A0A044R6T0_ONCVO Loading...

DUF7027 domain-containing protein

AlphaFold DB , UniProt , Accession A0A044R6T0, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 169 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	37.8	Very low	46.4	Very low	230 Å²	230	159.2 Å²	159.2	100%	1.133	77%	0.766	S	S	*	*				0	82.2	0	-90.2	-176.8	176	0	0	104.4
2	D	46.5	Very low	46.2	Very low	158 Å²	158	150.7 Å²	150.7	85%	0.845	73%	0.734	S	S	*	*			trans	-118.5	81.6	-160.8	-56.1	-75.5	0	0	0	108.2
3	L	50.7	Low	46.6	Very low	155 Å²	155	151.5 Å²	151.5	81%	0.812	74%	0.736	S	S	*	*			trans	-140.4	17.8	-176	-104.7	156.1	0	0	0	114.4
4	D	51.1	Low	47.1	Very low	130 Å²	130	144.3 Å²	144.3	70%	0.695	71%	0.708	S	S	*	*			trans	-96.2	13	174.4	-87.3	-37.4	0	0	0	114.6	S6	D4-S6 VanDerWaalsContact C-N 3.33Å
5	Y	53.7	Low	47.9	Very low	191 Å²	191	139.6 Å²	139.6	75%	0.749	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-9.3	174.7	-165.4	-102.1	0	0	0	113.7
6	S	50.4	Low	48.5	Very low	89 Å²	89	137.6 Å²	137.6	62%	0.622	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-14.9	-171.4	-174.8	0	0	0	0	115.3	D4	D4-S6 VanDerWaalsContact C-N 3.33Å
7	R	38.4	Very low	49.2	Very low	199 Å²	199	131.6 Å²	131.6	75%	0.751	67%	0.667	S	S	*	*	S	Bend	trans	-80.6	-25.2	-170.8	-66.4	-173.4	-175.4	-161.2	2	114.2	F9 C10	R7-F9 VanDerWaalsContact C-N 3.28Å; R7-F9 PolarHBondContact O-N 2.92Å; R7-C10 PolarHBondContact O-N 3.18Å
8	W	44.3	Very low	49.8	Very low	226 Å²	226	124.8 Å²	124.8	86%	0.856	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-18.7	-179.5	-69.7	91.4	0	0	0	114
9	F	47.8	Very low	50.7	Low	135 Å²	135	125.8 Å²	125.8	59%	0.592	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-16.3	179.1	-99.7	-85.9	0	0	0	114.5	R7	R7-F9 VanDerWaalsContact C-N 3.28Å; R7-F9 PolarHBondContact O-N 2.92Å
10	C	45.7	Very low	51.6	Low	90 Å²	90	125.7 Å²	125.7	61%	0.608	64%	0.637	S	S	*	*	S	Bend	trans	-76.7	-31.7	-167.5	-147.1	0	0	0	0	113.5	R7 C12 Q13	R7-C10 PolarHBondContact O-N 3.18Å; C10-C12 VanDerWaalsContact C-N 3.28Å; C10-C12 PolarHBondContact O-N 3.2Å; C10-Q13 PolarHBondContact O-N 3.37Å
11	I	43.7	Very low	52.4	Low	148 Å²	148	123 Å²	123	76%	0.759	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-69.1	-29.3	-179.8	-63.1	172.9	0	0	0	111.4	Q13	I11-Q13 VanDerWaalsContact C-N 3.28Å; I11-Q13 PolarHBondContact O-N 2.92Å
12	C	44.5	Very low	54	Low	57 Å²	57	112.2 Å²	112.2	39%	0.385	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-72.8	-16.4	177.7	-75.1	0	0	0	0	113.8	C10 F18	C10-C12 VanDerWaalsContact C-N 3.28Å; C10-C12 PolarHBondContact O-N 3.2Å; C12-F18 VanDerWaalsContact O-CE2 3.3Å; C12-F18 WeakPolarHBondContact O-CE2 3.38Å
13	Q	50.8	Low	55.2	Low	162 Å²	162	107.4 Å²	107.4	76%	0.757	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-86.1	-12	-178.2	-166.8	160.4	1.6	0	0	113.2	C10 I11 P15	C10-Q13 PolarHBondContact O-N 3.37Å; I11-Q13 VanDerWaalsContact C-N 3.28Å; I11-Q13 PolarHBondContact O-N 2.92Å; Q13-P15 WeakPolarHBondContact O-CD 3.43Å
14	S	53.6	Low	56.4	Low	50 Å²	50	105.6 Å²	105.6	35%	0.35	54%	0.541	S	S	.	.	S	Bend	trans	-73.8	122.9	177.7	-172.4	0	0	0	0	110.3	N16 G17	S14-N16 PolarHBondContact O-N 3.33Å; S14-G17 PolarHBondContact O-N 3.35Å
15	P	58.8	Low	57.4	Low	74 Å²	74	99.9 Å²	99.9	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-56.1	-23.2	178.2	21.6	-32	0	0	0	112.7	Q13 G17 F18 M19	Q13-P15 WeakPolarHBondContact O-CD 3.43Å; P15-G17 VanDerWaalsContact C-N 3.32Å; P15-G17 PolarHBondContact O-N 3.35Å; P15-F18 PolarHBondContact O-N 3Å; P15-M19 PolarHBondContact O-N 3.01Å
16	N	58.5	Low	58.5	Low	107 Å²	107	94.6 Å²	94.6	57%	0.572	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-36.4	177	-62.6	-2.1	0	0	0	112.5	S14 F18 M19 L20	S14-N16 PolarHBondContact O-N 3.33Å; N16-F18 VanDerWaalsContact C-N 3.33Å; N16-F18 PolarHBondContact O-N 3.4Å; N16-M19 PolarHBondContact O-N 2.98Å; N16-L20 PolarHBondContact O-N 3.37Å
17	G	60.4	Low	59.8	Low	36 Å²	36	93.7 Å²	93.7	37%	0.371	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-38.6	-179.3	0	0	0	0	0	112.3	S14 P15 L21	S14-G17 PolarHBondContact O-N 3.35Å; P15-G17 VanDerWaalsContact C-N 3.32Å; P15-G17 PolarHBondContact O-N 3.35Å; G17-L21 PolarHBondContact O-N 3.49Å; G17-L21 VanDerWaalsContact O-N 3.07Å
18	F	59.7	Low	61.6	Low	9 Å²	9	88.1 Å²	88.1	4%	0.039	47%	0.465	C	S	.	.	H	α-helix	trans	-69.5	-39	175.7	-74.7	-90.6	0	0	0	112.6	C12 P15 N16 L20 L21 A22 L72 V76 S83 T87	C12-F18 VanDerWaalsContact O-CE2 3.3Å; C12-F18 WeakPolarHBondContact O-CE2 3.38Å; P15-F18 PolarHBondContact O-N 3Å; N16-F18 VanDerWaalsContact C-N 3.33Å; N16-F18 PolarHBondContact O-N 3.4Å; F18-L20 VanDerWaalsContact C-N 3.32Å; F18-L20 PolarHBondContact O-N 2.91Å; F18-L21 PolarHBondContact O-N 3.23Å; F18-A22 WeakPolarHBondContact O-CB 3.31Å; F18-A22 PolarHBondContact O-N 3.01Å; F18-L72 HydrophobicContact CB-CD2 4.36Å; F18-L72 HydrophobicContact CD1-CD2 3.81Å; F18-V76 HydrophobicContact CB-CG2 3.81Å; F18-V76 HydrophobicContact CD1-CG2 4.2Å; F18-V76 HydrophobicContact CG-CG2 4.04Å; F18-S83 WeakPolarHBondContact CD2-OG 3.29Å; F18-S83 WeakPolarHBondContact CE1-OG 3.29Å; F18-S83 WeakPolarHBondContact CE2-OG 3.28Å; F18-S83 WeakPolarHBondContact CZ-O 3.44Å; F18-S83 WeakPolarHBondContact CZ-OG 3.25Å; F18-T87 HydrophobicContact CD1-CG2 4.14Å; F18-T87 HydrophobicContact CE1-CG2 3.18Å; F18-T87 HydrophobicContact CE2-CG2 4.26Å; F18-T87 HydrophobicContact CZ-CG2 3.22Å
19	M	66.4	Low	63.2	Low	145 Å²	145	78.3 Å²	78.3	71%	0.714	43%	0.43	S	S	*	.	H	α-helix	trans	-63.9	-40.2	178.2	-167	172.8	176.2	0	0	111.3	P15 N16 A22 S23	P15-M19 PolarHBondContact O-N 3.01Å; N16-M19 PolarHBondContact O-N 2.98Å; M19-A22 PolarHBondContact O-N 2.89Å; M19-S23 WeakPolarHBondContact O-CB 3.31Å; M19-S23 PolarHBondContact O-N 2.94Å; M19-S23 PolarHBondContact O-OG 3.1Å
20	L	69.5	Low	64.7	Low	122 Å²	122	78 Å²	78	64%	0.639	43%	0.433	S	S	*	.	H	α-helix	trans	-64.4	-40.9	172.9	-74.8	171.8	0	0	0	112.5	N16 F18 S23 L24	N16-L20 PolarHBondContact O-N 3.37Å; F18-L20 VanDerWaalsContact C-N 3.32Å; F18-L20 PolarHBondContact O-N 2.91Å; L20-S23 WeakPolarHBondContact CA-OG 3.42Å; L20-S23 PolarHBondContact O-N 2.97Å; L20-S23 PolarHBondContact O-OG 3.4Å; L20-L24 VanDerWaalsContact O-CB 3.29Å; L20-L24 WeakPolarHBondContact O-CB 3.18Å; L20-L24 PolarHBondContact O-N 3.47Å
21	L	68.4	Low	66.3	Low	69 Å²	69	80.5 Å²	80.5	36%	0.361	43%	0.434	S	S	.	.	H	α-helix	trans	-66.1	-42.1	178.1	-150.4	84.6	0	0	0	111.1	G17 F18 K25 N90	G17-L21 PolarHBondContact O-N 3.49Å; G17-L21 VanDerWaalsContact O-N 3.07Å; F18-L21 PolarHBondContact O-N 3.23Å; L21-K25 WeakPolarHBondContact O-CD 3.41Å; L21-K25 WeakPolarHBondContact O-CG 3.45Å; L21-K25 PolarHBondContact O-N 2.68Å; L21-K25 VanDerWaalsContact O-N 3.13Å; L21-N90 WeakPolarHBondContact CD2-ND2 3.43Å
22	A	70.2	Confident	68	Low	4 Å²	4	77.6 Å²	77.6	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-65.9	-39.9	177.1	0	0	0	0	0	112	F18 M19 K25 I26 I73	F18-A22 WeakPolarHBondContact O-CB 3.31Å; F18-A22 PolarHBondContact O-N 3.01Å; M19-A22 PolarHBondContact O-N 2.89Å; A22-K25 WeakPolarHBondContact O-CB 3.46Å; A22-K25 PolarHBondContact O-N 2.71Å; A22-I26 WeakPolarHBondContact O-CG1 3.22Å; A22-I26 PolarHBondContact O-N 3.36Å; A22-I26 VanDerWaalsContact O-N 3.16Å; A22-I73 HydrophobicContact CB-CD1 4.1Å; A22-I73 HydrophobicContact CB-CG1 3.72Å
23	S	73.3	Confident	69.6	Low	57 Å²	57	79.2 Å²	79.2	40%	0.399	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-45.3	176.2	65.6	0	0	0	0	111.6	M19 L20 K25 I26 V27	M19-S23 WeakPolarHBondContact O-CB 3.31Å; M19-S23 PolarHBondContact O-N 2.94Å; M19-S23 PolarHBondContact O-OG 3.1Å; L20-S23 WeakPolarHBondContact CA-OG 3.42Å; L20-S23 PolarHBondContact O-N 2.97Å; L20-S23 PolarHBondContact O-OG 3.4Å; S23-K25 PolarHBondContact O-N 2.96Å; S23-I26 PolarHBondContact O-N 3.44Å; S23-I26 VanDerWaalsContact O-N 3.13Å; S23-V27 WeakPolarHBondContact O-CG2 3.43Å; S23-V27 PolarHBondContact O-N 2.73Å
24	L	75	Confident	70.9	Confident	118 Å²	118	74 Å²	74	62%	0.618	40%	0.403	S	S	*	.	H	α-helix	trans	-56.4	-39.3	177.3	-174	70.7	0	0	0	111.5	L20 V27 F28	L20-L24 VanDerWaalsContact O-CB 3.29Å; L20-L24 WeakPolarHBondContact O-CB 3.18Å; L20-L24 PolarHBondContact O-N 3.47Å; L24-V27 PolarHBondContact O-N 3.5Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 2.83Å
25	K	71.7	Confident	72.2	Confident	10 Å²	10	78.7 Å²	78.7	4%	0.043	41%	0.414	C	S	.	.	H	α-helix	trans	-66.1	-43.8	176.7	-74.8	171.4	159	-148.5	0	114	L21 A22 S23 V27 F28 L29 Y65 N90	L21-K25 WeakPolarHBondContact O-CD 3.41Å; L21-K25 WeakPolarHBondContact O-CG 3.45Å; L21-K25 PolarHBondContact O-N 2.68Å; L21-K25 VanDerWaalsContact O-N 3.13Å; A22-K25 WeakPolarHBondContact O-CB 3.46Å; A22-K25 PolarHBondContact O-N 2.71Å; S23-K25 PolarHBondContact O-N 2.96Å; K25-V27 PolarHBondContact O-N 3.07Å; K25-F28 PolarHBondContact O-N 3.43Å; K25-L29 WeakPolarHBondContact O-CB 3.43Å; K25-L29 PolarHBondContact O-N 3.32Å; K25-Y65 HydrophobicContact CB-CE1 3.9Å; K25-Y65 HydrophobicContact CD-CE1 4.02Å; K25-Y65 VanDerWaalsContact CE-OH 3.3Å; K25-Y65 WeakPolarHBondContact CE-OH 3.41Å; K25-Y65 HydrophobicContact CG-CE1 3.72Å; K25-Y65 WeakPolarHBondContact CG-OH 3.41Å; K25-N90 WeakPolarHBondContact CE-ND2 3.48Å; K25-N90 WeakPolarHBondContact CE-OD1 3.22Å; K25-N90 PolarHBondContact NZ-ND2 2.93Å; K25-N90 PolarHBondContact NZ-OD1 2.85Å
26	I	77.9	Confident	73.1	Confident	79 Å²	79	76.2 Å²	76.2	41%	0.405	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-42.5	178	-69.8	163.8	0	0	0	109	A22 S23 L29 L30 I73	A22-I26 WeakPolarHBondContact O-CG1 3.22Å; A22-I26 PolarHBondContact O-N 3.36Å; A22-I26 VanDerWaalsContact O-N 3.16Å; S23-I26 PolarHBondContact O-N 3.44Å; S23-I26 VanDerWaalsContact O-N 3.13Å; I26-L29 PolarHBondContact O-N 3.45Å; I26-L30 WeakPolarHBondContact O-CB 3.16Å; I26-L30 PolarHBondContact O-N 3.02Å; I26-I73 HydrophobicContact CD1-CD1 4.11Å
27	V	77.7	Confident	74.2	Confident	70 Å²	70	75.5 Å²	75.5	42%	0.424	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-48.5	174.7	176.4	0	0	0	0	110.5	S23 L24 K25 L29 L30 F31	S23-V27 WeakPolarHBondContact O-CG2 3.43Å; S23-V27 PolarHBondContact O-N 2.73Å; L24-V27 PolarHBondContact O-N 3.5Å; K25-V27 PolarHBondContact O-N 3.07Å; V27-L29 PolarHBondContact O-N 2.88Å; V27-L30 WeakPolarHBondContact O-CB 3.26Å; V27-L30 PolarHBondContact O-N 3.07Å; V27-L30 VanDerWaalsContact O-N 3.11Å; V27-F31 HydrophobicContact CG1-CD2 3.75Å; V27-F31 HydrophobicContact CG1-CE2 3.64Å; V27-F31 VanDerWaalsContact O-CD2 3.25Å; V27-F31 WeakPolarHBondContact O-CD2 3.32Å; V27-F31 PolarHBondContact O-N 3.28Å
