A0A077ZB94_TRITR Loading...

Mpv17 PMP22 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB94, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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	51	Low	37.5	Very low	198 Å²	198	129.4 Å²	129.4	98%	0.975	66%	0.664	S	S	*	*				0	-48.4	0	-98.3	169.2	68.8	0	0	114	C3 C4 L5	M1-C3 PolarHBondContact O-N 3.14Å; M1-C4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 2.95Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2	L	37.1	Very low	38.1	Very low	156 Å²	156	128.3 Å²	128.3	82%	0.817	65%	0.654	S	S	*	*	H	α-helix	trans	-57.5	-41.6	-179.3	-82	149.7	0	0	0	114.6	C4 L5 A6	L2-C4 PolarHBondContact O-N 3.48Å; L2-L5 PolarHBondContact O-N 3.07Å; L2-A6 WeakPolarHBondContact O-CB 3.41Å; L2-A6 PolarHBondContact O-N 2.72Å
3	C	33	Very low	38.6	Very low	113 Å²	113	124.2 Å²	124.2	76%	0.764	63%	0.629	S	S	*	*	H	α-helix	trans	-64.5	-38.2	177	-115.4	0	0	0	0	113.3	M1 R7	M1-C3 PolarHBondContact O-N 3.14Å; C3-R7 VanDerWaalsContact O-CB 3.29Å; C3-R7 WeakPolarHBondContact O-CB 3.41Å; C3-R7 PolarHBondContact O-N 3.31Å
4	C	33.7	Very low	39	Very low	96 Å²	96	119.9 Å²	119.9	65%	0.649	61%	0.612	S	S	*	*	H	α-helix	trans	-70.2	-38.6	176.8	-73.8	0	0	0	0	112	M1 L2 R7 F8	M1-C4 PolarHBondContact O-N 3.36Å; L2-C4 PolarHBondContact O-N 3.48Å; C4-R7 PolarHBondContact O-N 2.83Å; C4-F8 VanDerWaalsContact O-CB 3.28Å; C4-F8 WeakPolarHBondContact O-CB 3.42Å; C4-F8 PolarHBondContact O-N 3.16Å
5	L	34.3	Very low	39.4	Very low	100 Å²	100	114.6 Å²	114.6	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-66.9	-40.2	176.5	-78.2	162.9	0	0	0	112.1	M1 L2 K9	M1-L5 PolarHBondContact O-N 2.95Å; M1-L5 VanDerWaalsContact O-N 3.11Å; L2-L5 PolarHBondContact O-N 3.07Å; L5-K9 WeakPolarHBondContact O-CB 3.4Å; L5-K9 WeakPolarHBondContact O-CG 3.21Å; L5-K9 PolarHBondContact O-N 3.43Å
6	A	31.9	Very low	40.2	Very low	50 Å²	50	112.2 Å²	112.2	41%	0.413	59%	0.586	S	S	.	*	H	α-helix	trans	-64.7	-45.9	174.4	0	0	0	0	0	111.3	L2 F8 K9 I10	L2-A6 WeakPolarHBondContact O-CB 3.41Å; L2-A6 PolarHBondContact O-N 2.72Å; A6-F8 VanDerWaalsContact C-N 3.35Å; A6-F8 PolarHBondContact O-N 3.46Å; A6-K9 PolarHBondContact O-N 3.49Å; A6-I10 WeakPolarHBondContact O-CB 3.36Å; A6-I10 WeakPolarHBondContact O-CD1 3.43Å; A6-I10 VanDerWaalsContact O-CG1 3.22Å; A6-I10 WeakPolarHBondContact O-CG1 3.07Å; A6-I10 PolarHBondContact O-N 3.12Å
7	R	34.5	Very low	40.5	Very low	186 Å²	186	106 Å²	106	70%	0.702	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-38.1	178	-162.1	176.2	-172.5	-173.1	2	112.4	C3 C4 L11	C3-R7 VanDerWaalsContact O-CB 3.29Å; C3-R7 WeakPolarHBondContact O-CB 3.41Å; C3-R7 PolarHBondContact O-N 3.31Å; C4-R7 PolarHBondContact O-N 2.83Å; R7-L11 HydrophobicContact CG-CD1 4.09Å; R7-L11 WeakPolarHBondContact O-CB 3.43Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.97Å
8	F	39.4	Very low	41	Very low	148 Å²	148	103.2 Å²	103.2	65%	0.649	54%	0.539	S	S	*	.	H	α-helix	trans	-69.3	-42.2	176.3	-162.2	-93.4	0	0	0	111.8	C4 A6 L11 H12	C4-F8 VanDerWaalsContact O-CB 3.28Å; C4-F8 WeakPolarHBondContact O-CB 3.42Å; C4-F8 PolarHBondContact O-N 3.16Å; A6-F8 VanDerWaalsContact C-N 3.35Å; A6-F8 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 3.32Å; F8-H12 WeakPolarHBondContact O-CB 3.46Å; F8-H12 PolarHBondContact O-N 3.01Å
9	K	38.1	Very low	41.4	Very low	158 Å²	158	99.7 Å²	99.7	69%	0.687	53%	0.53	S	S	*	.	H	α-helix	trans	-63.9	-39.8	174	-77.9	-174.1	175	-169.7	0	112.4	L5 A6 F13	L5-K9 WeakPolarHBondContact O-CB 3.4Å; L5-K9 WeakPolarHBondContact O-CG 3.21Å; L5-K9 PolarHBondContact O-N 3.43Å; A6-K9 PolarHBondContact O-N 3.49Å; K9-F13 WeakPolarHBondContact O-CB 3.43Å; K9-F13 PolarHBondContact O-N 3.26Å
10	I	40.1	Very low	41.9	Very low	109 Å²	109	97.4 Å²	97.4	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-66.9	-48.2	176.4	-69.7	163.6	0	0	0	110.5	A6 H12 F13 V14	A6-I10 WeakPolarHBondContact O-CB 3.36Å; A6-I10 WeakPolarHBondContact O-CD1 3.43Å; A6-I10 VanDerWaalsContact O-CG1 3.22Å; A6-I10 WeakPolarHBondContact O-CG1 3.07Å; A6-I10 PolarHBondContact O-N 3.12Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 2.93Å; I10-F13 PolarHBondContact O-N 3.41Å; I10-V14 HydrophobicContact CG2-CG2 4.29Å; I10-V14 WeakPolarHBondContact O-CB 3.43Å; I10-V14 WeakPolarHBondContact O-CG2 3.35Å; I10-V14 PolarHBondContact O-N 2.96Å
11	L	39.8	Very low	42.2	Very low	109 Å²	109	93.9 Å²	93.9	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-38.3	178.1	-78.8	163.6	0	0	0	112.3	R7 F8 G15	R7-L11 HydrophobicContact CG-CD1 4.09Å; R7-L11 WeakPolarHBondContact O-CB 3.43Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.97Å; F8-L11 PolarHBondContact O-N 3.32Å; L11-G15 PolarHBondContact O-N 3.43Å
12	H	44.5	Very low	42.2	Very low	116 Å²	116	84.4 Å²	84.4	54%	0.537	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-40	175.8	-169.3	-99.4	0	0	0	111.8	F8 I10 G15 I16	F8-H12 WeakPolarHBondContact O-CB 3.46Å; F8-H12 PolarHBondContact O-N 3.01Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 2.93Å; H12-G15 PolarHBondContact O-N 3.35Å; H12-I16 WeakPolarHBondContact ND1-CD1 3.5Å; H12-I16 WeakPolarHBondContact O-CG1 3.4Å; H12-I16 PolarHBondContact O-N 3.43Å
13	F	44.6	Very low	42.8	Very low	76 Å²	76	82.1 Å²	82.1	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-50.4	172.5	-176.5	-103.1	0	0	0	110.4	K9 I10 G15 I16 V17 L108	K9-F13 WeakPolarHBondContact O-CB 3.43Å; K9-F13 PolarHBondContact O-N 3.26Å; I10-F13 PolarHBondContact O-N 3.41Å; F13-G15 VanDerWaalsContact C-N 3.26Å; F13-G15 PolarHBondContact O-N 2.91Å; F13-I16 PolarHBondContact O-N 2.92Å; F13-I16 VanDerWaalsContact O-N 3.13Å; F13-V17 HydrophobicContact CD1-CG2 3.94Å; F13-V17 HydrophobicContact CE1-CG2 3.7Å; F13-V17 HydrophobicContact CE2-CG2 4.33Å; F13-V17 HydrophobicContact CG-CG2 4.36Å; F13-V17 HydrophobicContact CZ-CG2 3.9Å; F13-V17 WeakPolarHBondContact O-CB 3.5Å; F13-V17 WeakPolarHBondContact O-CG2 3.15Å; F13-V17 PolarHBondContact O-N 3.41Å; F13-L108 HydrophobicContact CZ-CB 3.91Å
14	V	44.6	Very low	43.7	Very low	64 Å²	64	77.3 Å²	77.3	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-56.8	-39.4	174.2	170.8	0	0	0	0	111.3	I10 V17 I18	I10-V14 HydrophobicContact CG2-CG2 4.29Å; I10-V14 WeakPolarHBondContact O-CB 3.43Å; I10-V14 WeakPolarHBondContact O-CG2 3.35Å; I10-V14 PolarHBondContact O-N 2.96Å; V14-V17 PolarHBondContact O-N 3.38Å; V14-I18 HydrophobicContact CG1-CD1 3.6Å; V14-I18 HydrophobicContact CG1-CG1 4.28Å; V14-I18 WeakPolarHBondContact O-CB 3.35Å; V14-I18 WeakPolarHBondContact O-CD1 3.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.32Å; V14-I18 PolarHBondContact O-N 3Å
15	G	44	Very low	44.4	Very low	40 Å²	40	73.4 Å²	73.4	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-43.4	175.1	0	0	0	0	0	113.5	L11 H12 F13 V17 I18 G19	L11-G15 PolarHBondContact O-N 3.43Å; H12-G15 PolarHBondContact O-N 3.35Å; F13-G15 VanDerWaalsContact C-N 3.26Å; F13-G15 PolarHBondContact O-N 2.91Å; G15-V17 VanDerWaalsContact C-N 3.34Å; G15-I18 PolarHBondContact O-N 3.25Å; G15-G19 PolarHBondContact O-N 2.9Å
16	I	52.6	Low	45.2	Very low	76 Å²	76	73.4 Å²	73.4	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-43.1	173	-70.4	166.6	0	0	0	110.4	H12 F13 G19 F20	H12-I16 WeakPolarHBondContact ND1-CD1 3.5Å; H12-I16 WeakPolarHBondContact O-CG1 3.4Å; H12-I16 PolarHBondContact O-N 3.43Å; F13-I16 PolarHBondContact O-N 2.92Å; F13-I16 VanDerWaalsContact O-N 3.13Å; I16-G19 PolarHBondContact O-N 3.39Å; I16-F20 WeakPolarHBondContact O-CB 3.22Å; I16-F20 PolarHBondContact O-N 2.86Å
17	V	46.3	Very low	46.1	Very low	7 Å²	7	73.6 Å²	73.6	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-47.7	177.3	165.7	0	0	0	0	110.5	F13 V14 G15 L21 S109 I113	F13-V17 HydrophobicContact CD1-CG2 3.94Å; F13-V17 HydrophobicContact CE1-CG2 3.7Å; F13-V17 HydrophobicContact CE2-CG2 4.33Å; F13-V17 HydrophobicContact CG-CG2 4.36Å; F13-V17 HydrophobicContact CZ-CG2 3.9Å; F13-V17 WeakPolarHBondContact O-CB 3.5Å; F13-V17 WeakPolarHBondContact O-CG2 3.15Å; F13-V17 PolarHBondContact O-N 3.41Å; V14-V17 PolarHBondContact O-N 3.38Å; G15-V17 VanDerWaalsContact C-N 3.34Å; V17-L21 HydrophobicContact CG1-CD1 3.66Å; V17-L21 HydrophobicContact CG1-CG 4.46Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 WeakPolarHBondContact O-CG 3.42Å; V17-L21 PolarHBondContact O-N 3.42Å; V17-S109 VanDerWaalsContact CG1-CB 3.41Å; V17-S109 WeakPolarHBondContact CG1-OG 3.13Å; V17-S109 WeakPolarHBondContact CG2-OG 3.22Å; V17-I113 HydrophobicContact CG1-CD1 4.1Å
18	I	48.7	Very low	46.6	Very low	55 Å²	55	68.2 Å²	68.2	28%	0.282	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-43.7	177.5	-70.8	165.8	0	0	0	111	V14 G15 G22	V14-I18 HydrophobicContact CG1-CD1 3.6Å; V14-I18 HydrophobicContact CG1-CG1 4.28Å; V14-I18 WeakPolarHBondContact O-CB 3.35Å; V14-I18 WeakPolarHBondContact O-CD1 3.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.32Å; V14-I18 PolarHBondContact O-N 3Å; G15-I18 PolarHBondContact O-N 3.25Å; I18-G22 PolarHBondContact O-N 3.45Å
19	G	48.6	Very low	46.8	Very low	37 Å²	37	68.1 Å²	68.1	38%	0.381	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-46.4	179.8	0	0	0	0	0	113.2	G15 I16 G22 D23	G15-G19 PolarHBondContact O-N 2.9Å; I16-G19 PolarHBondContact O-N 3.39Å; G19-G22 PolarHBondContact O-N 3.06Å; G19-D23 PolarHBondContact O-N 3.31Å
20	F	51.1	Low	47	Very low	54 Å²	54	69 Å²	69	24%	0.237	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-38.5	179.2	-173.6	-99.4	0	0	0	111.9	I16 V24 I105 M106	I16-F20 WeakPolarHBondContact O-CB 3.22Å; I16-F20 PolarHBondContact O-N 2.86Å; F20-V24 HydrophobicContact CE1-CG2 4.2Å; F20-V24 WeakPolarHBondContact O-CG2 3.24Å; F20-V24 PolarHBondContact O-N 3.08Å; F20-I105 HydrophobicContact CD1-CG2 4.3Å; F20-M106 HydrophobicContact CE1-CB 4.18Å; F20-M106 HydrophobicContact CE1-CG 4.25Å; F20-M106 HydrophobicContact CE1-SD 4.34Å
21	L	49.5	Very low	47.3	Very low	23 Å²	23	64.1 Å²	64.1	12%	0.12	33%	0.333	C	S	.	.	H	α-helix	trans	-69.4	-37.2	174.5	-72.8	172.5	0	0	0	111.4	V17 D23 V24 M25 M106 I113 Y141	V17-L21 HydrophobicContact CG1-CD1 3.66Å; V17-L21 HydrophobicContact CG1-CG 4.46Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 WeakPolarHBondContact O-CG 3.42Å; V17-L21 PolarHBondContact O-N 3.42Å; L21-D23 VanDerWaalsContact C-N 3.32Å; L21-D23 PolarHBondContact O-N 2.93Å; L21-V24 CarbonylContact O-C 3.48Å; L21-V24 WeakPolarHBondContact O-CA 3.39Å; L21-V24 WeakPolarHBondContact O-CB 3.44Å; L21-V24 PolarHBondContact O-N 2.93Å; L21-M25 WeakPolarHBondContact O-CG 3.41Å; L21-M25 PolarHBondContact O-N 3.5Å; L21-M106 HydrophobicContact CD2-CG 4.38Å; L21-I113 HydrophobicContact CD1-CD1 3.66Å; L21-Y141 HydrophobicContact CB-CE1 4.34Å; L21-Y141 WeakPolarHBondContact CB-OH 3.49Å; L21-Y141 HydrophobicContact CD1-CE1 4.13Å; L21-Y141 WeakPolarHBondContact CD1-OH 3.47Å
22	G	50.2	Low	47.5	Very low	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-50.4	-49.2	172.1	0	0	0	0	0	112.9	I18 G19 V24 M25 Q26 E149	I18-G22 PolarHBondContact O-N 3.45Å; G19-G22 PolarHBondContact O-N 3.06Å; G22-V24 VanDerWaalsContact C-N 3.32Å; G22-V24 PolarHBondContact O-N 3.47Å; G22-M25 WeakPolarHBondContact O-CA 3.49Å; G22-M25 WeakPolarHBondContact O-CB 3.48Å; G22-M25 PolarHBondContact O-N 3.2Å; G22-Q26 PolarHBondContact O-N 3.43Å; G22-Q26 VanDerWaalsContact O-N 3.12Å; G22-E149 WeakPolarHBondContact CA-OE1 3.24Å
23	D	49.7	Very low	47.4	Very low	108 Å²	108	68.5 Å²	68.5	58%	0.578	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-39.7	176.1	-77.1	-28	0	0	0	112.1	G19 L21 M25 E149	G19-D23 PolarHBondContact O-N 3.31Å; L21-D23 VanDerWaalsContact C-N 3.32Å; L21-D23 PolarHBondContact O-N 2.93Å; D23-M25 VanDerWaalsContact C-N 3.26Å; D23-M25 PolarHBondContact O-N 3.35Å; D23-E149 PolarHBondContact N-OE1 2.79Å
24	V	51.4	Low	47.6	Very low	12 Å²	12	66.7 Å²	66.7	7%	0.073	34%	0.344	C	S	.	.	H	α-helix	trans	-66.7	-28.7	173.4	176.9	0	0	0	0	111.4	F20 L21 G22 Q27 K28 M80 M106	F20-V24 HydrophobicContact CE1-CG2 4.2Å; F20-V24 WeakPolarHBondContact O-CG2 3.24Å; F20-V24 PolarHBondContact O-N 3.08Å; L21-V24 CarbonylContact O-C 3.48Å; L21-V24 WeakPolarHBondContact O-CA 3.39Å; L21-V24 WeakPolarHBondContact O-CB 3.44Å; L21-V24 PolarHBondContact O-N 2.93Å; G22-V24 VanDerWaalsContact C-N 3.32Å; G22-V24 PolarHBondContact O-N 3.47Å; V24-Q27 CarbonylContact O-C 3.57Å; V24-Q27 WeakPolarHBondContact O-CA 3.45Å; V24-Q27 WeakPolarHBondContact O-CB 3.44Å; V24-Q27 PolarHBondContact O-N 2.87Å; V24-K28 PolarHBondContact O-N 3.39Å; V24-M80 HydrophobicContact CG1-SD 3.83Å; V24-M106 HydrophobicContact CG2-SD 4.4Å
