-CD1 3.84Å; W104-I215 HydrophobicContact CE3-CD1 3.62Å; W104-I215 HydrophobicContact CE3-CG1 3.96Å; W104-I215 HydrophobicContact CH2-CB 4.1Å; W104-I215 HydrophobicContact CH2-CD1 3.99Å; W104-I215 HydrophobicContact CH2-CG1 3.95Å; W104-I215 HydrophobicContact CH2-CG2 3.65Å; W104-I215 HydrophobicContact CZ2-CD1 4.25Å; W104-I215 HydrophobicContact CZ2-CG2 3.97Å; W104-I215 HydrophobicContact CZ3-CB 4.21Å; W104-I215 HydrophobicContact CZ3-CD1 3.71Å; W104-I215 HydrophobicContact CZ3-CG1 3.6Å; W104-I215 HydrophobicContact CZ3-CG2 4.23Å; W104-Y218 AromaticContact CH2-CD1 3.5Å; W104-Y218 HydrophobicContact CH2-CD1 3.5Å; W104-Y218 VanDerWaalsContact CH2-CD1 3.5Å; W104-Y218 AromaticContact CH2-CE1 3.98Å; W104-Y218 HydrophobicContact CH2-CE1 3.98Å; W104-Y218 AromaticContact CZ3-CD1 3.5Å; W104-Y218 HydrophobicContact CZ3-CD1 3.5Å; W104-Y218 AromaticContact CZ3-CE1 3.89Å; W104-Y218 HydrophobicContact CZ3-CE1 3.89Å; W104-Y218 HydrophobicContact CZ3-CG 4.31Å; W104-L219 HydrophobicContact CH2-CD1 4.17Å; W104-L219 HydrophobicContact CH2-CD2 4.01Å; W104-L219 HydrophobicContact CH2-CG 3.72Å; W104-L219 HydrophobicContact CZ2-CD1 3.9Å; W104-L219 HydrophobicContact CZ2-CD2 3.75Å; W104-L219 HydrophobicContact CZ2-CG 3.76Å
105	T	96.2	Very high	92.8	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-41.3	172.3	-62.6	0	0	0	0	111.4	Q45 F48 M101 F102 S107 Q108 A109 Y218	Q45-T105 HydrophobicContact CB-CG2 3.92Å; Q45-T105 HydrophobicContact CG-CG2 3.9Å; Q45-T105 PolarHBondContact NE2-OG1 3.4Å; F48-T105 HydrophobicContact CD1-CG2 4.03Å; M101-T105 WeakPolarHBondContact O-CB 3.45Å; M101-T105 PolarHBondContact O-N 2.87Å; M101-T105 PolarHBondContact O-OG1 3.17Å; F102-T105 PolarHBondContact O-N 3.43Å; T105-S107 VanDerWaalsContact C-N 3.34Å; T105-S107 PolarHBondContact O-N 3.42Å; T105-Q108 PolarHBondContact O-N 2.89Å; T105-A109 VanDerWaalsContact O-CB 3.28Å; T105-A109 WeakPolarHBondContact O-CB 3.24Å; T105-A109 PolarHBondContact O-N 2.9Å; T105-Y218 HydrophobicContact CG2-CE2 4.38Å
106	L	95.5	Very high	93.2	Very high	65 Å²	65	33.2 Å²	33.2	34%	0.34	16%	0.16	S	C	.	.	H	α-helix	trans	-60.2	-44.3	175.1	179.1	66.2	0	0	0	111.9	F48 F102 F103 W104 Q108 A109 Y110	F48-L106 HydrophobicContact CE1-CB 4.37Å; F48-L106 HydrophobicContact CE1-CD1 3.89Å; F48-L106 HydrophobicContact CZ-CD1 3.82Å; F102-L106 WeakPolarHBondContact O-CB 3.29Å; F102-L106 PolarHBondContact O-N 2.79Å; F103-L106 HydrophobicContact CD1-CD2 4.41Å; F103-L106 PolarHBondContact O-N 3.11Å; W104-L106 VanDerWaalsContact C-N 3.31Å; W104-L106 PolarHBondContact O-N 2.87Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-A109 PolarHBondContact O-N 3.18Å; L106-Y110 WeakPolarHBondContact O-CB 3.23Å; L106-Y110 PolarHBondContact O-N 2.75Å
107	S	95.5	Very high	93.4	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.07	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-41.3	176.6	-173.6	0	0	0	0	112.1	G76 S80 F103 W104 T105 T111	G76-S107 PolarHBondContact O-OG 3.14Å; S80-S107 PolarHBondContact N-OG 3.23Å; S80-S107 PolarHBondContact OG-OG 3.38Å; F103-S107 WeakPolarHBondContact O-CB 3.27Å; F103-S107 PolarHBondContact O-N 3.12Å; W104-S107 WeakPolarHBondContact O-CB 3.4Å; W104-S107 PolarHBondContact O-N 3.02Å; T105-S107 VanDerWaalsContact C-N 3.34Å; T105-S107 PolarHBondContact O-N 3.42Å; S107-T111 WeakPolarHBondContact O-CB 3.24Å; S107-T111 PolarHBondContact O-N 2.94Å; S107-T111 PolarHBondContact O-OG1 3.26Å
108	Q	95.7	Very high	93.4	Very high	24 Å²	24	32 Å²	32	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-45.7	175.4	-72.2	-66	-57.4	0	0	111.8	S80 W104 T105 L106 Y110 T111 T112 Y218 L222	S80-Q108 PolarHBondContact OG-NE2 3.49Å; W104-Q108 HydrophobicContact CD2-CG 4.14Å; W104-Q108 HydrophobicContact CE3-CG 4.47Å; W104-Q108 HydrophobicContact CH2-CG 4.27Å; W104-Q108 HydrophobicContact CZ2-CG 3.87Å; W104-Q108 WeakPolarHBondContact O-CG 3.27Å; W104-Q108 PolarHBondContact O-N 3.41Å; T105-Q108 PolarHBondContact O-N 2.89Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-Y110 VanDerWaalsContact C-N 3.33Å; Q108-Y110 PolarHBondContact O-N 3Å; Q108-T111 PolarHBondContact O-N 2.93Å; Q108-T111 VanDerWaalsContact O-N 3.12Å; Q108-T112 PolarHBondContact O-N 3.47Å; Q108-T112 PolarHBondContact O-OG1 2.98Å; Q108-T112 VanDerWaalsContact O-OG1 3.11Å; Q108-Y218 HydrophobicContact CB-CE1 3.73Å; Q108-Y218 WeakPolarHBondContact CB-OH 3.49Å; Q108-Y218 HydrophobicContact CG-CE1 4.03Å; Q108-L222 HydrophobicContact CB-CD1 4.11Å
109	A	96.3	Very high	93.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-41.4	176.6	0	0	0	0	0	112.1	F48 T49 I52 T105 L106 G113	F48-A109 HydrophobicContact CD1-CB 4.38Å; F48-A109 HydrophobicContact CE1-CB 4.34Å; T49-A109 HydrophobicContact CG2-CB 4.11Å; I52-A109 HydrophobicContact CB-CB 3.98Å; I52-A109 HydrophobicContact CG1-CB 4.06Å; I52-A109 HydrophobicContact CG2-CB 4.08Å; T105-A109 VanDerWaalsContact O-CB 3.28Å; T105-A109 WeakPolarHBondContact O-CB 3.24Å; T105-A109 PolarHBondContact O-N 2.9Å; L106-A109 PolarHBondContact O-N 3.18Å; A109-G113 PolarHBondContact O-N 2.83Å
110	Y	94.1	Very high	93.4	Very high	57 Å²	57	32.9 Å²	32.9	22%	0.224	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-44.1	172.6	167.1	-93	0	0	0	112.2	F56 M72 L106 Q108 G113 C114	F56-Y110 HydrophobicContact CE1-CD2 4.48Å; F56-Y110 HydrophobicContact CE1-CE2 4.43Å; F56-Y110 HydrophobicContact CE2-CD2 4.31Å; F56-Y110 AromaticContact CZ-CD2 3.62Å; F56-Y110 HydrophobicContact CZ-CD2 3.62Å; F56-Y110 AromaticContact CZ-CE2 3.88Å; F56-Y110 HydrophobicContact CZ-CE2 3.88Å; M72-Y110 WeakPolarHBondContact CA-OH 3.45Å; M72-Y110 VanDerWaalsContact CB-OH 3.24Å; M72-Y110 WeakPolarHBondContact CB-OH 3.34Å; M72-Y110 HydrophobicContact CE-CE2 4.25Å; M72-Y110 WeakPolarHBondContact CE-OH 3.47Å; M72-Y110 WeakPolarHBondContact O-CE1 3.31Å; M72-Y110 PolarHBondContact O-OH 3.41Å; L106-Y110 WeakPolarHBondContact O-CB 3.23Å; L106-Y110 PolarHBondContact O-N 2.75Å; Q108-Y110 VanDerWaalsContact C-N 3.33Å; Q108-Y110 PolarHBondContact O-N 3Å; Y110-G113 PolarHBondContact O-N 3.36Å; Y110-C114 PolarHBondContact O-N 3.45Å; Y110-C114 PolarHBondContact O-SG 2.92Å
111	T	94.2	Very high	93.3	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-45.1	-179.9	-55.8	0	0	0	0	110.9	F73 G76 V77 S107 Q108 C114 I115	F73-T111 HydrophobicContact CD2-CG2 3.87Å; F73-T111 HydrophobicContact CE2-CG2 3.47Å; F73-T111 VanDerWaalsContact CE2-CG2 3.47Å; F73-T111 HydrophobicContact CZ-CG2 4.23Å; G76-T111 WeakPolarHBondContact CA-OG1 3.21Å; V77-T111 HydrophobicContact CG2-CG2 4.07Å; S107-T111 WeakPolarHBondContact O-CB 3.24Å; S107-T111 PolarHBondContact O-N 2.94Å; S107-T111 PolarHBondContact O-OG1 3.26Å; Q108-T111 PolarHBondContact O-N 2.93Å; Q108-T111 VanDerWaalsContact O-N 3.12Å; T111-C114 WeakPolarHBondContact O-CB 3.43Å; T111-C114 PolarHBondContact O-N 3.12Å; T111-I115 WeakPolarHBondContact O-CG1 3.46Å; T111-I115 PolarHBondContact O-N 2.8Å; T111-I115 VanDerWaalsContact O-N 3.09Å
112	T	94.8	Very high	93.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-41.5	174.8	-53.8	0	0	0	0	111.7	D53 Q108 C114 I115 V116 L222 F225	D53-T112 WeakPolarHBondContact OD2-CG2 3.27Å; Q108-T112 PolarHBondContact O-N 3.47Å; Q108-T112 PolarHBondContact O-OG1 2.98Å; Q108-T112 VanDerWaalsContact O-OG1 3.11Å; T112-C114 VanDerWaalsContact C-N 3.27Å; T112-C114 PolarHBondContact O-N 3.49Å; T112-I115 CarbonylContact O-C 3.56Å; T112-I115 WeakPolarHBondContact O-CA 3.24Å; T112-I115 WeakPolarHBondContact O-CB 3.18Å; T112-I115 PolarHBondContact O-N 3.33Å; T112-V116 HydrophobicContact CG2-CG2 4.09Å; T112-V116 WeakPolarHBondContact O-CG2 3.24Å; T112-V116 PolarHBondContact O-N 2.91Å; T112-L222 WeakPolarHBondContact OG1-CD1 3.48Å; T112-L222 WeakPolarHBondContact OG1-CD2 3.32Å; T112-F225 HydrophobicContact CG2-CD1 4.1Å; T112-F225 HydrophobicContact CG2-CE1 3.97Å
113	G	94.2	Very high	93.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-38.4	175.9	0	0	0	0	0	112.3	D53 A109 Y110 S117	D53-G113 WeakPolarHBondContact OD1-CA 3.28Å; D53-G113 PolarHBondContact OD1-N 2.94Å; A109-G113 PolarHBondContact O-N 2.83Å; Y110-G113 PolarHBondContact O-N 3.36Å; G113-S117 WeakPolarHBondContact O-CB 3.47Å; G113-S117 PolarHBondContact O-N 3.15Å; G113-S117 PolarHBondContact O-OG 3.22Å
114	C	92.3	Very high	93.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-45.8	171	-66.2	0	0	0	0	111.6	V66 F73 Y110 T111 T112 S117	V66-C114 HydrophobicContact CG1-CB 3.8Å; V66-C114 HydrophobicContact CG2-CB 4.37Å; F73-C114 HydrophobicContact CD2-CB 4.39Å; Y110-C114 PolarHBondContact O-N 3.45Å; Y110-C114 PolarHBondContact O-SG 2.92Å; T111-C114 WeakPolarHBondContact O-CB 3.43Å; T111-C114 PolarHBondContact O-N 3.12Å; T112-C114 VanDerWaalsContact C-N 3.27Å; T112-C114 PolarHBondContact O-N 3.49Å; C114-S117 PolarHBondContact O-OG 2.91Å
115	I	92.5	Very high	93.3	Very high	34 Å²	34	30.5 Å²	30.5	17%	0.174	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-55.8	176.9	-63.8	168.6	0	0	0	110	F73 T111 T112 S117 M118 Y119 V226 L229	F73-I115 HydrophobicContact CD2-CG1 4.21Å; F73-I115 HydrophobicContact CE2-CD1 3.93Å; F73-I115 HydrophobicContact CE2-CG1 3.7Å; T111-I115 WeakPolarHBondContact O-CG1 3.46Å; T111-I115 PolarHBondContact O-N 2.8Å; T111-I115 VanDerWaalsContact O-N 3.09Å; T112-I115 CarbonylContact O-C 3.56Å; T112-I115 WeakPolarHBondContact O-CA 3.24Å; T112-I115 WeakPolarHBondContact O-CB 3.18Å; T112-I115 PolarHBondContact O-N 3.33Å; I115-S117 PolarHBondContact O-N 3.04Å; I115-M118 VanDerWaalsContact O-CB 3.31Å; I115-M118 WeakPolarHBondContact O-CB 3.48Å; I115-M118 PolarHBondContact O-N 3.44Å; I115-Y119 HydrophobicContact CG2-CD2 4.37Å; I115-Y119 HydrophobicContact CG2-CE2 3.82Å; I115-Y119 VanDerWaalsContact O-CD2 3.26Å; I115-Y119 WeakPolarHBondContact O-CD2 3.4Å; I115-V226 HydrophobicContact CD1-CG1 4.39Å; I115-V226 HydrophobicContact CD1-CG2 4.05Å; I115-L229 HydrophobicContact CG2-CD2 4.07Å
116	V	93.1	Very high	93.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-36.8	-176.4	168.4	0	0	0	0	111.7	T112 M118 Y119 V124 F225 L229	T112-V116 HydrophobicContact CG2-CG2 4.09Å; T112-V116 WeakPolarHBondContact O-CG2 3.24Å; T112-V116 PolarHBondContact O-N 2.91Å; V116-M118 PolarHBondContact O-N 2.84Å; V116-M118 VanDerWaalsContact O-N 3.12Å; V116-Y119 PolarHBondContact O-N 3.25Å; V116-V124 HydrophobicContact CG1-CB 4.28Å; V116-V124 HydrophobicContact CG1-CG1 3.49Å; V116-V124 VanDerWaalsContact CG1-CG1 3.49Å; V116-V124 HydrophobicContact CG1-CG2 3.75Å; V116-F225 HydrophobicContact CG2-CE1 3.61Å; V116-F225 HydrophobicContact CG2-CZ 3.95Å; V116-L229 HydrophobicContact CG2-CD2 4.36Å
117	S	91	Very high	93.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-19.3	176.8	73	0	0	0	0	113.9	S63 R67 G113 C114 I115	S63-S117 WeakPolarHBondContact OG-CB 3.34Å; R67-S117 PolarHBondContact NH1-O 3.43Å; R67-S117 PolarHBondContact NH2-O 3.22Å; G113-S117 WeakPolarHBondContact O-CB 3.47Å; G113-S117 PolarHBondContact O-N 3.15Å; G113-S117 PolarHBondContact O-OG 3.22Å; C114-S117 PolarHBondContact O-OG 2.91Å; I115-S117 PolarHBondContact O-N 3.04Å
118	M	88.6	Confident	93.4	Very high	83 Å²	83	35.1 Å²	35.1	41%	0.409	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.3	175.7	-58.2	-60.1	103	0	0	113.7	V66 R67 I115 V116	V66-M118 HydrophobicContact CB-CE 4.02Å; V66-M118 HydrophobicContact CG1-CE 3.57Å; R67-M118 HydrophobicContact CB-CE 4.38Å; R67-M118 HydrophobicContact CG-CE 3.37Å; R67-M118 HydrophobicContact CG-SD 3.79Å; I115-M118 VanDerWaalsContact O-CB 3.31Å; I115-M118 WeakPolarHBondContact O-CB 3.48Å; I115-M118 PolarHBondContact O-N 3.44Å; V116-M118 PolarHBondContact O-N 2.84Å; V116-M118 VanDerWaalsContact O-N 3.12Å