28	F	76.8	Confident	75.2	Confident	82 Å²	82	78.3 Å²	78.3	36%	0.36	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-43.4	179.2	-168.9	-98.6	0	0	0	113	L24 K25 L30 F31 M32	L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 2.83Å; K25-F28 PolarHBondContact O-N 3.43Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 3.14Å; F28-F31 PolarHBondContact O-N 2.94Å; F28-M32 HydrophobicContact CD1-CG 3.85Å; F28-M32 HydrophobicContact CE1-CE 3.69Å; F28-M32 HydrophobicContact CE1-CG 3.56Å; F28-M32 HydrophobicContact CE1-SD 4.48Å; F28-M32 HydrophobicContact CE2-CE 3.97Å; F28-M32 HydrophobicContact CE2-CG 4.43Å; F28-M32 HydrophobicContact CG-CG 4.44Å; F28-M32 HydrophobicContact CZ-CE 3.21Å; F28-M32 HydrophobicContact CZ-CG 3.9Å; F28-M32 HydrophobicContact CZ-SD 4.37Å; F28-M32 WeakPolarHBondContact O-CB 3.29Å; F28-M32 WeakPolarHBondContact O-CG 3.26Å; F28-M32 PolarHBondContact O-N 2.89Å
29	L	77.3	Confident	76	Confident	21 Å²	21	83 Å²	83	11%	0.11	42%	0.417	C	S	.	.	H	α-helix	trans	-58.7	-44.4	172.7	-100.5	151.8	0	0	0	112	K25 I26 V27 F31 M32 L33 S62 Y65 F66	K25-L29 WeakPolarHBondContact O-CB 3.43Å; K25-L29 PolarHBondContact O-N 3.32Å; I26-L29 PolarHBondContact O-N 3.45Å; V27-L29 PolarHBondContact O-N 2.88Å; L29-F31 PolarHBondContact O-N 3.41Å; L29-M32 PolarHBondContact O-N 3.42Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 PolarHBondContact O-N 3.17Å; L29-L33 VanDerWaalsContact O-N 3.12Å; L29-S62 WeakPolarHBondContact CD2-OG 3.24Å; L29-Y65 HydrophobicContact CD1-CD1 3.7Å; L29-Y65 HydrophobicContact CD1-CE1 4.4Å; L29-Y65 HydrophobicContact CG-CD1 4.26Å; L29-F66 HydrophobicContact CD1-CB 4.24Å; L29-F66 HydrophobicContact CD1-CD2 4.45Å
30	L	78.3	Confident	76.4	Confident	127 Å²	127	78.1 Å²	78.1	67%	0.665	39%	0.394	S	S	*	.	H	α-helix	trans	-63.2	-30.7	179.4	-165.3	79	0	0	0	112.2	I26 V27 F28 P34	I26-L30 WeakPolarHBondContact O-CB 3.16Å; I26-L30 PolarHBondContact O-N 3.02Å; V27-L30 WeakPolarHBondContact O-CB 3.26Å; V27-L30 PolarHBondContact O-N 3.07Å; V27-L30 VanDerWaalsContact O-N 3.11Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 3.14Å; L30-P34 WeakPolarHBondContact O-CD 3.22Å; L30-P34 WeakPolarHBondContact O-CG 3.12Å
31	F	80.4	Confident	76.7	Confident	143 Å²	143	77.2 Å²	77.2	63%	0.627	39%	0.394	S	S	*	.	H	α-helix	trans	-85.2	-41	176	-81.9	-76.4	0	0	0	113.1	V27 F28 L29 L33 P34 Y35	V27-F31 HydrophobicContact CG1-CD2 3.75Å; V27-F31 HydrophobicContact CG1-CE2 3.64Å; V27-F31 VanDerWaalsContact O-CD2 3.25Å; V27-F31 WeakPolarHBondContact O-CD2 3.32Å; V27-F31 PolarHBondContact O-N 3.28Å; F28-F31 PolarHBondContact O-N 2.94Å; L29-F31 PolarHBondContact O-N 3.41Å; F31-L33 PolarHBondContact O-N 2.88Å; F31-P34 WeakPolarHBondContact O-CD 3.4Å; F31-P34 WeakPolarHBondContact O-CG 3.39Å; F31-Y35 VanDerWaalsContact O-CB 3.29Å; F31-Y35 WeakPolarHBondContact O-CB 3.48Å; F31-Y35 PolarHBondContact O-N 3.45Å
32	M	78.2	Confident	77.1	Confident	88 Å²	88	80.4 Å²	80.4	43%	0.433	41%	0.41	S	S	.	.	H	α-helix	trans	-67.8	-36.3	-176.7	-80.8	-64	-156.4	0	0	113.1	F28 L29 Y35 S36	F28-M32 HydrophobicContact CD1-CG 3.85Å; F28-M32 HydrophobicContact CE1-CE 3.69Å; F28-M32 HydrophobicContact CE1-CG 3.56Å; F28-M32 HydrophobicContact CE1-SD 4.48Å; F28-M32 HydrophobicContact CE2-CE 3.97Å; F28-M32 HydrophobicContact CE2-CG 4.43Å; F28-M32 HydrophobicContact CG-CG 4.44Å; F28-M32 HydrophobicContact CZ-CE 3.21Å; F28-M32 HydrophobicContact CZ-CG 3.9Å; F28-M32 HydrophobicContact CZ-SD 4.37Å; F28-M32 WeakPolarHBondContact O-CB 3.29Å; F28-M32 WeakPolarHBondContact O-CG 3.26Å; F28-M32 PolarHBondContact O-N 2.89Å; L29-M32 PolarHBondContact O-N 3.42Å; M32-Y35 PolarHBondContact O-N 3.39Å; M32-S36 PolarHBondContact O-N 3.23Å
33	L	78.8	Confident	77	Confident	90 Å²	90	83.4 Å²	83.4	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-63.7	-54.6	-178.9	-157.8	150.4	0	0	0	112.7	L29 F31 Y35 S36 I37	L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 PolarHBondContact O-N 3.17Å; L29-L33 VanDerWaalsContact O-N 3.12Å; F31-L33 PolarHBondContact O-N 2.88Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.47Å; L33-S36 PolarHBondContact O-N 3.23Å; L33-S36 PolarHBondContact O-OG 3.49Å; L33-I37 HydrophobicContact CD2-CD1 3.77Å; L33-I37 WeakPolarHBondContact O-CG1 3.45Å; L33-I37 PolarHBondContact O-N 3.34Å
34	P	79.1	Confident	76.5	Confident	53 Å²	53	87.2 Å²	87.2	34%	0.344	44%	0.44	S	S	.	.	H	α-helix	trans	-66.1	-33.4	175.1	27	-34.6	0	0	0	112.3	L30 F31 S36 I37 I38	L30-P34 WeakPolarHBondContact O-CD 3.22Å; L30-P34 WeakPolarHBondContact O-CG 3.12Å; F31-P34 WeakPolarHBondContact O-CD 3.4Å; F31-P34 WeakPolarHBondContact O-CG 3.39Å; P34-S36 VanDerWaalsContact C-N 3.32Å; P34-S36 PolarHBondContact O-N 3.03Å; P34-I37 PolarHBondContact O-N 3.35Å; P34-I38 WeakPolarHBondContact O-CB 3.49Å; P34-I38 VanDerWaalsContact O-CG1 3.26Å; P34-I38 WeakPolarHBondContact O-CG1 3.25Å; P34-I38 PolarHBondContact O-N 2.83Å
35	Y	80	Confident	75.7	Confident	149 Å²	149	89 Å²	89	58%	0.584	44%	0.443	S	S	*	.	H	α-helix	trans	-58.2	-45.1	174.8	-179.1	-97.4	0	0	0	111.4	F31 M32 L33 I37 I38 Y39	F31-Y35 VanDerWaalsContact O-CB 3.29Å; F31-Y35 WeakPolarHBondContact O-CB 3.48Å; F31-Y35 PolarHBondContact O-N 3.45Å; M32-Y35 PolarHBondContact O-N 3.39Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.47Å; Y35-I37 PolarHBondContact O-N 3.24Å; Y35-I38 PolarHBondContact O-N 3.38Å; Y35-Y39 VanDerWaalsContact O-CB 3.29Å; Y35-Y39 WeakPolarHBondContact O-CB 3.38Å; Y35-Y39 PolarHBondContact O-N 3.44Å
36	S	78.2	Confident	75.2	Confident	22 Å²	22	98.3 Å²	98.3	15%	0.154	48%	0.483	C	S	.	.	H	α-helix	trans	-62	-40.7	175.5	72.4	0	0	0	0	112.7	M32 L33 P34 Y39 I40	M32-S36 PolarHBondContact O-N 3.23Å; L33-S36 PolarHBondContact O-N 3.23Å; L33-S36 PolarHBondContact O-OG 3.49Å; P34-S36 VanDerWaalsContact C-N 3.32Å; P34-S36 PolarHBondContact O-N 3.03Å; S36-Y39 PolarHBondContact O-N 2.88Å; S36-I40 VanDerWaalsContact O-CD1 3.26Å; S36-I40 WeakPolarHBondContact O-CD1 3.31Å; S36-I40 WeakPolarHBondContact O-CG1 3.41Å; S36-I40 PolarHBondContact O-N 2.91Å
37	I	81	Confident	74.5	Confident	92 Å²	92	99.5 Å²	99.5	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-46.4	178.9	-64.9	169.1	0	0	0	110.7	L33 P34 Y35 Y39 I40 T41	L33-I37 HydrophobicContact CD2-CD1 3.77Å; L33-I37 WeakPolarHBondContact O-CG1 3.45Å; L33-I37 PolarHBondContact O-N 3.34Å; P34-I37 PolarHBondContact O-N 3.35Å; Y35-I37 PolarHBondContact O-N 3.24Å; I37-Y39 VanDerWaalsContact C-N 3.33Å; I37-I40 PolarHBondContact O-N 3.01Å; I37-T41 PolarHBondContact O-N 3.02Å; I37-T41 PolarHBondContact O-OG1 3Å
38	I	82.2	Confident	73.6	Confident	95 Å²	95	101 Å²	101	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.7	-70.1	167	0	0	0	110.2	P34 Y35 I40 T41 L42	P34-I38 WeakPolarHBondContact O-CB 3.49Å; P34-I38 VanDerWaalsContact O-CG1 3.26Å; P34-I38 WeakPolarHBondContact O-CG1 3.25Å; P34-I38 PolarHBondContact O-N 2.83Å; Y35-I38 PolarHBondContact O-N 3.38Å; I38-I40 PolarHBondContact O-N 2.87Å; I38-T41 WeakPolarHBondContact CA-OG1 3.42Å; I38-T41 PolarHBondContact O-N 2.84Å; I38-T41 PolarHBondContact O-OG1 2.9Å; I38-T41 VanDerWaalsContact O-OG1 3.1Å; I38-L42 HydrophobicContact CG2-CD1 3.59Å; I38-L42 WeakPolarHBondContact O-CB 3.34Å; I38-L42 PolarHBondContact O-N 3.29Å
39	Y	75.6	Confident	72.9	Confident	106 Å²	106	106.9 Å²	106.9	42%	0.416	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-44.2	178.4	-173.8	-93.3	0	0	0	111.9	Y35 S36 I37 T41 L42 Q43	Y35-Y39 VanDerWaalsContact O-CB 3.29Å; Y35-Y39 WeakPolarHBondContact O-CB 3.38Å; Y35-Y39 PolarHBondContact O-N 3.44Å; S36-Y39 PolarHBondContact O-N 2.88Å; I37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-T41 PolarHBondContact O-N 3.49Å; Y39-L42 PolarHBondContact O-N 2.86Å; Y39-Q43 PolarHBondContact O-N 3.39Å
40	I	73.9	Confident	72.4	Confident	43 Å²	43	111.8 Å²	111.8	22%	0.221	53%	0.533	C	S	.	.	H	α-helix	trans	-64.5	-39.9	176.6	-63.5	157.2	0	0	0	111.5	S36 I37 I38 V55	S36-I40 VanDerWaalsContact O-CD1 3.26Å; S36-I40 WeakPolarHBondContact O-CD1 3.31Å; S36-I40 WeakPolarHBondContact O-CG1 3.41Å; S36-I40 PolarHBondContact O-N 2.91Å; I37-I40 PolarHBondContact O-N 3.01Å; I38-I40 PolarHBondContact O-N 2.87Å; I40-V55 HydrophobicContact CD1-CB 4.1Å; I40-V55 HydrophobicContact CD1-CG1 3.53Å; I40-V55 HydrophobicContact CD1-CG2 3.37Å; I40-V55 HydrophobicContact CG1-CG2 3.62Å
41	T	77.4	Confident	72.1	Confident	104 Å²	104	107.2 Å²	107.2	64%	0.638	51%	0.509	S	S	*	.	H	α-helix	trans	-72.1	-30.2	179.6	25.2	0	0	0	0	112.7	I37 I38 Y39	I37-T41 PolarHBondContact O-N 3.02Å; I37-T41 PolarHBondContact O-OG1 3Å; I38-T41 WeakPolarHBondContact CA-OG1 3.42Å; I38-T41 PolarHBondContact O-N 2.84Å; I38-T41 PolarHBondContact O-OG1 2.9Å; I38-T41 VanDerWaalsContact O-OG1 3.1Å; Y39-T41 PolarHBondContact O-N 3.49Å
42	L	76.3	Confident	71.8	Confident	136 Å²	136	104 Å²	104	71%	0.712	50%	0.498	S	S	*	.	H	α-helix	trans	-76.4	-36.4	175.2	-90.4	154.1	0	0	0	112.9	I38 Y39 N44	I38-L42 HydrophobicContact CG2-CD1 3.59Å; I38-L42 WeakPolarHBondContact O-CB 3.34Å; I38-L42 PolarHBondContact O-N 3.29Å; Y39-L42 PolarHBondContact O-N 2.86Å; L42-N44 PolarHBondContact O-N 3.49Å
43	Q	69.1	Low	71.6	Confident	66 Å²	66	106 Å²	106	31%	0.308	50%	0.501	S	S	.	.	S	Bend	trans	-71.1	97.4	174.4	-109.7	-175.2	-27.3	0	0	109.2	Y39 F45 I51	Y39-Q43 PolarHBondContact O-N 3.39Å; Q43-F45 PolarHBondContact O-N 3.31Å; Q43-I51 HydrophobicContact CB-CD1 4.25Å; Q43-I51 HydrophobicContact CG-CD1 4.39Å
44	N	61.1	Low	71.4	Confident	138 Å²	138	104.6 Å²	104.6	74%	0.738	49%	0.49	S	S	*	.			trans	-41.8	134.1	174.9	-115.1	-25.9	0	0	0	111.5	L42 K46	L42-N44 PolarHBondContact O-N 3.49Å; N44-K46 PolarHBondContact O-N 2.84Å
45	F	59.7	Low	71.1	Confident	155 Å²	155	102.9 Å²	102.9	68%	0.68	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-48.7	-1.5	-168.8	-67.2	-87.6	0	0	0	118.8	Q43 E47 Y48	Q43-F45 PolarHBondContact O-N 3.31Å; F45-E47 PolarHBondContact O-N 3.45Å; F45-Y48 AromaticContact CD1-CD2 3.83Å; F45-Y48 HydrophobicContact CD1-CD2 3.83Å; F45-Y48 AromaticContact CD1-CE2 3.64Å; F45-Y48 HydrophobicContact CD1-CE2 3.64Å; F45-Y48 AromaticContact CE1-CE2 3.92Å; F45-Y48 HydrophobicContact CE1-CE2 3.92Å
46	K	60.5	Low	71	Confident	205 Å²	205	100.1 Å²	100.1	89%	0.891	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-76.1	-22.4	-168.5	-126.4	176.9	178.2	-176.7	0	114.5	N44	N44-K46 PolarHBondContact O-N 2.84Å
47	E	62.3	Low	71	Confident	105 Å²	105	102.9 Å²	102.9	49%	0.491	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-118	36	177.9	-71.2	-176.7	159.2	0	0	112.2	F45 Y49 D50 I51 K115	F45-E47 PolarHBondContact O-N 3.45Å; E47-Y49 VanDerWaalsContact C-N 3.33Å; E47-Y49 PolarHBondContact O-N 3.35Å; E47-D50 PolarHBondContact O-N 3.15Å; E47-I51 HydrophobicContact CB-CD1 4.49Å; E47-I51 WeakPolarHBondContact O-CD1 3.29Å; E47-K115 IonicContact OE1-NZ 2.89Å; E47-K115 PolarHBondContact OE1-NZ 3.33Å