25	M	47.8	Very low	48	Very low	13 Å²	13	66.8 Å²	66.8	6%	0.064	35%	0.345	C	S	.	.	H	α-helix	trans	-75.9	-33.5	-179.9	-63.5	-147.7	-52.9	0	0	113.4	L21 G22 D23 Q27 K28 M29 Y141 L142 A145	L21-M25 WeakPolarHBondContact O-CG 3.41Å; L21-M25 PolarHBondContact O-N 3.5Å; G22-M25 WeakPolarHBondContact O-CA 3.49Å; G22-M25 WeakPolarHBondContact O-CB 3.48Å; G22-M25 PolarHBondContact O-N 3.2Å; D23-M25 VanDerWaalsContact C-N 3.26Å; D23-M25 PolarHBondContact O-N 3.35Å; M25-Q27 PolarHBondContact O-N 2.99Å; M25-K28 PolarHBondContact O-N 3.4Å; M25-K28 VanDerWaalsContact O-N 3.16Å; M25-M29 PolarHBondContact O-N 3.01Å; M25-M29 VanDerWaalsContact O-N 3.15Å; M25-Y141 HydrophobicContact SD-CD1 4.22Å; M25-Y141 HydrophobicContact SD-CE1 4.18Å; M25-L142 HydrophobicContact CB-CD1 3.7Å; M25-L142 HydrophobicContact CE-CB 4.26Å; M25-L142 HydrophobicContact CE-CD1 3.46Å; M25-L142 VanDerWaalsContact CE-CD1 3.46Å; M25-L142 HydrophobicContact CE-CG 4.29Å; M25-L142 WeakPolarHBondContact CE-O 3.36Å; M25-L142 HydrophobicContact CG-CD1 3.91Å; M25-L142 VanDerWaalsContact SD-CA 3.55Å; M25-L142 HydrophobicContact SD-CB 3.81Å; M25-L142 HydrophobicContact SD-CD1 3.15Å; M25-L142 WeakPolarHBondContact SD-CD1 3.33Å; M25-L142 HydrophobicContact SD-CG 4.03Å; M25-A145 HydrophobicContact CE-CB 3.28Å
26	Q	52.5	Low	48.6	Very low	101 Å²	101	68.5 Å²	68.5	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-57.3	-33.4	166.2	-75.1	-72.8	-43.2	0	0	111.3	G22	G22-Q26 PolarHBondContact O-N 3.43Å; G22-Q26 VanDerWaalsContact O-N 3.12Å
27	Q	49.5	Very low	49.1	Very low	54 Å²	54	70 Å²	70	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-77.7	-36.6	175.4	-68.6	175.4	-21.6	0	0	112.6	V24 M25 M29 K30 A31 V84 E88	V24-Q27 CarbonylContact O-C 3.57Å; V24-Q27 WeakPolarHBondContact O-CA 3.45Å; V24-Q27 WeakPolarHBondContact O-CB 3.44Å; V24-Q27 PolarHBondContact O-N 2.87Å; M25-Q27 PolarHBondContact O-N 2.99Å; Q27-M29 PolarHBondContact O-N 2.82Å; Q27-K30 WeakPolarHBondContact O-CB 3.19Å; Q27-K30 PolarHBondContact O-N 3.25Å; Q27-A31 PolarHBondContact O-N 2.87Å; Q27-V84 HydrophobicContact CB-CG2 4.17Å; Q27-V84 VanDerWaalsContact CD-CG1 3.44Å; Q27-E88 PolarHBondContact NE2-OE1 2.99Å
28	K	44.8	Very low	50.1	Low	72 Å²	72	70.5 Å²	70.5	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-31.5	173.7	-80.6	-174.3	175.8	-178.6	0	113.1	V24 M25 K30 A31 M80	V24-K28 PolarHBondContact O-N 3.39Å; M25-K28 PolarHBondContact O-N 3.4Å; M25-K28 VanDerWaalsContact O-N 3.16Å; K28-K30 PolarHBondContact O-N 3.33Å; K28-A31 PolarHBondContact O-N 2.99Å; K28-M80 HydrophobicContact CD-SD 4.34Å; K28-M80 VanDerWaalsContact CE-SD 3.55Å; K28-M80 HydrophobicContact CG-CE 3.88Å; K28-M80 HydrophobicContact CG-SD 3.81Å
29	M	45.1	Very low	51	Low	147 Å²	147	69.5 Å²	69.5	72%	0.724	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.6	176.3	-140.7	176.7	70.9	0	0	112.8	M25 Q27	M25-M29 PolarHBondContact O-N 3.01Å; M25-M29 VanDerWaalsContact O-N 3.15Å; Q27-M29 PolarHBondContact O-N 2.82Å
30	K	41.9	Very low	52.3	Low	176 Å²	176	71.6 Å²	71.6	77%	0.765	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-19.7	171.4	-67	-177.3	179.5	177.8	0	113.1	Q27 K28 H32	Q27-K30 WeakPolarHBondContact O-CB 3.19Å; Q27-K30 PolarHBondContact O-N 3.25Å; K28-K30 PolarHBondContact O-N 3.33Å; K30-H32 PolarHBondContact O-N 2.91Å
31	A	46.1	Very low	53.6	Low	7 Å²	7	72.8 Å²	72.8	6%	0.058	37%	0.37	C	S	.	.			trans	-99	39.1	-174	0	0	0	0	0	113.3	Q27 K28 H33 D34 I83 L87	Q27-A31 PolarHBondContact O-N 2.87Å; K28-A31 PolarHBondContact O-N 2.99Å; A31-H33 PolarHBondContact O-N 3.07Å; A31-D34 PolarHBondContact O-N 2.91Å; A31-D34 VanDerWaalsContact O-N 3.08Å; A31-I83 HydrophobicContact CB-CG2 4.06Å; A31-L87 HydrophobicContact CB-CD1 4.04Å
32	H	44.3	Very low	55.1	Low	154 Å²	154	73.2 Å²	73.2	71%	0.713	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.3	-178.1	-135.9	-60.3	0	0	0	114	K30	K30-H32 PolarHBondContact O-N 2.91Å
33	H	42.1	Very low	56.7	Low	163 Å²	163	76 Å²	76	76%	0.755	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-34.7	174.9	-89	-96.2	0	0	0	113.7	A31 T35 S36	A31-H33 PolarHBondContact O-N 3.07Å; H33-T35 PolarHBondContact O-N 3.47Å; H33-S36 PolarHBondContact O-OG 3.07Å
34	D	48.2	Very low	58.6	Low	37 Å²	37	77.2 Å²	77.2	20%	0.198	39%	0.385	C	S	.	.	H	α-helix	trans	-80.2	-18.7	-169.1	-64.3	-47.7	0	0	0	114.2	A31 S36 L37 L38 I83	A31-D34 PolarHBondContact O-N 2.91Å; A31-D34 VanDerWaalsContact O-N 3.08Å; D34-S36 PolarHBondContact O-N 3.28Å; D34-S36 VanDerWaalsContact O-N 3.11Å; D34-L37 PolarHBondContact O-N 2.84Å; D34-L38 WeakPolarHBondContact O-CG 3.48Å; D34-L38 PolarHBondContact O-N 3.41Å; D34-I83 HydrophobicContact CB-CD1 3.76Å; D34-I83 WeakPolarHBondContact OD2-CD1 3.43Å; D34-I83 WeakPolarHBondContact OD2-CG1 3.07Å; D34-I83 WeakPolarHBondContact OD2-CG2 3.42Å
35	T	54.2	Low	60.4	Low	67 Å²	67	78.4 Å²	78.4	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-25.1	178.3	-13.5	0	0	0	0	112	H33 S39 Y135	H33-T35 PolarHBondContact O-N 3.47Å; T35-S39 WeakPolarHBondContact O-CB 3.44Å; T35-S39 PolarHBondContact O-N 3.37Å; T35-S39 PolarHBondContact O-OG 3.02Å; T35-Y135 HydrophobicContact CG2-CE1 3.68Å; T35-Y135 PolarHBondContact O-OH 2.9Å; T35-Y135 VanDerWaalsContact O-OH 3.04Å
36	S	55.8	Low	62.5	Low	75 Å²	75	77.9 Å²	77.9	52%	0.524	39%	0.386	S	S	.	.	H	α-helix	trans	-82.3	-42.5	-179.3	60.3	0	0	0	0	113.5	H33 D34 S39 V40	H33-S36 PolarHBondContact O-OG 3.07Å; D34-S36 PolarHBondContact O-N 3.28Å; D34-S36 VanDerWaalsContact O-N 3.11Å; S36-S39 WeakPolarHBondContact O-CB 3.38Å; S36-S39 PolarHBondContact O-N 3.48Å; S36-V40 WeakPolarHBondContact O-CG2 3.2Å; S36-V40 PolarHBondContact O-N 3.3Å
37	L	62.9	Low	64.3	Low	108 Å²	108	78.2 Å²	78.2	57%	0.565	39%	0.386	S	S	*	.	H	α-helix	trans	-64.3	-48.2	177.7	-87.4	157.3	0	0	0	111.6	D34 S39 V40 E41	D34-L37 PolarHBondContact O-N 2.84Å; L37-S39 PolarHBondContact O-N 3.12Å; L37-V40 PolarHBondContact O-N 3.38Å; L37-V40 VanDerWaalsContact O-N 3.12Å; L37-E41 PolarHBondContact O-N 3.23Å
38	L	67	Low	66.3	Low	17 Å²	17	79.9 Å²	79.9	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-31	-180	-60.6	170.6	0	0	0	111.5	D34 M42 F76	D34-L38 WeakPolarHBondContact O-CG 3.48Å; D34-L38 PolarHBondContact O-N 3.41Å; L38-M42 WeakPolarHBondContact O-CB 3.16Å; L38-M42 WeakPolarHBondContact O-CG 3.48Å; L38-M42 PolarHBondContact O-N 2.84Å; L38-M42 VanDerWaalsContact O-N 3.09Å; L38-F76 HydrophobicContact CD1-CD2 3.93Å; L38-F76 HydrophobicContact CD1-CE2 3.65Å; L38-F76 HydrophobicContact CD2-CD2 4.4Å
39	S	68.4	Low	68.6	Low	34 Å²	34	76.7 Å²	76.7	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-41.4	174.3	-68.8	0	0	0	0	113.2	T35 S36 L37 H43 Y135	T35-S39 WeakPolarHBondContact O-CB 3.44Å; T35-S39 PolarHBondContact O-N 3.37Å; T35-S39 PolarHBondContact O-OG 3.02Å; S36-S39 WeakPolarHBondContact O-CB 3.38Å; S36-S39 PolarHBondContact O-N 3.48Å; L37-S39 PolarHBondContact O-N 3.12Å; S39-H43 PolarHBondContact O-N 3.04Å; S39-H43 VanDerWaalsContact O-N 3.16Å; S39-Y135 PolarHBondContact N-OH 3.25Å; S39-Y135 WeakPolarHBondContact OG-CE2 3.5Å; S39-Y135 PolarHBondContact OG-OH 3.03Å
40	V	76	Confident	70.7	Confident	81 Å²	81	70.9 Å²	70.9	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-69.4	-45.7	-178	178.4	0	0	0	0	109.7	S36 L37 M42 H43 F44	S36-V40 WeakPolarHBondContact O-CG2 3.2Å; S36-V40 PolarHBondContact O-N 3.3Å; L37-V40 PolarHBondContact O-N 3.38Å; L37-V40 VanDerWaalsContact O-N 3.12Å; V40-M42 PolarHBondContact O-N 3.48Å; V40-H43 PolarHBondContact O-N 3.35Å; V40-F44 HydrophobicContact CG1-CD2 3.73Å; V40-F44 HydrophobicContact CG1-CE2 3.47Å; V40-F44 VanDerWaalsContact CG1-CE2 3.47Å; V40-F44 WeakPolarHBondContact O-CD2 3.42Å; V40-F44 PolarHBondContact O-N 3.24Å; V40-F44 VanDerWaalsContact O-N 3.15Å
41	E	78.1	Confident	73	Confident	79 Å²	79	72.9 Å²	72.9	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-55.5	-48.9	176.1	-67.8	174.8	-170.6	0	0	111.7	L37 H43 F44 W45	L37-E41 PolarHBondContact O-N 3.23Å; E41-H43 VanDerWaalsContact C-N 3.33Å; E41-H43 PolarHBondContact O-N 3.38Å; E41-F44 PolarHBondContact O-N 3.26Å; E41-W45 WeakPolarHBondContact O-CB 3.32Å; E41-W45 PolarHBondContact O-N 3.32Å
42	M	81.9	Confident	75.3	Confident	32 Å²	32	76.7 Å²	76.7	16%	0.158	38%	0.379	C	S	.	.	H	α-helix	trans	-61.2	-39.4	178.8	-70	-68.9	177.8	0	0	112.5	L38 V40 W45 Y46 M72	L38-M42 WeakPolarHBondContact O-CB 3.16Å; L38-M42 WeakPolarHBondContact O-CG 3.48Å; L38-M42 PolarHBondContact O-N 2.84Å; L38-M42 VanDerWaalsContact O-N 3.09Å; V40-M42 PolarHBondContact O-N 3.48Å; M42-W45 PolarHBondContact O-N 3.03Å; M42-Y46 HydrophobicContact CB-CE2 4.28Å; M42-Y46 VanDerWaalsContact O-CD2 3.27Å; M42-Y46 WeakPolarHBondContact O-CD2 3.4Å; M42-Y46 VanDerWaalsContact O-CG 3.25Å; M42-Y46 PolarHBondContact O-N 3.15Å; M42-M72 HydrophobicContact CE-CB 4.34Å; M42-M72 HydrophobicContact CE-CE 3.69Å; M42-M72 HydrophobicContact CG-CE 4.39Å; M42-M72 HydrophobicContact SD-CE 3.55Å; M42-M72 VanDerWaalsContact SD-CE 3.55Å
43	H	83.8	Confident	77.5	Confident	59 Å²	59	71.2 Å²	71.2	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-43.1	179.3	-172.4	75.8	0	0	0	112.2	S39 V40 E41 K47	S39-H43 PolarHBondContact O-N 3.04Å; S39-H43 VanDerWaalsContact O-N 3.16Å; V40-H43 PolarHBondContact O-N 3.35Å; E41-H43 VanDerWaalsContact C-N 3.33Å; E41-H43 PolarHBondContact O-N 3.38Å; H43-K47 WeakPolarHBondContact NE2-CE 3.43Å; H43-K47 PolarHBondContact NE2-NZ 2.65Å; H43-K47 PolarHBondContact O-N 3.13Å
44	F	88.5	Confident	79.7	Confident	133 Å²	133	68.1 Å²	68.1	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-67.8	-39.1	175.4	-75.8	-70.2	0	0	0	111.9	V40 E41 K47 L48	V40-F44 HydrophobicContact CG1-CD2 3.73Å; V40-F44 HydrophobicContact CG1-CE2 3.47Å; V40-F44 VanDerWaalsContact CG1-CE2 3.47Å; V40-F44 WeakPolarHBondContact O-CD2 3.42Å; V40-F44 PolarHBondContact O-N 3.24Å; V40-F44 VanDerWaalsContact O-N 3.15Å; E41-F44 PolarHBondContact O-N 3.26Å; F44-K47 PolarHBondContact O-N 3.11Å; F44-L48 PolarHBondContact O-N 3Å
45	W	90.7	Very high	81.4	Confident	38 Å²	38	69.8 Å²	69.8	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-60	-48.3	176.5	-179.5	-112.8	0	0	0	112.4	E41 M42 K47 L48 L49 L67 D68 I71 M72	E41-W45 WeakPolarHBondContact O-CB 3.32Å; E41-W45 PolarHBondContact O-N 3.32Å; M42-W45 PolarHBondContact O-N 3.03Å; W45-K47 VanDerWaalsContact C-N 3.33Å; W45-K47 PolarHBondContact O-N 3.12Å; W45-L48 HydrophobicContact CE3-CD2 4.14Å; W45-L48 HydrophobicContact CZ3-CD2 4.05Å; W45-L48 WeakPolarHBondContact O-CB 3.45Å; W45-L48 PolarHBondContact O-N 2.78Å; W45-L48 VanDerWaalsContact O-N 3.13Å; W45-L49 HydrophobicContact CD2-CD1 4.5Å; W45-L49 HydrophobicContact CD2-CG 4.42Å; W45-L49 HydrophobicContact CZ2-CD1 4.21Å; W45-L49 HydrophobicContact CZ2-CD2 4.11Å; W45-L49 HydrophobicContact CZ2-CG 4.25Å; W45-L49 VanDerWaalsContact NE1-CD1 3.32Å; W45-L49 PolarHBondContact O-N 3.3Å; W45-L67 HydrophobicContact CZ2-CB 4.21Å; W45-D68 PolarHBondContact NE1-OD1 3.27Å; W45-I71 HydrophobicContact CH2-CB 4.18Å; W45-I71 HydrophobicContact CH2-CD1 3.69Å; W45-I71 HydrophobicContact CH2-CG2 4.08Å; W45-I71 HydrophobicContact CZ2-CB 4.31Å; W45-I71 HydrophobicContact CZ2-CD1 4.28Å; W45-I71 HydrophobicContact CZ3-CG2 4.46Å; W45-M72 HydrophobicContact CB-CE 4.28Å; W45-M72 HydrophobicContact CB-SD 4.29Å; W45-M72 VanDerWaalsContact CD1-CG 3.46Å; W45-M72 HydrophobicContact CD2-CG 3.78Å; W45-M72 HydrophobicContact CD2-SD 3.81Å; W45-M72 VanDerWaalsContact CE2-CG 3.48Å; W45-M72 HydrophobicContact CE3-SD 4.21Å; W45-M72 HydrophobicContact CG-CE 4.31Å; W45-M72 HydrophobicContact CG-CG 3.77Å; W45-M72 HydrophobicContact CG-SD 3.84Å; W45-M72 HydrophobicContact CZ2-CG 4.12Å
46	Y	90.4	Very high	82.7	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-37.4	177.6	-62.2	-28.7	0	0	0	112.7	M42 L48 L49 D50 Q118 F122 R130	M42-Y46 HydrophobicContact CB-CE2 4.28Å; M42-Y46 VanDerWaalsContact O-CD2 3.27Å; M42-Y46 WeakPolarHBondContact O-CD2 3.4Å; M42-Y46 VanDerWaalsContact O-CG 3.25Å; M42-Y46 PolarHBondContact O-N 3.15Å; Y46-L48 VanDerWaalsContact C-N 3.34Å; Y46-L49 PolarHBondContact O-N 3.22Å; Y46-D50 WeakPolarHBondContact O-CB 3.43Å; Y46-D50 PolarHBondContact O-N 3.2Å; Y46-Q118 PolarHBondContact OH-NE2 3.42Å; Y46-F122 AromaticContact CD1-CE1 3.73Å; Y46-F122 HydrophobicContact CD1-CE1 3.73Å; Y46-F122 AromaticContact CD1-CZ 3.67Å; Y46-F122 HydrophobicContact CD1-CZ 3.67Å; Y46-F122 HydrophobicContact CE1-CE1 4.14Å; Y46-F122 AromaticContact CE1-CZ 3.68Å; Y46-F122 HydrophobicContact CE1-CZ 3.68Å; Y46-F122 HydrophobicContact CG-CE1 4.48Å; Y46-R130 HydrophobicContact CD2-CB 3.78Å; Y46-R130 HydrophobicContact CE2-CB 4.01Å
47	K	90.1	Very high	84.4	Confident	107 Å²	107	68.3 Å²	68.3	47%	0.465	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-41.7	172.1	-83.5	178.7	167	165.5	0	112	H43 F44 W45 D50 R51 T127	H43-K47 WeakPolarHBondContact NE2-CE 3.43Å; H43-K47 PolarHBondContact NE2-NZ 2.65Å; H43-K47 PolarHBondContact O-N 3.13Å; F44-K47 PolarHBondContact O-N 3.11Å; W45-K47 VanDerWaalsContact C-N 3.33Å; W45-K47 PolarHBondContact O-N 3.12Å; K47-D50 PolarHBondContact O-N 3.36Å; K47-R51 WeakPolarHBondContact O-CB 3.37Å; K47-R51 PolarHBondContact O-N 3.16Å; K47-T127 HydrophobicContact CG-CG2 4Å
48	L	92.6	Very high	85.8	Confident	89 Å²	89	69.3 Å²	69.3	47%	0.466	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-49.7	176.3	179.1	64.3	0	0	0	110.7	F44 W45 Y46 D50 R51 V52	F44-L48 PolarHBondContact O-N 3Å; W45-L48 HydrophobicContact CE3-CD2 4.14Å; W45-L48 HydrophobicContact CZ3-CD2 4.05Å; W45-L48 WeakPolarHBondContact O-CB 3.45Å; W45-L48 PolarHBondContact O-N 2.78Å; W45-L48 VanDerWaalsContact O-N 3.13Å; Y46-L48 VanDerWaalsContact C-N 3.34Å; L48-D50 VanDerWaalsContact C-N 3.32Å; L48-D50 PolarHBondContact O-N 3.27Å; L48-R51 WeakPolarHBondContact O-CB 3.09Å; L48-R51 PolarHBondContact O-N 3.04Å; L48-R51 VanDerWaalsContact O-N 3.12Å; L48-V52 HydrophobicContact CD1-CG2 4.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.26Å