119	Y	90.8	Very high	93.4	Very high	45 Å²	45	40.5 Å²	40.5	18%	0.176	20%	0.199	C	C	.	.	S	Bend	trans	-102.8	161.2	-175.8	-72	-103.2	0	0	0	112.2	I115 V116 V123 L229 R230 Q233	I115-Y119 HydrophobicContact CG2-CD2 4.37Å; I115-Y119 HydrophobicContact CG2-CE2 3.82Å; I115-Y119 VanDerWaalsContact O-CD2 3.26Å; I115-Y119 WeakPolarHBondContact O-CD2 3.4Å; V116-Y119 PolarHBondContact O-N 3.25Å; Y119-V123 HydrophobicContact CD1-CG1 4.22Å; Y119-L229 HydrophobicContact CD1-CD1 4.18Å; Y119-L229 HydrophobicContact CD1-CD2 4.01Å; Y119-L229 HydrophobicContact CD1-CG 3.63Å; Y119-L229 HydrophobicContact CD2-CD2 3.46Å; Y119-L229 VanDerWaalsContact CD2-CD2 3.46Å; Y119-L229 HydrophobicContact CD2-CG 4.04Å; Y119-L229 HydrophobicContact CE1-CB 4.47Å; Y119-L229 HydrophobicContact CE1-CD2 4.09Å; Y119-L229 HydrophobicContact CE1-CG 3.7Å; Y119-L229 HydrophobicContact CE2-CD2 3.57Å; Y119-L229 HydrophobicContact CE2-CG 4.15Å; Y119-L229 HydrophobicContact CG-CD1 4.23Å; Y119-L229 HydrophobicContact CG-CD2 3.69Å; Y119-L229 HydrophobicContact CG-CG 3.79Å; Y119-R230 WeakPolarHBondContact OH-CG 3.27Å; Y119-Q233 HydrophobicContact CD1-CB 3.64Å; Y119-Q233 HydrophobicContact CD1-CG 3.84Å; Y119-Q233 HydrophobicContact CE1-CB 3.47Å; Y119-Q233 VanDerWaalsContact CE1-CB 3.47Å; Y119-Q233 HydrophobicContact CE1-CG 3.77Å
120	E	90	Very high	93.5	Very high	103 Å²	103	44.3 Å²	44.3	48%	0.481	22%	0.219	S	C	.	.			trans	-75.4	147.4	177.1	-62.8	-179.1	177.3	0	0	112.2	P122 V123 V124	E120-P122 VanDerWaalsContact C-CD 3.42Å; E120-V123 HydrophobicContact CB-CG2 4.15Å; E120-V123 WeakPolarHBondContact O-CB 3.4Å; E120-V123 PolarHBondContact O-N 3.49Å; E120-V123 VanDerWaalsContact O-N 3.11Å; E120-V124 WeakPolarHBondContact O-CG2 3.29Å; E120-V124 PolarHBondContact O-N 3.49Å; E120-V124 VanDerWaalsContact O-N 3.09Å
121	A	89.1	Confident	93.7	Very high	36 Å²	36	42 Å²	42	30%	0.298	21%	0.21	S	C	.	.	H	α-helix	trans	-46.6	-52.9	-179.4	0	0	0	0	0	114.6	F57 V123 V124 M125	F57-A121 HydrophobicContact CE1-CB 4.07Å; F57-A121 HydrophobicContact CE2-CB 3.91Å; F57-A121 VanDerWaalsContact CZ-CA 3.43Å; F57-A121 HydrophobicContact CZ-CB 3.21Å; A121-V123 VanDerWaalsContact C-N 3.28Å; A121-V123 PolarHBondContact O-N 3.25Å; A121-V124 PolarHBondContact O-N 2.91Å; A121-M125 WeakPolarHBondContact O-CG 3.48Å; A121-M125 PolarHBondContact O-N 2.89Å; A121-M125 VanDerWaalsContact O-N 3.08Å
122	P	91.5	Very high	93.8	Very high	57 Å²	57	43.6 Å²	43.6	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-72.3	-29	-172.7	2.5	12.7	0	0	0	110.8	E120 E126 R236	E120-P122 VanDerWaalsContact C-CD 3.42Å; P122-E126 VanDerWaalsContact O-CB 3.28Å; P122-E126 WeakPolarHBondContact O-CB 3.44Å; P122-E126 WeakPolarHBondContact O-CG 3.38Å; P122-E126 PolarHBondContact O-N 2.96Å; P122-R236 VanDerWaalsContact C-NH1 3.27Å
123	V	95.1	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-50.3	174.3	179.4	0	0	0	0	109.8	Y119 E120 A121 M125 E126 T127 L229 M232 Q233 R236	Y119-V123 HydrophobicContact CD1-CG1 4.22Å; E120-V123 HydrophobicContact CB-CG2 4.15Å; E120-V123 WeakPolarHBondContact O-CB 3.4Å; E120-V123 PolarHBondContact O-N 3.49Å; E120-V123 VanDerWaalsContact O-N 3.11Å; A121-V123 VanDerWaalsContact C-N 3.28Å; A121-V123 PolarHBondContact O-N 3.25Å; V123-M125 PolarHBondContact O-N 3.48Å; V123-E126 PolarHBondContact O-N 3.49Å; V123-T127 VanDerWaalsContact O-CB 3.27Å; V123-T127 WeakPolarHBondContact O-CB 3.44Å; V123-T127 PolarHBondContact O-N 3.3Å; V123-T127 PolarHBondContact O-OG1 3.37Å; V123-L229 HydrophobicContact CG1-CD1 4.06Å; V123-M232 HydrophobicContact CG1-CB 3.78Å; V123-Q233 HydrophobicContact CG1-CB 4.16Å; V123-R236 HydrophobicContact CG2-CB 4.37Å; V123-R236 VanDerWaalsContact CG2-NH1 3.3Å
124	V	95.1	Very high	94.2	Very high	18 Å²	18	49.3 Å²	49.3	11%	0.109	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-46.7	-179.4	175.9	0	0	0	0	111.3	V116 E120 A121 F128 L229	V116-V124 HydrophobicContact CG1-CB 4.28Å; V116-V124 HydrophobicContact CG1-CG1 3.49Å; V116-V124 VanDerWaalsContact CG1-CG1 3.49Å; V116-V124 HydrophobicContact CG1-CG2 3.75Å; E120-V124 WeakPolarHBondContact O-CG2 3.29Å; E120-V124 PolarHBondContact O-N 3.49Å; E120-V124 VanDerWaalsContact O-N 3.09Å; A121-V124 PolarHBondContact O-N 2.91Å; V124-F128 WeakPolarHBondContact O-CB 3.33Å; V124-F128 PolarHBondContact O-N 3.3Å; V124-L229 HydrophobicContact CB-CD1 4.46Å; V124-L229 HydrophobicContact CG2-CD1 4.06Å
125	M	93.6	Very high	94.5	Very high	85 Å²	85	49.9 Å²	49.9	42%	0.419	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-49.3	-179.3	-69.6	-175	179.7	0	0	111.7	A121 V123 T127 F128 F129	A121-M125 WeakPolarHBondContact O-CG 3.48Å; A121-M125 PolarHBondContact O-N 2.89Å; A121-M125 VanDerWaalsContact O-N 3.08Å; V123-M125 PolarHBondContact O-N 3.48Å; M125-T127 VanDerWaalsContact C-N 3.34Å; M125-T127 PolarHBondContact O-N 3.12Å; M125-F128 PolarHBondContact O-N 3.31Å; M125-F129 WeakPolarHBondContact O-CD2 3.49Å; M125-F129 PolarHBondContact O-N 2.87Å; M125-F129 VanDerWaalsContact O-N 3.16Å
126	E	95.3	Very high	94.7	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-44.3	178.3	-70.5	159.9	-178.2	0	0	111.3	P122 V123 F128 F129 L130 M232 R236	P122-E126 VanDerWaalsContact O-CB 3.28Å; P122-E126 WeakPolarHBondContact O-CB 3.44Å; P122-E126 WeakPolarHBondContact O-CG 3.38Å; P122-E126 PolarHBondContact O-N 2.96Å; V123-E126 PolarHBondContact O-N 3.49Å; E126-F128 PolarHBondContact O-N 2.92Å; E126-F129 PolarHBondContact O-N 3.49Å; E126-L130 WeakPolarHBondContact O-CB 3.26Å; E126-L130 PolarHBondContact O-N 3.42Å; E126-M232 HydrophobicContact CB-CE 3.89Å; E126-R236 IonicContact OE1-CZ 3.68Å; E126-R236 IonicContact OE1-NH1 3.61Å; E126-R236 IonicContact OE1-NH2 2.81Å; E126-R236 PolarHBondContact OE1-NH2 2.85Å; E126-R236 IonicContact OE2-CZ 3.45Å; E126-R236 IonicContact OE2-NH1 2.84Å; E126-R236 PolarHBondContact OE2-NH1 3.41Å; E126-R236 IonicContact OE2-NH2 3.31Å; E126-R236 PolarHBondContact OE2-NH2 3.09Å
127	T	97.1	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-39.7	176.8	-64	0	0	0	0	112.3	V123 M125 L130 T131 F225 L228 L229 M232	V123-T127 VanDerWaalsContact O-CB 3.27Å; V123-T127 WeakPolarHBondContact O-CB 3.44Å; V123-T127 PolarHBondContact O-N 3.3Å; V123-T127 PolarHBondContact O-OG1 3.37Å; M125-T127 VanDerWaalsContact C-N 3.34Å; M125-T127 PolarHBondContact O-N 3.12Å; T127-L130 PolarHBondContact O-N 2.97Å; T127-T131 WeakPolarHBondContact O-CB 3.25Å; T127-T131 PolarHBondContact O-N 3.1Å; T127-T131 PolarHBondContact O-OG1 3.41Å; T127-F225 HydrophobicContact CG2-CD2 3.7Å; T127-F225 HydrophobicContact CG2-CE2 3.67Å; T127-L228 HydrophobicContact CG2-CB 3.74Å; T127-L229 HydrophobicContact CG2-CB 3.95Å; T127-L229 HydrophobicContact CG2-CD1 4.04Å; T127-M232 WeakPolarHBondContact OG1-CB 3.17Å; T127-M232 VanDerWaalsContact OG1-CG 3.28Å; T127-M232 WeakPolarHBondContact OG1-CG 3.35Å
128	F	96.2	Very high	95.1	Very high	102 Å²	102	56 Å²	56	45%	0.447	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-49.1	177.9	175.9	-94.8	0	0	0	111.1	A50 V124 M125 E126 T131 A132 F225	A50-F128 HydrophobicContact CB-CE2 3.86Å; A50-F128 HydrophobicContact CB-CZ 4.39Å; V124-F128 WeakPolarHBondContact O-CB 3.33Å; V124-F128 PolarHBondContact O-N 3.3Å; M125-F128 PolarHBondContact O-N 3.31Å; E126-F128 PolarHBondContact O-N 2.92Å; F128-T131 PolarHBondContact O-N 3.2Å; F128-A132 WeakPolarHBondContact O-CB 3.1Å; F128-A132 PolarHBondContact O-N 3.49Å; F128-F225 HydrophobicContact CB-CE2 4.17Å
129	F	96.6	Very high	95.5	Very high	137 Å²	137	53.6 Å²	53.6	60%	0.601	30%	0.302	S	S	*	.	H	α-helix	trans	-62.1	-44.7	176.4	-75.7	-69	0	0	0	112	M125 E126 T131 A132 C133	M125-F129 WeakPolarHBondContact O-CD2 3.49Å; M125-F129 PolarHBondContact O-N 2.87Å; M125-F129 VanDerWaalsContact O-N 3.16Å; E126-F129 PolarHBondContact O-N 3.49Å; F129-T131 VanDerWaalsContact C-N 3.31Å; F129-T131 PolarHBondContact O-N 3.2Å; F129-A132 PolarHBondContact O-N 2.89Å; F129-C133 PolarHBondContact O-N 3.35Å; F129-C133 PolarHBondContact O-SG 2.88Å
130	L	97.7	Very high	95.6	Very high	79 Å²	79	54.7 Å²	54.7	41%	0.414	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-44	177.8	-179.1	61.2	0	0	0	111.6	E126 T127 C133 A134 L228 M232	E126-L130 WeakPolarHBondContact O-CB 3.26Å; E126-L130 PolarHBondContact O-N 3.42Å; T127-L130 PolarHBondContact O-N 2.97Å; L130-C133 PolarHBondContact O-N 3.11Å; L130-A134 WeakPolarHBondContact O-CB 3.18Å; L130-A134 PolarHBondContact O-N 3.39Å; L130-L228 HydrophobicContact CD2-CD1 4.36Å; L130-L228 HydrophobicContact CD2-CD2 4Å; L130-L228 HydrophobicContact CG-CD1 4.22Å; L130-M232 HydrophobicContact CD2-SD 4.36Å
131	T	98.1	Very high	95.7	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-45.2	178.1	-53.4	0	0	0	0	110.9	T127 F128 F129 C133 A134 V135 L224 F225 L228	T127-T131 WeakPolarHBondContact O-CB 3.25Å; T127-T131 PolarHBondContact O-N 3.1Å; T127-T131 PolarHBondContact O-OG1 3.41Å; F128-T131 PolarHBondContact O-N 3.2Å; F129-T131 VanDerWaalsContact C-N 3.31Å; F129-T131 PolarHBondContact O-N 3.2Å; T131-C133 VanDerWaalsContact C-N 3.34Å; T131-C133 PolarHBondContact O-N 3.31Å; T131-A134 PolarHBondContact O-N 3.44Å; T131-V135 HydrophobicContact CG2-CG2 4.07Å; T131-V135 WeakPolarHBondContact O-CB 3.35Å; T131-V135 VanDerWaalsContact O-CG2 3.24Å; T131-V135 WeakPolarHBondContact O-CG2 3.23Å; T131-V135 PolarHBondContact O-N 3.03Å; T131-L224 HydrophobicContact CG2-CD2 4.42Å; T131-L224 HydrophobicContact CG2-CG 4.34Å; T131-F225 HydrophobicContact CG2-CB 3.99Å; T131-L228 WeakPolarHBondContact OG1-CD1 3.35Å
132	A	97.7	Very high	95.9	Very high	44 Å²	44	54.1 Å²	54.1	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-58.5	-46.2	177.4	0	0	0	0	0	111.5	F128 F129 V135 V136	F128-A132 WeakPolarHBondContact O-CB 3.1Å; F128-A132 PolarHBondContact O-N 3.49Å; F129-A132 PolarHBondContact O-N 2.89Å; A132-V135 PolarHBondContact O-N 3.05Å; A132-V136 WeakPolarHBondContact O-CB 3.38Å; A132-V136 VanDerWaalsContact O-CG2 3.27Å; A132-V136 WeakPolarHBondContact O-CG2 3.43Å; A132-V136 PolarHBondContact O-N 3Å
133	C	98.1	Very high	95.8	Very high	91 Å²	91	55 Å²	55	62%	0.615	30%	0.304	S	S	*	.	H	α-helix	trans	-61.4	-45	175.3	-71.6	0	0	0	0	112.2	F129 L130 T131 G137	F129-C133 PolarHBondContact O-N 3.35Å; F129-C133 PolarHBondContact O-SG 2.88Å; L130-C133 PolarHBondContact O-N 3.11Å; T131-C133 VanDerWaalsContact C-N 3.34Å; T131-C133 PolarHBondContact O-N 3.31Å; C133-G137 PolarHBondContact O-N 2.86Å
134	A	98.3	Very high	95.5	Very high	31 Å²	31	61.9 Å²	61.9	26%	0.256	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-49.3	178.4	0	0	0	0	0	111.4	L130 T131 V136 G137 L138 L224	L130-A134 WeakPolarHBondContact O-CB 3.18Å; L130-A134 PolarHBondContact O-N 3.39Å; T131-A134 PolarHBondContact O-N 3.44Å; A134-V136 PolarHBondContact O-N 2.84Å; A134-G137 PolarHBondContact O-N 2.77Å; A134-L138 WeakPolarHBondContact O-CB 3.4Å; A134-L138 VanDerWaalsContact O-CG 3.23Å; A134-L138 WeakPolarHBondContact O-CG 3.43Å; A134-L138 PolarHBondContact O-N 3.22Å; A134-L224 HydrophobicContact CB-CD2 4.35Å
135	V	98.2	Very high	95	Very high	14 Å²	14	62.8 Å²	62.8	9%	0.085	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-47.3	179.7	172.1	0	0	0	0	111.2	T131 A132 G137 L138 F139 I194 I221 L224	T131-V135 HydrophobicContact CG2-CG2 4.07Å; T131-V135 WeakPolarHBondContact O-CB 3.35Å; T131-V135 VanDerWaalsContact O-CG2 3.24Å; T131-V135 WeakPolarHBondContact O-CG2 3.23Å; T131-V135 PolarHBondContact O-N 3.03Å; A132-V135 PolarHBondContact O-N 3.05Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 3.28Å; V135-L138 PolarHBondContact O-N 3.47Å; V135-F139 HydrophobicContact CG1-CD1 4.01Å; V135-F139 HydrophobicContact CG1-CE1 3.79Å; V135-F139 HydrophobicContact CG1-CE2 4.38Å; V135-F139 HydrophobicContact CG1-CG 4.43Å; V135-F139 HydrophobicContact CG1-CZ 4.01Å; V135-F139 WeakPolarHBondContact O-CB 3.27Å; V135-F139 VanDerWaalsContact O-CD1 3.23Å; V135-F139 WeakPolarHBondContact O-CD1 3.45Å; V135-F139 WeakPolarHBondContact O-CG 3.12Å; V135-F139 PolarHBondContact O-N 3.25Å; V135-I194 HydrophobicContact CG2-CD1 4.18Å; V135-I221 HydrophobicContact CG1-CD1 3.73Å; V135-I221 HydrophobicContact CG1-CG1 4.11Å; V135-I221 HydrophobicContact CG2-CB 4.36Å; V135-I221 HydrophobicContact CG2-CD1 4.34Å; V135-I221 HydrophobicContact CG2-CG1 3.85Å; V135-I221 HydrophobicContact CG2-CG2 3.83Å; V135-L224 HydrophobicContact CG2-CD2 4.17Å
136	V	97.3	Very high	93.8	Very high	92 Å²	92	69.4 Å²	69.4	56%	0.558	36%	0.363	S	S	*	.	H	α-helix	trans	-60.9	-44.4	176.7	171.2	0	0	0	0	110.7	A132 A134 F139 V140	A132-V136 WeakPolarHBondContact O-CB 3.38Å; A132-V136 VanDerWaalsContact O-CG2 3.27Å; A132-V136 WeakPolarHBondContact O-CG2 3.43Å; A132-V136 PolarHBondContact O-N 3Å; A134-V136 PolarHBondContact O-N 2.84Å; V136-F139 PolarHBondContact O-N 2.92Å; V136-V140 HydrophobicContact CG1-CG2 4.32Å; V136-V140 WeakPolarHBondContact O-CB 3.42Å; V136-V140 VanDerWaalsContact O-CG2 3.27Å; V136-V140 WeakPolarHBondContact O-CG2 3.3Å; V136-V140 PolarHBondContact O-N 3Å