48	Y	59.2	Low	70.7	Confident	100 Å²	100	100.5 Å²	100.5	39%	0.392	48%	0.477	S	S	.	.	H	α-helix	trans	-60	-33.1	-170.1	-146.1	-103	0	0	0	115.1	F45 L52	F45-Y48 AromaticContact CD1-CD2 3.83Å; F45-Y48 HydrophobicContact CD1-CD2 3.83Å; F45-Y48 AromaticContact CD1-CE2 3.64Å; F45-Y48 HydrophobicContact CD1-CE2 3.64Å; F45-Y48 AromaticContact CE1-CE2 3.92Å; F45-Y48 HydrophobicContact CE1-CE2 3.92Å; Y48-L52 HydrophobicContact CD1-CD1 3.48Å; Y48-L52 VanDerWaalsContact CD1-CD1 3.48Å; Y48-L52 HydrophobicContact CD1-CG 3.88Å; Y48-L52 HydrophobicContact CE1-CD1 3.68Å; Y48-L52 HydrophobicContact CE1-CD2 4.06Å; Y48-L52 HydrophobicContact CE1-CG 3.9Å; Y48-L52 WeakPolarHBondContact O-CG 3.37Å; Y48-L52 PolarHBondContact O-N 2.9Å
49	Y	62.8	Low	70.5	Confident	206 Å²	206	100.2 Å²	100.2	81%	0.808	48%	0.476	S	S	*	.	H	α-helix	trans	-71.9	-37.1	-175.3	-85.5	-83.7	0	0	0	113.3	E47 I51	E47-Y49 VanDerWaalsContact C-N 3.33Å; E47-Y49 PolarHBondContact O-N 3.35Å; Y49-I51 VanDerWaalsContact C-N 3.3Å; Y49-I51 PolarHBondContact O-N 2.88Å
50	D	67.2	Low	70.7	Confident	125 Å²	125	99.7 Å²	99.7	67%	0.668	48%	0.48	S	S	*	.	H	α-helix	trans	-77.4	-17.2	-179.6	-87.8	-26.2	0	0	0	112.8	E47 W53	E47-D50 PolarHBondContact O-N 3.15Å; D50-W53 PolarHBondContact O-NE1 3.26Å
51	I	71.6	Confident	70.9	Confident	31 Å²	31	99.9 Å²	99.9	16%	0.159	48%	0.481	C	S	.	.	H	α-helix	trans	-93.8	-33.7	-179.2	-58.7	154.7	0	0	0	110.8	Q43 E47 Y49 W53 Y54 V55	Q43-I51 HydrophobicContact CB-CD1 4.25Å; Q43-I51 HydrophobicContact CG-CD1 4.39Å; E47-I51 HydrophobicContact CB-CD1 4.49Å; E47-I51 WeakPolarHBondContact O-CD1 3.29Å; Y49-I51 VanDerWaalsContact C-N 3.3Å; Y49-I51 PolarHBondContact O-N 2.88Å; I51-W53 PolarHBondContact O-N 3.19Å; I51-Y54 WeakPolarHBondContact O-CB 3.43Å; I51-Y54 PolarHBondContact O-N 3.05Å; I51-Y54 VanDerWaalsContact O-N 3.16Å; I51-V55 HydrophobicContact CG2-CG2 3.99Å; I51-V55 WeakPolarHBondContact O-CG2 2.88Å; I51-V55 PolarHBondContact O-N 2.96Å
52	L	72.9	Confident	70.9	Confident	76 Å²	76	96.3 Å²	96.3	40%	0.398	46%	0.46	S	S	.	.	H	α-helix	trans	-57.4	-44.6	-175.5	-90.7	171.3	0	0	0	113.6	Y48 Y54 V55 V56	Y48-L52 HydrophobicContact CD1-CD1 3.48Å; Y48-L52 VanDerWaalsContact CD1-CD1 3.48Å; Y48-L52 HydrophobicContact CD1-CG 3.88Å; Y48-L52 HydrophobicContact CE1-CD1 3.68Å; Y48-L52 HydrophobicContact CE1-CD2 4.06Å; Y48-L52 HydrophobicContact CE1-CG 3.9Å; Y48-L52 WeakPolarHBondContact O-CG 3.37Å; Y48-L52 PolarHBondContact O-N 2.9Å; L52-Y54 VanDerWaalsContact C-N 3.28Å; L52-Y54 PolarHBondContact O-N 3.35Å; L52-V55 PolarHBondContact O-N 3.3Å; L52-V56 WeakPolarHBondContact O-CG2 3.35Å; L52-V56 PolarHBondContact O-N 3.43Å
53	W	74.6	Confident	71	Confident	130 Å²	130	94.1 Å²	94.1	49%	0.492	45%	0.448	S	S	.	.	H	α-helix	trans	-65	-36.4	-178.7	70.3	-93.4	0	0	0	111.6	D50 I51 V56 L57	D50-W53 PolarHBondContact O-NE1 3.26Å; I51-W53 PolarHBondContact O-N 3.19Å; W53-V56 PolarHBondContact O-N 3.48Å; W53-L57 HydrophobicContact CE3-CD1 3.53Å; W53-L57 HydrophobicContact CZ3-CD1 3.53Å; W53-L57 PolarHBondContact O-N 3.44Å
54	Y	74	Confident	71.5	Confident	60 Å²	60	94.4 Å²	94.4	24%	0.235	45%	0.451	C	S	.	.	H	α-helix	trans	-65.7	-41.3	175.8	179.8	-104.5	0	0	0	111.3	I51 L52 L57 L58 F101	I51-Y54 WeakPolarHBondContact O-CB 3.43Å; I51-Y54 PolarHBondContact O-N 3.05Å; I51-Y54 VanDerWaalsContact O-N 3.16Å; L52-Y54 VanDerWaalsContact C-N 3.28Å; L52-Y54 PolarHBondContact O-N 3.35Å; Y54-L57 PolarHBondContact O-N 3.12Å; Y54-L58 HydrophobicContact CD1-CD1 3.69Å; Y54-L58 HydrophobicContact CE1-CD1 3.25Å; Y54-L58 HydrophobicContact CE1-CG 4.15Å; Y54-L58 WeakPolarHBondContact O-CB 3.45Å; Y54-L58 PolarHBondContact O-N 3.16Å; Y54-F101 HydrophobicContact CE2-CD1 4.47Å; Y54-F101 HydrophobicContact CE2-CE1 4.13Å
55	V	73.9	Confident	71.9	Confident	17 Å²	17	89 Å²	89	10%	0.103	42%	0.42	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.6	174.6	0	0	0	0	111.3	I40 I51 L52 L57 L58 I59	I40-V55 HydrophobicContact CD1-CB 4.1Å; I40-V55 HydrophobicContact CD1-CG1 3.53Å; I40-V55 HydrophobicContact CD1-CG2 3.37Å; I40-V55 HydrophobicContact CG1-CG2 3.62Å; I51-V55 HydrophobicContact CG2-CG2 3.99Å; I51-V55 WeakPolarHBondContact O-CG2 2.88Å; I51-V55 PolarHBondContact O-N 2.96Å; L52-V55 PolarHBondContact O-N 3.3Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 2.71Å; V55-L58 WeakPolarHBondContact O-CB 3.36Å; V55-L58 PolarHBondContact O-N 3.4Å; V55-I59 HydrophobicContact CG1-CD1 3.81Å; V55-I59 HydrophobicContact CG1-CG1 4.38Å; V55-I59 VanDerWaalsContact O-CG1 3.3Å; V55-I59 WeakPolarHBondContact O-CG1 2.82Å; V55-I59 PolarHBondContact O-N 2.92Å
56	V	77.5	Confident	72.7	Confident	90 Å²	90	87.2 Å²	87.2	55%	0.545	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-42.8	177.1	171.5	0	0	0	0	110.8	L52 W53 I59 L60	L52-V56 WeakPolarHBondContact O-CG2 3.35Å; L52-V56 PolarHBondContact O-N 3.43Å; W53-V56 PolarHBondContact O-N 3.48Å; V56-I59 PolarHBondContact O-N 3.27Å; V56-L60 WeakPolarHBondContact O-CB 3.1Å; V56-L60 PolarHBondContact O-N 3.44Å
57	L	78.2	Confident	73.5	Confident	81 Å²	81	82 Å²	82	42%	0.424	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-44.6	174	-78.6	172.3	0	0	0	112	W53 Y54 V55 I59 L60 I61	W53-L57 HydrophobicContact CE3-CD1 3.53Å; W53-L57 HydrophobicContact CZ3-CD1 3.53Å; W53-L57 PolarHBondContact O-N 3.44Å; Y54-L57 PolarHBondContact O-N 3.12Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 2.71Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 3.23Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-I61 WeakPolarHBondContact O-CB 3.09Å; L57-I61 WeakPolarHBondContact O-CD1 3.24Å; L57-I61 WeakPolarHBondContact O-CG1 2.9Å; L57-I61 PolarHBondContact O-N 3.27Å
58	L	74.8	Confident	74.2	Confident	42 Å²	42	78.4 Å²	78.4	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-56.9	-46.4	175.3	-93.6	167	0	0	0	112.1	Y54 V55 I61 S62 F101	Y54-L58 HydrophobicContact CD1-CD1 3.69Å; Y54-L58 HydrophobicContact CE1-CD1 3.25Å; Y54-L58 HydrophobicContact CE1-CG 4.15Å; Y54-L58 WeakPolarHBondContact O-CB 3.45Å; Y54-L58 PolarHBondContact O-N 3.16Å; V55-L58 WeakPolarHBondContact O-CB 3.36Å; V55-L58 PolarHBondContact O-N 3.4Å; L58-I61 PolarHBondContact O-N 2.74Å; L58-S62 WeakPolarHBondContact O-CB 3.32Å; L58-S62 PolarHBondContact O-N 3.33Å; L58-F101 HydrophobicContact CD2-CD1 4.43Å; L58-F101 HydrophobicContact CD2-CE1 3.27Å; L58-F101 HydrophobicContact CD2-CZ 3.32Å; L58-F101 HydrophobicContact CG-CE1 3.7Å; L58-F101 HydrophobicContact CG-CZ 3.83Å
59	I	78.1	Confident	75	Confident	89 Å²	89	73.8 Å²	73.8	46%	0.456	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-46.7	177.8	-68	166.8	0	0	0	110.4	V55 V56 L57 I61 S62 I63	V55-I59 HydrophobicContact CG1-CD1 3.81Å; V55-I59 HydrophobicContact CG1-CG1 4.38Å; V55-I59 VanDerWaalsContact O-CG1 3.3Å; V55-I59 WeakPolarHBondContact O-CG1 2.82Å; V55-I59 PolarHBondContact O-N 2.92Å; V56-I59 PolarHBondContact O-N 3.27Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 3.23Å; I59-I61 VanDerWaalsContact C-N 3.34Å; I59-I61 PolarHBondContact O-N 2.73Å; I59-S62 WeakPolarHBondContact O-CB 3.46Å; I59-S62 PolarHBondContact O-N 2.82Å; I59-I63 HydrophobicContact CG2-CD1 3.97Å; I59-I63 WeakPolarHBondContact O-CG1 3.29Å; I59-I63 PolarHBondContact O-N 2.86Å
60	L	80.1	Confident	75.5	Confident	95 Å²	95	65.6 Å²	65.6	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-46.4	179.9	-169.6	108.8	0	0	0	111.2	V56 L57 S62 I63 I64	V56-L60 WeakPolarHBondContact O-CB 3.1Å; V56-L60 PolarHBondContact O-N 3.44Å; L57-L60 PolarHBondContact O-N 3.03Å; L60-S62 VanDerWaalsContact C-N 3.34Å; L60-I63 PolarHBondContact O-N 3.04Å; L60-I64 HydrophobicContact CD2-CD1 4Å; L60-I64 HydrophobicContact CG-CD1 4.35Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 2.87Å
61	I	77.4	Confident	75.9	Confident	46 Å²	46	64.4 Å²	64.4	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-38.7	179.3	-62.5	166.3	0	0	0	110.5	L57 L58 I59 I63 I64 Y65 F97 F101	L57-I61 WeakPolarHBondContact O-CB 3.09Å; L57-I61 WeakPolarHBondContact O-CD1 3.24Å; L57-I61 WeakPolarHBondContact O-CG1 2.9Å; L57-I61 PolarHBondContact O-N 3.27Å; L58-I61 PolarHBondContact O-N 2.74Å; I59-I61 VanDerWaalsContact C-N 3.34Å; I59-I61 PolarHBondContact O-N 2.73Å; I61-I63 VanDerWaalsContact C-N 3.32Å; I61-I63 PolarHBondContact O-N 3.01Å; I61-I64 PolarHBondContact O-N 3.31Å; I61-Y65 WeakPolarHBondContact O-CB 3.39Å; I61-Y65 PolarHBondContact O-N 3.14Å; I61-F97 HydrophobicContact CB-CE2 4.29Å; I61-F97 HydrophobicContact CG2-CD2 3.27Å; I61-F97 HydrophobicContact CG2-CE2 3.3Å; I61-F101 HydrophobicContact CD1-CE2 3.59Å; I61-F101 HydrophobicContact CD1-CZ 3.87Å; I61-F101 HydrophobicContact CG2-CE2 4.32Å
62	S	77.6	Confident	75.7	Confident	29 Å²	29	63.1 Å²	63.1	20%	0.203	32%	0.321	C	S	.	.	H	α-helix	trans	-57.1	-43.5	172.7	173.5	0	0	0	0	112	L29 L58 I59 L60 Y65 F66	L29-S62 WeakPolarHBondContact CD2-OG 3.24Å; L58-S62 WeakPolarHBondContact O-CB 3.32Å; L58-S62 PolarHBondContact O-N 3.33Å; I59-S62 WeakPolarHBondContact O-CB 3.46Å; I59-S62 PolarHBondContact O-N 2.82Å; L60-S62 VanDerWaalsContact C-N 3.34Å; S62-Y65 PolarHBondContact O-N 3.47Å; S62-F66 WeakPolarHBondContact O-CB 3.49Å; S62-F66 PolarHBondContact O-N 3.12Å
63	I	77.7	Confident	75.7	Confident	91 Å²	91	63.3 Å²	63.3	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-48.7	176.8	-67.4	165.2	0	0	0	111.1	I59 L60 I61 Y65 F66 L67	I59-I63 HydrophobicContact CG2-CD1 3.97Å; I59-I63 WeakPolarHBondContact O-CG1 3.29Å; I59-I63 PolarHBondContact O-N 2.86Å; L60-I63 PolarHBondContact O-N 3.04Å; I61-I63 VanDerWaalsContact C-N 3.32Å; I61-I63 PolarHBondContact O-N 3.01Å; I63-Y65 PolarHBondContact O-N 2.81Å; I63-F66 WeakPolarHBondContact O-CB 3.25Å; I63-F66 PolarHBondContact O-N 2.96Å; I63-L67 HydrophobicContact CG2-CD1 4.09Å; I63-L67 HydrophobicContact CG2-CG 4.46Å; I63-L67 WeakPolarHBondContact O-CG 3.33Å; I63-L67 PolarHBondContact O-N 2.91Å
64	I	79.3	Confident	75.4	Confident	72 Å²	72	62.5 Å²	62.5	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-57.8	-42.7	177.4	-68	168.8	0	0	0	109.8	L60 I61 L67 I68 M93	L60-I64 HydrophobicContact CD2-CD1 4Å; L60-I64 HydrophobicContact CG-CD1 4.35Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 2.87Å; I61-I64 PolarHBondContact O-N 3.31Å; I64-L67 PolarHBondContact O-N 3.39Å; I64-I68 HydrophobicContact CG2-CD1 3.74Å; I64-I68 HydrophobicContact CG2-CG1 4.49Å; I64-I68 WeakPolarHBondContact O-CD1 3.38Å; I64-I68 VanDerWaalsContact O-CG1 3.26Å; I64-I68 WeakPolarHBondContact O-CG1 3.41Å; I64-I68 PolarHBondContact O-N 2.61Å; I64-M93 HydrophobicContact CG2-CE 4.11Å