49	L	91.8	Very high	87.1	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-60.9	-38.9	178.6	-75.2	-178	0	0	0	112.8	W45 Y46 V52 F53 K64 L67 F122	W45-L49 HydrophobicContact CD2-CD1 4.5Å; W45-L49 HydrophobicContact CD2-CG 4.42Å; W45-L49 HydrophobicContact CZ2-CD1 4.21Å; W45-L49 HydrophobicContact CZ2-CD2 4.11Å; W45-L49 HydrophobicContact CZ2-CG 4.25Å; W45-L49 VanDerWaalsContact NE1-CD1 3.32Å; W45-L49 PolarHBondContact O-N 3.3Å; Y46-L49 PolarHBondContact O-N 3.22Å; L49-V52 PolarHBondContact O-N 3.15Å; L49-F53 HydrophobicContact CD2-CD2 4.39Å; L49-F53 HydrophobicContact CD2-CE2 4.43Å; L49-F53 WeakPolarHBondContact O-CA 3.33Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 PolarHBondContact O-N 3.16Å; L49-K64 HydrophobicContact CB-CD 4.36Å; L49-K64 HydrophobicContact CB-CG 4.17Å; L49-K64 HydrophobicContact CD1-CB 4.24Å; L49-K64 HydrophobicContact CD1-CG 4.38Å; L49-K64 HydrophobicContact CD2-CG 4.47Å; L49-K64 WeakPolarHBondContact O-CE 3.15Å; L49-L67 HydrophobicContact CD2-CB 4.21Å; L49-L67 HydrophobicContact CD2-CD1 3.72Å; L49-F122 HydrophobicContact CD1-CE1 4.02Å; L49-F122 HydrophobicContact CD1-CZ 3.66Å
50	D	89.6	Confident	88.2	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.128	39%	0.387	C	S	.	.	H	α-helix	trans	-70.4	-32.1	175.4	-74	-26.4	0	0	0	112.9	Y46 K47 L48 F53 P54 K64 T127 R130	Y46-D50 WeakPolarHBondContact O-CB 3.43Å; Y46-D50 PolarHBondContact O-N 3.2Å; K47-D50 PolarHBondContact O-N 3.36Å; L48-D50 VanDerWaalsContact C-N 3.32Å; L48-D50 PolarHBondContact O-N 3.27Å; D50-F53 CarbonylContact O-C 3.48Å; D50-P54 WeakPolarHBondContact O-CA 3.28Å; D50-K64 IonicContact OD1-NZ 2.71Å; D50-K64 PolarHBondContact OD1-NZ 3.36Å; D50-T127 VanDerWaalsContact OD2-CB 3.31Å; D50-T127 WeakPolarHBondContact OD2-CB 3.4Å; D50-T127 WeakPolarHBondContact OD2-CG2 3.22Å; D50-T127 PolarHBondContact OD2-OG1 2.91Å; D50-R130 IonicContact OD1-CZ 3.32Å; D50-R130 VanDerWaalsContact OD1-CZ 3.32Å; D50-R130 IonicContact OD1-NH1 2.76Å; D50-R130 PolarHBondContact OD1-NH1 3.42Å; D50-R130 IonicContact OD1-NH2 2.97Å; D50-R130 PolarHBondContact OD1-NH2 3.43Å; D50-R130 IonicContact OD2-CZ 3.32Å; D50-R130 IonicContact OD2-NH1 2.71Å; D50-R130 PolarHBondContact OD2-NH1 3.09Å; D50-R130 IonicContact OD2-NH2 3.37Å; D50-R130 PolarHBondContact OD2-NH2 3.29Å
51	R	91.2	Very high	89.1	Confident	218 Å²	218	74.1 Å²	74.1	82%	0.823	37%	0.366	S	S	*	.	H	α-helix	trans	-67.8	-40.7	174.6	-173.1	179.5	177.6	101.3	-0.1	111.5	K47 L48	K47-R51 WeakPolarHBondContact O-CB 3.37Å; K47-R51 PolarHBondContact O-N 3.16Å; L48-R51 WeakPolarHBondContact O-CB 3.09Å; L48-R51 PolarHBondContact O-N 3.04Å; L48-R51 VanDerWaalsContact O-N 3.12Å
52	V	92.8	Very high	89.9	Confident	87 Å²	87	72.9 Å²	72.9	53%	0.527	37%	0.369	S	S	.	.	H	α-helix	trans	-78.1	-37.5	-179.8	-179.3	0	0	0	0	111.5	L48 L49 P54	L48-V52 HydrophobicContact CD1-CG2 4.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.26Å; L49-V52 PolarHBondContact O-N 3.15Å; V52-P54 WeakPolarHBondContact O-CD 3.46Å
53	F	91.9	Very high	90.5	Very high	40 Å²	40	73.7 Å²	73.7	18%	0.175	37%	0.374	C	S	.	.	S	Bend	trans	-126.2	76.8	-177.2	-54.8	-74.4	0	0	0	110.9	L49 D50 T55 H60 I63 K64 L67	L49-F53 HydrophobicContact CD2-CD2 4.39Å; L49-F53 HydrophobicContact CD2-CE2 4.43Å; L49-F53 WeakPolarHBondContact O-CA 3.33Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 PolarHBondContact O-N 3.16Å; D50-F53 CarbonylContact O-C 3.48Å; F53-T55 PolarHBondContact O-N 2.88Å; F53-H60 HydrophobicContact CB-CB 4.1Å; F53-H60 AromaticContact CD1-CD2 3.82Å; F53-I63 HydrophobicContact CD1-CG2 4.35Å; F53-I63 HydrophobicContact CD2-CG2 4.38Å; F53-I63 HydrophobicContact CE1-CD1 4.28Å; F53-I63 HydrophobicContact CE1-CG2 3.73Å; F53-I63 HydrophobicContact CE2-CG2 3.77Å; F53-I63 HydrophobicContact CZ-CG2 3.4Å; F53-I63 VanDerWaalsContact CZ-CG2 3.4Å; F53-K64 HydrophobicContact CB-CD 4.5Å; F53-K64 VanDerWaalsContact CB-CE 3.43Å; F53-K64 HydrophobicContact CB-CG 4.27Å; F53-K64 HydrophobicContact CD2-CG 4.18Å; F53-K64 WeakPolarHBondContact O-CE 3.1Å; F53-K64 PolarHBondContact O-NZ 3.06Å; F53-L67 HydrophobicContact CD2-CD1 4.5Å; F53-L67 HydrophobicContact CE2-CD1 3.54Å; F53-L67 HydrophobicContact CZ-CD1 4.11Å
54	P	87.2	Confident	91	Very high	97 Å²	97	71 Å²	71	63%	0.63	36%	0.361	S	S	*	.			trans	-74.4	-25.4	-168.3	26.3	-34.8	0	0	0	114.7	D50 V52	D50-P54 WeakPolarHBondContact O-CA 3.28Å; V52-P54 WeakPolarHBondContact O-CD 3.46Å
55	T	84.8	Confident	91.3	Very high	73 Å²	73	65.1 Å²	65.1	45%	0.448	34%	0.336	S	S	.	.	S	Bend	trans	-84.8	144.3	-177.9	69.8	0	0	0	0	112.1	F53 S57 H60	F53-T55 PolarHBondContact O-N 2.88Å; T55-S57 PolarHBondContact O-N 3.28Å; T55-S57 VanDerWaalsContact O-N 3.09Å; T55-S57 PolarHBondContact OG1-OG 3.37Å; T55-H60 WeakPolarHBondContact O-CB 3.24Å; T55-H60 PolarHBondContact O-ND1 3.18Å; T55-H60 VanDerWaalsContact O-ND1 3.13Å; T55-H60 PolarHBondContact OG1-CE1 3.32Å; T55-H60 PolarHBondContact OG1-ND1 2.89Å
56	A	82.2	Confident	91.5	Very high	63 Å²	63	67.4 Å²	67.4	52%	0.521	36%	0.357	S	S	.	.			trans	-79.5	28.1	174	0	0	0	0	0	113
57	S	90.9	Very high	91.8	Very high	48 Å²	48	70 Å²	70	34%	0.336	37%	0.371	S	S	.	.			trans	-66.8	146.9	175.8	70	0	0	0	0	110.3	T55 R59 H60 V61	T55-S57 PolarHBondContact O-N 3.28Å; T55-S57 VanDerWaalsContact O-N 3.09Å; T55-S57 PolarHBondContact OG1-OG 3.37Å; S57-R59 PolarHBondContact O-N 2.9Å; S57-R59 VanDerWaalsContact O-N 3.12Å; S57-H60 PolarHBondContact O-N 3.42Å; S57-H60 PolarHBondContact OG-N 2.82Å; S57-V61 PolarHBondContact O-N 3.38Å
58	L	92.1	Very high	91.9	Very high	128 Å²	128	65.3 Å²	65.3	67%	0.67	35%	0.351	S	S	*	.	H	α-helix	trans	-53.3	-35.7	177.1	-69.9	173.5	0	0	0	112.2	V61 A62 Y123	L58-V61 PolarHBondContact O-N 3.27Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.3Å; L58-Y123 HydrophobicContact CD2-CD2 3.88Å; L58-Y123 HydrophobicContact CD2-CE2 3.49Å; L58-Y123 VanDerWaalsContact CD2-CE2 3.49Å; L58-Y123 HydrophobicContact CG-CE2 4.17Å
59	R	93.1	Very high	92	Very high	189 Å²	189	61.7 Å²	61.7	71%	0.713	33%	0.331	S	S	*	.	H	α-helix	trans	-62.1	-47.3	175.2	-176.8	-180	178.6	-138.4	0.4	112.1	S57 A62 I63	S57-R59 PolarHBondContact O-N 2.9Å; S57-R59 VanDerWaalsContact O-N 3.12Å; R59-A62 PolarHBondContact O-N 2.91Å; R59-I63 HydrophobicContact CG-CD1 4.08Å; R59-I63 VanDerWaalsContact O-CG1 3.3Å; R59-I63 WeakPolarHBondContact O-CG1 2.95Å; R59-I63 PolarHBondContact O-N 2.95Å
60	H	93.1	Very high	92	Very high	36 Å²	36	64.3 Å²	64.3	17%	0.167	35%	0.354	C	S	.	.	H	α-helix	trans	-67.6	-38.8	178.2	-76.9	174	0	0	0	112.2	F53 T55 S57 I63 K64	F53-H60 HydrophobicContact CB-CB 4.1Å; F53-H60 AromaticContact CD1-CD2 3.82Å; T55-H60 WeakPolarHBondContact O-CB 3.24Å; T55-H60 PolarHBondContact O-ND1 3.18Å; T55-H60 VanDerWaalsContact O-ND1 3.13Å; T55-H60 PolarHBondContact OG1-CE1 3.32Å; T55-H60 PolarHBondContact OG1-ND1 2.89Å; S57-H60 PolarHBondContact O-N 3.42Å; S57-H60 PolarHBondContact OG-N 2.82Å; H60-I63 PolarHBondContact O-N 3.36Å; H60-K64 WeakPolarHBondContact O-CB 3.17Å; H60-K64 VanDerWaalsContact O-CG 3.26Å; H60-K64 WeakPolarHBondContact O-CG 3.25Å; H60-K64 PolarHBondContact O-N 3.24Å
61	V	93.8	Very high	92.2	Very high	9 Å²	9	67.1 Å²	67.1	6%	0.055	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-47.6	174.4	171.5	0	0	0	0	110.5	S57 L58 I63 K64 V65 F122 Y123	S57-V61 PolarHBondContact O-N 3.38Å; L58-V61 PolarHBondContact O-N 3.27Å; V61-I63 VanDerWaalsContact C-N 3.34Å; V61-I63 PolarHBondContact O-N 3.2Å; V61-K64 PolarHBondContact O-N 3.47Å; V61-V65 HydrophobicContact CG1-CG2 4.29Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.42Å; V61-V65 PolarHBondContact O-N 2.91Å; V61-F122 HydrophobicContact CG1-CB 4.02Å; V61-F122 HydrophobicContact CG2-CB 4.18Å; V61-Y123 HydrophobicContact CG2-CD2 4.01Å
62	A	94.5	Very high	92.2	Very high	52 Å²	52	57.4 Å²	57.4	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-44.7	176.7	0	0	0	0	0	112.2	L58 R59 V65 C66	L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.3Å; R59-A62 PolarHBondContact O-N 2.91Å; A62-V65 PolarHBondContact O-N 3.31Å; A62-C66 WeakPolarHBondContact O-CB 3.41Å; A62-C66 PolarHBondContact O-N 3.32Å; A62-C66 PolarHBondContact O-SG 3.42Å
63	I	95.4	Very high	92	Very high	50 Å²	50	53.4 Å²	53.4	26%	0.256	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-45.1	177.1	-66.8	165.4	0	0	0	111.2	F53 R59 H60 V61 V65 C66 L67	F53-I63 HydrophobicContact CD1-CG2 4.35Å; F53-I63 HydrophobicContact CD2-CG2 4.38Å; F53-I63 HydrophobicContact CE1-CD1 4.28Å; F53-I63 HydrophobicContact CE1-CG2 3.73Å; F53-I63 HydrophobicContact CE2-CG2 3.77Å; F53-I63 HydrophobicContact CZ-CG2 3.4Å; F53-I63 VanDerWaalsContact CZ-CG2 3.4Å; R59-I63 HydrophobicContact CG-CD1 4.08Å; R59-I63 VanDerWaalsContact O-CG1 3.3Å; R59-I63 WeakPolarHBondContact O-CG1 2.95Å; R59-I63 PolarHBondContact O-N 2.95Å; H60-I63 PolarHBondContact O-N 3.36Å; V61-I63 VanDerWaalsContact C-N 3.34Å; V61-I63 PolarHBondContact O-N 3.2Å; I63-V65 PolarHBondContact O-N 3.48Å; I63-C66 PolarHBondContact O-N 3.38Å; I63-L67 HydrophobicContact CG2-CD1 3.89Å; I63-L67 HydrophobicContact CG2-CG 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.79Å
64	K	94.5	Very high	92	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-46.9	177.8	-73.5	179.5	-173.1	179.2	0	111.4	L49 D50 F53 H60 V61 L67 D68 F122	L49-K64 HydrophobicContact CB-CD 4.36Å; L49-K64 HydrophobicContact CB-CG 4.17Å; L49-K64 HydrophobicContact CD1-CB 4.24Å; L49-K64 HydrophobicContact CD1-CG 4.38Å; L49-K64 HydrophobicContact CD2-CG 4.47Å; L49-K64 WeakPolarHBondContact O-CE 3.15Å; D50-K64 IonicContact OD1-NZ 2.71Å; D50-K64 PolarHBondContact OD1-NZ 3.36Å; F53-K64 HydrophobicContact CB-CD 4.5Å; F53-K64 VanDerWaalsContact CB-CE 3.43Å; F53-K64 HydrophobicContact CB-CG 4.27Å; F53-K64 HydrophobicContact CD2-CG 4.18Å; F53-K64 WeakPolarHBondContact O-CE 3.1Å; F53-K64 PolarHBondContact O-NZ 3.06Å; H60-K64 WeakPolarHBondContact O-CB 3.17Å; H60-K64 VanDerWaalsContact O-CG 3.26Å; H60-K64 WeakPolarHBondContact O-CG 3.25Å; H60-K64 PolarHBondContact O-N 3.24Å; V61-K64 PolarHBondContact O-N 3.47Å; K64-L67 PolarHBondContact O-N 3.34Å; K64-D68 WeakPolarHBondContact O-CB 3.27Å; K64-D68 PolarHBondContact O-N 3.21Å; K64-F122 HydrophobicContact CB-CD1 4.17Å; K64-F122 HydrophobicContact CB-CD2 3.91Å; K64-F122 HydrophobicContact CB-CE1 4.27Å; K64-F122 HydrophobicContact CB-CE2 4Å; K64-F122 HydrophobicContact CB-CG 4.01Å; K64-F122 HydrophobicContact CB-CZ 4.18Å; K64-F122 HydrophobicContact CD-CB 4.37Å; K64-F122 HydrophobicContact CD-CD1 3.64Å; K64-F122 HydrophobicContact CD-CE1 4.08Å; K64-F122 HydrophobicContact CD-CG 4.03Å
65	V	95	Very high	92.1	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-48.9	177.1	175	0	0	0	0	110.2	V61 A62 I63 L67 D68 E69 T115 Q118 F122	V61-V65 HydrophobicContact CG1-CG2 4.29Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.42Å; V61-V65 PolarHBondContact O-N 2.91Å; A62-V65 PolarHBondContact O-N 3.31Å; I63-V65 PolarHBondContact O-N 3.48Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 PolarHBondContact O-N 3.33Å; V65-D68 WeakPolarHBondContact O-CB 3.41Å; V65-D68 PolarHBondContact O-N 3.33Å; V65-D68 VanDerWaalsContact O-N 3.1Å; V65-E69 HydrophobicContact CG1-CG 4.26Å; V65-E69 WeakPolarHBondContact O-CG 3.37Å; V65-E69 PolarHBondContact O-N 3.31Å; V65-T115 HydrophobicContact CG1-CG2 3.88Å; V65-Q118 HydrophobicContact CG2-CB 4.08Å; V65-F122 HydrophobicContact CG2-CD2 3.77Å; V65-F122 HydrophobicContact CG2-CE2 4.36Å
66	C	95.4	Very high	92	Very high	87 Å²	87	49.6 Å²	49.6	59%	0.588	28%	0.282	S	S	*	.	H	α-helix	trans	-59	-38.8	177.6	-70.9	0	0	0	0	113.1	A62 I63 A70	A62-C66 WeakPolarHBondContact O-CB 3.41Å; A62-C66 PolarHBondContact O-N 3.32Å; A62-C66 PolarHBondContact O-SG 3.42Å; I63-C66 PolarHBondContact O-N 3.38Å; C66-A70 WeakPolarHBondContact O-CB 3.4Å; C66-A70 PolarHBondContact O-N 3.37Å
67	L	95.1	Very high	92.1	Very high	57 Å²	57	46.7 Å²	46.7	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-68.2	-39.1	175.8	-72.2	171.7	0	0	0	111.9	W45 L49 F53 I63 K64 V65 A70 I71	W45-L67 HydrophobicContact CZ2-CB 4.21Å; L49-L67 HydrophobicContact CD2-CB 4.21Å; L49-L67 HydrophobicContact CD2-CD1 3.72Å; F53-L67 HydrophobicContact CD2-CD1 4.5Å; F53-L67 HydrophobicContact CE2-CD1 3.54Å; F53-L67 HydrophobicContact CZ-CD1 4.11Å; I63-L67 HydrophobicContact CG2-CD1 3.89Å; I63-L67 HydrophobicContact CG2-CG 4.33Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.79Å; K64-L67 PolarHBondContact O-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 PolarHBondContact O-N 3.33Å; L67-A70 PolarHBondContact O-N 3.42Å; L67-I71 HydrophobicContact CD2-CD1 4.18Å; L67-I71 WeakPolarHBondContact O-CB 3.37Å; L67-I71 PolarHBondContact O-N 3.07Å