137	G	97.1	Very high	92.6	Very high	41 Å²	41	74.5 Å²	74.5	42%	0.423	38%	0.381	S	S	.	.	H	α-helix	trans	-59.5	-47.4	176.6	0	0	0	0	0	112.8	C133 A134 V135 F139 V140 F141	C133-G137 PolarHBondContact O-N 2.86Å; A134-G137 PolarHBondContact O-N 2.77Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 3.28Å; G137-F139 PolarHBondContact O-N 3.3Å; G137-V140 PolarHBondContact O-N 2.66Å; G137-F141 VanDerWaalsContact O-CB 3.29Å; G137-F141 WeakPolarHBondContact O-CB 3.41Å; G137-F141 PolarHBondContact O-N 3.11Å
138	L	96.2	Very high	91.3	Very high	34 Å²	34	78.2 Å²	78.2	18%	0.178	40%	0.404	C	S	.	.	H	α-helix	trans	-65	-38.3	177.8	-68.1	171.8	0	0	0	112.1	A134 V135 T142 I194 V195	A134-L138 WeakPolarHBondContact O-CB 3.4Å; A134-L138 VanDerWaalsContact O-CG 3.23Å; A134-L138 WeakPolarHBondContact O-CG 3.43Å; A134-L138 PolarHBondContact O-N 3.22Å; V135-L138 PolarHBondContact O-N 3.47Å; L138-T142 VanDerWaalsContact O-CB 3.27Å; L138-T142 WeakPolarHBondContact O-CB 3.46Å; L138-T142 PolarHBondContact O-N 2.94Å; L138-T142 PolarHBondContact O-OG1 3.04Å; L138-I194 HydrophobicContact CB-CG2 4.02Å; L138-I194 HydrophobicContact CD1-CB 4.27Å; L138-I194 HydrophobicContact CD1-CD1 4.02Å; L138-I194 HydrophobicContact CD1-CG2 4.19Å; L138-V195 HydrophobicContact CB-CG2 4.47Å; L138-V195 HydrophobicContact CD2-CG2 3.82Å
139	F	95.5	Very high	90.1	Very high	31 Å²	31	75.2 Å²	75.2	14%	0.136	39%	0.394	C	S	.	.	H	α-helix	trans	-65.5	-50.6	176.2	-83.5	28.5	0	0	0	110.7	L39 L42 V135 V136 G137 F141 T142 L143 I194 L198 I221	L39-F139 HydrophobicContact CD2-CD2 4.31Å; L39-F139 HydrophobicContact CD2-CE2 3.71Å; L39-F139 HydrophobicContact CD2-CZ 4.38Å; L42-F139 HydrophobicContact CD2-CE2 4Å; L42-F139 HydrophobicContact CD2-CZ 3.65Å; V135-F139 HydrophobicContact CG1-CD1 4.01Å; V135-F139 HydrophobicContact CG1-CE1 3.79Å; V135-F139 HydrophobicContact CG1-CE2 4.38Å; V135-F139 HydrophobicContact CG1-CG 4.43Å; V135-F139 HydrophobicContact CG1-CZ 4.01Å; V135-F139 WeakPolarHBondContact O-CB 3.27Å; V135-F139 VanDerWaalsContact O-CD1 3.23Å; V135-F139 WeakPolarHBondContact O-CD1 3.45Å; V135-F139 WeakPolarHBondContact O-CG 3.12Å; V135-F139 PolarHBondContact O-N 3.25Å; V136-F139 PolarHBondContact O-N 2.92Å; G137-F139 PolarHBondContact O-N 3.3Å; F139-F141 VanDerWaalsContact C-N 3.32Å; F139-F141 PolarHBondContact O-N 3.08Å; F139-T142 PolarHBondContact O-N 2.78Å; F139-L143 VanDerWaalsContact O-CB 3.27Å; F139-L143 WeakPolarHBondContact O-CB 3.42Å; F139-L143 WeakPolarHBondContact O-CG 3.48Å; F139-L143 PolarHBondContact O-N 3.34Å; F139-I194 HydrophobicContact CD1-CG2 3.86Å; F139-I194 HydrophobicContact CE1-CG2 3.62Å; F139-L198 HydrophobicContact CB-CD2 4.2Å; F139-L198 HydrophobicContact CD1-CD2 3.71Å; F139-L198 HydrophobicContact CE1-CD2 4.19Å; F139-L198 HydrophobicContact CG-CD2 3.9Å; F139-I221 HydrophobicContact CE1-CD1 4.21Å; F139-I221 HydrophobicContact CZ-CD1 3.9Å
140	V	94.6	Very high	89.1	Confident	68 Å²	68	74.4 Å²	74.4	41%	0.412	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-47.3	177.3	170.7	0	0	0	0	110.5	V136 G137 T142 Q144	V136-V140 HydrophobicContact CG1-CG2 4.32Å; V136-V140 WeakPolarHBondContact O-CB 3.42Å; V136-V140 VanDerWaalsContact O-CG2 3.27Å; V136-V140 WeakPolarHBondContact O-CG2 3.3Å; V136-V140 PolarHBondContact O-N 3Å; G137-V140 PolarHBondContact O-N 2.66Å; V140-T142 PolarHBondContact O-N 3.41Å; V140-Q144 HydrophobicContact CG1-CG 4.48Å; V140-Q144 VanDerWaalsContact O-CB 3.31Å; V140-Q144 WeakPolarHBondContact O-CB 3.41Å; V140-Q144 VanDerWaalsContact O-CG 3.23Å; V140-Q144 WeakPolarHBondContact O-CG 3.46Å; V140-Q144 PolarHBondContact O-N 3.33Å
141	F	92.4	Very high	88.2	Confident	127 Å²	127	73 Å²	73	56%	0.557	40%	0.399	S	S	*	.	H	α-helix	trans	-56.8	-48.5	177.1	169.5	-104.5	0	0	0	112	G137 F139 Q144 S145 V195	G137-F141 VanDerWaalsContact O-CB 3.29Å; G137-F141 WeakPolarHBondContact O-CB 3.41Å; G137-F141 PolarHBondContact O-N 3.11Å; F139-F141 VanDerWaalsContact C-N 3.32Å; F139-F141 PolarHBondContact O-N 3.08Å; F141-Q144 PolarHBondContact O-N 2.93Å; F141-S145 PolarHBondContact O-N 2.99Å; F141-V195 HydrophobicContact CD1-CG2 4.47Å; F141-V195 HydrophobicContact CE1-CG1 4.41Å
142	T	91.9	Very high	87.5	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.006	43%	0.433	C	S	.	.	H	α-helix	trans	-74.6	-41.4	-173.4	-55.6	0	0	0	0	111.4	L138 F139 V140 Q144 S145 L198 N199 M202	L138-T142 VanDerWaalsContact O-CB 3.27Å; L138-T142 WeakPolarHBondContact O-CB 3.46Å; L138-T142 PolarHBondContact O-N 2.94Å; L138-T142 PolarHBondContact O-OG1 3.04Å; F139-T142 PolarHBondContact O-N 2.78Å; V140-T142 PolarHBondContact O-N 3.41Å; T142-Q144 VanDerWaalsContact C-N 3.29Å; T142-Q144 PolarHBondContact O-N 3.28Å; T142-S145 WeakPolarHBondContact O-CB 3.45Å; T142-S145 PolarHBondContact O-N 3.3Å; T142-L198 HydrophobicContact CG2-CB 3.93Å; T142-L198 HydrophobicContact CG2-CD2 3.94Å; T142-L198 HydrophobicContact CG2-CG 3.77Å; T142-N199 HydrophobicContact CG2-CB 4.22Å; T142-M202 HydrophobicContact CG2-CE 3.72Å; T142-M202 WeakPolarHBondContact O-CE 3.47Å
143	L	89.8	Confident	87	Confident	74 Å²	74	81.6 Å²	81.6	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-29.4	176.3	-67.3	176.3	0	0	0	112.8	L35 F139 L198 M202	L35-L143 HydrophobicContact CD1-CD2 4.42Å; L35-L143 HydrophobicContact CD2-CD2 3.91Å; F139-L143 VanDerWaalsContact O-CB 3.27Å; F139-L143 WeakPolarHBondContact O-CB 3.42Å; F139-L143 WeakPolarHBondContact O-CG 3.48Å; F139-L143 PolarHBondContact O-N 3.34Å; L143-L198 HydrophobicContact CD2-CD1 4.14Å; L143-L198 HydrophobicContact CD2-CD2 4.41Å; L143-L198 HydrophobicContact CD2-CG 4.45Å; L143-L198 HydrophobicContact CG-CD2 4.28Å; L143-M202 HydrophobicContact CD2-CG 4.46Å; L143-M202 HydrophobicContact CD2-SD 3.6Å
144	Q	89.2	Confident	86.6	Confident	146 Å²	146	81.6 Å²	81.6	68%	0.682	43%	0.43	S	S	*	.	H	α-helix	trans	-82.3	-23.4	174.5	-71.2	-179.5	9.3	0	0	112.9	V140 F141 T142 R146	V140-Q144 HydrophobicContact CG1-CG 4.48Å; V140-Q144 VanDerWaalsContact O-CB 3.31Å; V140-Q144 WeakPolarHBondContact O-CB 3.41Å; V140-Q144 VanDerWaalsContact O-CG 3.23Å; V140-Q144 WeakPolarHBondContact O-CG 3.46Å; V140-Q144 PolarHBondContact O-N 3.33Å; F141-Q144 PolarHBondContact O-N 2.93Å; T142-Q144 VanDerWaalsContact C-N 3.29Å; T142-Q144 PolarHBondContact O-N 3.28Å; Q144-R146 PolarHBondContact O-N 2.95Å; Q144-R146 VanDerWaalsContact O-N 3.1Å
145	S	83.3	Confident	86.3	Confident	36 Å²	36	83.5 Å²	83.5	25%	0.252	44%	0.441	S	S	.	.			trans	-64.3	112.7	178.5	-175	0	0	0	0	110.3	F141 T142 Y147	F141-S145 PolarHBondContact O-N 2.99Å; T142-S145 WeakPolarHBondContact O-CB 3.45Å; T142-S145 PolarHBondContact O-N 3.3Å; S145-Y147 PolarHBondContact O-N 2.94Å; S145-Y147 PolarHBondContact OG-O 2.81Å; S145-Y147 VanDerWaalsContact OG-O 3.05Å
146	R	70.1	Confident	86.1	Confident	224 Å²	224	83 Å²	83	85%	0.845	44%	0.438	S	S	*	.			trans	-71.5	-21.5	176.1	-65.8	-170.2	178.3	-167.7	0	113.1	Q144	Q144-R146 PolarHBondContact O-N 2.95Å; Q144-R146 VanDerWaalsContact O-N 3.1Å
147	Y	68.9	Low	85.9	Confident	185 Å²	185	84.8 Å²	84.8	73%	0.725	44%	0.438	S	S	*	.	S	Bend	trans	-102.7	135.3	-174.7	-63.1	-73.9	0	0	0	110.6	S145 V149	S145-Y147 PolarHBondContact O-N 2.94Å; S145-Y147 PolarHBondContact OG-O 2.81Å; S145-Y147 VanDerWaalsContact OG-O 3.05Å; Y147-V149 PolarHBondContact O-N 2.92Å
148	P	69.6	Low	85.9	Confident	77 Å²	77	87.1 Å²	87.1	50%	0.5	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-62.7	124.3	173	26.8	-33.1	0	0	0	108.8	S150 N199	P148-S150 PolarHBondContact O-N 2.84Å; P148-N199 WeakPolarHBondContact CA-OD1 3.36Å
149	V	72.3	Confident	85.9	Confident	39 Å²	39	89.2 Å²	89.2	24%	0.236	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-59.1	121.1	176.2	-177.7	0	0	0	0	109.5	Y147 I151 V195 N199	Y147-V149 PolarHBondContact O-N 2.92Å; V149-I151 HydrophobicContact CG1-CB 4.34Å; V149-I151 HydrophobicContact CG1-CD1 3.57Å; V149-I151 HydrophobicContact CG1-CG1 3.71Å; V149-I151 PolarHBondContact O-N 3.39Å; V149-V195 HydrophobicContact CG1-CG1 4.36Å; V149-V195 HydrophobicContact CG2-CG1 3.86Å; V149-N199 WeakPolarHBondContact CB-ND2 3.42Å; V149-N199 HydrophobicContact CG2-CB 4.39Å; V149-N199 PolarHBondContact N-ND2 3.08Å; V149-N199 PolarHBondContact O-ND2 3.42Å
150	S	75.6	Confident	86	Confident	121 Å²	121	89.9 Å²	89.9	85%	0.846	46%	0.459	S	S	*	.			trans	-83.9	51.1	-177.9	-179.2	0	0	0	0	112.2	P148	P148-S150 PolarHBondContact O-N 2.84Å
151	I	78.8	Confident	86.1	Confident	50 Å²	50	89 Å²	89	26%	0.256	46%	0.456	S	S	.	.			trans	-94.7	129.6	170.4	-66.4	166.1	0	0	0	108.3	V149 L156 L192 Y196	V149-I151 HydrophobicContact CG1-CB 4.34Å; V149-I151 HydrophobicContact CG1-CD1 3.57Å; V149-I151 HydrophobicContact CG1-CG1 3.71Å; V149-I151 PolarHBondContact O-N 3.39Å; I151-L156 HydrophobicContact CG2-CD1 3.85Å; I151-L156 HydrophobicContact CG2-CD2 4.14Å; I151-L156 HydrophobicContact CG2-CG 3.75Å; I151-L192 HydrophobicContact CD1-CD2 4.26Å; I151-Y196 HydrophobicContact CB-CD2 4.25Å; I151-Y196 HydrophobicContact CG2-CD2 4.3Å; I151-Y196 WeakPolarHBondContact O-CE2 3.29Å
152	R	82.8	Confident	86.3	Confident	204 Å²	204	87.5 Å²	87.5	77%	0.77	46%	0.457	S	S	*	.			trans	-80.5	125.7	174.4	-65.6	-179.9	-179.2	174	-0.2	108.6	S154 C155	R152-S154 PolarHBondContact O-N 2.9Å; R152-S154 VanDerWaalsContact O-N 3.11Å; R152-C155 WeakPolarHBondContact O-CB 3.45Å; R152-C155 PolarHBondContact O-N 3.43Å
153	G	86.5	Confident	86.5	Confident	27 Å²	27	88.2 Å²	88.2	28%	0.278	46%	0.461	S	S	.	.	H	α-helix	trans	-54.6	-32.7	179.3	0	0	0	0	0	113.2	C155 L156 F157	G153-C155 VanDerWaalsContact C-N 3.26Å; G153-C155 PolarHBondContact O-N 2.91Å; G153-L156 PolarHBondContact O-N 2.89Å; G153-F157 PolarHBondContact O-N 3.06Å
154	S	90.1	Very high	86.8	Confident	92 Å²	92	89.4 Å²	89.4	64%	0.643	47%	0.467	S	S	*	.	H	α-helix	trans	-59.4	-32.9	174.6	-45.4	0	0	0	0	113.6	R152 V158	R152-S154 PolarHBondContact O-N 2.9Å; R152-S154 VanDerWaalsContact O-N 3.11Å; S154-V158 WeakPolarHBondContact O-CG2 3.39Å; S154-V158 PolarHBondContact O-N 2.99Å; S154-V158 VanDerWaalsContact O-N 3.09Å
155	C	92.9	Very high	87.2	Confident	71 Å²	71	86.7 Å²	86.7	48%	0.48	46%	0.46	S	S	.	.	H	α-helix	trans	-68.6	-46.3	177	178.4	0	0	0	0	111.1	R152 G153 F157 V158 L159	R152-C155 WeakPolarHBondContact O-CB 3.45Å; R152-C155 PolarHBondContact O-N 3.43Å; G153-C155 VanDerWaalsContact C-N 3.26Å; G153-C155 PolarHBondContact O-N 2.91Å; C155-F157 VanDerWaalsContact C-N 3.3Å; C155-F157 PolarHBondContact O-N 3.33Å; C155-V158 PolarHBondContact O-N 3.41Å; C155-L159 WeakPolarHBondContact O-CG 3.45Å; C155-L159 PolarHBondContact O-N 3.15Å; C155-L159 VanDerWaalsContact O-N 3.09Å
156	L	93.5	Very high	87.8	Confident	3 Å²	3	85.7 Å²	85.7	2%	0.016	46%	0.455	C	S	.	.	H	α-helix	trans	-62.7	-38.7	176.2	-63.7	176.3	0	0	0	111.6	I151 G153 L159 L160 L189 L192 F193 Y196	I151-L156 HydrophobicContact CG2-CD1 3.85Å; I151-L156 HydrophobicContact CG2-CD2 4.14Å; I151-L156 HydrophobicContact CG2-CG 3.75Å; G153-L156 PolarHBondContact O-N 2.89Å; L156-L159 PolarHBondContact O-N 2.66Å; L156-L160 WeakPolarHBondContact O-CB 3.35Å; L156-L160 PolarHBondContact O-N 2.99Å; L156-L189 HydrophobicContact CD2-CD1 4.05Å; L156-L192 HydrophobicContact CD2-CB 3.88Å; L156-L192 HydrophobicContact CD2-CD1 4.44Å; L156-F193 HydrophobicContact CB-CD1 4.27Å; L156-F193 HydrophobicContact CB-CE1 3.61Å; L156-F193 HydrophobicContact CB-CE2 4.24Å; L156-F193 HydrophobicContact CB-CZ 3.6Å; L156-F193 HydrophobicContact CD1-CD1 3.93Å; L156-F193 HydrophobicContact CD1-CE1 4.06Å; L156-F193 HydrophobicContact CD1-CG 4.48Å; L156-F193 HydrophobicContact CG-CE1 4.42Å; L156-Y196 HydrophobicContact CD1-CD1 3.91Å; L156-Y196 HydrophobicContact CD1-CD2 3.87Å; L156-Y196 HydrophobicContact CD1-CG 3.49Å; L156-Y196 VanDerWaalsContact CD1-CG 3.49Å