65	Y	71.5	Confident	75.1	Confident	23 Å²	23	60.7 Å²	60.7	9%	0.09	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-41	179.4	-161.3	-99	0	0	0	112.4	K25 L29 I61 S62 I63 I68 S69	K25-Y65 HydrophobicContact CB-CE1 3.9Å; K25-Y65 HydrophobicContact CD-CE1 4.02Å; K25-Y65 VanDerWaalsContact CE-OH 3.3Å; K25-Y65 WeakPolarHBondContact CE-OH 3.41Å; K25-Y65 HydrophobicContact CG-CE1 3.72Å; K25-Y65 WeakPolarHBondContact CG-OH 3.41Å; L29-Y65 HydrophobicContact CD1-CD1 3.7Å; L29-Y65 HydrophobicContact CD1-CE1 4.4Å; L29-Y65 HydrophobicContact CG-CD1 4.26Å; I61-Y65 WeakPolarHBondContact O-CB 3.39Å; I61-Y65 PolarHBondContact O-N 3.14Å; S62-Y65 PolarHBondContact O-N 3.47Å; I63-Y65 PolarHBondContact O-N 2.81Å; Y65-I68 PolarHBondContact O-N 2.94Å; Y65-S69 WeakPolarHBondContact O-CB 3.46Å; Y65-S69 PolarHBondContact O-N 3.31Å
66	F	76.3	Confident	74.8	Confident	119 Å²	119	61.7 Å²	61.7	52%	0.522	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-46.8	173.4	179.9	-96	0	0	0	111.6	L29 S62 I63 I68 S69 A70	L29-F66 HydrophobicContact CD1-CB 4.24Å; L29-F66 HydrophobicContact CD1-CD2 4.45Å; S62-F66 WeakPolarHBondContact O-CB 3.49Å; S62-F66 PolarHBondContact O-N 3.12Å; I63-F66 WeakPolarHBondContact O-CB 3.25Å; I63-F66 PolarHBondContact O-N 2.96Å; F66-I68 PolarHBondContact O-N 3.41Å; F66-S69 WeakPolarHBondContact O-CB 3.36Å; F66-S69 PolarHBondContact O-N 3.3Å; F66-S69 VanDerWaalsContact O-N 3.15Å; F66-A70 WeakPolarHBondContact O-CB 3.37Å; F66-A70 PolarHBondContact O-N 2.94Å
67	L	77.1	Confident	74.2	Confident	95 Å²	95	67.3 Å²	67.3	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-59.9	-45.8	177.6	-72.8	171.4	0	0	0	111.7	I63 I64 S69 A70 I71	I63-L67 HydrophobicContact CG2-CD1 4.09Å; I63-L67 HydrophobicContact CG2-CG 4.46Å; I63-L67 WeakPolarHBondContact O-CG 3.33Å; I63-L67 PolarHBondContact O-N 2.91Å; I64-L67 PolarHBondContact O-N 3.39Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 2.9Å; L67-A70 PolarHBondContact O-N 3.45Å; L67-I71 WeakPolarHBondContact O-CB 3.17Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.47Å; L67-I71 PolarHBondContact O-N 3.4Å
68	I	76.7	Confident	73.7	Confident	30 Å²	30	73.4 Å²	73.4	15%	0.154	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-42.1	176.1	-68.2	164.9	0	0	0	110.4	I64 Y65 F66 I71 L72 M93	I64-I68 HydrophobicContact CG2-CD1 3.74Å; I64-I68 HydrophobicContact CG2-CG1 4.49Å; I64-I68 WeakPolarHBondContact O-CD1 3.38Å; I64-I68 VanDerWaalsContact O-CG1 3.26Å; I64-I68 WeakPolarHBondContact O-CG1 3.41Å; I64-I68 PolarHBondContact O-N 2.61Å; Y65-I68 PolarHBondContact O-N 2.94Å; F66-I68 PolarHBondContact O-N 3.41Å; I68-I71 PolarHBondContact O-N 2.89Å; I68-L72 VanDerWaalsContact O-CB 3.25Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 PolarHBondContact O-N 3.49Å; I68-M93 HydrophobicContact CD1-CE 3.52Å; I68-M93 HydrophobicContact CD1-CG 4.05Å; I68-M93 HydrophobicContact CD1-SD 4.47Å
69	S	74.6	Confident	72.9	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-63.6	-42.8	177.3	-157.2	0	0	0	0	112.2	Y65 F66 L67 L72 I73	Y65-S69 WeakPolarHBondContact O-CB 3.46Å; Y65-S69 PolarHBondContact O-N 3.31Å; F66-S69 WeakPolarHBondContact O-CB 3.36Å; F66-S69 PolarHBondContact O-N 3.3Å; F66-S69 VanDerWaalsContact O-N 3.15Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 2.9Å; S69-L72 WeakPolarHBondContact O-CB 3Å; S69-L72 PolarHBondContact O-N 2.85Å; S69-I73 WeakPolarHBondContact O-CG1 3.3Å; S69-I73 PolarHBondContact O-N 3.22Å
70	A	75.3	Confident	72	Confident	33 Å²	33	84.6 Å²	84.6	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.8	0	0	0	0	0	112	F66 L67 L72 I73 L74	F66-A70 WeakPolarHBondContact O-CB 3.37Å; F66-A70 PolarHBondContact O-N 2.94Å; L67-A70 PolarHBondContact O-N 3.45Å; A70-L72 PolarHBondContact O-N 3.25Å; A70-I73 PolarHBondContact O-N 2.87Å; A70-L74 WeakPolarHBondContact O-CB 3.4Å; A70-L74 PolarHBondContact O-N 3.36Å
71	I	74.3	Confident	71	Confident	101 Å²	101	83.2 Å²	83.2	52%	0.518	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-36.5	173.7	-68.3	165.2	0	0	0	110.4	L67 I68 L74 G75	L67-I71 WeakPolarHBondContact O-CB 3.17Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.47Å; L67-I71 PolarHBondContact O-N 3.4Å; I68-I71 PolarHBondContact O-N 2.89Å; I71-L74 PolarHBondContact O-N 3.44Å; I71-G75 WeakPolarHBondContact O-CA 3.39Å; I71-G75 PolarHBondContact O-N 3.43Å
72	L	68.7	Low	69.9	Low	3 Å²	3	86.2 Å²	86.2	2%	0.016	43%	0.427	C	S	.	.	H	α-helix	trans	-67.2	-43.1	179	-159.9	153.5	0	0	0	111.8	F18 I68 S69 A70 G75 V76 L86 N90	F18-L72 HydrophobicContact CB-CD2 4.36Å; F18-L72 HydrophobicContact CD1-CD2 3.81Å; I68-L72 VanDerWaalsContact O-CB 3.25Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 PolarHBondContact O-N 3.49Å; S69-L72 WeakPolarHBondContact O-CB 3Å; S69-L72 PolarHBondContact O-N 2.85Å; A70-L72 PolarHBondContact O-N 3.25Å; L72-G75 PolarHBondContact O-N 2.9Å; L72-V76 HydrophobicContact CD2-CG2 4.13Å; L72-V76 VanDerWaalsContact O-CG2 3.26Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.11Å; L72-L86 HydrophobicContact CB-CD2 4.29Å; L72-L86 HydrophobicContact CD1-CG 4.34Å; L72-L86 HydrophobicContact CG-CD2 3.91Å; L72-L86 HydrophobicContact CG-CG 4.05Å; L72-N90 HydrophobicContact CD1-CB 3.92Å
73	I	71.9	Confident	68.7	Low	80 Å²	80	86.2 Å²	86.2	41%	0.41	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-46.9	173.5	-65.8	164	0	0	0	110.6	A22 I26 S69 A70 G75 V76 Y77	A22-I73 HydrophobicContact CB-CD1 4.1Å; A22-I73 HydrophobicContact CB-CG1 3.72Å; I26-I73 HydrophobicContact CD1-CD1 4.11Å; S69-I73 WeakPolarHBondContact O-CG1 3.3Å; S69-I73 PolarHBondContact O-N 3.22Å; A70-I73 PolarHBondContact O-N 2.87Å; I73-G75 PolarHBondContact O-N 3.49Å; I73-V76 PolarHBondContact O-N 2.9Å; I73-Y77 WeakPolarHBondContact O-CB 3.36Å; I73-Y77 PolarHBondContact O-N 3.21Å
74	L	69.2	Low	67.8	Low	114 Å²	114	86 Å²	86	60%	0.597	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-42.4	176.8	-86.6	158.3	0	0	0	112.4	A70 I71 Y77 R78	A70-L74 WeakPolarHBondContact O-CB 3.4Å; A70-L74 PolarHBondContact O-N 3.36Å; I71-L74 PolarHBondContact O-N 3.44Å; L74-Y77 PolarHBondContact O-N 2.93Å; L74-R78 WeakPolarHBondContact O-CB 3.19Å; L74-R78 PolarHBondContact O-N 3.39Å
75	G	66.4	Low	66.8	Low	21 Å²	21	89.5 Å²	89.5	22%	0.216	44%	0.444	C	S	.	.	H	α-helix	trans	-63.5	-44.4	179.2	0	0	0	0	0	111.9	I71 L72 I73 R78 Y79	I71-G75 WeakPolarHBondContact O-CA 3.39Å; I71-G75 PolarHBondContact O-N 3.43Å; L72-G75 PolarHBondContact O-N 2.9Å; I73-G75 PolarHBondContact O-N 3.49Å; G75-R78 PolarHBondContact O-N 3.02Å; G75-Y79 PolarHBondContact O-N 3.4Å
76	V	67.3	Low	66.2	Low	38 Å²	38	90.3 Å²	90.3	23%	0.23	45%	0.45	C	S	.	.	H	α-helix	trans	-64.6	-40.3	174.7	172.9	0	0	0	0	111.1	F18 L72 I73	F18-V76 HydrophobicContact CB-CG2 3.81Å; F18-V76 HydrophobicContact CD1-CG2 4.2Å; F18-V76 HydrophobicContact CG-CG2 4.04Å; L72-V76 HydrophobicContact CD2-CG2 4.13Å; L72-V76 VanDerWaalsContact O-CG2 3.26Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.11Å; I73-V76 PolarHBondContact O-N 2.9Å
77	Y	65.9	Low	65.6	Low	209 Å²	209	85.8 Å²	85.8	82%	0.82	43%	0.432	S	S	*	.	H	α-helix	trans	-68.6	-37.2	-179.3	-159.2	-94.3	0	0	0	112.7	I73 L74	I73-Y77 WeakPolarHBondContact O-CB 3.36Å; I73-Y77 PolarHBondContact O-N 3.21Å; L74-Y77 PolarHBondContact O-N 2.93Å
78	R	66.4	Low	64.9	Low	209 Å²	209	87.3 Å²	87.3	79%	0.789	44%	0.44	S	S	*	.	H	α-helix	trans	-89.1	-35.7	-177.5	-83.2	-90	-173.5	154.1	-0.7	114.2	L74 G75	L74-R78 WeakPolarHBondContact O-CB 3.19Å; L74-R78 PolarHBondContact O-N 3.39Å; G75-R78 PolarHBondContact O-N 3.02Å
79	Y	59.7	Low	64.4	Low	154 Å²	154	90.2 Å²	90.2	60%	0.604	46%	0.455	S	S	*	.			trans	-124.1	92.1	-169.7	-75.8	-85.3	0	0	0	111.5	G75 G81 I82	G75-Y79 PolarHBondContact O-N 3.4Å; Y79-G81 PolarHBondContact O-N 2.88Å; Y79-I82 HydrophobicContact CD1-CD1 4.39Å
80	K	58.7	Low	63.9	Low	211 Å²	211	90.5 Å²	90.5	92%	0.917	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	2.3	178.4	-147.3	175.8	-176.4	179.7	0	114.9
81	G	58.5	Low	63.5	Low	67 Å²	67	94.9 Å²	94.9	69%	0.691	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.7	-13.3	-169.6	0	0	0	0	0	118.4	Y79	Y79-G81 PolarHBondContact O-N 2.88Å
82	I	54.9	Low	63.2	Low	109 Å²	109	92.1 Å²	92.1	56%	0.559	46%	0.458	S	S	*	.			trans	-98.1	17	-176.3	-87.4	163.4	0	0	0	112.9	Y79 T84	Y79-I82 HydrophobicContact CD1-CD1 4.39Å; I82-T84 VanDerWaalsContact C-N 3.31Å; I82-T84 PolarHBondContact O-N 3.34Å; I82-T84 VanDerWaalsContact O-N 3.16Å
83	S	52.9	Low	63.3	Low	29 Å²	29	94.7 Å²	94.7	20%	0.203	47%	0.471	C	S	.	.	H	α-helix	trans	-65.8	-23.7	-166.9	-140.5	0	0	0	0	115.7	F18 L86 T87	F18-S83 WeakPolarHBondContact CD2-OG 3.29Å; F18-S83 WeakPolarHBondContact CE1-OG 3.29Å; F18-S83 WeakPolarHBondContact CE2-OG 3.28Å; F18-S83 WeakPolarHBondContact CZ-O 3.44Å; F18-S83 WeakPolarHBondContact CZ-OG 3.25Å; S83-L86 PolarHBondContact O-N 2.92Å; S83-T87 PolarHBondContact O-N 2.82Å; S83-T87 PolarHBondContact O-OG1 3.13Å
84	T	58.6	Low	63.1	Low	85 Å²	85	95.2 Å²	95.2	52%	0.521	47%	0.47	S	S	.	.	H	α-helix	trans	-68.8	-39.2	-176.4	32.7	0	0	0	0	113.4	I82 L86 T87 L88	I82-T84 VanDerWaalsContact C-N 3.31Å; I82-T84 PolarHBondContact O-N 3.34Å; I82-T84 VanDerWaalsContact O-N 3.16Å; T84-L86 VanDerWaalsContact C-N 3.33Å; T84-L86 PolarHBondContact O-N 2.99Å; T84-T87 WeakPolarHBondContact CA-OG1 3.31Å; T84-T87 PolarHBondContact O-OG1 2.76Å; T84-L88 PolarHBondContact O-N 3.42Å
85	H	58.8	Low	63	Low	146 Å²	146	92.4 Å²	92.4	68%	0.676	46%	0.458	S	S	*	.	H	α-helix	trans	-70.4	-33.8	178.8	-69.6	-69	0	0	0	112.1	L88 L89	H85-L88 PolarHBondContact O-N 2.84Å; H85-L89 PolarHBondContact O-N 3.3Å; H85-L89 VanDerWaalsContact O-N 3.08Å
86	L	58.1	Low	63.3	Low	40 Å²	40	96.1 Å²	96.1	21%	0.209	47%	0.472	C	S	.	.	H	α-helix	trans	-75.3	-32.2	-177.1	-157.6	62.1	0	0	0	112.5	L72 S83 T84 L89 N90	L72-L86 HydrophobicContact CB-CD2 4.29Å; L72-L86 HydrophobicContact CD1-CG 4.34Å; L72-L86 HydrophobicContact CG-CD2 3.91Å; L72-L86 HydrophobicContact CG-CG 4.05Å; S83-L86 PolarHBondContact O-N 2.92Å; T84-L86 VanDerWaalsContact C-N 3.33Å; T84-L86 PolarHBondContact O-N 2.99Å; L86-L89 HydrophobicContact CD1-CD2 4.45Å; L86-N90 WeakPolarHBondContact O-CB 3.45Å; L86-N90 PolarHBondContact O-N 3.28Å; L86-N90 VanDerWaalsContact O-N 3.07Å
87	T	63.4	Low	63.4	Low	25 Å²	25	96.2 Å²	96.2	15%	0.153	47%	0.469	C	S	.	.	H	α-helix	trans	-63.4	-45.3	170.1	14.4	0	0	0	0	111.3	F18 S83 T84 L89 N90 R91	F18-T87 HydrophobicContact CD1-CG2 4.14Å; F18-T87 HydrophobicContact CE1-CG2 3.18Å; F18-T87 HydrophobicContact CE2-CG2 4.26Å; F18-T87 HydrophobicContact CZ-CG2 3.22Å; S83-T87 PolarHBondContact O-N 2.82Å; S83-T87 PolarHBondContact O-OG1 3.13Å; T84-T87 WeakPolarHBondContact CA-OG1 3.31Å; T84-T87 PolarHBondContact O-OG1 2.76Å; T87-L89 VanDerWaalsContact C-N 3.35Å; T87-N90 PolarHBondContact O-N 3.17Å; T87-R91 WeakPolarHBondContact O-CG 3.43Å; T87-R91 PolarHBondContact O-N 3.14Å