68	D	93.4	Very high	92	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	26%	0.261	C	S	.	.	I	π-helix	trans	-62.6	-48.1	176.9	-154.9	71.2	0	0	0	111	W45 K64 V65 A70 I71 M72 A73 Q118 F122	W45-D68 PolarHBondContact NE1-OD1 3.27Å; K64-D68 WeakPolarHBondContact O-CB 3.27Å; K64-D68 PolarHBondContact O-N 3.21Å; V65-D68 WeakPolarHBondContact O-CB 3.41Å; V65-D68 PolarHBondContact O-N 3.33Å; V65-D68 VanDerWaalsContact O-N 3.1Å; D68-A70 PolarHBondContact O-N 3.12Å; D68-I71 PolarHBondContact O-N 2.79Å; D68-M72 WeakPolarHBondContact O-CA 3.43Å; D68-M72 WeakPolarHBondContact O-CB 3.44Å; D68-M72 PolarHBondContact O-N 3.13Å; D68-A73 PolarHBondContact O-N 2.99Å; D68-Q118 PolarHBondContact OD2-NE2 2.71Å; D68-F122 HydrophobicContact CB-CE2 4.39Å
69	E	93.6	Very high	91.5	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.061	24%	0.241	C	C	.	.	I	π-helix	trans	-67.5	-34.7	177.4	-60.2	-58.5	165.3	0	0	112.2	V65 P74 Y107 I111 T115	V65-E69 HydrophobicContact CG1-CG 4.26Å; V65-E69 WeakPolarHBondContact O-CG 3.37Å; V65-E69 PolarHBondContact O-N 3.31Å; E69-P74 VanDerWaalsContact O-CD 3.25Å; E69-P74 WeakPolarHBondContact O-CD 3.25Å; E69-Y107 WeakPolarHBondContact O-CE2 2.98Å; E69-Y107 PolarHBondContact O-OH 3.32Å; E69-I111 HydrophobicContact CB-CG1 4.39Å; E69-I111 WeakPolarHBondContact OE2-CA 3.35Å; E69-I111 VanDerWaalsContact OE2-CG1 3.24Å; E69-I111 WeakPolarHBondContact OE2-CG1 3.39Å; E69-T115 WeakPolarHBondContact CG-OG1 3.46Å; E69-T115 WeakPolarHBondContact OE1-CA 3.39Å; E69-T115 PolarHBondContact OE1-N 2.94Å; E69-T115 VanDerWaalsContact OE1-N 3.09Å; E69-T115 PolarHBondContact OE1-OG1 3.19Å
70	A	93.4	Very high	90.8	Very high	61 Å²	61	35.2 Å²	35.2	50%	0.504	21%	0.209	S	C	.	.	I	π-helix	trans	-79.1	-24.7	-178.5	0	0	0	0	0	114	C66 L67 D68 P74	C66-A70 WeakPolarHBondContact O-CB 3.4Å; C66-A70 PolarHBondContact O-N 3.37Å; L67-A70 PolarHBondContact O-N 3.42Å; D68-A70 PolarHBondContact O-N 3.12Å; A70-P74 VanDerWaalsContact O-CG 3.28Å; A70-P74 WeakPolarHBondContact O-CG 3.31Å
71	I	92.9	Very high	90.2	Very high	83 Å²	83	33.8 Å²	33.8	43%	0.426	20%	0.203	S	C	.	.	I	π-helix	trans	-119.2	-53.1	-171.3	-60.4	169.2	0	0	0	111.3	W45 L67 D68 P74 N75	W45-I71 HydrophobicContact CH2-CB 4.18Å; W45-I71 HydrophobicContact CH2-CD1 3.69Å; W45-I71 HydrophobicContact CH2-CG2 4.08Å; W45-I71 HydrophobicContact CZ2-CB 4.31Å; W45-I71 HydrophobicContact CZ2-CD1 4.28Å; W45-I71 HydrophobicContact CZ3-CG2 4.46Å; L67-I71 HydrophobicContact CD2-CD1 4.18Å; L67-I71 WeakPolarHBondContact O-CB 3.37Å; L67-I71 PolarHBondContact O-N 3.07Å; D68-I71 PolarHBondContact O-N 2.79Å; I71-P74 WeakPolarHBondContact O-CD 3.21Å; I71-P74 WeakPolarHBondContact O-CG 3.48Å; I71-N75 WeakPolarHBondContact O-CB 3.33Å; I71-N75 PolarHBondContact O-N 3.43Å
72	M	90.2	Very high	89.6	Confident	14 Å²	14	35.1 Å²	35.1	7%	0.069	21%	0.214	C	C	.	.	I	π-helix	trans	-78.1	-43.7	-173.9	-66.4	-57.7	-69.3	0	0	112.4	M42 W45 D68 N75 F76	M42-M72 HydrophobicContact CE-CB 4.34Å; M42-M72 HydrophobicContact CE-CE 3.69Å; M42-M72 HydrophobicContact CG-CE 4.39Å; M42-M72 HydrophobicContact SD-CE 3.55Å; M42-M72 VanDerWaalsContact SD-CE 3.55Å; W45-M72 HydrophobicContact CB-CE 4.28Å; W45-M72 HydrophobicContact CB-SD 4.29Å; W45-M72 VanDerWaalsContact CD1-CG 3.46Å; W45-M72 HydrophobicContact CD2-CG 3.78Å; W45-M72 HydrophobicContact CD2-SD 3.81Å; W45-M72 VanDerWaalsContact CE2-CG 3.48Å; W45-M72 HydrophobicContact CE3-SD 4.21Å; W45-M72 HydrophobicContact CG-CE 4.31Å; W45-M72 HydrophobicContact CG-CG 3.77Å; W45-M72 HydrophobicContact CG-SD 3.84Å; W45-M72 HydrophobicContact CZ2-CG 4.12Å; D68-M72 WeakPolarHBondContact O-CA 3.43Å; D68-M72 WeakPolarHBondContact O-CB 3.44Å; D68-M72 PolarHBondContact O-N 3.13Å; M72-N75 PolarHBondContact O-N 3.5Å; M72-F76 WeakPolarHBondContact O-CB 3.18Å; M72-F76 PolarHBondContact O-N 2.95Å
73	A	88.7	Confident	88.6	Confident	3 Å²	3	33.9 Å²	33.9	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-46.8	178.2	0	0	0	0	0	113.5	D68 N75 F76 C77 Y107 D110	D68-A73 PolarHBondContact O-N 2.99Å; A73-N75 PolarHBondContact O-N 3.4Å; A73-F76 PolarHBondContact O-N 2.9Å; A73-C77 WeakPolarHBondContact O-CB 3.43Å; A73-C77 PolarHBondContact O-N 2.92Å; A73-C77 PolarHBondContact O-SG 2.93Å; A73-Y107 HydrophobicContact CB-CD2 4.08Å; A73-Y107 HydrophobicContact CB-CE2 3.78Å; A73-D110 WeakPolarHBondContact CB-OD2 3.34Å
74	P	91.7	Very high	87.6	Confident	29 Å²	29	31.7 Å²	31.7	19%	0.188	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-36.2	176.4	24.3	-31.3	0	0	0	112.4	E69 A70 I71 C77 L78 F103 Y107	E69-P74 VanDerWaalsContact O-CD 3.25Å; E69-P74 WeakPolarHBondContact O-CD 3.25Å; A70-P74 VanDerWaalsContact O-CG 3.28Å; A70-P74 WeakPolarHBondContact O-CG 3.31Å; I71-P74 WeakPolarHBondContact O-CD 3.21Å; I71-P74 WeakPolarHBondContact O-CG 3.48Å; P74-C77 PolarHBondContact O-N 2.82Å; P74-L78 WeakPolarHBondContact O-CB 3.26Å; P74-L78 PolarHBondContact O-N 3.04Å; P74-F103 HydrophobicContact CB-CZ 3.79Å; P74-Y107 HydrophobicContact CB-CD2 4.47Å; P74-Y107 HydrophobicContact CB-CE2 4.35Å; P74-Y107 HydrophobicContact CG-CE2 4.38Å
75	N	89.7	Confident	86.8	Confident	67 Å²	67	32.3 Å²	32.3	36%	0.358	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-47.3	174.2	-179	69.4	0	0	0	111.3	I71 M72 A73 C77 L78 S79	I71-N75 WeakPolarHBondContact O-CB 3.33Å; I71-N75 PolarHBondContact O-N 3.43Å; M72-N75 PolarHBondContact O-N 3.5Å; A73-N75 PolarHBondContact O-N 3.4Å; N75-C77 VanDerWaalsContact C-N 3.32Å; N75-C77 PolarHBondContact O-N 3.36Å; N75-L78 PolarHBondContact O-N 3.29Å; N75-S79 WeakPolarHBondContact O-CB 3.44Å; N75-S79 PolarHBondContact O-N 3.38Å; N75-S79 PolarHBondContact O-OG 3.12Å; N75-S79 VanDerWaalsContact O-OG 3.07Å
76	F	83.3	Confident	85.9	Confident	35 Å²	35	37.3 Å²	37.3	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-44.3	176.8	-177.3	-96.2	0	0	0	111.3	L38 M72 A73 S79 M80	L38-F76 HydrophobicContact CD1-CD2 3.93Å; L38-F76 HydrophobicContact CD1-CE2 3.65Å; L38-F76 HydrophobicContact CD2-CD2 4.4Å; M72-F76 WeakPolarHBondContact O-CB 3.18Å; M72-F76 PolarHBondContact O-N 2.95Å; A73-F76 PolarHBondContact O-N 2.9Å; F76-S79 PolarHBondContact O-N 3.22Å; F76-M80 HydrophobicContact CE1-CG 4.14Å; F76-M80 HydrophobicContact CZ-CG 4.24Å; F76-M80 WeakPolarHBondContact O-CB 3.31Å; F76-M80 PolarHBondContact O-N 3.38Å
77	C	84.4	Confident	84.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-44.8	177.7	-71.6	0	0	0	0	112.5	A73 P74 N75 M80 L81 F103 M106	A73-C77 WeakPolarHBondContact O-CB 3.43Å; A73-C77 PolarHBondContact O-N 2.92Å; A73-C77 PolarHBondContact O-SG 2.93Å; P74-C77 PolarHBondContact O-N 2.82Å; N75-C77 VanDerWaalsContact C-N 3.32Å; N75-C77 PolarHBondContact O-N 3.36Å; C77-M80 PolarHBondContact O-N 2.84Å; C77-L81 WeakPolarHBondContact O-CG 3.21Å; C77-L81 PolarHBondContact O-N 2.93Å; C77-L81 VanDerWaalsContact O-N 3.07Å; C77-F103 HydrophobicContact CB-CD2 3.99Å; C77-F103 HydrophobicContact CB-CE2 3.59Å; C77-F103 HydrophobicContact CB-CZ 4.33Å; C77-M106 HydrophobicContact CB-CE 3.45Å; C77-M106 VanDerWaalsContact CB-CE 3.45Å; C77-M106 WeakPolarHBondContact O-CE 3.27Å
78	L	88.2	Confident	83.7	Confident	79 Å²	79	38.6 Å²	38.6	41%	0.414	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-47.7	177.6	-111	131.9	0	0	0	111.7	P74 N75 M80 L81 A82 L99 F103	P74-L78 WeakPolarHBondContact O-CB 3.26Å; P74-L78 PolarHBondContact O-N 3.04Å; N75-L78 PolarHBondContact O-N 3.29Å; L78-M80 PolarHBondContact O-N 3.04Å; L78-L81 PolarHBondContact O-N 2.94Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 3.28Å; L78-L99 HydrophobicContact CD2-CD2 4.21Å; L78-L99 HydrophobicContact CG-CD2 4.1Å; L78-F103 HydrophobicContact CB-CE2 4.41Å; L78-F103 HydrophobicContact CD1-CE2 3.72Å; L78-F103 HydrophobicContact CD1-CZ 4.17Å; L78-F103 HydrophobicContact CG-CD2 4.46Å; L78-F103 HydrophobicContact CG-CE2 3.99Å
79	S	83.1	Confident	82.9	Confident	35 Å²	35	41.5 Å²	41.5	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-47.2	177.6	-64.9	0	0	0	0	111.3	N75 F76 L81 A82 I83	N75-S79 WeakPolarHBondContact O-CB 3.44Å; N75-S79 PolarHBondContact O-N 3.38Å; N75-S79 PolarHBondContact O-OG 3.12Å; N75-S79 VanDerWaalsContact O-OG 3.07Å; F76-S79 PolarHBondContact O-N 3.22Å; S79-L81 PolarHBondContact O-N 3.24Å; S79-A82 PolarHBondContact O-N 2.98Å; S79-I83 WeakPolarHBondContact O-CB 3.36Å; S79-I83 VanDerWaalsContact O-CD1 3.29Å; S79-I83 WeakPolarHBondContact O-CD1 3.1Å; S79-I83 WeakPolarHBondContact O-CG1 3.43Å; S79-I83 PolarHBondContact O-N 3.49Å
80	M	76.6	Confident	82.3	Confident	11 Å²	11	41.9 Å²	41.9	5%	0.054	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-49	176.4	-103.3	-80.7	106.5	0	0	112.1	V24 K28 F76 C77 L78 A82 I83 V84 M106	V24-M80 HydrophobicContact CG1-SD 3.83Å; K28-M80 HydrophobicContact CD-SD 4.34Å; K28-M80 VanDerWaalsContact CE-SD 3.55Å; K28-M80 HydrophobicContact CG-CE 3.88Å; K28-M80 HydrophobicContact CG-SD 3.81Å; F76-M80 HydrophobicContact CE1-CG 4.14Å; F76-M80 HydrophobicContact CZ-CG 4.24Å; F76-M80 WeakPolarHBondContact O-CB 3.31Å; F76-M80 PolarHBondContact O-N 3.38Å; C77-M80 PolarHBondContact O-N 2.84Å; L78-M80 PolarHBondContact O-N 3.04Å; M80-A82 VanDerWaalsContact C-N 3.3Å; M80-A82 PolarHBondContact O-N 2.84Å; M80-I83 HydrophobicContact CE-CD1 4.27Å; M80-I83 HydrophobicContact CE-CG2 4.45Å; M80-I83 PolarHBondContact O-N 2.91Å; M80-V84 VanDerWaalsContact O-CG2 3.24Å; M80-V84 WeakPolarHBondContact O-CG2 3.05Å; M80-V84 PolarHBondContact O-N 2.98Å; M80-M106 HydrophobicContact CB-CE 4.24Å
81	L	80.5	Confident	82.1	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-36	179.1	-68.9	175.1	0	0	0	112.4	C77 L78 S79 N85 F95 R98 L99 F103 M106	C77-L81 WeakPolarHBondContact O-CG 3.21Å; C77-L81 PolarHBondContact O-N 2.93Å; C77-L81 VanDerWaalsContact O-N 3.07Å; L78-L81 PolarHBondContact O-N 2.94Å; S79-L81 PolarHBondContact O-N 3.24Å; L81-N85 WeakPolarHBondContact O-CB 3.44Å; L81-N85 PolarHBondContact O-N 2.91Å; L81-F95 HydrophobicContact CB-CE2 3.99Å; L81-R98 HydrophobicContact CD2-CG 3.97Å; L81-L99 HydrophobicContact CB-CD2 4.43Å; L81-L99 HydrophobicContact CD1-CD2 3.74Å; L81-F103 HydrophobicContact CD1-CB 4.1Å; L81-F103 HydrophobicContact CD1-CD2 4.13Å; L81-M106 HydrophobicContact CD1-CE 3.97Å; L81-M106 HydrophobicContact CD2-CE 4.09Å; L81-M106 HydrophobicContact CD2-SD 4.1Å; L81-M106 HydrophobicContact CG-CE 3.62Å; L81-M106 HydrophobicContact CG-SD 4.3Å
82	A	81.9	Confident	82	Confident	36 Å²	36	47.3 Å²	47.3	30%	0.298	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-46.9	177.9	0	0	0	0	0	111	L78 S79 M80 V84 N85 V86 F95	L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 3.28Å; S79-A82 PolarHBondContact O-N 2.98Å; M80-A82 VanDerWaalsContact C-N 3.3Å; M80-A82 PolarHBondContact O-N 2.84Å; A82-V84 VanDerWaalsContact C-N 3.33Å; A82-V84 PolarHBondContact O-N 3Å; A82-N85 WeakPolarHBondContact O-CB 3.08Å; A82-N85 PolarHBondContact O-N 3.5Å; A82-N85 VanDerWaalsContact O-N 3.12Å; A82-V86 WeakPolarHBondContact O-CG2 3.33Å; A82-V86 PolarHBondContact O-N 3.1Å; A82-F95 HydrophobicContact CB-CE2 3.98Å; A82-F95 HydrophobicContact CB-CZ 4.02Å
83	I	74.3	Confident	82.1	Confident	26 Å²	26	53.3 Å²	53.3	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-55.7	-50.2	174.9	-71.5	156.2	0	0	0	110	A31 D34 S79 M80 N85 V86 L87	A31-I83 HydrophobicContact CB-CG2 4.06Å; D34-I83 HydrophobicContact CB-CD1 3.76Å; D34-I83 WeakPolarHBondContact OD2-CD1 3.43Å; D34-I83 WeakPolarHBondContact OD2-CG1 3.07Å; D34-I83 WeakPolarHBondContact OD2-CG2 3.42Å; S79-I83 WeakPolarHBondContact O-CB 3.36Å; S79-I83 VanDerWaalsContact O-CD1 3.29Å; S79-I83 WeakPolarHBondContact O-CD1 3.1Å; S79-I83 WeakPolarHBondContact O-CG1 3.43Å; S79-I83 PolarHBondContact O-N 3.49Å; M80-I83 HydrophobicContact CE-CD1 4.27Å; M80-I83 HydrophobicContact CE-CG2 4.45Å; M80-I83 PolarHBondContact O-N 2.91Å; I83-N85 VanDerWaalsContact C-N 3.26Å; I83-N85 PolarHBondContact O-N 3.42Å; I83-V86 PolarHBondContact O-N 3.46Å; I83-V86 VanDerWaalsContact O-N 3.16Å; I83-L87 HydrophobicContact CG2-CD1 3.71Å; I83-L87 HydrophobicContact CG2-CG 4.15Å; I83-L87 WeakPolarHBondContact O-CB 3.26Å; I83-L87 WeakPolarHBondContact O-CG 3.37Å; I83-L87 PolarHBondContact O-N 2.94Å
84	V	73.2	Confident	82	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-42.1	178.7	174.1	0	0	0	0	110.9	Q27 M80 A82 L87 E88 R98	Q27-V84 HydrophobicContact CB-CG2 4.17Å; Q27-V84 VanDerWaalsContact CD-CG1 3.44Å; M80-V84 VanDerWaalsContact O-CG2 3.24Å; M80-V84 WeakPolarHBondContact O-CG2 3.05Å; M80-V84 PolarHBondContact O-N 2.98Å; A82-V84 VanDerWaalsContact C-N 3.33Å; A82-V84 PolarHBondContact O-N 3Å; V84-L87 PolarHBondContact O-N 3.37Å; V84-E88 HydrophobicContact CG1-CG 4.39Å; V84-E88 WeakPolarHBondContact O-CB 3.25Å; V84-E88 WeakPolarHBondContact O-CG 3.48Å; V84-E88 PolarHBondContact O-N 3.39Å; V84-R98 VanDerWaalsContact CG1-NH1 3.31Å