157	F	93.8	Very high	88.9	Confident	129 Å²	129	77.1 Å²	77.1	57%	0.566	43%	0.426	S	S	*	.	H	α-helix	trans	-62.1	-43.1	175.6	-176.8	-102.8	0	0	0	112.7	G153 C155 L160 C161	G153-F157 PolarHBondContact O-N 3.06Å; C155-F157 VanDerWaalsContact C-N 3.3Å; C155-F157 PolarHBondContact O-N 3.33Å; F157-L160 WeakPolarHBondContact O-CB 3.4Å; F157-L160 PolarHBondContact O-N 3.3Å; F157-C161 PolarHBondContact O-N 2.91Å; F157-C161 PolarHBondContact O-SG 3.24Å; F157-C161 VanDerWaalsContact O-SG 3.38Å
158	V	96.5	Very high	90.2	Very high	90 Å²	90	72.8 Å²	72.8	55%	0.545	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-45	175.8	170.6	0	0	0	0	111	S154 C155 L160 C161 V162	S154-V158 WeakPolarHBondContact O-CG2 3.39Å; S154-V158 PolarHBondContact O-N 2.99Å; S154-V158 VanDerWaalsContact O-N 3.09Å; C155-V158 PolarHBondContact O-N 3.41Å; V158-L160 VanDerWaalsContact C-N 3.3Å; V158-L160 PolarHBondContact O-N 3.37Å; V158-C161 PolarHBondContact O-N 3.15Å; V158-V162 WeakPolarHBondContact O-CG2 3.4Å; V158-V162 PolarHBondContact O-N 2.84Å
159	L	96.3	Very high	91.4	Very high	78 Å²	78	71.9 Å²	71.9	41%	0.408	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-38.5	176.7	-68.1	174.3	0	0	0	112	C155 L156 V162 L163 L189	C155-L159 WeakPolarHBondContact O-CG 3.45Å; C155-L159 PolarHBondContact O-N 3.15Å; C155-L159 VanDerWaalsContact O-N 3.09Å; L156-L159 PolarHBondContact O-N 2.66Å; L159-V162 PolarHBondContact O-N 3.07Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 PolarHBondContact O-N 2.75Å; L159-L189 HydrophobicContact CB-CD1 3.56Å; L159-L189 HydrophobicContact CB-CD2 4.12Å; L159-L189 HydrophobicContact CB-CG 4.46Å; L159-L189 HydrophobicContact CD1-CD1 3.99Å; L159-L189 HydrophobicContact CG-CD1 4.44Å
160	L	96.5	Very high	92.5	Very high	45 Å²	45	70.9 Å²	70.9	24%	0.236	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-46.1	174.3	-176.7	68	0	0	0	111.4	L156 F157 V158 V162 L163 L164 L189 F190 F193	L156-L160 WeakPolarHBondContact O-CB 3.35Å; L156-L160 PolarHBondContact O-N 2.99Å; F157-L160 WeakPolarHBondContact O-CB 3.4Å; F157-L160 PolarHBondContact O-N 3.3Å; V158-L160 VanDerWaalsContact C-N 3.3Å; V158-L160 PolarHBondContact O-N 3.37Å; L160-V162 VanDerWaalsContact C-N 3.34Å; L160-V162 PolarHBondContact O-N 3.38Å; L160-L163 PolarHBondContact O-N 2.79Å; L160-L164 HydrophobicContact CG-CD1 4.38Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.43Å; L160-L189 HydrophobicContact CB-CD2 4.2Å; L160-L189 HydrophobicContact CD1-CD2 4.31Å; L160-F190 HydrophobicContact CD1-CE1 4.23Å; L160-F190 HydrophobicContact CD1-CZ 4.07Å; L160-F193 HydrophobicContact CB-CE2 4.2Å; L160-F193 HydrophobicContact CB-CZ 4.17Å; L160-F193 HydrophobicContact CD1-CE2 4.31Å; L160-F193 HydrophobicContact CD2-CZ 4.28Å
161	C	96.7	Very high	93.2	Very high	50 Å²	50	71 Å²	71	34%	0.338	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-43.4	176	-71.8	0	0	0	0	112.1	F157 V158 L163 L164 V165	F157-C161 PolarHBondContact O-N 2.91Å; F157-C161 PolarHBondContact O-SG 3.24Å; F157-C161 VanDerWaalsContact O-SG 3.38Å; V158-C161 PolarHBondContact O-N 3.15Å; C161-L163 VanDerWaalsContact C-N 3.34Å; C161-L163 PolarHBondContact O-N 3.03Å; C161-L164 PolarHBondContact O-N 3.38Å; C161-V165 WeakPolarHBondContact O-CG2 3.33Å; C161-V165 PolarHBondContact O-N 3.01Å
162	V	96.8	Very high	94	Very high	96 Å²	96	76.5 Å²	76.5	58%	0.582	41%	0.414	S	S	*	.	H	α-helix	trans	-61.4	-43.9	175.6	173	0	0	0	0	110.8	V158 L159 L160 L164 V165 G166	V158-V162 WeakPolarHBondContact O-CG2 3.4Å; V158-V162 PolarHBondContact O-N 2.84Å; L159-V162 PolarHBondContact O-N 3.07Å; L160-V162 VanDerWaalsContact C-N 3.34Å; L160-V162 PolarHBondContact O-N 3.38Å; V162-L164 PolarHBondContact O-N 2.95Å; V162-V165 PolarHBondContact O-N 3.24Å; V162-G166 PolarHBondContact O-N 3.44Å
163	L	96.9	Very high	94.5	Very high	15 Å²	15	71.4 Å²	71.4	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-41.1	177.5	-169	72.8	0	0	0	111.7	L159 L160 C161 G166 N167 L182 A185 L189 F190	L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 PolarHBondContact O-N 2.75Å; L160-L163 PolarHBondContact O-N 2.79Å; C161-L163 VanDerWaalsContact C-N 3.34Å; C161-L163 PolarHBondContact O-N 3.03Å; L163-G166 PolarHBondContact O-N 3.28Å; L163-N167 PolarHBondContact O-N 2.87Å; L163-N167 PolarHBondContact O-ND2 3.27Å; L163-L182 HydrophobicContact CD1-CD2 4.13Å; L163-A185 HydrophobicContact CD1-CB 4.05Å; L163-L189 HydrophobicContact CB-CD2 4.25Å; L163-L189 HydrophobicContact CD2-CD2 3.95Å; L163-F190 HydrophobicContact CD2-CE2 3.71Å; L163-F190 HydrophobicContact CD2-CZ 4.19Å
164	L	95.7	Very high	94.8	Very high	99 Å²	99	77.6 Å²	77.6	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.9	-72.7	175.5	0	0	0	111.9	L160 C161 V162 G166 N167 I168	L160-L164 HydrophobicContact CG-CD1 4.38Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.43Å; C161-L164 PolarHBondContact O-N 3.38Å; V162-L164 PolarHBondContact O-N 2.95Å; L164-G166 VanDerWaalsContact C-N 3.3Å; L164-G166 PolarHBondContact O-N 3.44Å; L164-N167 PolarHBondContact O-N 3.32Å; L164-I168 WeakPolarHBondContact O-CG1 3.29Å; L164-I168 PolarHBondContact O-N 3.09Å
165	V	96.9	Very high	94.9	Very high	89 Å²	89	77.3 Å²	77.3	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-42.1	174.9	173.6	0	0	0	0	110.5	C161 V162 N167 I168 V169	C161-V165 WeakPolarHBondContact O-CG2 3.33Å; C161-V165 PolarHBondContact O-N 3.01Å; V162-V165 PolarHBondContact O-N 3.24Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 3.09Å; V165-I168 PolarHBondContact O-N 3.43Å; V165-I168 VanDerWaalsContact O-N 3.15Å; V165-V169 HydrophobicContact CG1-CG2 4.39Å; V165-V169 WeakPolarHBondContact O-CG2 3.33Å; V165-V169 PolarHBondContact O-N 3.25Å
166	G	96.2	Very high	94.9	Very high	15 Å²	15	76.5 Å²	76.5	16%	0.155	41%	0.412	C	S	.	.	H	α-helix	trans	-57.9	-43.9	174.7	0	0	0	0	0	112.9	V162 L163 L164 I168 V169 Q170 L182	V162-G166 PolarHBondContact O-N 3.44Å; L163-G166 PolarHBondContact O-N 3.28Å; L164-G166 VanDerWaalsContact C-N 3.3Å; L164-G166 PolarHBondContact O-N 3.44Å; G166-I168 VanDerWaalsContact C-N 3.34Å; G166-I168 PolarHBondContact O-N 2.77Å; G166-V169 PolarHBondContact O-N 2.92Å; G166-Q170 WeakPolarHBondContact O-CB 3.22Å; G166-Q170 PolarHBondContact O-N 3.29Å; G166-L182 WeakPolarHBondContact O-CD1 3.45Å
167	N	94.4	Very high	94.8	Very high	44 Å²	44	80.6 Å²	80.6	24%	0.235	44%	0.441	C	S	.	.	H	α-helix	trans	-61.9	-40.2	174.5	-83.4	-89.7	0	0	0	112.1	L163 L164 V165 Q170 L171 R230	L163-N167 PolarHBondContact O-N 2.87Å; L163-N167 PolarHBondContact O-ND2 3.27Å; L164-N167 PolarHBondContact O-N 3.32Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 3.09Å; N167-Q170 WeakPolarHBondContact O-CB 3.45Å; N167-Q170 PolarHBondContact O-N 2.96Å; N167-L171 WeakPolarHBondContact O-CG 3.49Å; N167-L171 PolarHBondContact O-N 3.22Å; N167-R230 PolarHBondContact OD1-NH1 3.38Å; N167-R230 PolarHBondContact OD1-NH2 2.84Å
168	I	95.2	Very high	94.8	Very high	95 Å²	95	76.6 Å²	76.6	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-45.5	176.2	-65.7	167.2	0	0	0	110.7	L164 V165 G166 Q170 L171 F172	L164-I168 WeakPolarHBondContact O-CG1 3.29Å; L164-I168 PolarHBondContact O-N 3.09Å; V165-I168 PolarHBondContact O-N 3.43Å; V165-I168 VanDerWaalsContact O-N 3.15Å; G166-I168 VanDerWaalsContact C-N 3.34Å; G166-I168 PolarHBondContact O-N 2.77Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.23Å; I168-L171 WeakPolarHBondContact O-CB 3.28Å; I168-L171 PolarHBondContact O-N 3.21Å; I168-L171 VanDerWaalsContact O-N 3.14Å; I168-F172 HydrophobicContact CG2-CE2 4.03Å; I168-F172 VanDerWaalsContact O-CD2 3.25Å; I168-F172 WeakPolarHBondContact O-CD2 3.34Å
169	V	95.8	Very high	94.7	Very high	58 Å²	58	74.4 Å²	74.4	35%	0.352	41%	0.409	S	S	.	.	H	α-helix	trans	-59.2	-40	176.7	170	0	0	0	0	111	V165 G166 L171 F172 L173	V165-V169 HydrophobicContact CG1-CG2 4.39Å; V165-V169 WeakPolarHBondContact O-CG2 3.33Å; V165-V169 PolarHBondContact O-N 3.25Å; G166-V169 PolarHBondContact O-N 2.92Å; V169-L171 VanDerWaalsContact C-N 3.26Å; V169-L171 PolarHBondContact O-N 3.04Å; V169-F172 PolarHBondContact O-N 2.89Å; V169-F172 VanDerWaalsContact O-N 3.1Å; V169-L173 HydrophobicContact CG1-CD1 3.47Å; V169-L173 VanDerWaalsContact CG1-CD1 3.47Å; V169-L173 HydrophobicContact CG1-CG 3.93Å; V169-L173 PolarHBondContact O-N 3.36Å
170	Q	94.6	Very high	94.7	Very high	18 Å²	18	73.1 Å²	73.1	8%	0.084	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-30.9	177.8	-175.9	55.8	-6.7	0	0	113.3	G166 N167 I168 F172 Q174 L175 L178 E179 L182	G166-Q170 WeakPolarHBondContact O-CB 3.22Å; G166-Q170 PolarHBondContact O-N 3.29Å; N167-Q170 WeakPolarHBondContact O-CB 3.45Å; N167-Q170 PolarHBondContact O-N 2.96Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.23Å; Q170-F172 PolarHBondContact O-N 2.89Å; Q170-Q174 WeakPolarHBondContact O-CA 3.34Å; Q170-Q174 PolarHBondContact O-N 3.42Å; Q170-L175 PolarHBondContact NE2-O 3.36Å; Q170-L175 VanDerWaalsContact OE1-N 3.12Å; Q170-L175 PolarHBondContact OE1-O 3.45Å; Q170-L178 HydrophobicContact CB-CD2 3.56Å; Q170-L178 HydrophobicContact CG-CD2 4.04Å; Q170-E179 VanDerWaalsContact CG-OE2 3.24Å; Q170-E179 WeakPolarHBondContact CG-OE2 3.47Å; Q170-E179 PolarHBondContact NE2-OE2 3.34Å; Q170-L182 HydrophobicContact CB-CD1 3.77Å; Q170-L182 HydrophobicContact CG-CD1 4.19Å
171	L	91.3	Very high	94.7	Very high	124 Å²	124	77.5 Å²	77.5	65%	0.649	42%	0.419	S	S	*	.	H	α-helix	trans	-60	-31.2	175.2	-63	176.5	0	0	0	112.3	N167 I168 V169	N167-L171 WeakPolarHBondContact O-CG 3.49Å; N167-L171 PolarHBondContact O-N 3.22Å; I168-L171 WeakPolarHBondContact O-CB 3.28Å; I168-L171 PolarHBondContact O-N 3.21Å; I168-L171 VanDerWaalsContact O-N 3.14Å; V169-L171 VanDerWaalsContact C-N 3.26Å; V169-L171 PolarHBondContact O-N 3.04Å
172	F	94.9	Very high	94.7	Very high	165 Å²	165	75.6 Å²	75.6	72%	0.724	41%	0.406	S	S	*	.	H	α-helix	trans	-93.2	-40.5	179.6	-61	-78.9	0	0	0	113.1	I168 V169 Q170	I168-F172 HydrophobicContact CG2-CE2 4.03Å; I168-F172 VanDerWaalsContact O-CD2 3.25Å; I168-F172 WeakPolarHBondContact O-CD2 3.34Å; V169-F172 PolarHBondContact O-N 2.89Å; V169-F172 VanDerWaalsContact O-N 3.1Å; Q170-F172 PolarHBondContact O-N 2.89Å
173	L	93.7	Very high	94.7	Very high	97 Å²	97	71 Å²	71	51%	0.508	38%	0.378	S	S	.	.	H	α-helix	trans	-85.7	-32.2	-174.1	-63.9	-173.5	0	0	0	113.6	V169 L175	V169-L173 HydrophobicContact CG1-CD1 3.47Å; V169-L173 VanDerWaalsContact CG1-CD1 3.47Å; V169-L173 HydrophobicContact CG1-CG 3.93Å; V169-L173 PolarHBondContact O-N 3.36Å; L173-L175 HydrophobicContact CB-CD1 4.18Å; L173-L175 HydrophobicContact CB-CG 4.03Å; L173-L175 HydrophobicContact CD1-CD1 4.29Å; L173-L175 PolarHBondContact O-N 3.06Å; L173-L175 VanDerWaalsContact O-N 3.15Å
174	Q	91.6	Very high	94.8	Very high	157 Å²	157	74.8 Å²	74.8	73%	0.734	40%	0.398	S	S	*	.			trans	47.8	42.1	178.4	-59.5	-175.8	-17	0	0	113.9	Q170	Q170-Q174 WeakPolarHBondContact O-CA 3.34Å; Q170-Q174 PolarHBondContact O-N 3.42Å
175	L	93	Very high	94.9	Very high	85 Å²	85	71.8 Å²	71.8	45%	0.445	39%	0.388	S	S	.	.			trans	-89.3	130.8	-178	-62.7	174.1	0	0	0	110.2	Q170 L173 S177 L178 E179	Q170-L175 PolarHBondContact NE2-O 3.36Å; Q170-L175 VanDerWaalsContact OE1-N 3.12Å; Q170-L175 PolarHBondContact OE1-O 3.45Å; L173-L175 HydrophobicContact CB-CD1 4.18Å; L173-L175 HydrophobicContact CB-CG 4.03Å; L173-L175 HydrophobicContact CD1-CD1 4.29Å; L173-L175 PolarHBondContact O-N 3.06Å; L173-L175 VanDerWaalsContact O-N 3.15Å; L175-S177 VanDerWaalsContact C-N 3.32Å; L175-S177 PolarHBondContact O-N 3.5Å; L175-L178 HydrophobicContact CB-CB 3.92Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-E179 PolarHBondContact O-N 3.21Å
176	A	91.5	Very high	95	Very high	55 Å²	55	67.6 Å²	67.6	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-37.9	178.9	0	0	0	0	0	113	L178 E179 L180	A176-L178 VanDerWaalsContact C-N 3.35Å; A176-E179 WeakPolarHBondContact O-CB 3.29Å; A176-E179 PolarHBondContact O-N 3.04Å; A176-L180 PolarHBondContact O-N 3.36Å; A176-L180 VanDerWaalsContact O-N 3.14Å
177	S	91.8	Very high	95.1	Very high	89 Å²	89	67.4 Å²	67.4	62%	0.622	36%	0.359	S	S	*	.	H	α-helix	trans	-65.7	-38	176.1	53.4	0	0	0	0	112.4	L175 F181	L175-S177 VanDerWaalsContact C-N 3.32Å; L175-S177 PolarHBondContact O-N 3.5Å; S177-F181 WeakPolarHBondContact O-CB 3.36Å; S177-F181 PolarHBondContact O-N 3.44Å; S177-F181 VanDerWaalsContact O-N 3.08Å