88	L	63.2	Low	63.7	Low	126 Å²	126	90.5 Å²	90.5	66%	0.66	45%	0.449	S	S	*	.	H	α-helix	trans	-63.6	-43.1	-178.3	-166.7	136	0	0	0	111.2	T84 H85 N90 R91 A92	T84-L88 PolarHBondContact O-N 3.42Å; H85-L88 PolarHBondContact O-N 2.84Å; L88-N90 VanDerWaalsContact C-N 3.3Å; L88-N90 PolarHBondContact O-N 2.91Å; L88-R91 PolarHBondContact O-N 2.88Å; L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 3.44Å
89	L	65.7	Low	63.9	Low	92 Å²	92	86.3 Å²	86.3	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-58.4	-44.6	173	-173.9	69.1	0	0	0	111.4	H85 L86 T87 R91 A92 M93	H85-L89 PolarHBondContact O-N 3.3Å; H85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 HydrophobicContact CD1-CD2 4.45Å; T87-L89 VanDerWaalsContact C-N 3.35Å; L89-R91 PolarHBondContact O-N 3.25Å; L89-A92 PolarHBondContact O-N 3.02Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.42Å; L89-M93 PolarHBondContact O-N 3.47Å
90	N	63.4	Low	64.3	Low	8 Å²	8	81.6 Å²	81.6	4%	0.043	43%	0.431	C	S	.	.	H	α-helix	trans	-65.7	-40.2	-179.4	-174	43	0	0	0	113.2	L21 K25 L72 L86 T87 L88 M93 F94	L21-N90 WeakPolarHBondContact CD2-ND2 3.43Å; K25-N90 WeakPolarHBondContact CE-ND2 3.48Å; K25-N90 WeakPolarHBondContact CE-OD1 3.22Å; K25-N90 PolarHBondContact NZ-ND2 2.93Å; K25-N90 PolarHBondContact NZ-OD1 2.85Å; L72-N90 HydrophobicContact CD1-CB 3.92Å; L86-N90 WeakPolarHBondContact O-CB 3.45Å; L86-N90 PolarHBondContact O-N 3.28Å; L86-N90 VanDerWaalsContact O-N 3.07Å; T87-N90 PolarHBondContact O-N 3.17Å; L88-N90 VanDerWaalsContact C-N 3.3Å; L88-N90 PolarHBondContact O-N 2.91Å; N90-M93 PolarHBondContact O-N 3.23Å; N90-F94 PolarHBondContact O-N 3.46Å
91	R	66.4	Low	64.9	Low	126 Å²	126	72.6 Å²	72.6	48%	0.475	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-45.3	175.1	-71.2	178.2	170.2	-145.3	1.8	110.9	T87 L88 L89 M93 F94 V95 M139	T87-R91 WeakPolarHBondContact O-CG 3.43Å; T87-R91 PolarHBondContact O-N 3.14Å; L88-R91 PolarHBondContact O-N 2.88Å; L89-R91 PolarHBondContact O-N 3.25Å; R91-M93 VanDerWaalsContact C-N 3.32Å; R91-M93 PolarHBondContact O-N 3.27Å; R91-F94 PolarHBondContact O-N 2.9Å; R91-V95 WeakPolarHBondContact O-CG2 3.41Å; R91-V95 PolarHBondContact O-N 3.13Å; R91-M139 HydrophobicContact CB-CE 3.92Å; R91-M139 VanDerWaalsContact CD-CE 3.49Å; R91-M139 HydrophobicContact CG-CE 3.66Å
92	A	69.7	Low	65.3	Low	43 Å²	43	70.6 Å²	70.6	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-58.6	-44.2	176.2	0	0	0	0	0	111.7	L88 L89 F94 V95 I96	L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 3.44Å; L89-A92 PolarHBondContact O-N 3.02Å; A92-F94 PolarHBondContact O-N 3.13Å; A92-V95 PolarHBondContact O-N 3.16Å; A92-I96 WeakPolarHBondContact O-CD1 3.34Å; A92-I96 WeakPolarHBondContact O-CG1 3.4Å; A92-I96 PolarHBondContact O-N 3.33Å
93	M	70	Confident	65.9	Low	57 Å²	57	67.8 Å²	67.8	28%	0.281	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-37.3	178.6	-70.5	-61.5	-72.9	0	0	112.9	I64 I68 L89 N90 R91 I96 F97	I64-M93 HydrophobicContact CG2-CE 4.11Å; I68-M93 HydrophobicContact CD1-CE 3.52Å; I68-M93 HydrophobicContact CD1-CG 4.05Å; I68-M93 HydrophobicContact CD1-SD 4.47Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.42Å; L89-M93 PolarHBondContact O-N 3.47Å; N90-M93 PolarHBondContact O-N 3.23Å; R91-M93 VanDerWaalsContact C-N 3.32Å; R91-M93 PolarHBondContact O-N 3.27Å; M93-I96 HydrophobicContact SD-CD1 4.42Å; M93-F97 VanDerWaalsContact O-CB 3.31Å; M93-F97 WeakPolarHBondContact O-CB 3.34Å; M93-F97 PolarHBondContact O-N 3.42Å
94	F	67.1	Low	66.7	Low	90 Å²	90	67.6 Å²	67.6	40%	0.395	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-41.6	175.5	-166.8	-98.6	0	0	0	112	N90 R91 A92 F97 F98	N90-F94 PolarHBondContact O-N 3.46Å; R91-F94 PolarHBondContact O-N 2.9Å; A92-F94 PolarHBondContact O-N 3.13Å; F94-F97 WeakPolarHBondContact O-CB 3.17Å; F94-F97 PolarHBondContact O-N 2.91Å; F94-F98 AromaticContact CD1-CD2 3.73Å; F94-F98 HydrophobicContact CD1-CD2 3.73Å; F94-F98 HydrophobicContact CD1-CE2 4.03Å; F94-F98 HydrophobicContact CD2-CD2 4.32Å; F94-F98 HydrophobicContact CD2-CE2 4.19Å; F94-F98 AromaticContact CE1-CD2 3.43Å; F94-F98 HydrophobicContact CE1-CD2 3.43Å; F94-F98 VanDerWaalsContact CE1-CD2 3.43Å; F94-F98 AromaticContact CE1-CE2 3.3Å; F94-F98 HydrophobicContact CE1-CE2 3.3Å; F94-F98 HydrophobicContact CE1-CG 4.41Å; F94-F98 HydrophobicContact CE1-CZ 4.16Å; F94-F98 HydrophobicContact CE2-CD2 4.08Å; F94-F98 AromaticContact CE2-CE2 3.52Å; F94-F98 HydrophobicContact CE2-CE2 3.52Å; F94-F98 HydrophobicContact CG-CD2 4.2Å; F94-F98 HydrophobicContact CG-CE2 4.45Å; F94-F98 AromaticContact CZ-CD2 3.66Å; F94-F98 HydrophobicContact CZ-CD2 3.66Å; F94-F98 AromaticContact CZ-CE2 3.04Å; F94-F98 HydrophobicContact CZ-CE2 3.04Å; F94-F98 AromaticContact CZ-CZ 3.85Å; F94-F98 HydrophobicContact CZ-CZ 3.85Å; F94-F98 WeakPolarHBondContact O-CD2 3.36Å; F94-F98 PolarHBondContact O-N 2.84Å
95	V	67.8	Low	67	Low	56 Å²	56	67.6 Å²	67.6	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-47	175.7	173.1	0	0	0	0	110.7	R91 A92 F97 F98 Q99	R91-V95 WeakPolarHBondContact O-CG2 3.41Å; R91-V95 PolarHBondContact O-N 3.13Å; A92-V95 PolarHBondContact O-N 3.16Å; V95-F97 VanDerWaalsContact C-N 3.28Å; V95-F97 PolarHBondContact O-N 3.24Å; V95-F98 PolarHBondContact O-N 3.44Å; V95-Q99 VanDerWaalsContact O-CB 3.25Å; V95-Q99 WeakPolarHBondContact O-CB 3.46Å; V95-Q99 PolarHBondContact O-N 2.9Å
96	I	72.4	Confident	67.1	Low	98 Å²	98	61.4 Å²	61.4	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-42.2	177.1	-67.2	163.3	0	0	0	110.5	A92 M93 Q99 A100	A92-I96 WeakPolarHBondContact O-CD1 3.34Å; A92-I96 WeakPolarHBondContact O-CG1 3.4Å; A92-I96 PolarHBondContact O-N 3.33Å; M93-I96 HydrophobicContact SD-CD1 4.42Å; I96-Q99 PolarHBondContact O-N 3.28Å; I96-A100 VanDerWaalsContact O-CB 3.29Å; I96-A100 WeakPolarHBondContact O-CB 3.49Å; I96-A100 PolarHBondContact O-N 2.88Å
97	F	70.5	Confident	67.5	Low	40 Å²	40	64.3 Å²	64.3	18%	0.175	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-55.1	175.9	-176.5	-84.4	0	0	0	110.9	I61 M93 F94 V95 Q99 A100 F101	I61-F97 HydrophobicContact CB-CE2 4.29Å; I61-F97 HydrophobicContact CG2-CD2 3.27Å; I61-F97 HydrophobicContact CG2-CE2 3.3Å; M93-F97 VanDerWaalsContact O-CB 3.31Å; M93-F97 WeakPolarHBondContact O-CB 3.34Å; M93-F97 PolarHBondContact O-N 3.42Å; F94-F97 WeakPolarHBondContact O-CB 3.17Å; F94-F97 PolarHBondContact O-N 2.91Å; V95-F97 VanDerWaalsContact C-N 3.28Å; V95-F97 PolarHBondContact O-N 3.24Å; F97-Q99 VanDerWaalsContact C-N 3.26Å; F97-Q99 PolarHBondContact O-N 3.43Å; F97-A100 PolarHBondContact O-N 3.38Å; F97-F101 AromaticContact CD1-CD2 3.63Å; F97-F101 HydrophobicContact CD1-CD2 3.63Å; F97-F101 HydrophobicContact CD1-CE2 4.23Å; F97-F101 HydrophobicContact CD1-CG 4.38Å; F97-F101 AromaticContact CD2-CD2 3.73Å; F97-F101 HydrophobicContact CD2-CD2 3.73Å; F97-F101 AromaticContact CD2-CE2 3.57Å; F97-F101 HydrophobicContact CD2-CE2 3.57Å; F97-F101 AromaticContact CE1-CD2 3.39Å; F97-F101 HydrophobicContact CE1-CD2 3.39Å; F97-F101 AromaticContact CE1-CE2 3.8Å; F97-F101 HydrophobicContact CE1-CE2 3.8Å; F97-F101 AromaticContact CE1-CG 3.95Å; F97-F101 HydrophobicContact CE1-CG 3.95Å; F97-F101 AromaticContact CE2-CD2 3.51Å; F97-F101 HydrophobicContact CE2-CD2 3.51Å; F97-F101 AromaticContact CE2-CE2 3.06Å; F97-F101 HydrophobicContact CE2-CE2 3.06Å; F97-F101 AromaticContact CE2-CZ 3.91Å; F97-F101 HydrophobicContact CE2-CZ 3.91Å; F97-F101 AromaticContact CG-CD2 3.78Å; F97-F101 HydrophobicContact CG-CD2 3.78Å; F97-F101 HydrophobicContact CG-CE2 4.12Å; F97-F101 AromaticContact CZ-CD2 3.32Å; F97-F101 HydrophobicContact CZ-CD2 3.32Å; F97-F101 HydrophobicContact CZ-CE1 4.5Å; F97-F101 AromaticContact CZ-CE2 3.18Å; F97-F101 HydrophobicContact CZ-CE2 3.18Å; F97-F101 HydrophobicContact CZ-CG 4.08Å; F97-F101 AromaticContact CZ-CZ 3.84Å; F97-F101 HydrophobicContact CZ-CZ 3.84Å; F97-F101 WeakPolarHBondContact O-CB 3.25Å; F97-F101 VanDerWaalsContact O-CD2 3.29Å; F97-F101 WeakPolarHBondContact O-CD2 3.29Å; F97-F101 PolarHBondContact O-N 3.26Å
98	F	71.6	Confident	67.3	Low	90 Å²	90	66 Å²	66	40%	0.395	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-34.8	-179.7	-94.9	-91.7	0	0	0	112.7	F94 V95 G102	F94-F98 AromaticContact CD1-CD2 3.73Å; F94-F98 HydrophobicContact CD1-CD2 3.73Å; F94-F98 HydrophobicContact CD1-CE2 4.03Å; F94-F98 HydrophobicContact CD2-CD2 4.32Å; F94-F98 HydrophobicContact CD2-CE2 4.19Å; F94-F98 AromaticContact CE1-CD2 3.43Å; F94-F98 HydrophobicContact CE1-CD2 3.43Å; F94-F98 VanDerWaalsContact CE1-CD2 3.43Å; F94-F98 AromaticContact CE1-CE2 3.3Å; F94-F98 HydrophobicContact CE1-CE2 3.3Å; F94-F98 HydrophobicContact CE1-CG 4.41Å; F94-F98 HydrophobicContact CE1-CZ 4.16Å; F94-F98 HydrophobicContact CE2-CD2 4.08Å; F94-F98 AromaticContact CE2-CE2 3.52Å; F94-F98 HydrophobicContact CE2-CE2 3.52Å; F94-F98 HydrophobicContact CG-CD2 4.2Å; F94-F98 HydrophobicContact CG-CE2 4.45Å; F94-F98 AromaticContact CZ-CD2 3.66Å; F94-F98 HydrophobicContact CZ-CD2 3.66Å; F94-F98 AromaticContact CZ-CE2 3.04Å; F94-F98 HydrophobicContact CZ-CE2 3.04Å; F94-F98 AromaticContact CZ-CZ 3.85Å; F94-F98 HydrophobicContact CZ-CZ 3.85Å; F94-F98 WeakPolarHBondContact O-CD2 3.36Å; F94-F98 PolarHBondContact O-N 2.84Å; V95-F98 PolarHBondContact O-N 3.44Å; F98-G102 WeakPolarHBondContact O-CA 3.3Å; F98-G102 PolarHBondContact O-N 3.02Å
99	Q	71.2	Confident	67.3	Low	121 Å²	121	63 Å²	63	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-70.8	-43.1	177.6	-164	168.8	15	0	0	111.6	V95 I96 F97 A103	V95-Q99 VanDerWaalsContact O-CB 3.25Å; V95-Q99 WeakPolarHBondContact O-CB 3.46Å; V95-Q99 PolarHBondContact O-N 2.9Å; I96-Q99 PolarHBondContact O-N 3.28Å; F97-Q99 VanDerWaalsContact C-N 3.26Å; F97-Q99 PolarHBondContact O-N 3.43Å; Q99-A103 WeakPolarHBondContact O-CB 3.39Å; Q99-A103 PolarHBondContact O-N 3.1Å
100	A	68.4	Low	67.3	Low	54 Å²	54	60.3 Å²	60.3	45%	0.446	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-45.1	176.5	0	0	0	0	0	111.9	I96 F97 S104	I96-A100 VanDerWaalsContact O-CB 3.29Å; I96-A100 WeakPolarHBondContact O-CB 3.49Å; I96-A100 PolarHBondContact O-N 2.88Å; F97-A100 PolarHBondContact O-N 3.38Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 2.81Å