85	N	78.2	Confident	81.9	Confident	15 Å²	15	57 Å²	57	8%	0.08	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-43	178.1	-169.8	81.4	0	0	0	112.5	L81 A82 I83 G89 S90 T91 F95	L81-N85 WeakPolarHBondContact O-CB 3.44Å; L81-N85 PolarHBondContact O-N 2.91Å; A82-N85 WeakPolarHBondContact O-CB 3.08Å; A82-N85 PolarHBondContact O-N 3.5Å; A82-N85 VanDerWaalsContact O-N 3.12Å; I83-N85 VanDerWaalsContact C-N 3.26Å; I83-N85 PolarHBondContact O-N 3.42Å; N85-G89 PolarHBondContact O-N 3.11Å; N85-S90 PolarHBondContact ND2-O 3.35Å; N85-S90 PolarHBondContact O-N 3.4Å; N85-S90 WeakPolarHBondContact OD1-CB 3.48Å; N85-T91 PolarHBondContact OD1-O 2.97Å; N85-F95 HydrophobicContact CB-CB 4.18Å; N85-F95 HydrophobicContact CB-CD2 3.79Å; N85-F95 HydrophobicContact CB-CG 4.3Å; N85-F95 WeakPolarHBondContact OD1-CA 3.29Å; N85-F95 WeakPolarHBondContact OD1-CB 3.43Å; N85-F95 PolarHBondContact OD1-N 2.99Å
86	V	75.7	Confident	82	Confident	113 Å²	113	56 Å²	56	69%	0.685	31%	0.305	S	S	*	.	H	α-helix	trans	-63.9	-46.8	176.5	171.9	0	0	0	0	110.8	A82 I83 E88 G89	A82-V86 WeakPolarHBondContact O-CG2 3.33Å; A82-V86 PolarHBondContact O-N 3.1Å; I83-V86 PolarHBondContact O-N 3.46Å; I83-V86 VanDerWaalsContact O-N 3.16Å; V86-E88 VanDerWaalsContact C-N 3.33Å; V86-E88 PolarHBondContact O-N 2.63Å; V86-G89 PolarHBondContact O-N 3.41Å
87	L	69.5	Low	82.3	Confident	95 Å²	95	57 Å²	57	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-34.5	-180	-72.8	179.5	0	0	0	113.2	A31 I83 V84 G89	A31-L87 HydrophobicContact CB-CD1 4.04Å; I83-L87 HydrophobicContact CG2-CD1 3.71Å; I83-L87 HydrophobicContact CG2-CG 4.15Å; I83-L87 WeakPolarHBondContact O-CB 3.26Å; I83-L87 WeakPolarHBondContact O-CG 3.37Å; I83-L87 PolarHBondContact O-N 2.94Å; V84-L87 PolarHBondContact O-N 3.37Å; L87-G89 PolarHBondContact O-N 2.99Å
88	E	75.7	Confident	82.3	Confident	76 Å²	76	59.5 Å²	59.5	36%	0.355	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.6	174.2	-73.4	-179.8	-178.7	0	0	113.2	Q27 V84 V86 S90 K94 R98	Q27-E88 PolarHBondContact NE2-OE1 2.99Å; V84-E88 HydrophobicContact CG1-CG 4.39Å; V84-E88 WeakPolarHBondContact O-CB 3.25Å; V84-E88 WeakPolarHBondContact O-CG 3.48Å; V84-E88 PolarHBondContact O-N 3.39Å; V86-E88 VanDerWaalsContact C-N 3.33Å; V86-E88 PolarHBondContact O-N 2.63Å; E88-S90 WeakPolarHBondContact CB-OG 3.26Å; E88-S90 PolarHBondContact O-N 3.41Å; E88-S90 PolarHBondContact OE2-OG 3.3Å; E88-K94 IonicContact OE2-NZ 3.25Å; E88-K94 PolarHBondContact OE2-NZ 3.46Å; E88-R98 VanDerWaalsContact CD-NH2 3.27Å; E88-R98 IonicContact OE1-CZ 3.68Å; E88-R98 IonicContact OE1-NH1 3.58Å; E88-R98 IonicContact OE1-NH2 2.91Å; E88-R98 PolarHBondContact OE1-NH2 2.96Å; E88-R98 IonicContact OE2-CZ 3.3Å; E88-R98 VanDerWaalsContact OE2-CZ 3.3Å; E88-R98 IonicContact OE2-NH1 2.87Å; E88-R98 PolarHBondContact OE2-NH1 3.28Å; E88-R98 IonicContact OE2-NH2 2.82Å; E88-R98 PolarHBondContact OE2-NH2 2.88Å
89	G	76.5	Confident	82.3	Confident	69 Å²	69	57.6 Å²	57.6	71%	0.711	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	31.8	-171.9	0	0	0	0	0	112.7	N85 V86 L87	N85-G89 PolarHBondContact O-N 3.11Å; V86-G89 PolarHBondContact O-N 3.41Å; L87-G89 PolarHBondContact O-N 2.99Å
90	S	79.8	Confident	82.7	Confident	21 Å²	21	63.8 Å²	63.8	15%	0.147	34%	0.339	C	S	.	.			trans	-83.4	149.6	-173	-75.1	0	0	0	0	112.5	N85 E88 K94	N85-S90 PolarHBondContact ND2-O 3.35Å; N85-S90 PolarHBondContact O-N 3.4Å; N85-S90 WeakPolarHBondContact OD1-CB 3.48Å; E88-S90 WeakPolarHBondContact CB-OG 3.26Å; E88-S90 PolarHBondContact O-N 3.41Å; E88-S90 PolarHBondContact OE2-OG 3.3Å; S90-K94 PolarHBondContact OG-NZ 3.42Å
91	T	90.2	Very high	83.1	Confident	80 Å²	80	68.4 Å²	68.4	49%	0.491	36%	0.364	S	S	.	.			trans	-68.1	161.9	179.9	73	0	0	0	0	112.3	N85 E93 K94 F95	N85-T91 PolarHBondContact OD1-O 2.97Å; T91-E93 VanDerWaalsContact C-N 3.28Å; T91-E93 WeakPolarHBondContact CB-OE2 3.08Å; T91-E93 PolarHBondContact O-N 3.26Å; T91-E93 PolarHBondContact OG1-OE2 3.4Å; T91-K94 PolarHBondContact O-N 3.5Å; T91-K94 VanDerWaalsContact O-N 3.14Å; T91-K94 PolarHBondContact OG1-N 2.92Å; T91-F95 PolarHBondContact O-N 2.53Å
92	W	91	Very high	83.2	Confident	177 Å²	177	69.1 Å²	69.1	67%	0.67	37%	0.369	S	S	*	.	H	α-helix	trans	-60.8	-35.2	175.9	-177	-108.8	0	0	0	112.6	K94 F95 V96	W92-K94 VanDerWaalsContact C-N 3.28Å; W92-K94 PolarHBondContact O-N 3.32Å; W92-F95 HydrophobicContact CD2-CD1 4.3Å; W92-F95 HydrophobicContact CE3-CB 4.38Å; W92-F95 AromaticContact CE3-CD1 3.63Å; W92-F95 HydrophobicContact CE3-CD1 3.63Å; W92-F95 HydrophobicContact CE3-CE1 4.36Å; W92-F95 HydrophobicContact CE3-CG 4.39Å; W92-F95 AromaticContact CH2-CD1 3.62Å; W92-F95 HydrophobicContact CH2-CD1 3.62Å; W92-F95 AromaticContact CH2-CE1 3.62Å; W92-F95 HydrophobicContact CH2-CE1 3.62Å; W92-F95 HydrophobicContact CZ2-CD1 4.27Å; W92-F95 HydrophobicContact CZ2-CE1 4.5Å; W92-F95 AromaticContact CZ3-CD1 3.25Å; W92-F95 HydrophobicContact CZ3-CD1 3.25Å; W92-F95 AromaticContact CZ3-CE1 3.54Å; W92-F95 HydrophobicContact CZ3-CE1 3.54Å; W92-F95 HydrophobicContact CZ3-CG 4.3Å; W92-F95 WeakPolarHBondContact O-CB 3.19Å; W92-F95 PolarHBondContact O-N 3.44Å; W92-V96 HydrophobicContact CD2-CG2 4.43Å; W92-V96 HydrophobicContact CZ2-CG2 4.24Å; W92-V96 WeakPolarHBondContact O-CG2 2.95Å; W92-V96 PolarHBondContact O-N 3.04Å
93	E	92.7	Very high	83.5	Confident	141 Å²	141	69.6 Å²	69.6	66%	0.659	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-38.3	176.3	-54.7	89.6	-171.5	0	0	111.6	T91 V96 S97	T91-E93 VanDerWaalsContact C-N 3.28Å; T91-E93 WeakPolarHBondContact CB-OE2 3.08Å; T91-E93 PolarHBondContact O-N 3.26Å; T91-E93 PolarHBondContact OG1-OE2 3.4Å; E93-V96 PolarHBondContact O-N 2.99Å; E93-S97 WeakPolarHBondContact O-CB 3.16Å; E93-S97 PolarHBondContact O-N 3.37Å
94	K	86.8	Confident	84.1	Confident	98 Å²	98	73.8 Å²	73.8	43%	0.426	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-37.9	177.1	-171.7	170.7	167.8	-149.6	0	111.4	E88 S90 T91 W92 S97 R98	E88-K94 IonicContact OE2-NZ 3.25Å; E88-K94 PolarHBondContact OE2-NZ 3.46Å; S90-K94 PolarHBondContact OG-NZ 3.42Å; T91-K94 PolarHBondContact O-N 3.5Å; T91-K94 VanDerWaalsContact O-N 3.14Å; T91-K94 PolarHBondContact OG1-N 2.92Å; W92-K94 VanDerWaalsContact C-N 3.28Å; W92-K94 PolarHBondContact O-N 3.32Å; K94-S97 PolarHBondContact O-N 3.2Å; K94-R98 WeakPolarHBondContact O-CB 3.45Å; K94-R98 PolarHBondContact O-N 2.96Å
95	F	87.8	Confident	84.5	Confident	11 Å²	11	76.6 Å²	76.6	5%	0.048	40%	0.401	C	S	.	.	H	α-helix	trans	-58.8	-50.6	171.5	178.9	-121.6	0	0	0	112.1	L81 A82 N85 T91 W92 S97 R98 L99	L81-F95 HydrophobicContact CB-CE2 3.99Å; A82-F95 HydrophobicContact CB-CE2 3.98Å; A82-F95 HydrophobicContact CB-CZ 4.02Å; N85-F95 HydrophobicContact CB-CB 4.18Å; N85-F95 HydrophobicContact CB-CD2 3.79Å; N85-F95 HydrophobicContact CB-CG 4.3Å; N85-F95 WeakPolarHBondContact OD1-CA 3.29Å; N85-F95 WeakPolarHBondContact OD1-CB 3.43Å; N85-F95 PolarHBondContact OD1-N 2.99Å; T91-F95 PolarHBondContact O-N 2.53Å; W92-F95 HydrophobicContact CD2-CD1 4.3Å; W92-F95 HydrophobicContact CE3-CB 4.38Å; W92-F95 AromaticContact CE3-CD1 3.63Å; W92-F95 HydrophobicContact CE3-CD1 3.63Å; W92-F95 HydrophobicContact CE3-CE1 4.36Å; W92-F95 HydrophobicContact CE3-CG 4.39Å; W92-F95 AromaticContact CH2-CD1 3.62Å; W92-F95 HydrophobicContact CH2-CD1 3.62Å; W92-F95 AromaticContact CH2-CE1 3.62Å; W92-F95 HydrophobicContact CH2-CE1 3.62Å; W92-F95 HydrophobicContact CZ2-CD1 4.27Å; W92-F95 HydrophobicContact CZ2-CE1 4.5Å; W92-F95 AromaticContact CZ3-CD1 3.25Å; W92-F95 HydrophobicContact CZ3-CD1 3.25Å; W92-F95 AromaticContact CZ3-CE1 3.54Å; W92-F95 HydrophobicContact CZ3-CE1 3.54Å; W92-F95 HydrophobicContact CZ3-CG 4.3Å; W92-F95 WeakPolarHBondContact O-CB 3.19Å; W92-F95 PolarHBondContact O-N 3.44Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 3.03Å; F95-R98 WeakPolarHBondContact O-CB 3.44Å; F95-R98 PolarHBondContact O-N 2.84Å; F95-R98 VanDerWaalsContact O-N 3.12Å; F95-L99 HydrophobicContact CD1-CD1 3.93Å; F95-L99 HydrophobicContact CD2-CG 4.4Å; F95-L99 HydrophobicContact CE1-CD1 3.4Å; F95-L99 HydrophobicContact CE1-CG 4.17Å; F95-L99 HydrophobicContact CE2-CD1 4.07Å; F95-L99 HydrophobicContact CE2-CD2 4.24Å; F95-L99 HydrophobicContact CE2-CG 3.93Å; F95-L99 HydrophobicContact CZ-CD1 3.49Å; F95-L99 VanDerWaalsContact CZ-CD1 3.49Å; F95-L99 HydrophobicContact CZ-CD2 4.09Å; F95-L99 HydrophobicContact CZ-CG 3.83Å; F95-L99 PolarHBondContact O-N 3.35Å
96	V	93.4	Very high	84.6	Confident	45 Å²	45	76.3 Å²	76.3	27%	0.273	40%	0.399	S	S	.	.	H	α-helix	trans	-62.6	-40.2	180	173.8	0	0	0	0	111.3	W92 E93 R98 L99 K100	W92-V96 HydrophobicContact CD2-CG2 4.43Å; W92-V96 HydrophobicContact CZ2-CG2 4.24Å; W92-V96 WeakPolarHBondContact O-CG2 2.95Å; W92-V96 PolarHBondContact O-N 3.04Å; E93-V96 PolarHBondContact O-N 2.99Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-L99 PolarHBondContact O-N 3.47Å; V96-K100 HydrophobicContact CG1-CD 4.43Å; V96-K100 WeakPolarHBondContact O-CG 3.45Å; V96-K100 PolarHBondContact O-N 2.84Å
97	S	89.9	Confident	85	Confident	58 Å²	58	73.6 Å²	73.6	41%	0.406	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-44.8	173.6	-176.8	0	0	0	0	111.3	E93 K94 F95 K100 N101	E93-S97 WeakPolarHBondContact O-CB 3.16Å; E93-S97 PolarHBondContact O-N 3.37Å; K94-S97 PolarHBondContact O-N 3.2Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 3.03Å; S97-K100 PolarHBondContact O-N 3.43Å; S97-N101 WeakPolarHBondContact O-CB 3.42Å; S97-N101 VanDerWaalsContact O-CG 3.27Å; S97-N101 PolarHBondContact O-N 2.87Å; S97-N101 PolarHBondContact O-ND2 3.37Å; S97-N101 PolarHBondContact OG-ND2 2.97Å
98	R	83	Confident	85.9	Confident	52 Å²	52	72.6 Å²	72.6	20%	0.196	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-41.2	177.8	-171	177.1	-89.2	158.4	-11.7	112	L81 V84 E88 K94 F95 V96 K100 N101 S102	L81-R98 HydrophobicContact CD2-CG 3.97Å; V84-R98 VanDerWaalsContact CG1-NH1 3.31Å; E88-R98 VanDerWaalsContact CD-NH2 3.27Å; E88-R98 IonicContact OE1-CZ 3.68Å; E88-R98 IonicContact OE1-NH1 3.58Å; E88-R98 IonicContact OE1-NH2 2.91Å; E88-R98 PolarHBondContact OE1-NH2 2.96Å; E88-R98 IonicContact OE2-CZ 3.3Å; E88-R98 VanDerWaalsContact OE2-CZ 3.3Å; E88-R98 IonicContact OE2-NH1 2.87Å; E88-R98 PolarHBondContact OE2-NH1 3.28Å; E88-R98 IonicContact OE2-NH2 2.82Å; E88-R98 PolarHBondContact OE2-NH2 2.88Å; K94-R98 WeakPolarHBondContact O-CB 3.45Å; K94-R98 PolarHBondContact O-N 2.96Å; F95-R98 WeakPolarHBondContact O-CB 3.44Å; F95-R98 PolarHBondContact O-N 2.84Å; F95-R98 VanDerWaalsContact O-N 3.12Å; V96-R98 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.48Å; R98-N101 PolarHBondContact O-N 3.37Å; R98-S102 WeakPolarHBondContact O-CA 3.48Å; R98-S102 VanDerWaalsContact O-CB 3.24Å; R98-S102 WeakPolarHBondContact O-CB 3.26Å; R98-S102 PolarHBondContact O-N 2.78Å
99	L	89.6	Confident	86.2	Confident	39 Å²	39	69 Å²	69	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-56.4	-50.1	172	-78.4	171.9	0	0	0	111.1	L78 L81 F95 V96 N101 F103	L78-L99 HydrophobicContact CD2-CD2 4.21Å; L78-L99 HydrophobicContact CG-CD2 4.1Å; L81-L99 HydrophobicContact CB-CD2 4.43Å; L81-L99 HydrophobicContact CD1-CD2 3.74Å; F95-L99 HydrophobicContact CD1-CD1 3.93Å; F95-L99 HydrophobicContact CD2-CG 4.4Å; F95-L99 HydrophobicContact CE1-CD1 3.4Å; F95-L99 HydrophobicContact CE1-CG 4.17Å; F95-L99 HydrophobicContact CE2-CD1 4.07Å; F95-L99 HydrophobicContact CE2-CD2 4.24Å; F95-L99 HydrophobicContact CE2-CG 3.93Å; F95-L99 HydrophobicContact CZ-CD1 3.49Å; F95-L99 VanDerWaalsContact CZ-CD1 3.49Å; F95-L99 HydrophobicContact CZ-CD2 4.09Å; F95-L99 HydrophobicContact CZ-CG 3.83Å; F95-L99 PolarHBondContact O-N 3.35Å; V96-L99 PolarHBondContact O-N 3.47Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.3Å; L99-F103 HydrophobicContact CD2-CB 4.43Å; L99-F103 HydrophobicContact CD2-CD2 4.08Å; L99-F103 WeakPolarHBondContact O-CB 3.35Å; L99-F103 PolarHBondContact O-N 2.97Å
100	K	90.4	Very high	86.5	Confident	165 Å²	165	66.6 Å²	66.6	72%	0.717	33%	0.326	S	S	*	.	H	α-helix	trans	-61.7	-38.2	-178.9	-72.7	176.6	178.7	-178.8	0	113.2	V96 S97 R98	V96-K100 HydrophobicContact CG1-CD 4.43Å; V96-K100 WeakPolarHBondContact O-CG 3.45Å; V96-K100 PolarHBondContact O-N 2.84Å; S97-K100 PolarHBondContact O-N 3.43Å; R98-K100 PolarHBondContact O-N 3.48Å
101	N	85	Confident	86.9	Confident	109 Å²	109	67.7 Å²	67.7	58%	0.583	33%	0.33	S	S	*	.	H	α-helix	trans	-90.5	-31.9	-172.3	-64.4	-33.5	0	0	0	113.4	S97 R98 L99	S97-N101 WeakPolarHBondContact O-CB 3.42Å; S97-N101 VanDerWaalsContact O-CG 3.27Å; S97-N101 PolarHBondContact O-N 2.87Å; S97-N101 PolarHBondContact O-ND2 3.37Å; S97-N101 PolarHBondContact OG-ND2 2.97Å; R98-N101 PolarHBondContact O-N 3.37Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.3Å
102	S	83.2	Confident	86.7	Confident	20 Å²	20	66.6 Å²	66.6	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-114.3	-26.9	-169.1	-60.9	0	0	0	0	114.1	R98 L104 I105 M106	R98-S102 WeakPolarHBondContact O-CA 3.48Å; R98-S102 VanDerWaalsContact O-CB 3.24Å; R98-S102 WeakPolarHBondContact O-CB 3.26Å; R98-S102 PolarHBondContact O-N 2.78Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.24Å; S102-I105 PolarHBondContact O-N 3.45Å; S102-M106 WeakPolarHBondContact O-CB 3.23Å; S102-M106 PolarHBondContact O-N 3.1Å