178	L	94.1	Very high	95.2	Very high	45 Å²	45	68 Å²	68	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-37.5	177	-164	113.6	0	0	0	111	Q170 L175 A176 F181 L182	Q170-L178 HydrophobicContact CB-CD2 3.56Å; Q170-L178 HydrophobicContact CG-CD2 4.04Å; L175-L178 HydrophobicContact CB-CB 3.92Å; L175-L178 PolarHBondContact O-N 3.26Å; A176-L178 VanDerWaalsContact C-N 3.35Å; L178-F181 PolarHBondContact O-N 3.02Å; L178-L182 HydrophobicContact CD2-CD1 3.63Å; L178-L182 HydrophobicContact CD2-CG 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.21Å; L178-L182 HydrophobicContact CG-CG 4.41Å; L178-L182 WeakPolarHBondContact O-CB 3.42Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 2.9Å
179	E	94.5	Very high	95.4	Very high	44 Å²	44	63.8 Å²	63.8	21%	0.206	35%	0.349	C	S	.	.	H	α-helix	trans	-57.1	-50.1	173.6	-167	65.6	-155.3	0	0	111.4	Q170 L175 A176 F181 L182 G183 R230	Q170-E179 VanDerWaalsContact CG-OE2 3.24Å; Q170-E179 WeakPolarHBondContact CG-OE2 3.47Å; Q170-E179 PolarHBondContact NE2-OE2 3.34Å; L175-E179 PolarHBondContact O-N 3.21Å; A176-E179 WeakPolarHBondContact O-CB 3.29Å; A176-E179 PolarHBondContact O-N 3.04Å; E179-F181 PolarHBondContact O-N 3.38Å; E179-L182 PolarHBondContact O-N 2.93Å; E179-G183 PolarHBondContact O-N 3.2Å; E179-R230 VanDerWaalsContact OE1-CD 3.32Å; E179-R230 WeakPolarHBondContact OE1-CD 3.27Å; E179-R230 IonicContact OE1-NE 3.69Å; E179-R230 IonicContact OE1-NH1 3.07Å
180	L	95.6	Very high	95.5	Very high	50 Å²	50	61.8 Å²	61.8	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-45.5	178.2	-176.4	60	0	0	0	111.6	A176 G183 L184 I231 Q234	A176-L180 PolarHBondContact O-N 3.36Å; A176-L180 VanDerWaalsContact O-N 3.14Å; L180-G183 PolarHBondContact O-N 3.05Å; L180-L184 HydrophobicContact CD1-CD1 4.46Å; L180-L184 HydrophobicContact CG-CD1 4.19Å; L180-L184 WeakPolarHBondContact O-CG 3.4Å; L180-L184 PolarHBondContact O-N 3.36Å; L180-I231 HydrophobicContact CD1-CG2 4.16Å; L180-Q234 HydrophobicContact CB-CG 4.01Å; L180-Q234 HydrophobicContact CD1-CB 4.31Å; L180-Q234 HydrophobicContact CD1-CG 4.33Å
181	F	96.5	Very high	95.6	Very high	137 Å²	137	62.3 Å²	62.3	60%	0.601	34%	0.341	S	S	*	.	H	α-helix	trans	-61.7	-45.1	179.4	177.2	-100.3	0	0	0	111.9	S177 L178 E179 G183 L184 A185	S177-F181 WeakPolarHBondContact O-CB 3.36Å; S177-F181 PolarHBondContact O-N 3.44Å; S177-F181 VanDerWaalsContact O-N 3.08Å; L178-F181 PolarHBondContact O-N 3.02Å; E179-F181 PolarHBondContact O-N 3.38Å; F181-G183 VanDerWaalsContact C-N 3.33Å; F181-G183 PolarHBondContact O-N 2.95Å; F181-L184 PolarHBondContact O-N 3.44Å; F181-A185 VanDerWaalsContact O-CB 3.32Å; F181-A185 WeakPolarHBondContact O-CB 3.49Å; F181-A185 PolarHBondContact O-N 3.04Å
182	L	97.4	Very high	95.8	Very high	11 Å²	11	59.9 Å²	59.9	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-37.4	176.6	-70.3	173.8	0	0	0	112	L163 G166 Q170 L178 E179 G186	L163-L182 HydrophobicContact CD1-CD2 4.13Å; G166-L182 WeakPolarHBondContact O-CD1 3.45Å; Q170-L182 HydrophobicContact CB-CD1 3.77Å; Q170-L182 HydrophobicContact CG-CD1 4.19Å; L178-L182 HydrophobicContact CD2-CD1 3.63Å; L178-L182 HydrophobicContact CD2-CG 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.21Å; L178-L182 HydrophobicContact CG-CG 4.41Å; L178-L182 WeakPolarHBondContact O-CB 3.42Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 2.9Å; E179-L182 PolarHBondContact O-N 2.93Å; L182-G186 PolarHBondContact O-N 2.88Å
183	G	97.6	Very high	95.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-50.3	172.5	0	0	0	0	0	111.8	E179 L180 F181 G186 A187 I231	E179-G183 PolarHBondContact O-N 3.2Å; L180-G183 PolarHBondContact O-N 3.05Å; F181-G183 VanDerWaalsContact C-N 3.33Å; F181-G183 PolarHBondContact O-N 2.95Å; G183-G186 PolarHBondContact O-N 2.99Å; G183-A187 WeakPolarHBondContact O-CB 3.48Å; G183-A187 PolarHBondContact O-N 3.12Å; G183-I231 WeakPolarHBondContact O-CD1 3.45Å
184	L	98	Very high	96.1	Very high	94 Å²	94	48.7 Å²	48.7	49%	0.492	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-46.8	177.9	-71.7	170.1	0	0	0	112.2	L180 F181 G186 A187 A188 I231	L180-L184 HydrophobicContact CD1-CD1 4.46Å; L180-L184 HydrophobicContact CG-CD1 4.19Å; L180-L184 WeakPolarHBondContact O-CG 3.4Å; L180-L184 PolarHBondContact O-N 3.36Å; F181-L184 PolarHBondContact O-N 3.44Å; L184-G186 VanDerWaalsContact C-N 3.34Å; L184-G186 PolarHBondContact O-N 3.01Å; L184-A187 PolarHBondContact O-N 3.33Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 2.59Å; L184-I231 HydrophobicContact CD2-CD1 3.89Å; L184-I231 HydrophobicContact CD2-CG1 4.24Å; L184-I231 HydrophobicContact CD2-CG2 4.48Å; L184-I231 HydrophobicContact CG-CD1 4.29Å; L184-I231 HydrophobicContact CG-CG1 4.28Å
185	A	98	Very high	96.2	Very high	36 Å²	36	41.8 Å²	41.8	30%	0.298	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-42.3	177.4	0	0	0	0	0	111.6	L163 F181 L189	L163-A185 HydrophobicContact CD1-CB 4.05Å; F181-A185 VanDerWaalsContact O-CB 3.32Å; F181-A185 WeakPolarHBondContact O-CB 3.49Å; F181-A185 PolarHBondContact O-N 3.04Å; A185-L189 VanDerWaalsContact O-CB 3.24Å; A185-L189 WeakPolarHBondContact O-CB 3.38Å; A185-L189 PolarHBondContact O-N 2.94Å
186	G	98.4	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-49.6	175.6	0	0	0	0	0	112.2	L182 G183 L184 A188 L189 F190	L182-G186 PolarHBondContact O-N 2.88Å; G183-G186 PolarHBondContact O-N 2.99Å; L184-G186 VanDerWaalsContact C-N 3.34Å; L184-G186 PolarHBondContact O-N 3.01Å; G186-A188 VanDerWaalsContact C-N 3.31Å; G186-A188 PolarHBondContact O-N 3.25Å; G186-L189 PolarHBondContact O-N 3.25Å; G186-L189 VanDerWaalsContact O-N 3.15Å; G186-F190 WeakPolarHBondContact O-CD2 3.32Å; G186-F190 PolarHBondContact O-N 3.43Å
187	A	98.5	Very high	96.5	Very high	11 Å²	11	38 Å²	38	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-42.4	179.3	0	0	0	0	0	111.8	G183 L184 S191 L224 L228 I231	G183-A187 WeakPolarHBondContact O-CB 3.48Å; G183-A187 PolarHBondContact O-N 3.12Å; L184-A187 PolarHBondContact O-N 3.33Å; A187-S191 VanDerWaalsContact O-CB 3.27Å; A187-S191 WeakPolarHBondContact O-CB 3.23Å; A187-S191 PolarHBondContact O-N 3.49Å; A187-S191 VanDerWaalsContact O-N 3.07Å; A187-S191 PolarHBondContact O-OG 3.41Å; A187-L224 HydrophobicContact CB-CD1 3.96Å; A187-L224 WeakPolarHBondContact O-CD1 3.32Å; A187-L228 HydrophobicContact CB-CD2 3.96Å; A187-L228 HydrophobicContact CB-CG 4.32Å; A187-I231 HydrophobicContact CB-CD1 3.87Å
188	A	97.8	Very high	96.5	Very high	56 Å²	56	33.8 Å²	33.8	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-63.6	-47	174.2	0	0	0	0	0	111.8	L184 G186 S191 L192	L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 2.59Å; G186-A188 VanDerWaalsContact C-N 3.31Å; G186-A188 PolarHBondContact O-N 3.25Å; A188-S191 PolarHBondContact O-N 2.95Å; A188-L192 WeakPolarHBondContact O-CG 3.47Å; A188-L192 PolarHBondContact O-N 2.96Å; A188-L192 VanDerWaalsContact O-N 3.08Å
189	L	97.9	Very high	96.4	Very high	8 Å²	8	32 Å²	32	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-48.6	-178.2	179.6	59.7	0	0	0	112.3	L156 L159 L160 L163 A185 G186 S191 L192 F193	L156-L189 HydrophobicContact CD2-CD1 4.05Å; L159-L189 HydrophobicContact CB-CD1 3.56Å; L159-L189 HydrophobicContact CB-CD2 4.12Å; L159-L189 HydrophobicContact CB-CG 4.46Å; L159-L189 HydrophobicContact CD1-CD1 3.99Å; L159-L189 HydrophobicContact CG-CD1 4.44Å; L160-L189 HydrophobicContact CB-CD2 4.2Å; L160-L189 HydrophobicContact CD1-CD2 4.31Å; L163-L189 HydrophobicContact CB-CD2 4.25Å; L163-L189 HydrophobicContact CD2-CD2 3.95Å; A185-L189 VanDerWaalsContact O-CB 3.24Å; A185-L189 WeakPolarHBondContact O-CB 3.38Å; A185-L189 PolarHBondContact O-N 2.94Å; G186-L189 PolarHBondContact O-N 3.25Å; G186-L189 VanDerWaalsContact O-N 3.15Å; L189-S191 VanDerWaalsContact C-N 3.32Å; L189-S191 PolarHBondContact O-N 2.98Å; L189-L192 WeakPolarHBondContact O-CB 3.44Å; L189-L192 PolarHBondContact O-N 2.88Å; L189-L192 VanDerWaalsContact O-N 3.12Å; L189-F193 HydrophobicContact CD1-CD2 3.96Å; L189-F193 HydrophobicContact CD1-CE2 3.67Å; L189-F193 HydrophobicContact CD2-CE2 4.02Å; L189-F193 HydrophobicContact CG-CD2 3.81Å; L189-F193 HydrophobicContact CG-CE2 3.66Å; L189-F193 WeakPolarHBondContact O-CD2 3.07Å; L189-F193 PolarHBondContact O-N 3.49Å
190	F	98.2	Very high	96.2	Very high	16 Å²	16	31.6 Å²	31.6	7%	0.07	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-28.8	-179.2	-68.9	-64.8	0	0	0	112.5	L160 L163 G186 L192 F193 I194 N223 L224	L160-F190 HydrophobicContact CD1-CE1 4.23Å; L160-F190 HydrophobicContact CD1-CZ 4.07Å; L163-F190 HydrophobicContact CD2-CE2 3.71Å; L163-F190 HydrophobicContact CD2-CZ 4.19Å; G186-F190 WeakPolarHBondContact O-CD2 3.32Å; G186-F190 PolarHBondContact O-N 3.43Å; F190-L192 VanDerWaalsContact C-N 3.31Å; F190-L192 PolarHBondContact O-N 3.47Å; F190-F193 HydrophobicContact CD1-CD2 4.02Å; F190-F193 HydrophobicContact CE1-CD2 4.35Å; F190-F193 PolarHBondContact O-N 2.94Å; F190-I194 WeakPolarHBondContact O-CG1 3.4Å; F190-I194 PolarHBondContact O-N 3.48Å; F190-N223 HydrophobicContact CD1-CB 3.56Å; F190-N223 HydrophobicContact CD2-CB 3.49Å; F190-N223 VanDerWaalsContact CD2-CB 3.49Å; F190-N223 HydrophobicContact CE1-CB 3.48Å; F190-N223 VanDerWaalsContact CE1-CB 3.48Å; F190-N223 WeakPolarHBondContact CE1-ND2 3.31Å; F190-N223 HydrophobicContact CE2-CB 3.45Å; F190-N223 VanDerWaalsContact CE2-CB 3.45Å; F190-N223 HydrophobicContact CG-CB 3.57Å; F190-N223 HydrophobicContact CZ-CB 3.44Å; F190-N223 VanDerWaalsContact CZ-CB 3.44Å; F190-L224 HydrophobicContact CB-CB 4.02Å
191	S	97.6	Very high	96	Very high	29 Å²	29	29.3 Å²	29.3	20%	0.203	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-40.5	167.7	-61.3	0	0	0	0	111.8	A187 A188 L189 I194 V195	A187-S191 VanDerWaalsContact O-CB 3.27Å; A187-S191 WeakPolarHBondContact O-CB 3.23Å; A187-S191 PolarHBondContact O-N 3.49Å; A187-S191 VanDerWaalsContact O-N 3.07Å; A187-S191 PolarHBondContact O-OG 3.41Å; A188-S191 PolarHBondContact O-N 2.95Å; L189-S191 VanDerWaalsContact C-N 3.32Å; L189-S191 PolarHBondContact O-N 2.98Å; S191-I194 PolarHBondContact O-N 3.09Å; S191-V195 WeakPolarHBondContact O-CG2 3.24Å; S191-V195 PolarHBondContact O-N 3.39Å
192	L	95.8	Very high	95.5	Very high	73 Å²	73	24 Å²	24	38%	0.382	14%	0.139	S	C	.	.	H	α-helix	trans	-68.4	-38.2	174.4	-68.9	173.3	0	0	0	112.3	I151 L156 A188 L189 F190 V195 Y196	I151-L192 HydrophobicContact CD1-CD2 4.26Å; L156-L192 HydrophobicContact CD2-CB 3.88Å; L156-L192 HydrophobicContact CD2-CD1 4.44Å; A188-L192 WeakPolarHBondContact O-CG 3.47Å; A188-L192 PolarHBondContact O-N 2.96Å; A188-L192 VanDerWaalsContact O-N 3.08Å; L189-L192 WeakPolarHBondContact O-CB 3.44Å; L189-L192 PolarHBondContact O-N 2.88Å; L189-L192 VanDerWaalsContact O-N 3.12Å; F190-L192 VanDerWaalsContact C-N 3.31Å; F190-L192 PolarHBondContact O-N 3.47Å; L192-V195 PolarHBondContact O-N 3.5Å; L192-Y196 VanDerWaalsContact O-CB 3.3Å; L192-Y196 WeakPolarHBondContact O-CB 3.48Å; L192-Y196 PolarHBondContact O-N 3.23Å
193	F	96.9	Very high	94.9	Very high	27 Å²	27	25.3 Å²	25.3	12%	0.118	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-44.9	173.1	-85.8	-69.7	0	0	0	111.7	L156 L160 L189 F190 V195 Y196 D197 D220	L156-F193 HydrophobicContact CB-CD1 4.27Å; L156-F193 HydrophobicContact CB-CE1 3.61Å; L156-F193 HydrophobicContact CB-CE2 4.24Å; L156-F193 HydrophobicContact CB-CZ 3.6Å; L156-F193 HydrophobicContact CD1-CD1 3.93Å; L156-F193 HydrophobicContact CD1-CE1 4.06Å; L156-F193 HydrophobicContact CD1-CG 4.48Å; L156-F193 HydrophobicContact CG-CE1 4.42Å; L160-F193 HydrophobicContact CB-CE2 4.2Å; L160-F193 HydrophobicContact CB-CZ 4.17Å; L160-F193 HydrophobicContact CD1-CE2 4.31Å; L160-F193 HydrophobicContact CD2-CZ 4.28Å; L189-F193 HydrophobicContact CD1-CD2 3.96Å; L189-F193 HydrophobicContact CD1-CE2 3.67Å; L189-F193 HydrophobicContact CD2-CE2 4.02Å; L189-F193 HydrophobicContact CG-CD2 3.81Å; L189-F193 HydrophobicContact CG-CE2 3.66Å; L189-F193 WeakPolarHBondContact O-CD2 3.07Å; L189-F193 PolarHBondContact O-N 3.49Å; F190-F193 HydrophobicContact CD1-CD2 4.02Å; F190-F193 HydrophobicContact CE1-CD2 4.35Å; F190-F193 PolarHBondContact O-N 2.94Å; F193-V195 VanDerWaalsContact C-N 3.32Å; F193-V195 PolarHBondContact O-N 3.07Å; F193-Y196 CarbonylContact O-C 3.55Å; F193-Y196 WeakPolarHBondContact O-CA 3.24Å; F193-Y196 WeakPolarHBondContact O-CB 3.47Å; F193-Y196 PolarHBondContact O-N 3.01Å; F193-D197 WeakPolarHBondContact O-CB 3.39Å; F193-D197 PolarHBondContact O-N 3.38Å; F193-D220 HydrophobicContact CB-CB 4.11Å; F193-D220 VanDerWaalsContact CB-CG 3.45Å; F193-D220 WeakPolarHBondContact CB-OD1 3.49Å