101	F	69.7	Low	67.3	Low	23 Å²	23	64.9 Å²	64.9	10%	0.101	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-44.2	177.6	-86.2	-80.9	0	0	0	112.1	Y54 L58 I61 F97 A103 S104 I105	Y54-F101 HydrophobicContact CE2-CD1 4.47Å; Y54-F101 HydrophobicContact CE2-CE1 4.13Å; L58-F101 HydrophobicContact CD2-CD1 4.43Å; L58-F101 HydrophobicContact CD2-CE1 3.27Å; L58-F101 HydrophobicContact CD2-CZ 3.32Å; L58-F101 HydrophobicContact CG-CE1 3.7Å; L58-F101 HydrophobicContact CG-CZ 3.83Å; I61-F101 HydrophobicContact CD1-CE2 3.59Å; I61-F101 HydrophobicContact CD1-CZ 3.87Å; I61-F101 HydrophobicContact CG2-CE2 4.32Å; F97-F101 AromaticContact CD1-CD2 3.63Å; F97-F101 HydrophobicContact CD1-CD2 3.63Å; F97-F101 HydrophobicContact CD1-CE2 4.23Å; F97-F101 HydrophobicContact CD1-CG 4.38Å; F97-F101 AromaticContact CD2-CD2 3.73Å; F97-F101 HydrophobicContact CD2-CD2 3.73Å; F97-F101 AromaticContact CD2-CE2 3.57Å; F97-F101 HydrophobicContact CD2-CE2 3.57Å; F97-F101 AromaticContact CE1-CD2 3.39Å; F97-F101 HydrophobicContact CE1-CD2 3.39Å; F97-F101 AromaticContact CE1-CE2 3.8Å; F97-F101 HydrophobicContact CE1-CE2 3.8Å; F97-F101 AromaticContact CE1-CG 3.95Å; F97-F101 HydrophobicContact CE1-CG 3.95Å; F97-F101 AromaticContact CE2-CD2 3.51Å; F97-F101 HydrophobicContact CE2-CD2 3.51Å; F97-F101 AromaticContact CE2-CE2 3.06Å; F97-F101 HydrophobicContact CE2-CE2 3.06Å; F97-F101 AromaticContact CE2-CZ 3.91Å; F97-F101 HydrophobicContact CE2-CZ 3.91Å; F97-F101 AromaticContact CG-CD2 3.78Å; F97-F101 HydrophobicContact CG-CD2 3.78Å; F97-F101 HydrophobicContact CG-CE2 4.12Å; F97-F101 AromaticContact CZ-CD2 3.32Å; F97-F101 HydrophobicContact CZ-CD2 3.32Å; F97-F101 HydrophobicContact CZ-CE1 4.5Å; F97-F101 AromaticContact CZ-CE2 3.18Å; F97-F101 HydrophobicContact CZ-CE2 3.18Å; F97-F101 HydrophobicContact CZ-CG 4.08Å; F97-F101 AromaticContact CZ-CZ 3.84Å; F97-F101 HydrophobicContact CZ-CZ 3.84Å; F97-F101 WeakPolarHBondContact O-CB 3.25Å; F97-F101 VanDerWaalsContact O-CD2 3.29Å; F97-F101 WeakPolarHBondContact O-CD2 3.29Å; F97-F101 PolarHBondContact O-N 3.26Å; F101-A103 VanDerWaalsContact C-N 3.33Å; F101-A103 PolarHBondContact O-N 2.93Å; F101-S104 PolarHBondContact O-N 3.13Å; F101-I105 WeakPolarHBondContact O-CB 3.14Å; F101-I105 VanDerWaalsContact O-CG1 3.24Å; F101-I105 WeakPolarHBondContact O-CG1 3.41Å; F101-I105 PolarHBondContact O-N 3.27Å
102	G	68.3	Low	67.1	Low	25 Å²	25	62 Å²	62	26%	0.258	35%	0.352	S	S	.	.	H	α-helix	trans	-57.1	-47.2	174.5	0	0	0	0	0	111.2	F98 T106	F98-G102 WeakPolarHBondContact O-CA 3.3Å; F98-G102 PolarHBondContact O-N 3.02Å; G102-T106 VanDerWaalsContact O-CB 3.24Å; G102-T106 WeakPolarHBondContact O-CB 3.46Å; G102-T106 PolarHBondContact O-N 3.32Å; G102-T106 PolarHBondContact O-OG1 3.24Å
103	A	67.2	Low	66.5	Low	49 Å²	49	61.6 Å²	61.6	41%	0.405	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-44.5	175.4	0	0	0	0	0	112.3	Q99 F101 T106 I107	Q99-A103 WeakPolarHBondContact O-CB 3.39Å; Q99-A103 PolarHBondContact O-N 3.1Å; F101-A103 VanDerWaalsContact C-N 3.33Å; F101-A103 PolarHBondContact O-N 2.93Å; A103-T106 WeakPolarHBondContact O-CB 3.41Å; A103-T106 PolarHBondContact O-N 3.33Å; A103-I107 WeakPolarHBondContact O-CD1 3.4Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 3.07Å
104	S	68.6	Low	65.8	Low	26 Å²	26	66.4 Å²	66.4	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-46.9	179.4	-168.3	0	0	0	0	112.2	A100 F101 T106 I107 S108	A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 2.81Å; F101-S104 PolarHBondContact O-N 3.13Å; S104-T106 VanDerWaalsContact C-N 3.27Å; S104-T106 PolarHBondContact O-N 2.92Å; S104-I107 PolarHBondContact O-N 3.02Å; S104-S108 WeakPolarHBondContact O-CB 3.37Å; S104-S108 PolarHBondContact O-N 3.46Å; S104-S108 PolarHBondContact O-OG 2.92Å
105	I	64.8	Low	65.3	Low	84 Å²	84	68 Å²	68	43%	0.431	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177.5	-68.5	164.7	0	0	0	109.9	F101 S108 I109	F101-I105 WeakPolarHBondContact O-CB 3.14Å; F101-I105 VanDerWaalsContact O-CG1 3.24Å; F101-I105 WeakPolarHBondContact O-CG1 3.41Å; F101-I105 PolarHBondContact O-N 3.27Å; I105-S108 PolarHBondContact O-N 2.99Å; I105-I109 HydrophobicContact CG2-CD1 3.55Å; I105-I109 HydrophobicContact CG2-CG1 4.25Å; I105-I109 WeakPolarHBondContact O-CB 3.2Å; I105-I109 VanDerWaalsContact O-CG1 3.22Å; I105-I109 WeakPolarHBondContact O-CG1 3.08Å; I105-I109 PolarHBondContact O-N 3.04Å
106	T	61.9	Low	64.6	Low	16 Å²	16	73.6 Å²	73.6	10%	0.098	39%	0.385	C	S	.	.	H	α-helix	trans	-61.4	-48.6	177.3	-59.1	0	0	0	0	111.3	G102 A103 S104 S108 I109 T110 T130 F132	G102-T106 VanDerWaalsContact O-CB 3.24Å; G102-T106 WeakPolarHBondContact O-CB 3.46Å; G102-T106 PolarHBondContact O-N 3.32Å; G102-T106 PolarHBondContact O-OG1 3.24Å; A103-T106 WeakPolarHBondContact O-CB 3.41Å; A103-T106 PolarHBondContact O-N 3.33Å; S104-T106 VanDerWaalsContact C-N 3.27Å; S104-T106 PolarHBondContact O-N 2.92Å; T106-S108 VanDerWaalsContact C-N 3.35Å; T106-S108 PolarHBondContact O-N 3.37Å; T106-I109 PolarHBondContact O-N 3.49Å; T106-T110 WeakPolarHBondContact O-CB 3.2Å; T106-T110 PolarHBondContact O-N 3.46Å; T106-T110 PolarHBondContact O-OG1 2.89Å; T106-T130 VanDerWaalsContact CG2-CB 3.46Å; T106-T130 HydrophobicContact CG2-CG2 3.9Å; T106-T130 WeakPolarHBondContact CG2-OG1 3.48Å; T106-F132 HydrophobicContact CG2-CE2 4.01Å; T106-F132 WeakPolarHBondContact OG1-CE2 3.46Å
107	I	65.8	Low	63.7	Low	102 Å²	102	72.2 Å²	72.2	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-44.6	177.4	-66.8	162.7	0	0	0	110.5	A103 S104 I109 T110 L111	A103-I107 WeakPolarHBondContact O-CD1 3.4Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 3.07Å; S104-I107 PolarHBondContact O-N 3.02Å; I107-I109 PolarHBondContact O-N 2.93Å; I107-T110 PolarHBondContact O-N 3.44Å; I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 HydrophobicContact CG2-CG 4.26Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.28Å
108	S	59.4	Low	62.7	Low	61 Å²	61	74.6 Å²	74.6	43%	0.427	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.6	-65.4	0	0	0	0	112.4	S104 I105 T106 L111 C112	S104-S108 WeakPolarHBondContact O-CB 3.37Å; S104-S108 PolarHBondContact O-N 3.46Å; S104-S108 PolarHBondContact O-OG 2.92Å; I105-S108 PolarHBondContact O-N 2.99Å; T106-S108 VanDerWaalsContact C-N 3.35Å; T106-S108 PolarHBondContact O-N 3.37Å; S108-L111 PolarHBondContact O-N 2.84Å; S108-C112 WeakPolarHBondContact O-CB 3.43Å; S108-C112 PolarHBondContact O-N 3.2Å
109	I	64.5	Low	61.7	Low	61 Å²	61	78.1 Å²	78.1	31%	0.313	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-42.1	175.7	-70.8	168.5	0	0	0	110.5	I105 T106 I107 C112 S113	I105-I109 HydrophobicContact CG2-CD1 3.55Å; I105-I109 HydrophobicContact CG2-CG1 4.25Å; I105-I109 WeakPolarHBondContact O-CB 3.2Å; I105-I109 VanDerWaalsContact O-CG1 3.22Å; I105-I109 WeakPolarHBondContact O-CG1 3.08Å; I105-I109 PolarHBondContact O-N 3.04Å; T106-I109 PolarHBondContact O-N 3.49Å; I107-I109 PolarHBondContact O-N 2.93Å; I109-C112 PolarHBondContact O-N 3Å; I109-S113 VanDerWaalsContact O-CB 3.31Å; I109-S113 WeakPolarHBondContact O-CB 3.31Å; I109-S113 PolarHBondContact O-N 2.94Å; I109-S113 PolarHBondContact O-OG 2.95Å
110	T	63.9	Low	60.8	Low	36 Å²	36	76 Å²	76	22%	0.221	41%	0.406	C	S	.	.	H	α-helix	trans	-65.3	-43.8	178	-62	0	0	0	0	111.5	T106 I107 S113 R114 V128	T106-T110 WeakPolarHBondContact O-CB 3.2Å; T106-T110 PolarHBondContact O-N 3.46Å; T106-T110 PolarHBondContact O-OG1 2.89Å; I107-T110 PolarHBondContact O-N 3.44Å; T110-S113 PolarHBondContact O-N 3.46Å; T110-R114 WeakPolarHBondContact O-CB 3.45Å; T110-R114 PolarHBondContact O-N 3.34Å; T110-V128 HydrophobicContact CG2-CB 4.31Å
111	L	64.4	Low	59.9	Low	104 Å²	104	76.7 Å²	76.7	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-41.5	175.9	-71.6	175.4	0	0	0	112.1	I107 S108 R114 K115	I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 HydrophobicContact CG2-CG 4.26Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.28Å; S108-L111 PolarHBondContact O-N 2.84Å; L111-R114 WeakPolarHBondContact O-CB 3.21Å; L111-R114 PolarHBondContact O-N 2.9Å; L111-K115 PolarHBondContact O-N 3.2Å
112	C	61.5	Low	58.9	Low	65 Å²	65	82.3 Å²	82.3	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-63.3	-46.2	175.7	-170.7	0	0	0	0	111	S108 I109 R114 K115 Y116	S108-C112 WeakPolarHBondContact O-CB 3.43Å; S108-C112 PolarHBondContact O-N 3.2Å; I109-C112 PolarHBondContact O-N 3Å; C112-R114 VanDerWaalsContact C-N 3.26Å; C112-R114 PolarHBondContact O-N 3.43Å; C112-K115 PolarHBondContact O-N 3.15Å; C112-K115 VanDerWaalsContact O-N 3.14Å; C112-Y116 WeakPolarHBondContact O-CD2 3.46Å; C112-Y116 PolarHBondContact O-N 2.96Å; C112-Y116 VanDerWaalsContact SG-CE2 3.6Å
113	S	57.2	Low	58	Low	36 Å²	36	84.7 Å²	84.7	25%	0.252	46%	0.463	S	S	.	.	H	α-helix	trans	-57.5	-41.4	175	-58.2	0	0	0	0	111	I109 T110 K115 F117	I109-S113 VanDerWaalsContact O-CB 3.31Å; I109-S113 WeakPolarHBondContact O-CB 3.31Å; I109-S113 PolarHBondContact O-N 2.94Å; I109-S113 PolarHBondContact O-OG 2.95Å; T110-S113 PolarHBondContact O-N 3.46Å; S113-K115 PolarHBondContact O-N 3.47Å; S113-F117 WeakPolarHBondContact O-CB 3.25Å; S113-F117 PolarHBondContact O-N 3.36Å
114	R	55.4	Low	57	Low	157 Å²	157	85.6 Å²	85.6	59%	0.592	46%	0.464	S	S	*	.	H	α-helix	trans	-63.7	-40.5	177.2	-157.8	-177.8	-158.5	-168.9	6.4	112.9	T110 L111 C112 N118 Y126	T110-R114 WeakPolarHBondContact O-CB 3.45Å; T110-R114 PolarHBondContact O-N 3.34Å; L111-R114 WeakPolarHBondContact O-CB 3.21Å; L111-R114 PolarHBondContact O-N 2.9Å; C112-R114 VanDerWaalsContact C-N 3.26Å; C112-R114 PolarHBondContact O-N 3.43Å; R114-N118 VanDerWaalsContact O-CB 3.25Å; R114-N118 WeakPolarHBondContact O-CB 3.26Å; R114-N118 PolarHBondContact O-N 3.41Å; R114-Y126 WeakPolarHBondContact CA-OH 3.46Å; R114-Y126 PolarHBondContact O-OH 3.4Å; R114-Y126 VanDerWaalsContact O-OH 3.07Å
115	K	56.8	Low	56.2	Low	124 Å²	124	91.6 Å²	91.6	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-49.1	178.7	-167	178	178.2	-177.4	0	111	E47 L111 C112 S113 F117 E119	E47-K115 IonicContact OE1-NZ 2.89Å; E47-K115 PolarHBondContact OE1-NZ 3.33Å; L111-K115 PolarHBondContact O-N 3.2Å; C112-K115 PolarHBondContact O-N 3.15Å; C112-K115 VanDerWaalsContact O-N 3.14Å; S113-K115 PolarHBondContact O-N 3.47Å; K115-F117 VanDerWaalsContact C-N 3.34Å; K115-F117 PolarHBondContact O-N 3.05Å; K115-E119 PolarHBondContact O-N 3.44Å
116	Y	52.3	Low	55.4	Low	174 Å²	174	89.7 Å²	89.7	68%	0.682	48%	0.481	S	S	*	.	H	α-helix	trans	-62.5	-36.7	178.9	-89.3	-84.6	0	0	0	112.9	C112 S120	C112-Y116 WeakPolarHBondContact O-CD2 3.46Å; C112-Y116 PolarHBondContact O-N 2.96Å; C112-Y116 VanDerWaalsContact SG-CE2 3.6Å; Y116-S120 PolarHBondContact O-N 3Å