103	F	87	Confident	86.3	Confident	47 Å²	47	60.2 Å²	60.2	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-47.6	-172.5	-179.8	-93.4	0	0	0	112.1	P74 C77 L78 L81 L99 I105 M106 Y107	P74-F103 HydrophobicContact CB-CZ 3.79Å; C77-F103 HydrophobicContact CB-CD2 3.99Å; C77-F103 HydrophobicContact CB-CE2 3.59Å; C77-F103 HydrophobicContact CB-CZ 4.33Å; L78-F103 HydrophobicContact CB-CE2 4.41Å; L78-F103 HydrophobicContact CD1-CE2 3.72Å; L78-F103 HydrophobicContact CD1-CZ 4.17Å; L78-F103 HydrophobicContact CG-CD2 4.46Å; L78-F103 HydrophobicContact CG-CE2 3.99Å; L81-F103 HydrophobicContact CD1-CB 4.1Å; L81-F103 HydrophobicContact CD1-CD2 4.13Å; L99-F103 HydrophobicContact CD2-CB 4.43Å; L99-F103 HydrophobicContact CD2-CD2 4.08Å; L99-F103 WeakPolarHBondContact O-CB 3.35Å; L99-F103 PolarHBondContact O-N 2.97Å; F103-I105 PolarHBondContact O-N 3.43Å; F103-M106 PolarHBondContact O-N 3.41Å; F103-Y107 VanDerWaalsContact O-CB 3.24Å; F103-Y107 WeakPolarHBondContact O-CB 3.42Å; F103-Y107 PolarHBondContact O-N 3.49Å
104	L	88.2	Confident	85.9	Confident	114 Å²	114	54.9 Å²	54.9	60%	0.597	28%	0.281	S	S	*	.	H	α-helix	trans	-67.2	-39.7	-175.4	-168.3	136.5	0	0	0	112.1	S102 M106 L108	S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.24Å; L104-M106 VanDerWaalsContact C-N 3.35Å; L104-L108 HydrophobicContact CD2-CD1 3.61Å; L104-L108 HydrophobicContact CD2-CG 4.34Å; L104-L108 HydrophobicContact CG-CD1 4.36Å; L104-L108 WeakPolarHBondContact O-CB 3.47Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.37Å
105	I	81.2	Confident	86.1	Confident	64 Å²	64	52 Å²	52	33%	0.328	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-45.1	174.5	-70.6	168.2	0	0	0	109.8	F20 S102 F103 S109	F20-I105 HydrophobicContact CD1-CG2 4.3Å; S102-I105 PolarHBondContact O-N 3.45Å; F103-I105 PolarHBondContact O-N 3.43Å; I105-S109 VanDerWaalsContact O-CB 3.3Å; I105-S109 WeakPolarHBondContact O-CB 3.44Å; I105-S109 PolarHBondContact O-N 3.01Å; I105-S109 PolarHBondContact O-OG 3.19Å
106	M	79.9	Confident	86.3	Confident	9 Å²	9	55 Å²	55	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-41	-179.3	-155.8	171.1	72.2	0	0	112.1	F20 L21 V24 C77 M80 L81 S102 F103 L104 S109 D110	F20-M106 HydrophobicContact CE1-CB 4.18Å; F20-M106 HydrophobicContact CE1-CG 4.25Å; F20-M106 HydrophobicContact CE1-SD 4.34Å; L21-M106 HydrophobicContact CD2-CG 4.38Å; V24-M106 HydrophobicContact CG2-SD 4.4Å; C77-M106 HydrophobicContact CB-CE 3.45Å; C77-M106 VanDerWaalsContact CB-CE 3.45Å; C77-M106 WeakPolarHBondContact O-CE 3.27Å; M80-M106 HydrophobicContact CB-CE 4.24Å; L81-M106 HydrophobicContact CD1-CE 3.97Å; L81-M106 HydrophobicContact CD2-CE 4.09Å; L81-M106 HydrophobicContact CD2-SD 4.1Å; L81-M106 HydrophobicContact CG-CE 3.62Å; L81-M106 HydrophobicContact CG-SD 4.3Å; S102-M106 WeakPolarHBondContact O-CB 3.23Å; S102-M106 PolarHBondContact O-N 3.1Å; F103-M106 PolarHBondContact O-N 3.41Å; L104-M106 VanDerWaalsContact C-N 3.35Å; M106-S109 WeakPolarHBondContact O-CB 3.32Å; M106-S109 PolarHBondContact O-N 3.16Å; M106-D110 WeakPolarHBondContact O-CB 3.35Å; M106-D110 PolarHBondContact O-N 3.42Å
107	Y	85.3	Confident	86.2	Confident	56 Å²	56	54 Å²	54	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-46.6	177.9	175.3	-118.8	0	0	0	112.6	E69 A73 P74 F103 S109 D110 I111	E69-Y107 WeakPolarHBondContact O-CE2 2.98Å; E69-Y107 PolarHBondContact O-OH 3.32Å; A73-Y107 HydrophobicContact CB-CD2 4.08Å; A73-Y107 HydrophobicContact CB-CE2 3.78Å; P74-Y107 HydrophobicContact CB-CD2 4.47Å; P74-Y107 HydrophobicContact CB-CE2 4.35Å; P74-Y107 HydrophobicContact CG-CE2 4.38Å; F103-Y107 VanDerWaalsContact O-CB 3.24Å; F103-Y107 WeakPolarHBondContact O-CB 3.42Å; F103-Y107 PolarHBondContact O-N 3.49Å; Y107-S109 PolarHBondContact O-N 3.35Å; Y107-D110 WeakPolarHBondContact O-CB 3.37Å; Y107-D110 PolarHBondContact O-N 3.37Å; Y107-I111 HydrophobicContact CD1-CD1 3.91Å; Y107-I111 HydrophobicContact CD2-CD1 4.18Å; Y107-I111 HydrophobicContact CD2-CG1 4.45Å; Y107-I111 HydrophobicContact CE1-CD1 3.44Å; Y107-I111 VanDerWaalsContact CE1-CD1 3.44Å; Y107-I111 HydrophobicContact CE2-CD1 3.7Å; Y107-I111 HydrophobicContact CE2-CG1 4.04Å; Y107-I111 HydrophobicContact CG-CD1 4.27Å; Y107-I111 WeakPolarHBondContact O-CG1 3.18Å; Y107-I111 PolarHBondContact O-N 3.16Å
108	L	86.9	Confident	86.3	Confident	73 Å²	73	51.4 Å²	51.4	38%	0.382	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-32.7	176.5	-68.6	177.5	0	0	0	112.2	F13 L104 I111 A112	F13-L108 HydrophobicContact CZ-CB 3.91Å; L104-L108 HydrophobicContact CD2-CD1 3.61Å; L104-L108 HydrophobicContact CD2-CG 4.34Å; L104-L108 HydrophobicContact CG-CD1 4.36Å; L104-L108 WeakPolarHBondContact O-CB 3.47Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.37Å; L108-I111 HydrophobicContact CD2-CD1 4.41Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-N 3.08Å
109	S	81.8	Confident	86.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-45.5	172.2	-61.2	0	0	0	0	111.7	V17 I105 M106 Y107 A112 I113	V17-S109 VanDerWaalsContact CG1-CB 3.41Å; V17-S109 WeakPolarHBondContact CG1-OG 3.13Å; V17-S109 WeakPolarHBondContact CG2-OG 3.22Å; I105-S109 VanDerWaalsContact O-CB 3.3Å; I105-S109 WeakPolarHBondContact O-CB 3.44Å; I105-S109 PolarHBondContact O-N 3.01Å; I105-S109 PolarHBondContact O-OG 3.19Å; M106-S109 WeakPolarHBondContact O-CB 3.32Å; M106-S109 PolarHBondContact O-N 3.16Å; Y107-S109 PolarHBondContact O-N 3.35Å; S109-A112 PolarHBondContact O-N 2.99Å; S109-I113 WeakPolarHBondContact O-CG1 3.3Å; S109-I113 PolarHBondContact O-N 3.23Å
110	D	83.4	Confident	87	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-50.9	179.4	-158.2	72.9	0	0	0	110.2	A73 M106 Y107 A112 I113 Y114	A73-D110 WeakPolarHBondContact CB-OD2 3.34Å; M106-D110 WeakPolarHBondContact O-CB 3.35Å; M106-D110 PolarHBondContact O-N 3.42Å; Y107-D110 WeakPolarHBondContact O-CB 3.37Å; Y107-D110 PolarHBondContact O-N 3.37Å; D110-A112 VanDerWaalsContact C-N 3.33Å; D110-A112 PolarHBondContact O-N 2.71Å; D110-I113 PolarHBondContact O-N 2.71Å; D110-I113 VanDerWaalsContact O-N 3.14Å; D110-Y114 WeakPolarHBondContact O-CB 3.24Å; D110-Y114 WeakPolarHBondContact O-CD2 3.4Å; D110-Y114 PolarHBondContact O-N 3.37Å; D110-Y114 WeakPolarHBondContact OD1-CD2 3.15Å; D110-Y114 VanDerWaalsContact OD1-CE2 3.26Å; D110-Y114 WeakPolarHBondContact OD1-CE2 3.33Å
111	I	88.3	Confident	87.2	Confident	45 Å²	45	45.7 Å²	45.7	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-53.8	-49.5	174.9	-68.7	162.7	0	0	0	111.2	E69 Y107 L108 I113 T115	E69-I111 HydrophobicContact CB-CG1 4.39Å; E69-I111 WeakPolarHBondContact OE2-CA 3.35Å; E69-I111 VanDerWaalsContact OE2-CG1 3.24Å; E69-I111 WeakPolarHBondContact OE2-CG1 3.39Å; Y107-I111 HydrophobicContact CD1-CD1 3.91Å; Y107-I111 HydrophobicContact CD2-CD1 4.18Å; Y107-I111 HydrophobicContact CD2-CG1 4.45Å; Y107-I111 HydrophobicContact CE1-CD1 3.44Å; Y107-I111 VanDerWaalsContact CE1-CD1 3.44Å; Y107-I111 HydrophobicContact CE2-CD1 3.7Å; Y107-I111 HydrophobicContact CE2-CG1 4.04Å; Y107-I111 HydrophobicContact CG-CD1 4.27Å; Y107-I111 WeakPolarHBondContact O-CG1 3.18Å; Y107-I111 PolarHBondContact O-N 3.16Å; L108-I111 HydrophobicContact CD2-CD1 4.41Å; I111-I113 PolarHBondContact O-N 2.76Å; I111-I113 VanDerWaalsContact O-N 3.17Å; I111-T115 WeakPolarHBondContact O-CB 2.98Å; I111-T115 PolarHBondContact O-N 2.84Å; I111-T115 PolarHBondContact O-OG1 2.87Å
112	A	86.2	Confident	87.5	Confident	57 Å²	57	40.7 Å²	40.7	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-31.6	-175.7	0	0	0	0	0	113	L108 S109 D110	L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-N 3.08Å; S109-A112 PolarHBondContact O-N 2.99Å; D110-A112 VanDerWaalsContact C-N 3.33Å; D110-A112 PolarHBondContact O-N 2.71Å
113	I	81.7	Confident	88	Confident	42 Å²	42	44.9 Å²	44.9	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-92.3	-48.5	-177.5	-65.3	165.7	0	0	0	111	V17 L21 S109 D110 I111 P116 V117 Y141	V17-I113 HydrophobicContact CG1-CD1 4.1Å; L21-I113 HydrophobicContact CD1-CD1 3.66Å; S109-I113 WeakPolarHBondContact O-CG1 3.3Å; S109-I113 PolarHBondContact O-N 3.23Å; D110-I113 PolarHBondContact O-N 2.71Å; D110-I113 VanDerWaalsContact O-N 3.14Å; I111-I113 PolarHBondContact O-N 2.76Å; I111-I113 VanDerWaalsContact O-N 3.17Å; I113-P116 WeakPolarHBondContact O-CD 3.43Å; I113-V117 WeakPolarHBondContact O-CG2 3.16Å; I113-Y141 HydrophobicContact CD1-CD2 4.32Å; I113-Y141 HydrophobicContact CD1-CE1 4.4Å; I113-Y141 HydrophobicContact CD1-CE2 3.58Å; I113-Y141 HydrophobicContact CG1-CE2 4.42Å; I113-Y141 HydrophobicContact CG2-CD2 4.45Å
114	Y	85.5	Confident	88.2	Confident	29 Å²	29	49.5 Å²	49.5	11%	0.114	26%	0.259	C	S	.	.	H	α-helix	trans	-86.6	-24.9	-170.2	-73.2	-77.3	0	0	0	113.5	D110 V117 Q118 V134 S138	D110-Y114 WeakPolarHBondContact O-CB 3.24Å; D110-Y114 WeakPolarHBondContact O-CD2 3.4Å; D110-Y114 PolarHBondContact O-N 3.37Å; D110-Y114 WeakPolarHBondContact OD1-CD2 3.15Å; D110-Y114 VanDerWaalsContact OD1-CE2 3.26Å; D110-Y114 WeakPolarHBondContact OD1-CE2 3.33Å; Y114-V117 CarbonylContact O-C 3.56Å; Y114-V117 PolarHBondContact O-N 2.67Å; Y114-V117 VanDerWaalsContact O-N 3.09Å; Y114-Q118 WeakPolarHBondContact O-CB 3.47Å; Y114-Q118 VanDerWaalsContact O-CG 3.27Å; Y114-Q118 WeakPolarHBondContact O-CG 3.32Å; Y114-Q118 PolarHBondContact O-N 2.83Å; Y114-V134 HydrophobicContact CD1-CG1 4.3Å; Y114-V134 HydrophobicContact CE1-CG1 4.07Å; Y114-S138 WeakPolarHBondContact CE1-OG 3.09Å; Y114-S138 PolarHBondContact OH-OG 3.23Å
115	T	91.7	Very high	88.2	Confident	39 Å²	39	46.1 Å²	46.1	24%	0.239	24%	0.241	C	C	.	.	H	α-helix	trans	-57.2	-48.9	174.9	-68.5	0	0	0	0	111.9	V65 E69 I111 V117 Q118 C119	V65-T115 HydrophobicContact CG1-CG2 3.88Å; E69-T115 WeakPolarHBondContact CG-OG1 3.46Å; E69-T115 WeakPolarHBondContact OE1-CA 3.39Å; E69-T115 PolarHBondContact OE1-N 2.94Å; E69-T115 VanDerWaalsContact OE1-N 3.09Å; E69-T115 PolarHBondContact OE1-OG1 3.19Å; I111-T115 WeakPolarHBondContact O-CB 2.98Å; I111-T115 PolarHBondContact O-N 2.84Å; I111-T115 PolarHBondContact O-OG1 2.87Å; T115-V117 VanDerWaalsContact C-N 3.34Å; T115-V117 PolarHBondContact O-N 2.74Å; T115-Q118 PolarHBondContact O-N 3.09Å; T115-C119 PolarHBondContact O-N 2.78Å; T115-C119 PolarHBondContact O-SG 3.32Å
116	P	91.8	Very high	88.4	Confident	72 Å²	72	46.2 Å²	46.2	47%	0.468	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-41.9	173.5	-23.2	32.2	0	0	0	113.4	I113 C119 I120	I113-P116 WeakPolarHBondContact O-CD 3.43Å; P116-C119 WeakPolarHBondContact O-CB 3.39Å; P116-C119 PolarHBondContact O-N 3.14Å; P116-I120 WeakPolarHBondContact O-CG1 3.46Å; P116-I120 PolarHBondContact O-N 2.92Å
117	V	90.5	Very high	88.6	Confident	24 Å²	24	47.7 Å²	47.7	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-43.9	179.1	174.6	0	0	0	0	110.2	I113 Y114 T115 I120 N121 F133 V134 A137	I113-V117 WeakPolarHBondContact O-CG2 3.16Å; Y114-V117 CarbonylContact O-C 3.56Å; Y114-V117 PolarHBondContact O-N 2.67Å; Y114-V117 VanDerWaalsContact O-N 3.09Å; T115-V117 VanDerWaalsContact C-N 3.34Å; T115-V117 PolarHBondContact O-N 2.74Å; V117-I120 PolarHBondContact O-N 3.44Å; V117-N121 VanDerWaalsContact O-CB 3.3Å; V117-N121 WeakPolarHBondContact O-CB 3.46Å; V117-N121 PolarHBondContact O-N 3.21Å; V117-F133 HydrophobicContact CG1-CD1 4.3Å; V117-F133 HydrophobicContact CG1-CE1 3.72Å; V117-F133 HydrophobicContact CG1-CZ 4.49Å; V117-V134 HydrophobicContact CG1-CG2 4.28Å; V117-A137 HydrophobicContact CG1-CB 3.98Å; V117-A137 HydrophobicContact CG2-CB 4.3Å
118	Q	93	Very high	88.6	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-70.8	-35.1	-179.3	-68.8	-69.6	27.6	0	0	112.2	Y46 V65 D68 Y114 T115 I120 N121 F122	Y46-Q118 PolarHBondContact OH-NE2 3.42Å; V65-Q118 HydrophobicContact CG2-CB 4.08Å; D68-Q118 PolarHBondContact OD2-NE2 2.71Å; Y114-Q118 WeakPolarHBondContact O-CB 3.47Å; Y114-Q118 VanDerWaalsContact O-CG 3.27Å; Y114-Q118 WeakPolarHBondContact O-CG 3.32Å; Y114-Q118 PolarHBondContact O-N 2.83Å; T115-Q118 PolarHBondContact O-N 3.09Å; Q118-I120 VanDerWaalsContact C-N 3.31Å; Q118-I120 PolarHBondContact O-N 3.18Å; Q118-N121 PolarHBondContact O-N 3.31Å; Q118-N121 PolarHBondContact OE1-ND2 2.81Å; Q118-F122 HydrophobicContact CB-CD2 4.16Å; Q118-F122 HydrophobicContact CB-CE2 4.11Å; Q118-F122 WeakPolarHBondContact O-CB 3.35Å; Q118-F122 VanDerWaalsContact O-CD2 3.23Å; Q118-F122 WeakPolarHBondContact O-CD2 3.46Å; Q118-F122 PolarHBondContact O-N 3.43Å
119	C	93.5	Very high	88.6	Confident	55 Å²	55	55.4 Å²	55.4	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-56	-46.5	169.7	-76.3	0	0	0	0	111.4	T115 P116 Y123	T115-C119 PolarHBondContact O-N 2.78Å; T115-C119 PolarHBondContact O-SG 3.32Å; P116-C119 WeakPolarHBondContact O-CB 3.39Å; P116-C119 PolarHBondContact O-N 3.14Å; C119-Y123 WeakPolarHBondContact O-CB 3.36Å; C119-Y123 PolarHBondContact O-N 3.39Å
120	I	93.7	Very high	89	Confident	82 Å²	82	56 Å²	56	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-45.2	176.4	-64.4	168.9	0	0	0	110.3	P116 V117 Q118 Y123 F124 F133	P116-I120 WeakPolarHBondContact O-CG1 3.46Å; P116-I120 PolarHBondContact O-N 2.92Å; V117-I120 PolarHBondContact O-N 3.44Å; Q118-I120 VanDerWaalsContact C-N 3.31Å; Q118-I120 PolarHBondContact O-N 3.18Å; I120-Y123 PolarHBondContact O-N 2.79Å; I120-F124 HydrophobicContact CB-CD2 4.49Å; I120-F124 HydrophobicContact CG2-CD2 3.99Å; I120-F124 WeakPolarHBondContact O-CB 3.49Å; I120-F124 PolarHBondContact O-N 2.81Å; I120-F133 HydrophobicContact CB-CE1 4.39Å; I120-F133 HydrophobicContact CB-CZ 4.34Å; I120-F133 HydrophobicContact CG2-CE1 4.14Å; I120-F133 HydrophobicContact CG2-CZ 3.78Å