194	I	96.7	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.1	-48.8	175.1	-71.8	167.6	0	0	0	111.3	V135 L138 F139 F190 S191 Y196 L198 D220 I221 L224	V135-I194 HydrophobicContact CG2-CD1 4.18Å; L138-I194 HydrophobicContact CB-CG2 4.02Å; L138-I194 HydrophobicContact CD1-CB 4.27Å; L138-I194 HydrophobicContact CD1-CD1 4.02Å; L138-I194 HydrophobicContact CD1-CG2 4.19Å; F139-I194 HydrophobicContact CD1-CG2 3.86Å; F139-I194 HydrophobicContact CE1-CG2 3.62Å; F190-I194 WeakPolarHBondContact O-CG1 3.4Å; F190-I194 PolarHBondContact O-N 3.48Å; S191-I194 PolarHBondContact O-N 3.09Å; I194-Y196 VanDerWaalsContact C-N 3.32Å; I194-Y196 PolarHBondContact O-N 3.42Å; I194-L198 WeakPolarHBondContact O-CB 3.28Å; I194-L198 PolarHBondContact O-N 3.33Å; I194-D220 HydrophobicContact CG1-CB 3.61Å; I194-I221 HydrophobicContact CD1-CG1 3.75Å; I194-I221 HydrophobicContact CG1-CG1 4.07Å; I194-L224 HydrophobicContact CD1-CD2 3.69Å
195	V	95.4	Very high	93.3	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-42.4	178.4	173.2	0	0	0	0	110.7	L138 F141 V149 S191 L192 F193 N199	L138-V195 HydrophobicContact CB-CG2 4.47Å; L138-V195 HydrophobicContact CD2-CG2 3.82Å; F141-V195 HydrophobicContact CD1-CG2 4.47Å; F141-V195 HydrophobicContact CE1-CG1 4.41Å; V149-V195 HydrophobicContact CG1-CG1 4.36Å; V149-V195 HydrophobicContact CG2-CG1 3.86Å; S191-V195 WeakPolarHBondContact O-CG2 3.24Å; S191-V195 PolarHBondContact O-N 3.39Å; L192-V195 PolarHBondContact O-N 3.5Å; F193-V195 VanDerWaalsContact C-N 3.32Å; F193-V195 PolarHBondContact O-N 3.07Å; V195-N199 WeakPolarHBondContact O-CB 3.46Å; V195-N199 PolarHBondContact O-N 3.3Å
196	Y	94.4	Very high	92.5	Very high	45 Å²	45	26.4 Å²	26.4	18%	0.176	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-50.9	179.6	177.4	-96.7	0	0	0	112.5	I151 L156 L192 F193 I194 N199 L200	I151-Y196 HydrophobicContact CB-CD2 4.25Å; I151-Y196 HydrophobicContact CG2-CD2 4.3Å; I151-Y196 WeakPolarHBondContact O-CE2 3.29Å; L156-Y196 HydrophobicContact CD1-CD1 3.91Å; L156-Y196 HydrophobicContact CD1-CD2 3.87Å; L156-Y196 HydrophobicContact CD1-CG 3.49Å; L156-Y196 VanDerWaalsContact CD1-CG 3.49Å; L192-Y196 VanDerWaalsContact O-CB 3.3Å; L192-Y196 WeakPolarHBondContact O-CB 3.48Å; L192-Y196 PolarHBondContact O-N 3.23Å; F193-Y196 CarbonylContact O-C 3.55Å; F193-Y196 WeakPolarHBondContact O-CA 3.24Å; F193-Y196 WeakPolarHBondContact O-CB 3.47Å; F193-Y196 PolarHBondContact O-N 3.01Å; I194-Y196 VanDerWaalsContact C-N 3.32Å; I194-Y196 PolarHBondContact O-N 3.42Å; Y196-N199 WeakPolarHBondContact O-CB 3.37Å; Y196-N199 PolarHBondContact O-N 3.24Å; Y196-L200 WeakPolarHBondContact O-CB 3.32Å; Y196-L200 PolarHBondContact O-N 2.91Å
197	D	94.5	Very high	91.4	Very high	16 Å²	16	28.6 Å²	28.6	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-72.5	-33.8	-176.5	-78.8	-47.1	0	0	0	111.9	F193 L200 L201 L217	F193-D197 WeakPolarHBondContact O-CB 3.39Å; F193-D197 PolarHBondContact O-N 3.38Å; D197-L200 PolarHBondContact O-N 2.99Å; D197-L201 VanDerWaalsContact O-CB 3.27Å; D197-L201 WeakPolarHBondContact O-CB 3.37Å; D197-L201 PolarHBondContact O-N 3.14Å; D197-L217 HydrophobicContact CB-CD2 3.87Å; D197-L217 HydrophobicContact CB-CG 4.28Å
198	L	93.8	Very high	90.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69	-38.6	171.5	-176.9	54.8	0	0	0	111.4	L35 F139 T142 L143 I194 L201 M202 L217	L35-L198 HydrophobicContact CD1-CD1 4.32Å; F139-L198 HydrophobicContact CB-CD2 4.2Å; F139-L198 HydrophobicContact CD1-CD2 3.71Å; F139-L198 HydrophobicContact CE1-CD2 4.19Å; F139-L198 HydrophobicContact CG-CD2 3.9Å; T142-L198 HydrophobicContact CG2-CB 3.93Å; T142-L198 HydrophobicContact CG2-CD2 3.94Å; T142-L198 HydrophobicContact CG2-CG 3.77Å; L143-L198 HydrophobicContact CD2-CD1 4.14Å; L143-L198 HydrophobicContact CD2-CD2 4.41Å; L143-L198 HydrophobicContact CD2-CG 4.45Å; L143-L198 HydrophobicContact CG-CD2 4.28Å; I194-L198 WeakPolarHBondContact O-CB 3.28Å; I194-L198 PolarHBondContact O-N 3.33Å; L198-L201 HydrophobicContact CD1-CD2 3.95Å; L198-L201 WeakPolarHBondContact O-CB 3.43Å; L198-L201 PolarHBondContact O-N 3.11Å; L198-M202 WeakPolarHBondContact O-CG 3.43Å; L198-M202 PolarHBondContact O-N 3.27Å; L198-M202 VanDerWaalsContact O-N 3.15Å; L198-L217 HydrophobicContact CB-CD2 4.13Å
199	N	91.8	Very high	89.8	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-40.4	172.7	178.2	39.5	0	0	0	112	T142 P148 V149 V195 Y196 L201 M202 H203	T142-N199 HydrophobicContact CG2-CB 4.22Å; P148-N199 WeakPolarHBondContact CA-OD1 3.36Å; V149-N199 WeakPolarHBondContact CB-ND2 3.42Å; V149-N199 HydrophobicContact CG2-CB 4.39Å; V149-N199 PolarHBondContact N-ND2 3.08Å; V149-N199 PolarHBondContact O-ND2 3.42Å; V195-N199 WeakPolarHBondContact O-CB 3.46Å; V195-N199 PolarHBondContact O-N 3.3Å; Y196-N199 WeakPolarHBondContact O-CB 3.37Å; Y196-N199 PolarHBondContact O-N 3.24Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 3.49Å; N199-M202 PolarHBondContact O-N 3.19Å; N199-H203 PolarHBondContact O-N 3.4Å; N199-H203 VanDerWaalsContact O-N 3.14Å; N199-H203 PolarHBondContact O-ND1 3.46Å; N199-H203 PolarHBondContact OD1-CE1 2.95Å; N199-H203 VanDerWaalsContact OD1-CE1 3.25Å; N199-H203 PolarHBondContact OD1-ND1 3.15Å
200	L	89.9	Confident	89.3	Confident	35 Å²	35	34.2 Å²	34.2	18%	0.183	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-43	174.3	-170.2	72.9	0	0	0	110.7	Y196 D197 M202 H203 K204 L205	Y196-L200 WeakPolarHBondContact O-CB 3.32Å; Y196-L200 PolarHBondContact O-N 2.91Å; D197-L200 PolarHBondContact O-N 2.99Å; L200-M202 VanDerWaalsContact C-N 3.29Å; L200-M202 PolarHBondContact O-N 2.81Å; L200-H203 PolarHBondContact O-N 2.88Å; L200-K204 HydrophobicContact CD1-CB 3.64Å; L200-K204 HydrophobicContact CD1-CD 3.68Å; L200-K204 HydrophobicContact CD1-CG 3.93Å; L200-K204 HydrophobicContact CG-CB 4.36Å; L200-K204 PolarHBondContact O-N 3.4Å; L200-L205 HydrophobicContact CB-CD1 4.14Å; L200-L205 HydrophobicContact CD2-CD1 3.85Å; L200-L205 HydrophobicContact CD2-CG 4.33Å; L200-L205 HydrophobicContact CG-CD1 3.7Å; L200-L205 HydrophobicContact CG-CG 4.1Å; L200-L205 PolarHBondContact O-N 3.42Å; L200-L205 VanDerWaalsContact O-N 3.07Å
201	L	90.9	Very high	88.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-40.2	178.3	174.3	67.7	0	0	0	111.8	F34 L35 V38 D197 L198 N199 L205 A213 L217	F34-L201 HydrophobicContact CD1-CD1 4Å; F34-L201 HydrophobicContact CE1-CD1 3.19Å; F34-L201 HydrophobicContact CE1-CG 4.2Å; F34-L201 HydrophobicContact CZ-CD1 3.5Å; F34-L201 VanDerWaalsContact CZ-CD1 3.5Å; L35-L201 HydrophobicContact CD1-CD2 3.56Å; L35-L201 HydrophobicContact CD1-CG 4.14Å; V38-L201 HydrophobicContact CB-CD1 4.11Å; V38-L201 HydrophobicContact CB-CD2 4.05Å; V38-L201 HydrophobicContact CG1-CD1 4.04Å; V38-L201 HydrophobicContact CG1-CD2 3.64Å; V38-L201 HydrophobicContact CG2-CD1 3.77Å; D197-L201 VanDerWaalsContact O-CB 3.27Å; D197-L201 WeakPolarHBondContact O-CB 3.37Å; D197-L201 PolarHBondContact O-N 3.14Å; L198-L201 HydrophobicContact CD1-CD2 3.95Å; L198-L201 WeakPolarHBondContact O-CB 3.43Å; L198-L201 PolarHBondContact O-N 3.11Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 3.49Å; L201-L205 HydrophobicContact CB-CD1 4.21Å; L201-A213 HydrophobicContact CD1-CB 3.77Å; L201-L217 HydrophobicContact CD2-CD1 3.92Å
202	M	86.5	Confident	88.4	Confident	26 Å²	26	34 Å²	34	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-77.6	-33.6	-178.8	-70.2	-174.1	-64	0	0	114.1	T142 L143 L198 N199 L200	T142-M202 HydrophobicContact CG2-CE 3.72Å; T142-M202 WeakPolarHBondContact O-CE 3.47Å; L143-M202 HydrophobicContact CD2-CG 4.46Å; L143-M202 HydrophobicContact CD2-SD 3.6Å; L198-M202 WeakPolarHBondContact O-CG 3.43Å; L198-M202 PolarHBondContact O-N 3.27Å; L198-M202 VanDerWaalsContact O-N 3.15Å; N199-M202 PolarHBondContact O-N 3.19Å; L200-M202 VanDerWaalsContact C-N 3.29Å; L200-M202 PolarHBondContact O-N 2.81Å
203	H	83.9	Confident	88.3	Confident	38 Å²	38	30.8 Å²	30.8	18%	0.176	15%	0.154	C	C	.	.	H	α-helix	trans	-116	-21.7	-164.4	-60.5	98.2	0	0	0	115.4	H24 N199 L200	H24-H203 VanDerWaalsContact CB-O 3.29Å; H24-H203 WeakPolarHBondContact CB-O 3.45Å; H24-H203 AromaticContact CD2-CD2 3.64Å; N199-H203 PolarHBondContact O-N 3.4Å; N199-H203 VanDerWaalsContact O-N 3.14Å; N199-H203 PolarHBondContact O-ND1 3.46Å; N199-H203 PolarHBondContact OD1-CE1 2.95Å; N199-H203 VanDerWaalsContact OD1-CE1 3.25Å; N199-H203 PolarHBondContact OD1-ND1 3.15Å; L200-H203 PolarHBondContact O-N 2.88Å
204	K	80.8	Confident	88.2	Confident	130 Å²	130	29.5 Å²	29.5	57%	0.565	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-34.6	-170.1	-54.7	-160.1	-171.3	176.3	0	114.7	S22 L200	S22-K204 WeakPolarHBondContact CB-O 3.38Å; L200-K204 HydrophobicContact CD1-CB 3.64Å; L200-K204 HydrophobicContact CD1-CD 3.68Å; L200-K204 HydrophobicContact CD1-CG 3.93Å; L200-K204 HydrophobicContact CG-CB 4.36Å; L200-K204 PolarHBondContact O-N 3.4Å
205	L	82.3	Confident	88.1	Confident	15 Å²	15	29.9 Å²	29.9	8%	0.079	15%	0.151	C	C	.	.			trans	-68	144.1	-176.5	-83.7	145.3	0	0	0	111.8	V23 F34 L200 L201 E209 A213	V23-L205 WeakPolarHBondContact CB-O 3.34Å; V23-L205 VanDerWaalsContact CG2-O 3.26Å; V23-L205 WeakPolarHBondContact CG2-O 3.41Å; V23-L205 PolarHBondContact N-O 2.94Å; F34-L205 HydrophobicContact CE1-CB 4.35Å; F34-L205 HydrophobicContact CZ-CB 4.21Å; L200-L205 HydrophobicContact CB-CD1 4.14Å; L200-L205 HydrophobicContact CD2-CD1 3.85Å; L200-L205 HydrophobicContact CD2-CG 4.33Å; L200-L205 HydrophobicContact CG-CD1 3.7Å; L200-L205 HydrophobicContact CG-CG 4.1Å; L200-L205 PolarHBondContact O-N 3.42Å; L200-L205 VanDerWaalsContact O-N 3.07Å; L201-L205 HydrophobicContact CB-CD1 4.21Å; L205-E209 HydrophobicContact CD2-CB 3.43Å; L205-E209 VanDerWaalsContact CD2-CB 3.43Å; L205-E209 HydrophobicContact CD2-CG 4.24Å; L205-A213 HydrophobicContact CD1-CB 3.87Å; L205-A213 HydrophobicContact CD2-CB 4.44Å
206	S	80.4	Confident	88	Confident	8 Å²	8	32 Å²	32	6%	0.056	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-81.9	159.3	171.7	68.3	0	0	0	0	111.2	K21 F34 E208 E209	K21-S206 WeakPolarHBondContact O-CA 3.39Å; K21-S206 VanDerWaalsContact O-CB 3.32Å; K21-S206 WeakPolarHBondContact O-CB 3.4Å; F34-S206 WeakPolarHBondContact CE2-O 3.1Å; F34-S206 VanDerWaalsContact CZ-O 3.32Å; F34-S206 WeakPolarHBondContact CZ-O 3.34Å; S206-E208 PolarHBondContact O-N 3.23Å; S206-E209 WeakPolarHBondContact CB-OE2 3.39Å; S206-E209 PolarHBondContact N-OE2 3.06Å; S206-E209 PolarHBondContact O-N 3.34Å; S206-E209 WeakPolarHBondContact OG-CG 3.36Å; S206-E209 PolarHBondContact OG-OE2 3.05Å
207	A	76.5	Confident	88.2	Confident	46 Å²	46	29.9 Å²	29.9	38%	0.38	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.4	-176.5	0	0	0	0	0	113.4	V23 F34 Y210	V23-A207 HydrophobicContact CG2-CB 3.86Å; F34-A207 HydrophobicContact CD2-CB 4.29Å; A207-Y210 VanDerWaalsContact O-CD1 3.23Å; A207-Y210 WeakPolarHBondContact O-CD1 3.23Å
208	E	78	Confident	88.3	Confident	126 Å²	126	29.1 Å²	29.1	59%	0.589	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.2	178.6	-60.2	-173.2	171.9	0	0	112.9	S206 Y210	S206-E208 PolarHBondContact O-N 3.23Å; E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 PolarHBondContact O-N 3.42Å
209	E	83.1	Confident	88.4	Confident	41 Å²	41	31 Å²	31	19%	0.192	16%	0.159	C	C	.	.			trans	-92.2	13.4	-174.3	-66.9	174.1	109.3	0	0	113.3	L205 S206 I211 V212 A213	L205-E209 HydrophobicContact CD2-CB 3.43Å; L205-E209 VanDerWaalsContact CD2-CB 3.43Å; L205-E209 HydrophobicContact CD2-CG 4.24Å; S206-E209 WeakPolarHBondContact CB-OE2 3.39Å; S206-E209 PolarHBondContact N-OE2 3.06Å; S206-E209 PolarHBondContact O-N 3.34Å; S206-E209 WeakPolarHBondContact OG-CG 3.36Å; S206-E209 PolarHBondContact OG-OE2 3.05Å; E209-I211 PolarHBondContact O-N 2.93Å; E209-V212 PolarHBondContact O-N 3.07Å; E209-V212 VanDerWaalsContact O-N 3.14Å; E209-A213 PolarHBondContact O-N 3.07Å