117	F	54	Low	55	Low	69 Å²	69	94.3 Å²	94.3	30%	0.303	50%	0.502	S	S	.	.	H	α-helix	trans	-86.6	-31.2	-178.3	-118.7	-93.9	0	0	0	114.5	S113 K115 E119 S120 I121 Y126 Y150	S113-F117 WeakPolarHBondContact O-CB 3.25Å; S113-F117 PolarHBondContact O-N 3.36Å; K115-F117 VanDerWaalsContact C-N 3.34Å; K115-F117 PolarHBondContact O-N 3.05Å; F117-E119 PolarHBondContact O-N 3.39Å; F117-S120 WeakPolarHBondContact CA-OG 3.43Å; F117-S120 PolarHBondContact O-N 3.42Å; F117-S120 PolarHBondContact O-OG 2.6Å; F117-I121 HydrophobicContact CD1-CD1 3.93Å; F117-I121 HydrophobicContact CD1-CG1 4.13Å; F117-I121 HydrophobicContact CE1-CD1 3.42Å; F117-I121 VanDerWaalsContact CE1-CD1 3.42Å; F117-I121 HydrophobicContact CE1-CG1 4.06Å; F117-I121 HydrophobicContact CZ-CD1 4.4Å; F117-I121 PolarHBondContact O-N 3.34Å; F117-Y126 HydrophobicContact CB-CE1 3.99Å; F117-Y126 HydrophobicContact CB-CE2 4.16Å; F117-Y126 VanDerWaalsContact CB-OH 3.28Å; F117-Y126 WeakPolarHBondContact CB-OH 3.44Å; F117-Y126 HydrophobicContact CD1-CE1 4.31Å; F117-Y150 AromaticContact CE1-CE1 3.82Å; F117-Y150 HydrophobicContact CE1-CE1 3.82Å; F117-Y150 HydrophobicContact CZ-CE1 4.17Å; F117-Y150 WeakPolarHBondContact CZ-OH 3.5Å
118	N	49.6	Very low	54.2	Low	90 Å²	90	90.6 Å²	90.6	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-30.1	171.8	-86.4	4.1	0	0	0	112	R114 Y126	R114-N118 VanDerWaalsContact O-CB 3.25Å; R114-N118 WeakPolarHBondContact O-CB 3.26Å; R114-N118 PolarHBondContact O-N 3.41Å; N118-Y126 PolarHBondContact N-OH 3.25Å; N118-Y126 PolarHBondContact OD1-OH 2.96Å; N118-Y126 VanDerWaalsContact OD1-OH 3.07Å
119	E	51.8	Low	53.9	Low	163 Å²	163	91.6 Å²	91.6	76%	0.762	48%	0.484	S	S	*	.	H	α-helix	trans	-78.1	-30.4	175.8	-152.7	167.9	-168.3	0	0	111.9	K115 F117	K115-E119 PolarHBondContact O-N 3.44Å; F117-E119 PolarHBondContact O-N 3.39Å
120	S	52.4	Low	53.3	Low	76 Å²	76	90.6 Å²	90.6	53%	0.531	48%	0.481	S	S	.	.	H	α-helix	trans	-85.5	-28.7	-179.7	72.7	0	0	0	0	114.6	Y116 F117	Y116-S120 PolarHBondContact O-N 3Å; F117-S120 WeakPolarHBondContact CA-OG 3.43Å; F117-S120 PolarHBondContact O-N 3.42Å; F117-S120 PolarHBondContact O-OG 2.6Å
121	I	49.2	Very low	52.8	Low	69 Å²	69	93.3 Å²	93.3	35%	0.354	49%	0.491	S	S	.	.			trans	-136.8	89.1	-178.3	-47.7	-173.1	0	0	0	110	F117 G123 T124	F117-I121 HydrophobicContact CD1-CD1 3.93Å; F117-I121 HydrophobicContact CD1-CG1 4.13Å; F117-I121 HydrophobicContact CE1-CD1 3.42Å; F117-I121 VanDerWaalsContact CE1-CD1 3.42Å; F117-I121 HydrophobicContact CE1-CG1 4.06Å; F117-I121 HydrophobicContact CZ-CD1 4.4Å; F117-I121 PolarHBondContact O-N 3.34Å; I121-G123 VanDerWaalsContact C-N 3.34Å; I121-G123 PolarHBondContact O-N 2.91Å; I121-T124 HydrophobicContact CG2-CG2 4.34Å
122	T	49	Very low	52	Low	141 Å²	141	92.4 Å²	92.4	87%	0.865	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	90.1	165	34.1	0	0	0	0	109.6
123	G	49.2	Very low	51.4	Low	76 Å²	76	96.8 Å²	96.8	78%	0.784	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.7	-2.1	162.2	0	0	0	0	0	119.7	I121	I121-G123 VanDerWaalsContact C-N 3.34Å; I121-G123 PolarHBondContact O-N 2.91Å
124	T	46.2	Very low	50.9	Low	68 Å²	68	99.2 Å²	99.2	42%	0.417	50%	0.497	S	S	.	.			trans	-111.3	124.5	177.3	54.1	0	0	0	0	112	I121 Y126	I121-T124 HydrophobicContact CG2-CG2 4.34Å; T124-Y126 VanDerWaalsContact O-CD1 3.31Å; T124-Y126 WeakPolarHBondContact O-CD1 3.25Å; T124-Y126 PolarHBondContact O-N 3.17Å
125	N	51.7	Low	50.4	Low	151 Å²	151	95.1 Å²	95.1	81%	0.807	49%	0.487	S	S	*	.			trans	-67.4	118.5	169.2	-74.6	-37.2	0	0	0	109.1	G151	N125-G151 WeakPolarHBondContact O-CA 2.92Å; N125-G151 PolarHBondContact O-N 3.46Å
126	Y	46.7	Very low	49.8	Very low	44 Å²	44	96.1 Å²	96.1	17%	0.173	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.7	170.7	60.2	-86.8	0	0	0	110.6	R114 F117 N118 T124 V128 T149	R114-Y126 WeakPolarHBondContact CA-OH 3.46Å; R114-Y126 PolarHBondContact O-OH 3.4Å; R114-Y126 VanDerWaalsContact O-OH 3.07Å; F117-Y126 HydrophobicContact CB-CE1 3.99Å; F117-Y126 HydrophobicContact CB-CE2 4.16Å; F117-Y126 VanDerWaalsContact CB-OH 3.28Å; F117-Y126 WeakPolarHBondContact CB-OH 3.44Å; F117-Y126 HydrophobicContact CD1-CE1 4.31Å; N118-Y126 PolarHBondContact N-OH 3.25Å; N118-Y126 PolarHBondContact OD1-OH 2.96Å; N118-Y126 VanDerWaalsContact OD1-OH 3.07Å; T124-Y126 VanDerWaalsContact O-CD1 3.31Å; T124-Y126 WeakPolarHBondContact O-CD1 3.25Å; T124-Y126 PolarHBondContact O-N 3.17Å; Y126-V128 HydrophobicContact CD2-CG2 4.05Å; Y126-V128 HydrophobicContact CE2-CG2 4.39Å; Y126-T149 CarbonylContact C-O 3.58Å; Y126-T149 WeakPolarHBondContact CA-O 3.22Å; Y126-T149 VanDerWaalsContact CB-O 3.22Å; Y126-T149 WeakPolarHBondContact CB-O 3.5Å
127	Q	53.3	Low	49.4	Very low	114 Å²	114	91.4 Å²	91.4	53%	0.533	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.3	177.4	-175.9	174.5	-20.5	0	0	108.2	D129 T149	Q127-D129 PolarHBondContact NE2-OD1 3.35Å; Q127-D129 PolarHBondContact NE2-OD2 2.94Å; Q127-T149 PolarHBondContact N-O 3.37Å; Q127-T149 PolarHBondContact O-N 2.89Å; Q127-T149 PolarHBondContact O-OG1 2.75Å
128	V	50.8	Low	49	Very low	24 Å²	24	90.9 Å²	90.9	15%	0.145	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.5	177.1	-176.1	0	0	0	0	107.6	T110 Y126 K147 F148	T110-V128 HydrophobicContact CG2-CB 4.31Å; Y126-V128 HydrophobicContact CD2-CG2 4.05Å; Y126-V128 HydrophobicContact CE2-CG2 4.39Å; V128-K147 WeakPolarHBondContact CA-O 2.91Å; V128-F148 HydrophobicContact CG1-CD1 4.16Å; V128-F148 HydrophobicContact CG1-CE1 3.98Å; V128-F148 HydrophobicContact CG2-CD1 3.88Å; V128-F148 HydrophobicContact CG2-CE1 4.16Å
129	D	52.1	Low	48.7	Very low	81 Å²	81	91.7 Å²	91.7	43%	0.433	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.3	176.3	-75.2	-33.2	0	0	0	109.5	Q127 K147	Q127-D129 PolarHBondContact NE2-OD1 3.35Å; Q127-D129 PolarHBondContact NE2-OD2 2.94Å; D129-K147 HydrophobicContact CB-CB 4.47Å; D129-K147 PolarHBondContact N-O 3.39Å; D129-K147 PolarHBondContact O-N 2.98Å
130	T	51.4	Low	48.1	Very low	41 Å²	41	89 Å²	89	25%	0.252	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.3	178.5	39.6	0	0	0	0	108.9	T106 R146	T106-T130 VanDerWaalsContact CG2-CB 3.46Å; T106-T130 HydrophobicContact CG2-CG2 3.9Å; T106-T130 WeakPolarHBondContact CG2-OG1 3.48Å; T130-R146 HydrophobicContact CG2-CB 4.34Å; T130-R146 HydrophobicContact CG2-CG 3.69Å
131	E	53.8	Low	47.6	Very low	92 Å²	92	88.6 Å²	88.6	43%	0.43	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.9	176.9	-168.4	179.7	162.9	0	0	109.5	R133 S145	E131-R133 IonicContact OE1-CZ 3.89Å; E131-R133 IonicContact OE1-NE 3.1Å; E131-R133 PolarHBondContact OE1-NE 3.49Å; E131-R133 IonicContact OE1-NH2 3.42Å; E131-R133 PolarHBondContact OE1-NH2 3.32Å; E131-R133 VanDerWaalsContact OE1-NH2 3.1Å; E131-S145 PolarHBondContact N-O 3.31Å; E131-S145 PolarHBondContact O-N 3.48Å
132	F	48.9	Very low	47.5	Very low	86 Å²	86	88.4 Å²	88.4	38%	0.377	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.5	171.7	-73.5	-87.8	0	0	0	109.3	T106 F134 A144	T106-F132 HydrophobicContact CG2-CE2 4.01Å; T106-F132 WeakPolarHBondContact OG1-CE2 3.46Å; F132-F134 HydrophobicContact CB-CD2 4.39Å; F132-F134 HydrophobicContact CB-CE2 3.69Å; F132-F134 HydrophobicContact CB-CZ 4.28Å; F132-A144 HydrophobicContact CD1-CB 3.89Å; F132-A144 HydrophobicContact CE1-CB 3.62Å; F132-A144 HydrophobicContact CZ-CB 4.48Å
133	R	47.2	Very low	47.4	Very low	157 Å²	157	83.9 Å²	83.9	59%	0.592	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	171.5	-74.5	-168	-176	-156.3	2.1	110.8	E131 I142 T143	E131-R133 IonicContact OE1-CZ 3.89Å; E131-R133 IonicContact OE1-NE 3.1Å; E131-R133 PolarHBondContact OE1-NE 3.49Å; E131-R133 IonicContact OE1-NH2 3.42Å; E131-R133 PolarHBondContact OE1-NH2 3.32Å; E131-R133 VanDerWaalsContact OE1-NH2 3.1Å; R133-I142 PolarHBondContact O-N 3.42Å; R133-I142 VanDerWaalsContact O-N 3.14Å; R133-T143 PolarHBondContact N-O 3.44Å; R133-T143 VanDerWaalsContact N-O 3.13Å
134	F	46.9	Very low	47.2	Very low	86 Å²	86	81.8 Å²	81.8	38%	0.377	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.9	173.9	-62.4	-87.2	0	0	0	109.2	F132 V141	F132-F134 HydrophobicContact CB-CD2 4.39Å; F132-F134 HydrophobicContact CB-CE2 3.69Å; F132-F134 HydrophobicContact CB-CZ 4.28Å; F134-V141 HydrophobicContact CD1-CG2 3.95Å; F134-V141 HydrophobicContact CE1-CB 4.46Å; F134-V141 HydrophobicContact CE1-CG1 4.29Å; F134-V141 HydrophobicContact CE1-CG2 3.66Å
135	D	44.8	Very low	47.4	Very low	72 Å²	72	79.3 Å²	79.3	39%	0.385	43%	0.425	S	S	.	.			trans	-85.5	114.1	166.4	-154.9	-27.6	0	0	0	108.9	G137 S138 M139 N140 I142	D135-G137 PolarHBondContact O-N 3.07Å; D135-G137 PolarHBondContact OD1-N 3.29Å; D135-S138 WeakPolarHBondContact CB-OG 3.3Å; D135-M139 PolarHBondContact O-N 3.41Å; D135-N140 PolarHBondContact N-O 2.95Å; D135-I142 HydrophobicContact CB-CD1 3.46Å; D135-I142 VanDerWaalsContact CB-CD1 3.46Å; D135-I142 HydrophobicContact CB-CG1 3.66Å
136	I	44.2	Very low	47.1	Very low	144 Å²	144	76.2 Å²	76.2	74%	0.738	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-27.2	175.8	-58.7	170.4	0	0	0	110.1
137	G	45	Very low	47.3	Very low	75 Å²	75	78 Å²	78	77%	0.773	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-38.3	-177.3	0	0	0	0	0	114.1	D135	D135-G137 PolarHBondContact O-N 3.07Å; D135-G137 PolarHBondContact OD1-N 3.29Å
138	S	45.7	Very low	46.9	Very low	59 Å²	59	74.6 Å²	74.6	41%	0.413	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-5.9	-176.7	64.7	0	0	0	0	114.6	D135 N140	D135-S138 WeakPolarHBondContact CB-OG 3.3Å; S138-N140 PolarHBondContact O-N 3.26Å; S138-N140 VanDerWaalsContact O-N 3.13Å
139	M	43	Very low	46.8	Very low	106 Å²	106	75.2 Å²	75.2	52%	0.522	40%	0.398	S	S	.	.			trans	57.4	16.5	-174.7	-66.7	-174.9	167.6	0	0	114.7	R91 D135	R91-M139 HydrophobicContact CB-CE 3.92Å; R91-M139 VanDerWaalsContact CD-CE 3.49Å; R91-M139 HydrophobicContact CG-CE 3.66Å; D135-M139 PolarHBondContact O-N 3.41Å
140	N	39.3	Very low	46	Very low	107 Å²	107	75.4 Å²	75.4	57%	0.572	39%	0.393	S	S	*	.			trans	-93	141.6	174.9	-72.5	-12.7	0	0	0	110.6	D135 S138 I142	D135-N140 PolarHBondContact N-O 2.95Å; S138-N140 PolarHBondContact O-N 3.26Å; S138-N140 VanDerWaalsContact O-N 3.13Å; N140-I142 PolarHBondContact O-N 2.99Å
141	V	41.3	Very low	46.1	Very low	67 Å²	67	75.1 Å²	75.1	41%	0.406	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	105.6	164	-174.9	0	0	0	0	106.1	F134	F134-V141 HydrophobicContact CD1-CG2 3.95Å; F134-V141 HydrophobicContact CE1-CB 4.46Å; F134-V141 HydrophobicContact CE1-CG1 4.29Å; F134-V141 HydrophobicContact CE1-CG2 3.66Å
142	I	48.3	Very low	45.9	Very low	66 Å²	66	79.1 Å²	79.1	34%	0.338	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-40.7	-173.8	-45	176.6	0	0	0	109.4	R133 D135 N140	R133-I142 PolarHBondContact O-N 3.42Å; R133-I142 VanDerWaalsContact O-N 3.14Å; D135-I142 HydrophobicContact CB-CD1 3.46Å; D135-I142 VanDerWaalsContact CB-CD1 3.46Å; D135-I142 HydrophobicContact CB-CG1 3.66Å; N140-I142 PolarHBondContact O-N 2.99Å