121	N	92.9	Very high	89	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-51.6	-177.3	-167.9	21.3	0	0	0	112.6	V117 Q118 L125 R130 F133 V134	V117-N121 VanDerWaalsContact O-CB 3.3Å; V117-N121 WeakPolarHBondContact O-CB 3.46Å; V117-N121 PolarHBondContact O-N 3.21Å; Q118-N121 PolarHBondContact O-N 3.31Å; Q118-N121 PolarHBondContact OE1-ND2 2.81Å; N121-L125 VanDerWaalsContact O-CB 3.31Å; N121-L125 WeakPolarHBondContact O-CB 3.3Å; N121-L125 PolarHBondContact O-N 3.38Å; N121-L125 VanDerWaalsContact O-N 3.11Å; N121-R130 PolarHBondContact O-NE 2.9Å; N121-R130 WeakPolarHBondContact OD1-CA 3.49Å; N121-R130 WeakPolarHBondContact OD1-CB 3.28Å; N121-R130 WeakPolarHBondContact OD1-CD 3.44Å; N121-R130 WeakPolarHBondContact OD1-CG 3.41Å; N121-F133 HydrophobicContact CB-CD1 4.01Å; N121-F133 HydrophobicContact CB-CE1 4.18Å; N121-V134 VanDerWaalsContact ND2-CG2 3.25Å; N121-V134 WeakPolarHBondContact ND2-CG2 3.31Å
122	F	92.9	Very high	88.9	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.013	30%	0.302	C	S	.	.	H	α-helix	trans	-75.3	-27.3	-177.6	-72.3	-58.1	0	0	0	113.6	Y46 L49 V61 K64 V65 D68 Q118	Y46-F122 AromaticContact CD1-CE1 3.73Å; Y46-F122 HydrophobicContact CD1-CE1 3.73Å; Y46-F122 AromaticContact CD1-CZ 3.67Å; Y46-F122 HydrophobicContact CD1-CZ 3.67Å; Y46-F122 HydrophobicContact CE1-CE1 4.14Å; Y46-F122 AromaticContact CE1-CZ 3.68Å; Y46-F122 HydrophobicContact CE1-CZ 3.68Å; Y46-F122 HydrophobicContact CG-CE1 4.48Å; L49-F122 HydrophobicContact CD1-CE1 4.02Å; L49-F122 HydrophobicContact CD1-CZ 3.66Å; V61-F122 HydrophobicContact CG1-CB 4.02Å; V61-F122 HydrophobicContact CG2-CB 4.18Å; K64-F122 HydrophobicContact CB-CD1 4.17Å; K64-F122 HydrophobicContact CB-CD2 3.91Å; K64-F122 HydrophobicContact CB-CE1 4.27Å; K64-F122 HydrophobicContact CB-CE2 4Å; K64-F122 HydrophobicContact CB-CG 4.01Å; K64-F122 HydrophobicContact CB-CZ 4.18Å; K64-F122 HydrophobicContact CD-CB 4.37Å; K64-F122 HydrophobicContact CD-CD1 3.64Å; K64-F122 HydrophobicContact CD-CE1 4.08Å; K64-F122 HydrophobicContact CD-CG 4.03Å; V65-F122 HydrophobicContact CG2-CD2 3.77Å; V65-F122 HydrophobicContact CG2-CE2 4.36Å; D68-F122 HydrophobicContact CB-CE2 4.39Å; Q118-F122 HydrophobicContact CB-CD2 4.16Å; Q118-F122 HydrophobicContact CB-CE2 4.11Å; Q118-F122 WeakPolarHBondContact O-CB 3.35Å; Q118-F122 VanDerWaalsContact O-CD2 3.23Å; Q118-F122 WeakPolarHBondContact O-CD2 3.46Å; Q118-F122 PolarHBondContact O-N 3.43Å
123	Y	92.4	Very high	89	Confident	108 Å²	108	58.9 Å²	58.9	42%	0.424	29%	0.292	S	S	.	.	H	α-helix	trans	-82.1	-46	179.9	-167.7	-94	0	0	0	112.6	L58 V61 C119 I120	L58-Y123 HydrophobicContact CD2-CD2 3.88Å; L58-Y123 HydrophobicContact CD2-CE2 3.49Å; L58-Y123 VanDerWaalsContact CD2-CE2 3.49Å; L58-Y123 HydrophobicContact CG-CE2 4.17Å; V61-Y123 HydrophobicContact CG2-CD2 4.01Å; C119-Y123 WeakPolarHBondContact O-CB 3.36Å; C119-Y123 PolarHBondContact O-N 3.39Å; I120-Y123 PolarHBondContact O-N 2.79Å
124	F	91	Very high	89.1	Confident	145 Å²	145	57.7 Å²	57.7	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-100.2	-27.9	-171.2	-66.2	-75	0	0	0	114.3	I120	I120-F124 HydrophobicContact CB-CD2 4.49Å; I120-F124 HydrophobicContact CG2-CD2 3.99Å; I120-F124 WeakPolarHBondContact O-CB 3.49Å; I120-F124 PolarHBondContact O-N 2.81Å
125	L	89.2	Confident	89	Confident	43 Å²	43	59.8 Å²	59.8	23%	0.225	30%	0.295	C	S	.	.			trans	-101.2	133.3	-168.5	-60.3	176.5	0	0	0	112.9	N121 R130 F133	N121-L125 VanDerWaalsContact O-CB 3.31Å; N121-L125 WeakPolarHBondContact O-CB 3.3Å; N121-L125 PolarHBondContact O-N 3.38Å; N121-L125 VanDerWaalsContact O-N 3.11Å; L125-R130 HydrophobicContact CB-CG 4.04Å; L125-R130 PolarHBondContact O-NE 2.91Å; L125-R130 PolarHBondContact O-NH2 3.22Å; L125-F133 HydrophobicContact CD1-CB 3.26Å; L125-F133 HydrophobicContact CD1-CD1 3.53Å; L125-F133 HydrophobicContact CD1-CD2 3.8Å; L125-F133 HydrophobicContact CD1-CE1 4.28Å; L125-F133 HydrophobicContact CD1-CG 3.23Å
126	P	85.5	Confident	88.5	Confident	65 Å²	65	61.1 Å²	61.1	42%	0.422	31%	0.305	S	S	.	.			trans	-69.8	150.2	168.4	30.4	-33.2	0	0	0	110	R128 Y129	P126-R128 HydrophobicContact CG-CG 4.38Å; P126-R128 PolarHBondContact O-N 3.33Å; P126-Y129 HydrophobicContact CG-CD2 3.57Å; P126-Y129 HydrophobicContact CG-CE2 4.04Å; P126-Y129 PolarHBondContact O-N 3.48Å
127	T	84.5	Confident	88.1	Confident	41 Å²	41	58.9 Å²	58.9	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-45.2	-38.2	-171.9	-37.7	0	0	0	0	114.2	K47 D50 Y129 R130	K47-T127 HydrophobicContact CG-CG2 4Å; D50-T127 VanDerWaalsContact OD2-CB 3.31Å; D50-T127 WeakPolarHBondContact OD2-CB 3.4Å; D50-T127 WeakPolarHBondContact OD2-CG2 3.22Å; D50-T127 PolarHBondContact OD2-OG1 2.91Å; T127-Y129 VanDerWaalsContact C-N 3.29Å; T127-Y129 PolarHBondContact O-N 3.29Å; T127-R130 PolarHBondContact O-N 2.87Å
128	R	85	Confident	87.5	Confident	176 Å²	176	59 Å²	59	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-62.9	-27.6	-177.8	67.4	-176.3	-177.6	-174.3	3.7	114.8	P126	P126-R128 HydrophobicContact CG-CG 4.38Å; P126-R128 PolarHBondContact O-N 3.33Å
129	Y	86.5	Confident	86.5	Confident	114 Å²	114	61.1 Å²	61.1	45%	0.447	31%	0.313	S	S	.	.	H	α-helix	trans	-103.4	-8.2	-177.2	-59.3	-52.5	0	0	0	113.5	P126 T127 T131 V132 F133	P126-Y129 HydrophobicContact CG-CD2 3.57Å; P126-Y129 HydrophobicContact CG-CE2 4.04Å; P126-Y129 PolarHBondContact O-N 3.48Å; T127-Y129 VanDerWaalsContact C-N 3.29Å; T127-Y129 PolarHBondContact O-N 3.29Å; Y129-T131 PolarHBondContact O-N 3.42Å; Y129-V132 PolarHBondContact O-N 2.9Å; Y129-F133 PolarHBondContact O-N 2.66Å
130	R	89.6	Confident	85.8	Confident	13 Å²	13	63.9 Å²	63.9	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-47.2	-171.9	-67.1	-151.7	-170.7	131.8	3.5	113.6	Y46 D50 N121 L125 T127 V132 F133 V134	Y46-R130 HydrophobicContact CD2-CB 3.78Å; Y46-R130 HydrophobicContact CE2-CB 4.01Å; D50-R130 IonicContact OD1-CZ 3.32Å; D50-R130 VanDerWaalsContact OD1-CZ 3.32Å; D50-R130 IonicContact OD1-NH1 2.76Å; D50-R130 PolarHBondContact OD1-NH1 3.42Å; D50-R130 IonicContact OD1-NH2 2.97Å; D50-R130 PolarHBondContact OD1-NH2 3.43Å; D50-R130 IonicContact OD2-CZ 3.32Å; D50-R130 IonicContact OD2-NH1 2.71Å; D50-R130 PolarHBondContact OD2-NH1 3.09Å; D50-R130 IonicContact OD2-NH2 3.37Å; D50-R130 PolarHBondContact OD2-NH2 3.29Å; N121-R130 PolarHBondContact O-NE 2.9Å; N121-R130 WeakPolarHBondContact OD1-CA 3.49Å; N121-R130 WeakPolarHBondContact OD1-CB 3.28Å; N121-R130 WeakPolarHBondContact OD1-CD 3.44Å; N121-R130 WeakPolarHBondContact OD1-CG 3.41Å; L125-R130 HydrophobicContact CB-CG 4.04Å; L125-R130 PolarHBondContact O-NE 2.91Å; L125-R130 PolarHBondContact O-NH2 3.22Å; T127-R130 PolarHBondContact O-N 2.87Å; R130-V132 PolarHBondContact O-N 3.08Å; R130-F133 PolarHBondContact O-N 3.07Å; R130-V134 WeakPolarHBondContact O-CG2 3.5Å; R130-V134 PolarHBondContact O-N 3.32Å
131	T	84.6	Confident	84.7	Confident	20 Å²	20	62.2 Å²	62.2	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-45.9	178.5	-49.2	0	0	0	0	110.9	Y129 F133 V134 Y135	Y129-T131 PolarHBondContact O-N 3.42Å; T131-F133 VanDerWaalsContact C-N 3.33Å; T131-F133 PolarHBondContact O-N 3.37Å; T131-V134 PolarHBondContact O-N 3.11Å; T131-Y135 HydrophobicContact CG2-CD2 3.77Å; T131-Y135 HydrophobicContact CG2-CE2 3.76Å; T131-Y135 VanDerWaalsContact O-CD2 3.25Å; T131-Y135 WeakPolarHBondContact O-CD2 3.33Å; T131-Y135 PolarHBondContact O-N 2.94Å
132	V	85.1	Confident	83.5	Confident	102 Å²	102	65.5 Å²	65.5	62%	0.618	33%	0.33	S	S	*	.	H	α-helix	trans	-63.2	-41.3	-180	-177.2	0	0	0	0	111.2	Y129 R130 Y135 S136	Y129-V132 PolarHBondContact O-N 2.9Å; R130-V132 PolarHBondContact O-N 3.08Å; V132-Y135 PolarHBondContact O-N 2.87Å; V132-S136 WeakPolarHBondContact O-CB 3.14Å; V132-S136 PolarHBondContact O-N 3.22Å; V132-S136 PolarHBondContact O-OG 3.13Å
133	F	88.2	Confident	82.5	Confident	59 Å²	59	69.3 Å²	69.3	26%	0.259	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-50.1	177.2	173.6	-104.9	0	0	0	112.2	V117 I120 N121 L125 Y129 R130 T131 Y135 S136 A137	V117-F133 HydrophobicContact CG1-CD1 4.3Å; V117-F133 HydrophobicContact CG1-CE1 3.72Å; V117-F133 HydrophobicContact CG1-CZ 4.49Å; I120-F133 HydrophobicContact CB-CE1 4.39Å; I120-F133 HydrophobicContact CB-CZ 4.34Å; I120-F133 HydrophobicContact CG2-CE1 4.14Å; I120-F133 HydrophobicContact CG2-CZ 3.78Å; N121-F133 HydrophobicContact CB-CD1 4.01Å; N121-F133 HydrophobicContact CB-CE1 4.18Å; L125-F133 HydrophobicContact CD1-CB 3.26Å; L125-F133 HydrophobicContact CD1-CD1 3.53Å; L125-F133 HydrophobicContact CD1-CD2 3.8Å; L125-F133 HydrophobicContact CD1-CE1 4.28Å; L125-F133 HydrophobicContact CD1-CG 3.23Å; Y129-F133 PolarHBondContact O-N 2.66Å; R130-F133 PolarHBondContact O-N 3.07Å; T131-F133 VanDerWaalsContact C-N 3.33Å; T131-F133 PolarHBondContact O-N 3.37Å; F133-Y135 VanDerWaalsContact C-N 3.29Å; F133-Y135 PolarHBondContact O-N 3.07Å; F133-S136 WeakPolarHBondContact CA-OG 3.3Å; F133-S136 PolarHBondContact O-N 3.09Å; F133-S136 VanDerWaalsContact O-N 3.11Å; F133-S136 PolarHBondContact O-OG 3.44Å; F133-A137 PolarHBondContact O-N 2.9Å
134	V	84.6	Confident	81.6	Confident	18 Å²	18	68.4 Å²	68.4	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-43.2	178.3	175.3	0	0	0	0	110.5	Y114 V117 N121 R130 T131 S136 A137 S138	Y114-V134 HydrophobicContact CD1-CG1 4.3Å; Y114-V134 HydrophobicContact CE1-CG1 4.07Å; V117-V134 HydrophobicContact CG1-CG2 4.28Å; N121-V134 VanDerWaalsContact ND2-CG2 3.25Å; N121-V134 WeakPolarHBondContact ND2-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.5Å; R130-V134 PolarHBondContact O-N 3.32Å; T131-V134 PolarHBondContact O-N 3.11Å; V134-S136 VanDerWaalsContact C-N 3.35Å; V134-S136 PolarHBondContact O-N 3.29Å; V134-A137 WeakPolarHBondContact O-CB 3.35Å; V134-A137 PolarHBondContact O-N 2.92Å; V134-S138 PolarHBondContact O-N 2.9Å; V134-S138 PolarHBondContact O-OG 3.37Å
135	Y	82.2	Confident	80.3	Confident	73 Å²	73	61.6 Å²	61.6	29%	0.286	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-39.7	174.9	-90	-68.4	0	0	0	113.5	T35 S39 T131 V132 F133 A137 S138 A139	T35-Y135 HydrophobicContact CG2-CE1 3.68Å; T35-Y135 PolarHBondContact O-OH 2.9Å; T35-Y135 VanDerWaalsContact O-OH 3.04Å; S39-Y135 PolarHBondContact N-OH 3.25Å; S39-Y135 WeakPolarHBondContact OG-CE2 3.5Å; S39-Y135 PolarHBondContact OG-OH 3.03Å; T131-Y135 HydrophobicContact CG2-CD2 3.77Å; T131-Y135 HydrophobicContact CG2-CE2 3.76Å; T131-Y135 VanDerWaalsContact O-CD2 3.25Å; T131-Y135 WeakPolarHBondContact O-CD2 3.33Å; T131-Y135 PolarHBondContact O-N 2.94Å; V132-Y135 PolarHBondContact O-N 2.87Å; F133-Y135 VanDerWaalsContact C-N 3.29Å; F133-Y135 PolarHBondContact O-N 3.07Å; Y135-A137 VanDerWaalsContact C-N 3.34Å; Y135-S138 PolarHBondContact O-N 3.21Å; Y135-A139 WeakPolarHBondContact O-CB 3.19Å; Y135-A139 PolarHBondContact O-N 2.86Å
136	S	82.3	Confident	79.2	Confident	66 Å²	66	61.5 Å²	61.5	46%	0.462	33%	0.331	S	S	.	.	H	α-helix	trans	-65.7	-38.2	176.1	69.6	0	0	0	0	111.9	V132 F133 V134 A139 L140	V132-S136 WeakPolarHBondContact O-CB 3.14Å; V132-S136 PolarHBondContact O-N 3.22Å; V132-S136 PolarHBondContact O-OG 3.13Å; F133-S136 WeakPolarHBondContact CA-OG 3.3Å; F133-S136 PolarHBondContact O-N 3.09Å; F133-S136 VanDerWaalsContact O-N 3.11Å; F133-S136 PolarHBondContact O-OG 3.44Å; V134-S136 VanDerWaalsContact C-N 3.35Å; V134-S136 PolarHBondContact O-N 3.29Å; S136-A139 PolarHBondContact O-N 3.26Å; S136-L140 WeakPolarHBondContact O-CB 3.39Å; S136-L140 PolarHBondContact O-N 3.45Å
137	A	83	Confident	78.3	Confident	25 Å²	25	65 Å²	65	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-43.6	174	0	0	0	0	0	111.2	V117 F133 V134 Y135 A139 L140 Y141	V117-A137 HydrophobicContact CG1-CB 3.98Å; V117-A137 HydrophobicContact CG2-CB 4.3Å; F133-A137 PolarHBondContact O-N 2.9Å; V134-A137 WeakPolarHBondContact O-CB 3.35Å; V134-A137 PolarHBondContact O-N 2.92Å; Y135-A137 VanDerWaalsContact C-N 3.34Å; A137-A139 VanDerWaalsContact C-N 3.35Å; A137-A139 PolarHBondContact O-N 3.02Å; A137-L140 PolarHBondContact O-N 3.27Å; A137-Y141 WeakPolarHBondContact O-CB 3.45Å; A137-Y141 PolarHBondContact O-N 3.45Å
138	S	78.3	Confident	77.4	Confident	27 Å²	27	65.9 Å²	65.9	19%	0.189	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-40.2	174.2	-58	0	0	0	0	112.3	Y114 V134 Y135 Y141 L142	Y114-S138 WeakPolarHBondContact CE1-OG 3.09Å; Y114-S138 PolarHBondContact OH-OG 3.23Å; V134-S138 PolarHBondContact O-N 2.9Å; V134-S138 PolarHBondContact O-OG 3.37Å; Y135-S138 PolarHBondContact O-N 3.21Å; S138-Y141 PolarHBondContact O-N 2.86Å; S138-L142 VanDerWaalsContact O-CB 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.2Å; S138-L142 PolarHBondContact O-N 2.94Å