210	Y	87.3	Confident	88.7	Confident	26 Å²	26	31 Å²	31	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-51.9	-36	-179.3	58.3	-81.1	0	0	0	112.4	K37 L41 F98 A207 E208 T214	K37-Y210 HydrophobicContact CD-CD2 4.12Å; K37-Y210 HydrophobicContact CD-CE2 4.44Å; K37-Y210 HydrophobicContact CD-CG 4.27Å; K37-Y210 VanDerWaalsContact CE-CE2 3.46Å; K37-Y210 VanDerWaalsContact NZ-CE2 3.32Å; K37-Y210 PolarHBondContact NZ-OH 3.14Å; L41-Y210 HydrophobicContact CD1-CD2 4.05Å; F98-Y210 HydrophobicContact CE1-CE2 4.17Å; F98-Y210 HydrophobicContact CE2-CE2 4.11Å; F98-Y210 AromaticContact CZ-CE2 3.55Å; F98-Y210 HydrophobicContact CZ-CE2 3.55Å; A207-Y210 VanDerWaalsContact O-CD1 3.23Å; A207-Y210 WeakPolarHBondContact O-CD1 3.23Å; E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 PolarHBondContact O-N 3.42Å; Y210-T214 WeakPolarHBondContact O-CB 3.32Å; Y210-T214 PolarHBondContact O-N 3.12Å; Y210-T214 PolarHBondContact O-OG1 3.07Å
211	I	89.1	Confident	89.1	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-48.4	-177.9	-66.5	-172.8	0	0	0	111.8	M87 N97 M101 E209 A213 T214 I215	M87-I211 HydrophobicContact CE-CB 4.49Å; M87-I211 HydrophobicContact CE-CG2 2.98Å; M87-I211 HydrophobicContact SD-CG2 3.54Å; M87-I211 VanDerWaalsContact SD-CG2 3.54Å; N97-I211 HydrophobicContact CB-CD1 3.33Å; N97-I211 WeakPolarHBondContact ND2-CD1 3.42Å; M101-I211 HydrophobicContact SD-CG2 4.35Å; E209-I211 PolarHBondContact O-N 2.93Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 3.07Å; I211-T214 PolarHBondContact O-N 3.32Å; I211-I215 PolarHBondContact O-N 3.13Å
212	V	89.2	Confident	89.5	Confident	39 Å²	39	30.3 Å²	30.3	24%	0.236	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-42	178.9	178	0	0	0	0	109.6	E209 T214 I215 N216	E209-V212 PolarHBondContact O-N 3.07Å; E209-V212 VanDerWaalsContact O-N 3.14Å; V212-T214 VanDerWaalsContact C-N 3.33Å; V212-T214 PolarHBondContact O-N 3Å; V212-I215 PolarHBondContact O-N 3.02Å; V212-N216 PolarHBondContact O-N 2.72Å; V212-N216 PolarHBondContact O-OD1 2.99Å
213	A	92.7	Very high	90	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-40.4	175.8	0	0	0	0	0	112.5	V38 L201 L205 E209 I211 L217	V38-A213 HydrophobicContact CG1-CB 4.41Å; L201-A213 HydrophobicContact CD1-CB 3.77Å; L205-A213 HydrophobicContact CD1-CB 3.87Å; L205-A213 HydrophobicContact CD2-CB 4.44Å; E209-A213 PolarHBondContact O-N 3.07Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 3.07Å; A213-L217 WeakPolarHBondContact O-CG 3.41Å; A213-L217 PolarHBondContact O-N 3.11Å; A213-L217 VanDerWaalsContact O-N 3.15Å
214	T	95	Very high	90.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-44.3	176.1	-50.3	0	0	0	0	110.6	L41 L42 Y210 I211 V212 Y218	L41-T214 HydrophobicContact CB-CG2 3.71Å; L42-T214 HydrophobicContact CB-CG2 4.16Å; Y210-T214 WeakPolarHBondContact O-CB 3.32Å; Y210-T214 PolarHBondContact O-N 3.12Å; Y210-T214 PolarHBondContact O-OG1 3.07Å; I211-T214 PolarHBondContact O-N 3.32Å; V212-T214 VanDerWaalsContact C-N 3.33Å; V212-T214 PolarHBondContact O-N 3Å; T214-Y218 WeakPolarHBondContact O-CB 3.35Å; T214-Y218 PolarHBondContact O-N 3.05Å
215	I	93.8	Very high	91.5	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-46.9	177.5	-79.8	-153.6	0	0	0	112.4	L84 M87 W104 I211 V212 Y218 L219	L84-I215 HydrophobicContact CD2-CD1 4.29Å; L84-I215 HydrophobicContact CD2-CG2 4.38Å; M87-I215 HydrophobicContact CE-CD1 3.07Å; M87-I215 HydrophobicContact CE-CG1 3.74Å; M87-I215 HydrophobicContact SD-CD1 3.55Å; M87-I215 VanDerWaalsContact SD-CD1 3.55Å; M87-I215 HydrophobicContact SD-CG1 4.42Å; W104-I215 HydrophobicContact CD2-CD1 3.84Å; W104-I215 HydrophobicContact CE3-CD1 3.62Å; W104-I215 HydrophobicContact CE3-CG1 3.96Å; W104-I215 HydrophobicContact CH2-CB 4.1Å; W104-I215 HydrophobicContact CH2-CD1 3.99Å; W104-I215 HydrophobicContact CH2-CG1 3.95Å; W104-I215 HydrophobicContact CH2-CG2 3.65Å; W104-I215 HydrophobicContact CZ2-CD1 4.25Å; W104-I215 HydrophobicContact CZ2-CG2 3.97Å; W104-I215 HydrophobicContact CZ3-CB 4.21Å; W104-I215 HydrophobicContact CZ3-CD1 3.71Å; W104-I215 HydrophobicContact CZ3-CG1 3.6Å; W104-I215 HydrophobicContact CZ3-CG2 4.23Å; I211-I215 PolarHBondContact O-N 3.13Å; V212-I215 PolarHBondContact O-N 3.02Å; I215-Y218 PolarHBondContact O-N 2.82Å; I215-L219 HydrophobicContact CG2-CD1 4.07Å; I215-L219 PolarHBondContact O-N 3.22Å
216	N	94.7	Very high	92.2	Very high	55 Å²	55	24.3 Å²	24.3	29%	0.294	13%	0.131	S	C	.	.	H	α-helix	trans	-62.1	-53	-178.4	-70.2	-3.5	0	0	0	110.1	V212 Y218 L219 D220	V212-N216 PolarHBondContact O-N 2.72Å; V212-N216 PolarHBondContact O-OD1 2.99Å; N216-Y218 VanDerWaalsContact C-N 3.27Å; N216-Y218 PolarHBondContact O-N 3.1Å; N216-L219 PolarHBondContact O-N 3.34Å; N216-D220 PolarHBondContact O-N 3.27Å; N216-D220 VanDerWaalsContact O-OD2 3.1Å
217	L	97.2	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.9	-39.4	177.2	-74.7	173.9	0	0	0	112.6	V38 L42 D197 L198 L201 A213 D220 I221	V38-L217 HydrophobicContact CG1-CD1 4.16Å; L42-L217 HydrophobicContact CD1-CB 4.3Å; L42-L217 HydrophobicContact CD2-CB 4.01Å; L42-L217 HydrophobicContact CD2-CD1 4.4Å; D197-L217 HydrophobicContact CB-CD2 3.87Å; D197-L217 HydrophobicContact CB-CG 4.28Å; L198-L217 HydrophobicContact CB-CD2 4.13Å; L201-L217 HydrophobicContact CD2-CD1 3.92Å; A213-L217 WeakPolarHBondContact O-CG 3.41Å; A213-L217 PolarHBondContact O-N 3.11Å; A213-L217 VanDerWaalsContact O-N 3.15Å; L217-D220 PolarHBondContact O-N 3.21Å; L217-I221 WeakPolarHBondContact O-CD1 3.39Å; L217-I221 VanDerWaalsContact O-CG1 3.23Å; L217-I221 WeakPolarHBondContact O-CG1 3.29Å; L217-I221 PolarHBondContact O-N 2.72Å; L217-I221 VanDerWaalsContact O-N 3.12Å
218	Y	97.9	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-46.4	175.8	172.8	-91.4	0	0	0	111.8	L42 Q45 L46 T49 W104 T105 Q108 T214 I215 N216 I221 L222	L42-Y218 HydrophobicContact CD1-CD2 4.41Å; Q45-Y218 HydrophobicContact CB-CD2 3.52Å; Q45-Y218 HydrophobicContact CB-CE2 3.71Å; Q45-Y218 HydrophobicContact CB-CG 4.45Å; Q45-Y218 HydrophobicContact CG-CD2 4.42Å; L46-Y218 HydrophobicContact CD2-CD2 4Å; L46-Y218 HydrophobicContact CD2-CE2 4.22Å; L46-Y218 HydrophobicContact CG-CD2 4.49Å; T49-Y218 PolarHBondContact OG1-OH 3.27Å; W104-Y218 AromaticContact CH2-CD1 3.5Å; W104-Y218 HydrophobicContact CH2-CD1 3.5Å; W104-Y218 VanDerWaalsContact CH2-CD1 3.5Å; W104-Y218 AromaticContact CH2-CE1 3.98Å; W104-Y218 HydrophobicContact CH2-CE1 3.98Å; W104-Y218 AromaticContact CZ3-CD1 3.5Å; W104-Y218 HydrophobicContact CZ3-CD1 3.5Å; W104-Y218 AromaticContact CZ3-CE1 3.89Å; W104-Y218 HydrophobicContact CZ3-CE1 3.89Å; W104-Y218 HydrophobicContact CZ3-CG 4.31Å; T105-Y218 HydrophobicContact CG2-CE2 4.38Å; Q108-Y218 HydrophobicContact CB-CE1 3.73Å; Q108-Y218 WeakPolarHBondContact CB-OH 3.49Å; Q108-Y218 HydrophobicContact CG-CE1 4.03Å; T214-Y218 WeakPolarHBondContact O-CB 3.35Å; T214-Y218 PolarHBondContact O-N 3.05Å; I215-Y218 PolarHBondContact O-N 2.82Å; N216-Y218 VanDerWaalsContact C-N 3.27Å; N216-Y218 PolarHBondContact O-N 3.1Å; Y218-I221 PolarHBondContact O-N 3.15Å; Y218-L222 HydrophobicContact CE1-CD1 3.55Å; Y218-L222 HydrophobicContact CE2-CD1 4.49Å; Y218-L222 WeakPolarHBondContact O-CB 3.41Å; Y218-L222 PolarHBondContact O-N 3.09Å; Y218-L222 VanDerWaalsContact OH-CD1 3.29Å; Y218-L222 WeakPolarHBondContact OH-CD1 3.26Å
219	L	96.5	Very high	95	Very high	39 Å²	39	17.1 Å²	17.1	20%	0.204	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-42.8	177.3	-80.8	171.2	0	0	0	111.7	W104 I215 N216 I221 L222 N223	W104-L219 HydrophobicContact CH2-CD1 4.17Å; W104-L219 HydrophobicContact CH2-CD2 4.01Å; W104-L219 HydrophobicContact CH2-CG 3.72Å; W104-L219 HydrophobicContact CZ2-CD1 3.9Å; W104-L219 HydrophobicContact CZ2-CD2 3.75Å; W104-L219 HydrophobicContact CZ2-CG 3.76Å; I215-L219 HydrophobicContact CG2-CD1 4.07Å; I215-L219 PolarHBondContact O-N 3.22Å; N216-L219 PolarHBondContact O-N 3.34Å; L219-I221 VanDerWaalsContact C-N 3.32Å; L219-I221 PolarHBondContact O-N 3.44Å; L219-L222 PolarHBondContact O-N 3.09Å; L219-N223 VanDerWaalsContact O-CB 3.26Å; L219-N223 WeakPolarHBondContact O-CB 3.39Å; L219-N223 VanDerWaalsContact O-CG 3.26Å; L219-N223 PolarHBondContact O-N 2.93Å; L219-N223 PolarHBondContact O-ND2 2.75Å
220	D	97.8	Very high	95.6	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-41.2	-178.9	-56.5	-38.2	0	0	0	111.2	F193 I194 N216 L217 L224	F193-D220 HydrophobicContact CB-CB 4.11Å; F193-D220 VanDerWaalsContact CB-CG 3.45Å; F193-D220 WeakPolarHBondContact CB-OD1 3.49Å; I194-D220 HydrophobicContact CG1-CB 3.61Å; N216-D220 PolarHBondContact O-N 3.27Å; N216-D220 VanDerWaalsContact O-OD2 3.1Å; L217-D220 PolarHBondContact O-N 3.21Å; D220-L224 VanDerWaalsContact O-CB 3.23Å; D220-L224 WeakPolarHBondContact O-CB 3.5Å; D220-L224 PolarHBondContact O-N 3.24Å
221	I	98.4	Very high	96.1	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.041	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-43.8	177.1	-67.4	168.8	0	0	0	111.3	L42 L46 V135 F139 I194 L217 Y218 L219 L224 F225	L42-I221 HydrophobicContact CD1-CD1 4.23Å; L42-I221 HydrophobicContact CD2-CD1 3.88Å; L42-I221 HydrophobicContact CG-CD1 4.39Å; L46-I221 HydrophobicContact CD1-CD1 3.94Å; L46-I221 HydrophobicContact CD1-CG2 4.16Å; L46-I221 HydrophobicContact CD2-CB 4.22Å; L46-I221 HydrophobicContact CD2-CG2 3.59Å; V135-I221 HydrophobicContact CG1-CD1 3.73Å; V135-I221 HydrophobicContact CG1-CG1 4.11Å; V135-I221 HydrophobicContact CG2-CB 4.36Å; V135-I221 HydrophobicContact CG2-CD1 4.34Å; V135-I221 HydrophobicContact CG2-CG1 3.85Å; V135-I221 HydrophobicContact CG2-CG2 3.83Å; F139-I221 HydrophobicContact CE1-CD1 4.21Å; F139-I221 HydrophobicContact CZ-CD1 3.9Å; I194-I221 HydrophobicContact CD1-CG1 3.75Å; I194-I221 HydrophobicContact CG1-CG1 4.07Å; L217-I221 WeakPolarHBondContact O-CD1 3.39Å; L217-I221 VanDerWaalsContact O-CG1 3.23Å; L217-I221 WeakPolarHBondContact O-CG1 3.29Å; L217-I221 PolarHBondContact O-N 2.72Å; L217-I221 VanDerWaalsContact O-N 3.12Å; Y218-I221 PolarHBondContact O-N 3.15Å; L219-I221 VanDerWaalsContact C-N 3.32Å; L219-I221 PolarHBondContact O-N 3.44Å; I221-L224 WeakPolarHBondContact O-CB 3.35Å; I221-L224 PolarHBondContact O-N 3.42Å; I221-F225 PolarHBondContact O-N 3.41Å
222	L	97.8	Very high	96.4	Very high	13 Å²	13	19.3 Å²	19.3	7%	0.068	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-42.8	178.7	-169.8	159.6	0	0	0	111	Q108 T112 Y218 L219 F225 V226	Q108-L222 HydrophobicContact CB-CD1 4.11Å; T112-L222 WeakPolarHBondContact OG1-CD1 3.48Å; T112-L222 WeakPolarHBondContact OG1-CD2 3.32Å; Y218-L222 HydrophobicContact CE1-CD1 3.55Å; Y218-L222 HydrophobicContact CE2-CD1 4.49Å; Y218-L222 WeakPolarHBondContact O-CB 3.41Å; Y218-L222 PolarHBondContact O-N 3.09Å; Y218-L222 VanDerWaalsContact OH-CD1 3.29Å; Y218-L222 WeakPolarHBondContact OH-CD1 3.26Å; L219-L222 PolarHBondContact O-N 3.09Å; L222-F225 WeakPolarHBondContact O-CB 3.34Å; L222-F225 PolarHBondContact O-N 2.89Å; L222-V226 HydrophobicContact CD2-CG2 4.1Å; L222-V226 WeakPolarHBondContact O-CG2 3.31Å; L222-V226 PolarHBondContact O-N 2.77Å
223	N	97.7	Very high	96.7	Very high	51 Å²	51	19.7 Å²	19.7	27%	0.273	10%	0.099	S	C	.	.	H	α-helix	trans	-70.3	-33.5	177.2	-72.8	-45.8	0	0	0	112.5	F190 L219 V226 S227	F190-N223 HydrophobicContact CD1-CB 3.56Å; F190-N223 HydrophobicContact CD2-CB 3.49Å; F190-N223 VanDerWaalsContact CD2-CB 3.49Å; F190-N223 HydrophobicContact CE1-CB 3.48Å; F190-N223 VanDerWaalsContact CE1-CB 3.48Å; F190-N223 WeakPolarHBondContact CE1-ND2 3.31Å; F190-N223 HydrophobicContact CE2-CB 3.45Å; F190-N223 VanDerWaalsContact CE2-CB 3.45Å; F190-N223 HydrophobicContact CG-CB 3.57Å; F190-N223 HydrophobicContact CZ-CB 3.44Å; F190-N223 VanDerWaalsContact CZ-CB 3.44Å; L219-N223 VanDerWaalsContact O-CB 3.26Å; L219-N223 WeakPolarHBondContact O-CB 3.39Å; L219-N223 VanDerWaalsContact O-CG 3.26Å; L219-N223 PolarHBondContact O-N 2.93Å; L219-N223 PolarHBondContact O-ND2 2.75Å; N223-V226 PolarHBondContact O-N 3.46Å; N223-S227 VanDerWaalsContact O-CB 3.3Å; N223-S227 WeakPolarHBondContact O-CB 3.38Å; N223-S227 PolarHBondContact O-N 3.41Å; N223-S227 PolarHBondContact O-OG 3.41Å