143	T	45.6	Very low	45.7	Very low	46 Å²	46	82.7 Å²	82.7	28%	0.282	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	133.2	-174.3	-40.3	0	0	0	0	110.4	R133	R133-T143 PolarHBondContact N-O 3.44Å; R133-T143 VanDerWaalsContact N-O 3.13Å
144	A	45.1	Very low	45.5	Very low	32 Å²	32	79.9 Å²	79.9	26%	0.264	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.1	160.4	0	0	0	0	0	107.4	F132 E160	F132-A144 HydrophobicContact CD1-CB 3.89Å; F132-A144 HydrophobicContact CE1-CB 3.62Å; F132-A144 HydrophobicContact CZ-CB 4.48Å; A144-E160 PolarHBondContact N-O 3.49Å; A144-E160 PolarHBondContact O-N 3.49Å; A144-E160 VanDerWaalsContact O-N 3.12Å
145	S	49.7	Very low	45.3	Very low	15 Å²	15	80.9 Å²	80.9	11%	0.105	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.4	175.2	166.7	0	0	0	0	109.4	E131 D157 F158 S159	E131-S145 PolarHBondContact N-O 3.31Å; E131-S145 PolarHBondContact O-N 3.48Å; S145-D157 PolarHBondContact OG-OD1 2.99Å; S145-F158 CarbonylContact C-O 3.56Å; S145-F158 WeakPolarHBondContact CA-O 3.26Å; S145-S159 VanDerWaalsContact CB-OG 3.29Å; S145-S159 WeakPolarHBondContact CB-OG 3.44Å; S145-S159 PolarHBondContact OG-OG 2.84Å
146	R	46.4	Very low	45.3	Very low	86 Å²	86	80 Å²	80	33%	0.325	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	109.8	174.8	-168.8	179.1	-62.1	-177.4	3.8	108.5	T130 F148 F158	T130-R146 HydrophobicContact CG2-CB 4.34Å; T130-R146 HydrophobicContact CG2-CG 3.69Å; R146-F148 HydrophobicContact CB-CE2 4.49Å; R146-F148 VanDerWaalsContact CD-CZ 3.45Å; R146-F148 HydrophobicContact CG-CD2 4.46Å; R146-F148 HydrophobicContact CG-CE2 3.74Å; R146-F148 HydrophobicContact CG-CZ 3.9Å; R146-F158 HydrophobicContact CB-CB 4.4Å; R146-F158 PolarHBondContact N-O 3.39Å; R146-F158 PolarHBondContact O-N 3.36Å
147	K	51.4	Low	45.5	Very low	83 Å²	83	76.8 Å²	76.8	36%	0.361	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.6	177.5	-73.3	175.3	179.2	170.1	0	110.2	V128 D129 V156 D157	V128-K147 WeakPolarHBondContact CA-O 2.91Å; D129-K147 HydrophobicContact CB-CB 4.47Å; D129-K147 PolarHBondContact N-O 3.39Å; D129-K147 PolarHBondContact O-N 2.98Å; K147-V156 WeakPolarHBondContact CA-O 3.4Å; K147-D157 WeakPolarHBondContact CE-OD2 3.44Å; K147-D157 HydrophobicContact CG-CB 4.07Å; K147-D157 IonicContact NZ-OD2 2.81Å
148	F	44.4	Very low	45.8	Very low	42 Å²	42	79.1 Å²	79.1	18%	0.184	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.6	168.2	-62.9	-88.1	0	0	0	108.7	V128 R146 Y150 T155 V156 F158	V128-F148 HydrophobicContact CG1-CD1 4.16Å; V128-F148 HydrophobicContact CG1-CE1 3.98Å; V128-F148 HydrophobicContact CG2-CD1 3.88Å; V128-F148 HydrophobicContact CG2-CE1 4.16Å; R146-F148 HydrophobicContact CB-CE2 4.49Å; R146-F148 VanDerWaalsContact CD-CZ 3.45Å; R146-F148 HydrophobicContact CG-CD2 4.46Å; R146-F148 HydrophobicContact CG-CE2 3.74Å; R146-F148 HydrophobicContact CG-CZ 3.9Å; F148-Y150 HydrophobicContact CB-CD2 4.5Å; F148-Y150 HydrophobicContact CB-CE2 4.11Å; F148-T155 CarbonylContact O-C 3.57Å; F148-T155 WeakPolarHBondContact O-CA 3.45Å; F148-V156 PolarHBondContact N-O 3.38Å; F148-V156 PolarHBondContact O-N 3.37Å; F148-F158 AromaticContact CD2-CD2 3.63Å; F148-F158 HydrophobicContact CD2-CD2 3.63Å; F148-F158 AromaticContact CD2-CE2 3.62Å; F148-F158 HydrophobicContact CD2-CE2 3.62Å; F148-F158 AromaticContact CE2-CD2 3.52Å; F148-F158 HydrophobicContact CE2-CD2 3.52Å; F148-F158 AromaticContact CE2-CE2 3.65Å; F148-F158 HydrophobicContact CE2-CE2 3.65Å
149	T	48	Very low	45.9	Very low	37 Å²	37	79.3 Å²	79.3	23%	0.227	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.9	176.6	-36.4	0	0	0	0	108.2	Y126 Q127 T155	Y126-T149 CarbonylContact C-O 3.58Å; Y126-T149 WeakPolarHBondContact CA-O 3.22Å; Y126-T149 VanDerWaalsContact CB-O 3.22Å; Y126-T149 WeakPolarHBondContact CB-O 3.5Å; Q127-T149 PolarHBondContact N-O 3.37Å; Q127-T149 PolarHBondContact O-N 2.89Å; Q127-T149 PolarHBondContact O-OG1 2.75Å; T149-T155 HydrophobicContact CG2-CG2 3.79Å
150	Y	36.6	Very low	45.9	Very low	84 Å²	84	81.1 Å²	81.1	33%	0.329	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	95.2	174	-73.2	-91.1	0	0	0	109.6	F117 F148 L153 I154	F117-Y150 AromaticContact CE1-CE1 3.82Å; F117-Y150 HydrophobicContact CE1-CE1 3.82Å; F117-Y150 HydrophobicContact CZ-CE1 4.17Å; F117-Y150 WeakPolarHBondContact CZ-OH 3.5Å; F148-Y150 HydrophobicContact CB-CD2 4.5Å; F148-Y150 HydrophobicContact CB-CE2 4.11Å; Y150-L153 PolarHBondContact O-N 2.89Å; Y150-I154 PolarHBondContact N-O 3.48Å; Y150-I154 PolarHBondContact O-N 3.35Å
151	G	52.6	Low	45.9	Very low	35 Å²	35	78.4 Å²	78.4	36%	0.361	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-146	-173.3	0	0	0	0	0	112.7	N125	N125-G151 WeakPolarHBondContact O-CA 2.92Å; N125-G151 PolarHBondContact O-N 3.46Å
152	D	49.8	Very low	45.5	Very low	177 Å²	177	81.6 Å²	81.6	95%	0.947	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	0.3	175.6	-79.3	-19.3	0	0	0	114.1
153	L	43.9	Very low	44.8	Very low	161 Å²	161	84 Å²	84	84%	0.843	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-30.9	-164.8	-101.5	94.2	0	0	0	116.5	Y150	Y150-L153 PolarHBondContact O-N 2.89Å
154	I	42.7	Very low	44.2	Very low	98 Å²	98	89.5 Å²	89.5	50%	0.503	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	114	-173.7	-53.6	176.1	0	0	0	111.2	Y150 V156	Y150-I154 PolarHBondContact N-O 3.48Å; Y150-I154 PolarHBondContact O-N 3.35Å; I154-V156 HydrophobicContact CG2-CG2 3.88Å
155	T	42.9	Very low	43.7	Very low	106 Å²	106	91.7 Å²	91.7	65%	0.65	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.2	165.6	41.3	0	0	0	0	109.6	F148 T149	F148-T155 CarbonylContact O-C 3.57Å; F148-T155 WeakPolarHBondContact O-CA 3.45Å; T149-T155 HydrophobicContact CG2-CG2 3.79Å
156	V	45	Very low	42.9	Very low	54 Å²	54	96.6 Å²	96.6	33%	0.327	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.6	168.9	-169.9	0	0	0	0	107.9	K147 F148 I154 F158	K147-V156 WeakPolarHBondContact CA-O 3.4Å; F148-V156 PolarHBondContact N-O 3.38Å; F148-V156 PolarHBondContact O-N 3.37Å; I154-V156 HydrophobicContact CG2-CG2 3.88Å; V156-F158 HydrophobicContact CB-CE2 4.14Å; V156-F158 HydrophobicContact CG1-CD2 4Å; V156-F158 HydrophobicContact CG1-CE1 4.35Å; V156-F158 HydrophobicContact CG1-CE2 3.37Å; V156-F158 HydrophobicContact CG1-CZ 3.58Å
157	D	48.3	Very low	42.1	Very low	77 Å²	77	99.4 Å²	99.4	41%	0.412	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	108.7	178.2	-163.6	-21.5	0	0	0	109.1	S145 K147 S159	S145-D157 PolarHBondContact OG-OD1 2.99Å; K147-D157 WeakPolarHBondContact CE-OD2 3.44Å; K147-D157 HydrophobicContact CG-CB 4.07Å; K147-D157 IonicContact NZ-OD2 2.81Å; D157-S159 PolarHBondContact O-N 3.26Å; D157-S159 PolarHBondContact OD1-OG 3.22Å
158	F	51.3	Low	41.3	Very low	123 Å²	123	104 Å²	104	54%	0.539	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	86.5	168.7	-63.5	-86.7	0	0	0	107.8	S145 R146 F148 V156	S145-F158 CarbonylContact C-O 3.56Å; S145-F158 WeakPolarHBondContact CA-O 3.26Å; R146-F158 HydrophobicContact CB-CB 4.4Å; R146-F158 PolarHBondContact N-O 3.39Å; R146-F158 PolarHBondContact O-N 3.36Å; F148-F158 AromaticContact CD2-CD2 3.63Å; F148-F158 HydrophobicContact CD2-CD2 3.63Å; F148-F158 AromaticContact CD2-CE2 3.62Å; F148-F158 HydrophobicContact CD2-CE2 3.62Å; F148-F158 AromaticContact CE2-CD2 3.52Å; F148-F158 HydrophobicContact CE2-CD2 3.52Å; F148-F158 AromaticContact CE2-CE2 3.65Å; F148-F158 HydrophobicContact CE2-CE2 3.65Å; V156-F158 HydrophobicContact CB-CE2 4.14Å; V156-F158 HydrophobicContact CG1-CD2 4Å; V156-F158 HydrophobicContact CG1-CE1 4.35Å; V156-F158 HydrophobicContact CG1-CE2 3.37Å; V156-F158 HydrophobicContact CG1-CZ 3.58Å
159	S	48.6	Very low	41.4	Very low	64 Å²	64	110.8 Å²	110.8	45%	0.448	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.1	97.4	167.2	-69.9	0	0	0	0	108.7	S145 D157 G161	S145-S159 VanDerWaalsContact CB-OG 3.29Å; S145-S159 WeakPolarHBondContact CB-OG 3.44Å; S145-S159 PolarHBondContact OG-OG 2.84Å; D157-S159 PolarHBondContact O-N 3.26Å; D157-S159 PolarHBondContact OD1-OG 3.22Å; S159-G161 PolarHBondContact O-N 2.95Å
160	E	42.9	Very low	41	Very low	143 Å²	143	114.5 Å²	114.5	67%	0.668	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.5	101.1	163.1	-82.2	-176.4	173	0	0	107.3	A144 L162	A144-E160 PolarHBondContact N-O 3.49Å; A144-E160 PolarHBondContact O-N 3.49Å; A144-E160 VanDerWaalsContact O-N 3.12Å; E160-L162 PolarHBondContact O-N 3.3Å; E160-L162 VanDerWaalsContact O-N 3.14Å
161	G	38.7	Very low	41.3	Very low	50 Å²	50	116.1 Å²	116.1	52%	0.515	66%	0.66	S	S	.	*			trans	-70.2	97.9	159.9	0	0	0	0	0	107.4	S159 I163	S159-G161 PolarHBondContact O-N 2.95Å; G161-I163 PolarHBondContact O-N 3.08Å
162	L	33.1	Very low	40.6	Very low	134 Å²	134	120.6 Å²	120.6	70%	0.702	68%	0.677	S	S	*	*			trans	-75.5	66.2	171.8	-134.8	124.1	0	0	0	108.3	E160	E160-L162 PolarHBondContact O-N 3.3Å; E160-L162 VanDerWaalsContact O-N 3.14Å
163	I	34.2	Very low	40.1	Very low	117 Å²	117	117.3 Å²	117.3	60%	0.6	66%	0.661	S	S	*	*			trans	-119.1	68	167.6	-47.1	177.5	0	0	0	106.9	G161 S165	G161-I163 PolarHBondContact O-N 3.08Å; I163-S165 PolarHBondContact O-N 2.87Å
164	D	32.6	Very low	39.8	Very low	161 Å²	161	114.6 Å²	114.6	86%	0.861	65%	0.65	S	S	*	*			trans	-87.7	77.7	149.9	-80.6	-20	0	0	0	106.5	V166	D164-V166 VanDerWaalsContact C-N 3.27Å; D164-V166 PolarHBondContact O-N 3.5Å
165	S	34.6	Very low	39.7	Very low	78 Å²	78	115.7 Å²	115.7	55%	0.545	66%	0.66	S	S	.	*			trans	-56.4	102.5	148.5	50	0	0	0	0	106.5	I163 N167	I163-S165 PolarHBondContact O-N 2.87Å; S165-N167 PolarHBondContact O-N 2.94Å
166	V	32.8	Very low	39.4	Very low	119 Å²	119	116.4 Å²	116.4	72%	0.721	66%	0.66	S	S	*	*			trans	-61.3	92.3	160	175.9	0	0	0	0	105.9	D164 E168	D164-V166 VanDerWaalsContact C-N 3.27Å; D164-V166 PolarHBondContact O-N 3.5Å; V166-E168 HydrophobicContact CG1-CG 4.04Å; V166-E168 PolarHBondContact O-N 3.16Å
167	N	30.9	Very low	39	Very low	145 Å²	145	121.2 Å²	121.2	78%	0.775	69%	0.686	S	S	*	*			trans	-65.8	87.5	157.6	-86.3	-13	0	0	0	106.2	S165 S169	S165-N167 PolarHBondContact O-N 2.94Å; N167-S169 PolarHBondContact O-N 2.88Å
168	E	33.8	Very low	38.2	Very low	180 Å²	180	124.8 Å²	124.8	84%	0.841	71%	0.709	S	S	*	*			trans	-79	97.9	151.3	-93.4	-179.3	143.2	0	0	106.6	V166	V166-E168 HydrophobicContact CG1-CG 4.04Å; V166-E168 PolarHBondContact O-N 3.16Å
169	S	45.5	Very low	37	Very low	184 Å²	184	125 Å²	125	100%	1.287	72%	0.724	S	S	*	*			trans	-60.8	0	158.8	53.7	0	0	0	0	111.4	N167	N167-S169 PolarHBondContact O-N 2.88Å

Retrieved 169 of 169 residues in 101.6 ms (Link to these results)

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