139	A	72.4	Confident	76.3	Confident	49 Å²	49	59.2 Å²	59.2	41%	0.405	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-41.7	177.4	0	0	0	0	0	111.8	Y135 S136 A137 L142 C143	Y135-A139 WeakPolarHBondContact O-CB 3.19Å; Y135-A139 PolarHBondContact O-N 2.86Å; S136-A139 PolarHBondContact O-N 3.26Å; A137-A139 VanDerWaalsContact C-N 3.35Å; A137-A139 PolarHBondContact O-N 3.02Å; A139-L142 WeakPolarHBondContact O-CB 3.16Å; A139-L142 PolarHBondContact O-N 3.46Å; A139-C143 PolarHBondContact O-N 2.7Å; A139-C143 PolarHBondContact O-SG 3.09Å; A139-C143 VanDerWaalsContact O-SG 3.35Å
140	L	77.1	Confident	75.2	Confident	113 Å²	113	60.6 Å²	60.6	59%	0.592	33%	0.327	S	S	*	.	H	α-helix	trans	-62.9	-45.4	174.7	-178.6	63.4	0	0	0	111.1	S136 A137 L142 C143 I144	S136-L140 WeakPolarHBondContact O-CB 3.39Å; S136-L140 PolarHBondContact O-N 3.45Å; A137-L140 PolarHBondContact O-N 3.27Å; L140-L142 VanDerWaalsContact C-N 3.29Å; L140-L142 PolarHBondContact O-N 3.35Å; L140-C143 PolarHBondContact O-N 3.09Å; L140-I144 HydrophobicContact CD1-CD1 4.36Å; L140-I144 HydrophobicContact CG-CD1 4.11Å; L140-I144 WeakPolarHBondContact O-CG1 3.14Å; L140-I144 PolarHBondContact O-N 3.13Å
141	Y	71.6	Confident	73.8	Confident	46 Å²	46	66.1 Å²	66.1	18%	0.18	35%	0.353	C	S	.	.	H	α-helix	trans	-57.5	-44.2	173.9	178.5	-96.5	0	0	0	111.5	L21 M25 I113 A137 S138 C143 I144 A145	L21-Y141 HydrophobicContact CB-CE1 4.34Å; L21-Y141 WeakPolarHBondContact CB-OH 3.49Å; L21-Y141 HydrophobicContact CD1-CE1 4.13Å; L21-Y141 WeakPolarHBondContact CD1-OH 3.47Å; M25-Y141 HydrophobicContact SD-CD1 4.22Å; M25-Y141 HydrophobicContact SD-CE1 4.18Å; I113-Y141 HydrophobicContact CD1-CD2 4.32Å; I113-Y141 HydrophobicContact CD1-CE1 4.4Å; I113-Y141 HydrophobicContact CD1-CE2 3.58Å; I113-Y141 HydrophobicContact CG1-CE2 4.42Å; I113-Y141 HydrophobicContact CG2-CD2 4.45Å; A137-Y141 WeakPolarHBondContact O-CB 3.45Å; A137-Y141 PolarHBondContact O-N 3.45Å; S138-Y141 PolarHBondContact O-N 2.86Å; Y141-C143 PolarHBondContact O-N 2.98Å; Y141-I144 PolarHBondContact O-N 3.29Å; Y141-A145 PolarHBondContact O-N 3.43Å
142	L	68.5	Low	72.2	Confident	70 Å²	70	73.4 Å²	73.4	37%	0.366	39%	0.385	S	S	.	.	H	α-helix	trans	-57.5	-48.9	177.1	174.1	69.9	0	0	0	111.6	M25 S138 A139 L140 I144 A145 S146	M25-L142 HydrophobicContact CB-CD1 3.7Å; M25-L142 HydrophobicContact CE-CB 4.26Å; M25-L142 HydrophobicContact CE-CD1 3.46Å; M25-L142 VanDerWaalsContact CE-CD1 3.46Å; M25-L142 HydrophobicContact CE-CG 4.29Å; M25-L142 WeakPolarHBondContact CE-O 3.36Å; M25-L142 HydrophobicContact CG-CD1 3.91Å; M25-L142 VanDerWaalsContact SD-CA 3.55Å; M25-L142 HydrophobicContact SD-CB 3.81Å; M25-L142 HydrophobicContact SD-CD1 3.15Å; M25-L142 WeakPolarHBondContact SD-CD1 3.33Å; M25-L142 HydrophobicContact SD-CG 4.03Å; S138-L142 VanDerWaalsContact O-CB 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.2Å; S138-L142 PolarHBondContact O-N 2.94Å; A139-L142 WeakPolarHBondContact O-CB 3.16Å; A139-L142 PolarHBondContact O-N 3.46Å; L140-L142 VanDerWaalsContact C-N 3.29Å; L140-L142 PolarHBondContact O-N 3.35Å; L142-I144 VanDerWaalsContact C-N 3.35Å; L142-I144 PolarHBondContact O-N 2.73Å; L142-A145 PolarHBondContact O-N 3.44Å; L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.39Å; L142-S146 PolarHBondContact O-OG 3.02Å; L142-S146 VanDerWaalsContact O-OG 3.1Å
143	C	71.4	Confident	70.4	Confident	83 Å²	83	73.8 Å²	73.8	56%	0.561	38%	0.377	S	S	*	.	H	α-helix	trans	-59.6	-43.6	177.3	-70.6	0	0	0	0	112.7	A139 L140 Y141 Y147	A139-C143 PolarHBondContact O-N 2.7Å; A139-C143 PolarHBondContact O-SG 3.09Å; A139-C143 VanDerWaalsContact O-SG 3.35Å; L140-C143 PolarHBondContact O-N 3.09Å; Y141-C143 PolarHBondContact O-N 2.98Å; C143-Y147 WeakPolarHBondContact O-CB 3.45Å; C143-Y147 PolarHBondContact O-N 3.17Å
144	I	72.6	Confident	68.3	Low	89 Å²	89	74.9 Å²	74.9	46%	0.456	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-47.1	-178.9	-67.6	166.7	0	0	0	110.8	L140 Y141 L142 Y147 N148	L140-I144 HydrophobicContact CD1-CD1 4.36Å; L140-I144 HydrophobicContact CG-CD1 4.11Å; L140-I144 WeakPolarHBondContact O-CG1 3.14Å; L140-I144 PolarHBondContact O-N 3.13Å; Y141-I144 PolarHBondContact O-N 3.29Å; L142-I144 VanDerWaalsContact C-N 3.35Å; L142-I144 PolarHBondContact O-N 2.73Å; I144-Y147 WeakPolarHBondContact O-CB 3.22Å; I144-Y147 PolarHBondContact O-N 3.29Å; I144-N148 PolarHBondContact O-N 3.3Å; I144-N148 VanDerWaalsContact O-N 3.09Å; I144-N148 PolarHBondContact O-ND2 2.8Å
145	A	65.1	Low	66.8	Low	2 Å²	2	78.3 Å²	78.3	2%	0.017	41%	0.414	C	S	.	.	H	α-helix	trans	-68.4	-39	-179.1	0	0	0	0	0	112.1	M25 Y141 L142 Y147 N148 E149	M25-A145 HydrophobicContact CE-CB 3.28Å; Y141-A145 PolarHBondContact O-N 3.43Å; L142-A145 PolarHBondContact O-N 3.44Å; A145-Y147 VanDerWaalsContact C-N 3.29Å; A145-Y147 PolarHBondContact O-N 3.28Å; A145-N148 PolarHBondContact O-N 2.96Å; A145-N148 VanDerWaalsContact O-N 3.16Å; A145-E149 PolarHBondContact O-N 3.45Å
146	S	65.2	Low	65.2	Low	41 Å²	41	80.9 Å²	80.9	29%	0.287	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-36.8	172.7	-64.4	0	0	0	0	113.1	L142 E149 Q150	L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.39Å; L142-S146 PolarHBondContact O-OG 3.02Å; L142-S146 VanDerWaalsContact O-OG 3.1Å; S146-E149 PolarHBondContact O-N 2.95Å; S146-Q150 PolarHBondContact O-N 3.33Å
147	Y	67.2	Low	63.6	Low	137 Å²	137	81.8 Å²	81.8	54%	0.537	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-41.8	174.8	178.5	-98	0	0	0	112.1	C143 I144 A145 Q150 Q151	C143-Y147 WeakPolarHBondContact O-CB 3.45Å; C143-Y147 PolarHBondContact O-N 3.17Å; I144-Y147 WeakPolarHBondContact O-CB 3.22Å; I144-Y147 PolarHBondContact O-N 3.29Å; A145-Y147 VanDerWaalsContact C-N 3.29Å; A145-Y147 PolarHBondContact O-N 3.28Å; Y147-Q150 PolarHBondContact O-N 3.3Å; Y147-Q151 PolarHBondContact O-N 3.43Å; Y147-Q151 PolarHBondContact OH-NE2 2.92Å
148	N	64.9	Low	62.1	Low	61 Å²	61	87.4 Å²	87.4	33%	0.326	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-38.6	178.1	-66.5	-31.5	0	0	0	112.1	I144 A145 Q151 H152	I144-N148 PolarHBondContact O-N 3.3Å; I144-N148 VanDerWaalsContact O-N 3.09Å; I144-N148 PolarHBondContact O-ND2 2.8Å; A145-N148 PolarHBondContact O-N 2.96Å; A145-N148 VanDerWaalsContact O-N 3.16Å; N148-Q151 PolarHBondContact O-N 2.84Å; N148-H152 PolarHBondContact O-N 3.44Å
149	E	62.4	Low	60.8	Low	35 Å²	35	91.6 Å²	91.6	16%	0.164	47%	0.469	C	S	.	.	H	α-helix	trans	-64.6	-39	175.6	-73.9	-168.9	149	0	0	113.1	G22 D23 A145 S146 Q151 H152 Y153	G22-E149 WeakPolarHBondContact CA-OE1 3.24Å; D23-E149 PolarHBondContact N-OE1 2.79Å; A145-E149 PolarHBondContact O-N 3.45Å; S146-E149 PolarHBondContact O-N 2.95Å; E149-Q151 PolarHBondContact O-N 3.27Å; E149-H152 PolarHBondContact O-N 2.99Å; E149-Y153 PolarHBondContact O-N 2.86Å; E149-Y153 VanDerWaalsContact O-N 3.16Å
150	Q	62.8	Low	59.8	Low	143 Å²	143	94 Å²	94	67%	0.668	48%	0.475	S	S	*	.	H	α-helix	trans	-61.8	-27.7	177.3	-79.2	-173.8	-6.3	0	0	112.8	S146 Y147	S146-Q150 PolarHBondContact O-N 3.33Å; Y147-Q150 PolarHBondContact O-N 3.3Å
151	Q	59.6	Low	58.5	Low	130 Å²	130	93.1 Å²	93.1	61%	0.607	47%	0.471	S	S	*	.	H	α-helix	trans	-76.8	-23.5	174.1	-74.9	-168.9	-19.3	0	0	113.4	Y147 N148 E149	Y147-Q151 PolarHBondContact O-N 3.43Å; Y147-Q151 PolarHBondContact OH-NE2 2.92Å; N148-Q151 PolarHBondContact O-N 2.84Å; E149-Q151 PolarHBondContact O-N 3.27Å
152	H	52.4	Low	57.4	Low	172 Å²	172	100.4 Å²	100.4	80%	0.796	50%	0.498	S	S	*	.	H	α-helix	trans	-99.1	-5	-177.4	-115.5	42.7	0	0	0	114.9	N148 E149 P154	N148-H152 PolarHBondContact O-N 3.44Å; E149-H152 PolarHBondContact O-N 2.99Å; H152-P154 VanDerWaalsContact O-CD 3.26Å; H152-P154 WeakPolarHBondContact O-CD 3.44Å
153	Y	46	Very low	56.5	Low	111 Å²	111	103.4 Å²	103.4	44%	0.435	51%	0.508	S	S	.	.	S	Bend	trans	-65.3	117.2	174.6	-116.5	-76.7	0	0	0	111.2	E149 S155 M157	E149-Y153 PolarHBondContact O-N 2.86Å; E149-Y153 VanDerWaalsContact O-N 3.16Å; Y153-S155 PolarHBondContact O-N 3.45Å; Y153-M157 HydrophobicContact CD1-CB 3.38Å; Y153-M157 HydrophobicContact CD1-CG 3.89Å; Y153-M157 HydrophobicContact CE1-CB 3.34Å; Y153-M157 HydrophobicContact CE1-CE 3.78Å; Y153-M157 HydrophobicContact CE1-CG 3.3Å; Y153-M157 HydrophobicContact CE1-SD 3.72Å; Y153-M157 WeakPolarHBondContact OH-CE 3.28Å
154	P	45.2	Very low	55	Low	82 Å²	82	105.4 Å²	105.4	53%	0.532	51%	0.512	S	S	.	.			trans	-62.7	138.2	174.2	25	-30.4	0	0	0	108.7	H152 I156 M157	H152-P154 VanDerWaalsContact O-CD 3.26Å; H152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-I156 PolarHBondContact O-N 3.43Å; P154-M157 PolarHBondContact O-N 3.21Å
155	S	51.6	Low	53.5	Low	90 Å²	90	111.7 Å²	111.7	63%	0.629	53%	0.531	S	S	*	.	H	α-helix	trans	-46.4	-19	-179	42.3	0	0	0	0	115.2	Y153 M157 K158 L159	Y153-S155 PolarHBondContact O-N 3.45Å; S155-M157 PolarHBondContact O-N 2.95Å; S155-K158 PolarHBondContact O-N 3.47Å; S155-L159 PolarHBondContact O-N 2.9Å
156	I	49.1	Very low	52.7	Low	126 Å²	126	119.3 Å²	119.3	65%	0.646	57%	0.566	S	S	*	*	H	α-helix	trans	-62.8	-37.4	177.6	-51.7	174.9	0	0	0	112.4	P154 L159 N160	P154-I156 PolarHBondContact O-N 3.43Å; I156-L159 WeakPolarHBondContact O-CB 3.41Å; I156-L159 PolarHBondContact O-N 3.34Å; I156-N160 PolarHBondContact O-N 3.44Å
157	M	48.8	Very low	51.5	Low	86 Å²	86	130.3 Å²	130.3	42%	0.424	60%	0.603	S	S	.	*	H	α-helix	trans	-75.5	-33.2	179.5	-156.9	98.2	146.6	0	0	112.5	Y153 P154 S155 L159 N160 L161	Y153-M157 HydrophobicContact CD1-CB 3.38Å; Y153-M157 HydrophobicContact CD1-CG 3.89Å; Y153-M157 HydrophobicContact CE1-CB 3.34Å; Y153-M157 HydrophobicContact CE1-CE 3.78Å; Y153-M157 HydrophobicContact CE1-CG 3.3Å; Y153-M157 HydrophobicContact CE1-SD 3.72Å; Y153-M157 WeakPolarHBondContact OH-CE 3.28Å; P154-M157 PolarHBondContact O-N 3.21Å; S155-M157 PolarHBondContact O-N 2.95Å; M157-L159 PolarHBondContact O-N 3.12Å; M157-N160 PolarHBondContact O-N 2.9Å; M157-L161 PolarHBondContact O-N 2.97Å
158	K	51.7	Low	50.7	Low	142 Å²	142	130 Å²	130	62%	0.617	61%	0.606	S	S	*	*	H	α-helix	trans	-61.6	-31.1	171.9	-76.5	-175.2	178.9	174.6	0	111.4	S155 R162	S155-K158 PolarHBondContact O-N 3.47Å; K158-R162 PolarHBondContact O-N 3.45Å
159	L	52.1	Low	50	Low	116 Å²	116	133.6 Å²	133.6	61%	0.607	62%	0.621	S	S	*	*	H	α-helix	trans	-70	-42.8	174	-114.8	96.3	0	0	0	112.5	S155 I156 M157 K163	S155-L159 PolarHBondContact O-N 2.9Å; I156-L159 WeakPolarHBondContact O-CB 3.41Å; I156-L159 PolarHBondContact O-N 3.34Å; M157-L159 PolarHBondContact O-N 3.12Å; L159-K163 PolarHBondContact O-N 2.98Å
160	N	51.1	Low	49.3	Very low	99 Å²	99	139.1 Å²	139.1	53%	0.529	65%	0.646	S	S	.	*	H	α-helix	trans	-70.6	-37.8	-179.2	-106.6	-5.6	0	0	0	112.9	I156 M157 K163 L164	I156-N160 PolarHBondContact O-N 3.44Å; M157-N160 PolarHBondContact O-N 2.9Å; N160-K163 PolarHBondContact O-N 3.38Å; N160-L164 WeakPolarHBondContact O-CG 3.29Å; N160-L164 PolarHBondContact O-N 3.38Å; N160-L164 VanDerWaalsContact O-N 3.13Å
161	L	49.4	Very low	48.5	Very low	95 Å²	95	138.8 Å²	138.8	50%	0.497	65%	0.645	S	S	.	*	H	α-helix	trans	-66.5	-38.4	175.5	-73.1	168.9	0	0	0	112.1	M157 K163 L164 W165	M157-L161 PolarHBondContact O-N 2.97Å; L161-K163 VanDerWaalsContact C-N 3.28Å; L161-K163 PolarHBondContact O-N 2.88Å; L161-L164 HydrophobicContact CD2-CD1 4.49Å; L161-L164 PolarHBondContact O-N 2.99Å; L161-W165 VanDerWaalsContact O-CD1 3.32Å; L161-W165 PolarHBondContact O-N 3.48Å
162	R	47.8	Very low	47.8	Very low	199 Å²	199	139.4 Å²	139.4	75%	0.751	65%	0.647	S	S	*	*	H	α-helix	trans	-62.3	-34.3	173	-82.5	-170.4	-171.7	-155.8	2.2	113	K158 Q166	K158-R162 PolarHBondContact O-N 3.45Å; R162-Q166 WeakPolarHBondContact O-CG 3.47Å
163	K	49.9	Very low	47.5	Very low	132 Å²	132	137.2 Å²	137.2	57%	0.574	64%	0.637	S	S	*	*	H	α-helix	trans	-70	-33.5	175.6	-79.9	-173.8	175	-177.2	0	113.1	L159 N160 L161 W165 Q166	L159-K163 PolarHBondContact O-N 2.98Å; N160-K163 PolarHBondContact O-N 3.38Å; L161-K163 VanDerWaalsContact C-N 3.28Å; L161-K163 PolarHBondContact O-N 2.88Å; K163-W165 VanDerWaalsContact C-N 3.32Å; K163-W165 PolarHBondContact O-N 3.11Å; K163-Q166 PolarHBondContact O-N 3.22Å
164	L	39.5	Very low	47.6	Very low	125 Å²	125	139.1 Å²	139.1	65%	0.654	65%	0.652	S	S	*	*	H	α-helix	trans	-73.1	-20.5	179.8	-73.8	167.7	0	0	0	113.9	N160 L161	N160-L164 WeakPolarHBondContact O-CG 3.29Å; N160-L164 PolarHBondContact O-N 3.38Å; N160-L164 VanDerWaalsContact O-N 3.13Å; L161-L164 HydrophobicContact CD2-CD1 4.49Å; L161-L164 PolarHBondContact O-N 2.99Å
165	W	41	Very low	47.8	Very low	222 Å²	222	143.5 Å²	143.5	84%	0.841	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	5.3	174.3	-76.1	93.6	0	0	0	113.7	L161 K163	L161-W165 VanDerWaalsContact O-CD1 3.32Å; L161-W165 PolarHBondContact O-N 3.48Å; K163-W165 VanDerWaalsContact C-N 3.32Å; K163-W165 PolarHBondContact O-N 3.11Å
166	Q	50.1	Low	47.5	Very low	161 Å²	161	147.9 Å²	147.9	75%	0.752	66%	0.663	S	S	*	*			trans	-103.1	8	175.9	-74.6	-170.9	-36.1	0	0	113.3	R162 K163	R162-Q166 WeakPolarHBondContact O-CG 3.47Å; K163-Q166 PolarHBondContact O-N 3.22Å
167	Y	39.1	Very low	47.3	Very low	272 Å²	272	149.9 Å²	149.9	100%	1.067	67%	0.665	S	S	*	*			trans	-120.2	0	167.9	-79.2	-84	0	0	0	108.9

Retrieved 167 of 167 residues in 182.5 ms (Link to these results)

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