224	L	98.6	Very high	96.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-47	168.9	175.9	59.7	0	0	0	110.5	T131 A134 V135 A187 F190 I194 D220 I221 S227 L228	T131-L224 HydrophobicContact CG2-CD2 4.42Å; T131-L224 HydrophobicContact CG2-CG 4.34Å; A134-L224 HydrophobicContact CB-CD2 4.35Å; V135-L224 HydrophobicContact CG2-CD2 4.17Å; A187-L224 HydrophobicContact CB-CD1 3.96Å; A187-L224 WeakPolarHBondContact O-CD1 3.32Å; F190-L224 HydrophobicContact CB-CB 4.02Å; I194-L224 HydrophobicContact CD1-CD2 3.69Å; D220-L224 VanDerWaalsContact O-CB 3.23Å; D220-L224 WeakPolarHBondContact O-CB 3.5Å; D220-L224 PolarHBondContact O-N 3.24Å; I221-L224 WeakPolarHBondContact O-CB 3.35Å; I221-L224 PolarHBondContact O-N 3.42Å; L224-S227 PolarHBondContact O-N 3.01Å; L224-L228 HydrophobicContact CD1-CD1 3.87Å; L224-L228 HydrophobicContact CD1-CG 3.98Å; L224-L228 HydrophobicContact CG-CD1 3.94Å; L224-L228 HydrophobicContact CG-CG 4.44Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 WeakPolarHBondContact O-CG 3.45Å; L224-L228 PolarHBondContact O-N 2.86Å
225	F	98.3	Very high	96.6	Very high	18 Å²	18	25.9 Å²	25.9	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-52.3	175.7	174.2	-109	0	0	0	111.7	T112 V116 T127 F128 T131 I221 L222 S227 L228 L229	T112-F225 HydrophobicContact CG2-CD1 4.1Å; T112-F225 HydrophobicContact CG2-CE1 3.97Å; V116-F225 HydrophobicContact CG2-CE1 3.61Å; V116-F225 HydrophobicContact CG2-CZ 3.95Å; T127-F225 HydrophobicContact CG2-CD2 3.7Å; T127-F225 HydrophobicContact CG2-CE2 3.67Å; F128-F225 HydrophobicContact CB-CE2 4.17Å; T131-F225 HydrophobicContact CG2-CB 3.99Å; I221-F225 PolarHBondContact O-N 3.41Å; L222-F225 WeakPolarHBondContact O-CB 3.34Å; L222-F225 PolarHBondContact O-N 2.89Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 3.15Å; F225-L228 PolarHBondContact O-N 3.4Å; F225-L229 HydrophobicContact CZ-CD1 4.45Å; F225-L229 WeakPolarHBondContact O-CB 3.38Å; F225-L229 PolarHBondContact O-N 3.21Å
226	V	97.2	Very high	96.4	Very high	12 Å²	12	28.8 Å²	28.8	7%	0.073	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-37.5	179.4	172.9	0	0	0	0	111.6	I115 L222 N223 L229 R230	I115-V226 HydrophobicContact CD1-CG1 4.39Å; I115-V226 HydrophobicContact CD1-CG2 4.05Å; L222-V226 HydrophobicContact CD2-CG2 4.1Å; L222-V226 WeakPolarHBondContact O-CG2 3.31Å; L222-V226 PolarHBondContact O-N 2.77Å; N223-V226 PolarHBondContact O-N 3.46Å; V226-L229 WeakPolarHBondContact O-CB 3.22Å; V226-L229 PolarHBondContact O-N 3.45Å; V226-R230 WeakPolarHBondContact O-CG 3.24Å; V226-R230 PolarHBondContact O-N 3.48Å; V226-R230 VanDerWaalsContact O-N 3.16Å
227	S	98.2	Very high	95.9	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-44	177	-58.6	0	0	0	0	111.8	N223 L224 F225 L229 R230 I231	N223-S227 VanDerWaalsContact O-CB 3.3Å; N223-S227 WeakPolarHBondContact O-CB 3.38Å; N223-S227 PolarHBondContact O-N 3.41Å; N223-S227 PolarHBondContact O-OG 3.41Å; L224-S227 PolarHBondContact O-N 3.01Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 3.15Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact O-N 3.3Å; S227-R230 PolarHBondContact O-N 2.8Å; S227-I231 WeakPolarHBondContact O-CG1 3.45Å; S227-I231 PolarHBondContact O-N 2.99Å
228	L	98.1	Very high	94.9	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.105	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-33.1	174.6	-69.7	173.2	0	0	0	111.9	T127 L130 T131 A187 L224 F225 I231 M232	T127-L228 HydrophobicContact CG2-CB 3.74Å; L130-L228 HydrophobicContact CD2-CD1 4.36Å; L130-L228 HydrophobicContact CD2-CD2 4Å; L130-L228 HydrophobicContact CG-CD1 4.22Å; T131-L228 WeakPolarHBondContact OG1-CD1 3.35Å; A187-L228 HydrophobicContact CB-CD2 3.96Å; A187-L228 HydrophobicContact CB-CG 4.32Å; L224-L228 HydrophobicContact CD1-CD1 3.87Å; L224-L228 HydrophobicContact CD1-CG 3.98Å; L224-L228 HydrophobicContact CG-CD1 3.94Å; L224-L228 HydrophobicContact CG-CG 4.44Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 WeakPolarHBondContact O-CG 3.45Å; L224-L228 PolarHBondContact O-N 2.86Å; F225-L228 PolarHBondContact O-N 3.4Å; L228-I231 HydrophobicContact CD2-CD1 4.1Å; L228-I231 PolarHBondContact O-N 3.4Å; L228-M232 WeakPolarHBondContact O-CB 2.99Å; L228-M232 VanDerWaalsContact O-CG 3.27Å; L228-M232 WeakPolarHBondContact O-CG 3.28Å; L228-M232 PolarHBondContact O-N 2.82Å
229	L	97	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176.5	-165.5	70.1	0	0	0	111.1	I115 V116 Y119 V123 V124 T127 F225 V226 S227 M232 Q233	I115-L229 HydrophobicContact CG2-CD2 4.07Å; V116-L229 HydrophobicContact CG2-CD2 4.36Å; Y119-L229 HydrophobicContact CD1-CD1 4.18Å; Y119-L229 HydrophobicContact CD1-CD2 4.01Å; Y119-L229 HydrophobicContact CD1-CG 3.63Å; Y119-L229 HydrophobicContact CD2-CD2 3.46Å; Y119-L229 VanDerWaalsContact CD2-CD2 3.46Å; Y119-L229 HydrophobicContact CD2-CG 4.04Å; Y119-L229 HydrophobicContact CE1-CB 4.47Å; Y119-L229 HydrophobicContact CE1-CD2 4.09Å; Y119-L229 HydrophobicContact CE1-CG 3.7Å; Y119-L229 HydrophobicContact CE2-CD2 3.57Å; Y119-L229 HydrophobicContact CE2-CG 4.15Å; Y119-L229 HydrophobicContact CG-CD1 4.23Å; Y119-L229 HydrophobicContact CG-CD2 3.69Å; Y119-L229 HydrophobicContact CG-CG 3.79Å; V123-L229 HydrophobicContact CG1-CD1 4.06Å; V124-L229 HydrophobicContact CB-CD1 4.46Å; V124-L229 HydrophobicContact CG2-CD1 4.06Å; T127-L229 HydrophobicContact CG2-CB 3.95Å; T127-L229 HydrophobicContact CG2-CD1 4.04Å; F225-L229 HydrophobicContact CZ-CD1 4.45Å; F225-L229 WeakPolarHBondContact O-CB 3.38Å; F225-L229 PolarHBondContact O-N 3.21Å; V226-L229 WeakPolarHBondContact O-CB 3.22Å; V226-L229 PolarHBondContact O-N 3.45Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact O-N 3.3Å; L229-M232 PolarHBondContact O-N 3Å; L229-Q233 WeakPolarHBondContact O-CB 3.29Å; L229-Q233 PolarHBondContact O-N 2.89Å
230	R	95.3	Very high	93.1	Very high	57 Å²	57	44.3 Å²	44.3	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-45.5	175.1	-67.7	172.4	-172.4	-160.7	7.9	112.1	Y119 N167 E179 V226 S227 Q234	Y119-R230 WeakPolarHBondContact OH-CG 3.27Å; N167-R230 PolarHBondContact OD1-NH1 3.38Å; N167-R230 PolarHBondContact OD1-NH2 2.84Å; E179-R230 VanDerWaalsContact OE1-CD 3.32Å; E179-R230 WeakPolarHBondContact OE1-CD 3.27Å; E179-R230 IonicContact OE1-NE 3.69Å; E179-R230 IonicContact OE1-NH1 3.07Å; V226-R230 WeakPolarHBondContact O-CG 3.24Å; V226-R230 PolarHBondContact O-N 3.48Å; V226-R230 VanDerWaalsContact O-N 3.16Å; S227-R230 PolarHBondContact O-N 2.8Å; R230-Q234 WeakPolarHBondContact O-CB 3.29Å; R230-Q234 PolarHBondContact O-N 2.93Å; R230-Q234 VanDerWaalsContact O-N 3.11Å
231	I	97.1	Very high	92.8	Very high	16 Å²	16	46.1 Å²	46.1	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-51.9	177.4	-64.4	159.8	0	0	0	110.2	L180 G183 L184 A187 S227 L228 Q233 Q234 L235	L180-I231 HydrophobicContact CD1-CG2 4.16Å; G183-I231 WeakPolarHBondContact O-CD1 3.45Å; L184-I231 HydrophobicContact CD2-CD1 3.89Å; L184-I231 HydrophobicContact CD2-CG1 4.24Å; L184-I231 HydrophobicContact CD2-CG2 4.48Å; L184-I231 HydrophobicContact CG-CD1 4.29Å; L184-I231 HydrophobicContact CG-CG1 4.28Å; A187-I231 HydrophobicContact CB-CD1 3.87Å; S227-I231 WeakPolarHBondContact O-CG1 3.45Å; S227-I231 PolarHBondContact O-N 2.99Å; L228-I231 HydrophobicContact CD2-CD1 4.1Å; L228-I231 PolarHBondContact O-N 3.4Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 PolarHBondContact O-N 3.38Å; I231-Q234 PolarHBondContact O-N 3.32Å; I231-L235 HydrophobicContact CG2-CD1 3.8Å; I231-L235 HydrophobicContact CG2-CG 4.23Å; I231-L235 WeakPolarHBondContact O-CG 3.37Å; I231-L235 PolarHBondContact O-N 2.78Å
232	M	96.3	Very high	92.5	Very high	41 Å²	41	48.2 Å²	48.2	20%	0.202	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-39.2	-175.9	-70.8	-61.7	-65.5	0	0	112.3	V123 E126 T127 L130 L228 L229 L235 R236	V123-M232 HydrophobicContact CG1-CB 3.78Å; E126-M232 HydrophobicContact CB-CE 3.89Å; T127-M232 WeakPolarHBondContact OG1-CB 3.17Å; T127-M232 VanDerWaalsContact OG1-CG 3.28Å; T127-M232 WeakPolarHBondContact OG1-CG 3.35Å; L130-M232 HydrophobicContact CD2-SD 4.36Å; L228-M232 WeakPolarHBondContact O-CB 2.99Å; L228-M232 VanDerWaalsContact O-CG 3.27Å; L228-M232 WeakPolarHBondContact O-CG 3.28Å; L228-M232 PolarHBondContact O-N 2.82Å; L229-M232 PolarHBondContact O-N 3Å; M232-L235 PolarHBondContact O-N 3.2Å; M232-R236 PolarHBondContact O-N 2.89Å
233	Q	95.2	Very high	92.2	Very high	48 Å²	48	50.2 Å²	50.2	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-45.2	174.3	-178.5	61.6	43.9	0	0	112.1	Y119 V123 L229 I231 R236 S237	Y119-Q233 HydrophobicContact CD1-CB 3.64Å; Y119-Q233 HydrophobicContact CD1-CG 3.84Å; Y119-Q233 HydrophobicContact CE1-CB 3.47Å; Y119-Q233 VanDerWaalsContact CE1-CB 3.47Å; Y119-Q233 HydrophobicContact CE1-CG 3.77Å; V123-Q233 HydrophobicContact CG1-CB 4.16Å; L229-Q233 WeakPolarHBondContact O-CB 3.29Å; L229-Q233 PolarHBondContact O-N 2.89Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 PolarHBondContact O-N 3.38Å; Q233-R236 PolarHBondContact O-N 2.68Å; Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 3.28Å; Q233-S237 PolarHBondContact O-OG 2.76Å
234	Q	93.1	Very high	91.8	Very high	40 Å²	40	50.2 Å²	50.2	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-31.9	-177.4	-172.2	53.7	38.1	0	0	112.5	L180 R230 I231 S237 S238	L180-Q234 HydrophobicContact CB-CG 4.01Å; L180-Q234 HydrophobicContact CD1-CB 4.31Å; L180-Q234 HydrophobicContact CD1-CG 4.33Å; R230-Q234 WeakPolarHBondContact O-CB 3.29Å; R230-Q234 PolarHBondContact O-N 2.93Å; R230-Q234 VanDerWaalsContact O-N 3.11Å; I231-Q234 PolarHBondContact O-N 3.32Å; Q234-S237 WeakPolarHBondContact CA-OG 3.38Å; Q234-S237 PolarHBondContact O-OG 3.26Å; Q234-S237 VanDerWaalsContact O-OG 3.12Å; Q234-S237 PolarHBondContact OE1-OG 3.44Å; Q234-S238 PolarHBondContact O-N 3.3Å; Q234-S238 PolarHBondContact O-OG 3.46Å
235	L	92	Very high	91.4	Very high	95 Å²	95	53.4 Å²	53.4	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-68.2	-40.5	172.8	-69.7	177.3	0	0	0	111.6	I231 M232 S238	I231-L235 HydrophobicContact CG2-CD1 3.8Å; I231-L235 HydrophobicContact CG2-CG 4.23Å; I231-L235 WeakPolarHBondContact O-CG 3.37Å; I231-L235 PolarHBondContact O-N 2.78Å; M232-L235 PolarHBondContact O-N 3.2Å; L235-S238 PolarHBondContact O-N 3.4Å
236	R	89.4	Confident	90.9	Very high	68 Å²	68	55.9 Å²	55.9	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-71	-37.8	177.4	179.1	169.8	-95.4	128.5	-1.3	112.5	P122 V123 E126 M232 Q233 S238 Q239	P122-R236 VanDerWaalsContact C-NH1 3.27Å; V123-R236 HydrophobicContact CG2-CB 4.37Å; V123-R236 VanDerWaalsContact CG2-NH1 3.3Å; E126-R236 IonicContact OE1-CZ 3.68Å; E126-R236 IonicContact OE1-NH1 3.61Å; E126-R236 IonicContact OE1-NH2 2.81Å; E126-R236 PolarHBondContact OE1-NH2 2.85Å; E126-R236 IonicContact OE2-CZ 3.45Å; E126-R236 IonicContact OE2-NH1 2.84Å; E126-R236 PolarHBondContact OE2-NH1 3.41Å; E126-R236 IonicContact OE2-NH2 3.31Å; E126-R236 PolarHBondContact OE2-NH2 3.09Å; M232-R236 PolarHBondContact O-N 2.89Å; Q233-R236 PolarHBondContact O-N 2.68Å; R236-S238 PolarHBondContact O-N 3.3Å; R236-Q239 PolarHBondContact O-N 2.85Å
237	S	84.4	Confident	90.4	Very high	64 Å²	64	59.3 Å²	59.3	45%	0.448	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.4	178.2	66.9	0	0	0	0	114.2	Q233 Q234	Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 3.28Å; Q233-S237 PolarHBondContact O-OG 2.76Å; Q234-S237 WeakPolarHBondContact CA-OG 3.38Å; Q234-S237 PolarHBondContact O-OG 3.26Å; Q234-S237 VanDerWaalsContact O-OG 3.12Å; Q234-S237 PolarHBondContact OE1-OG 3.44Å
238	S	76.4	Confident	89.8	Confident	88 Å²	88	63.4 Å²	63.4	62%	0.615	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.8	178.1	-56.1	0	0	0	0	113.6	Q234 L235 R236	Q234-S238 PolarHBondContact O-N 3.3Å; Q234-S238 PolarHBondContact O-OG 3.46Å; L235-S238 PolarHBondContact O-N 3.4Å; R236-S238 PolarHBondContact O-N 3.3Å
239	Q	62.9	Low	89	Confident	224 Å²	224	67.4 Å²	67.4	100%	1.047	34%	0.343	S	S	*	.			trans	-93.5	0	175	-61	-165.5	-65.2	0	0	111.3	R236	R236-Q239 PolarHBondContact O-N 2.85Å

Retrieved 239 of 239 residues in 190.9 ms (Link to these results)

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