A0A077Z9W9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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	52.6	Low	54.2	Low	224 Å²	224	138.6 Å²	138.6	100%	1.103	78%	0.778	S	S	*	*				0	96.8	0	-77.9	175.5	151.2	0	0	106.7
2	S	47.2	Very low	55.8	Low	112 Å²	112	129.4 Å²	129.4	78%	0.783	72%	0.724	S	S	*	*			trans	-80	118.2	179.3	-46.4	0	0	0	0	107.5	D4	S2-D4 PolarHBondContact O-N 3.33Å
3	Y	54.6	Low	57.5	Low	217 Å²	217	123 Å²	123	85%	0.851	69%	0.693	S	S	*	*			trans	-82.5	98	171.9	-80.8	-87.4	0	0	0	107.8	P5	Y3-P5 WeakPolarHBondContact O-CD 3.47Å
4	D	58.2	Low	59.4	Low	147 Å²	147	114.2 Å²	114.2	79%	0.786	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-73.8	121.5	164.2	-72.8	-47.3	0	0	0	108.3	S2	S2-D4 PolarHBondContact O-N 3.33Å
5	P	68	Low	60.6	Low	108 Å²	108	115.7 Å²	115.7	70%	0.701	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-69.4	143.6	175.2	28.1	-31.6	0	0	0	110	Y3	Y3-P5 WeakPolarHBondContact O-CD 3.47Å
6	P	56.3	Low	61.7	Low	108 Å²	108	113.1 Å²	113.1	70%	0.701	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-62.2	141.2	178.2	25.5	-32.3	0	0	0	110.3	L8	P6-L8 PolarHBondContact O-N 3.1Å; P6-L8 VanDerWaalsContact O-N 3.1Å
7	P	51	Low	63	Low	122 Å²	122	107.6 Å²	107.6	79%	0.792	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-65.6	116.7	175.9	18	-16	0	0	0	108.4	A9	P7-A9 PolarHBondContact O-N 2.97Å
8	L	44.8	Very low	63.4	Low	172 Å²	172	109.3 Å²	109.3	90%	0.901	62%	0.615	S	S	*	*			trans	-68.6	74.7	166.8	-69.9	169	0	0	0	107.9	P6 S10	P6-L8 PolarHBondContact O-N 3.1Å; P6-L8 VanDerWaalsContact O-N 3.1Å; L8-S10 VanDerWaalsContact C-N 3.32Å; L8-S10 PolarHBondContact O-N 2.81Å
9	A	46.5	Very low	63.8	Low	80 Å²	80	107.2 Å²	107.2	66%	0.661	62%	0.619	S	S	*	*			trans	-72.4	91.1	173.2	0	0	0	0	0	108	P7 E11	P7-A9 PolarHBondContact O-N 2.97Å; A9-E11 PolarHBondContact O-N 3.1Å
10	S	55.3	Low	64.3	Low	77 Å²	77	111 Å²	111	54%	0.538	62%	0.623	S	S	.	*			trans	-68.3	85.3	161.9	53.2	0	0	0	0	107.6	L8 H12	L8-S10 VanDerWaalsContact C-N 3.32Å; L8-S10 PolarHBondContact O-N 2.81Å; S10-H12 PolarHBondContact O-CD2 3.32Å; S10-H12 PolarHBondContact O-N 3.19Å; S10-H12 PolarHBondContact OG-NE2 2.73Å
11	E	62.2	Low	65	Low	158 Å²	158	109.3 Å²	109.3	74%	0.738	61%	0.612	S	S	*	*			trans	-65	102.2	175.4	-71.7	-172.7	130.2	0	0	109.4	A9	A9-E11 PolarHBondContact O-N 3.1Å
12	H	72.5	Confident	66.4	Low	28 Å²	28	102.4 Å²	102.4	13%	0.13	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.2	118	171.8	-60.6	-67.9	0	0	0	108	S10 S22 F23 F29	S10-H12 PolarHBondContact O-CD2 3.32Å; S10-H12 PolarHBondContact O-N 3.19Å; S10-H12 PolarHBondContact OG-NE2 2.73Å; H12-S22 CarbonylContact O-C 3.59Å; H12-S22 WeakPolarHBondContact O-CA 3.46Å; H12-F23 HydrophobicContact CB-CB 4.44Å; H12-F23 PolarHBondContact O-N 3.22Å; H12-F29 HydrophobicContact CB-CB 3.86Å; H12-F29 HydrophobicContact CB-CD1 4.42Å; H12-F29 HydrophobicContact CB-CD2 4.28Å; H12-F29 HydrophobicContact CB-CG 3.95Å
13	S	79	Confident	68.1	Low	46 Å²	46	98.5 Å²	98.5	32%	0.322	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	139.4	-179.7	58.4	0	0	0	0	112	Q15 I21	S13-Q15 PolarHBondContact O-N 2.93Å; S13-I21 WeakPolarHBondContact CA-O 3.27Å
14	C	82.9	Confident	69.2	Low	0 Å²	0	97.2 Å²	97.2	0%	0	56%	0.557	C	S	.	*			trans	-80.6	117.3	174.5	179.2	0	0	0	0	110.3	L16 C17 R20 I21 F23 F29 H32 H37	C14-L16 VanDerWaalsContact C-N 3.34Å; C14-C17 HydrophobicContact CB-CB 4.41Å; C14-C17 PolarHBondContact SG-N 2.64Å; C14-C17 VanDerWaalsContact SG-N 3.43Å; C14-R20 WeakPolarHBondContact O-CA 3.29Å; C14-I21 PolarHBondContact N-O 3.33Å; C14-F23 HydrophobicContact CB-CE2 4.29Å; C14-F29 HydrophobicContact CB-CE2 4.34Å; C14-H32 VanDerWaalsContact CB-NE2 3.35Å; C14-H32 WeakPolarHBondContact CB-NE2 3.45Å; C14-H32 PolarHBondContact SG-NE2 2.69Å; C14-H37 PolarHBondContact SG-NE2 2.93Å
15	Q	78.4	Confident	70.3	Confident	137 Å²	137	92.4 Å²	92.4	64%	0.64	53%	0.534	S	S	*	.	S	Bend	trans	-84.1	-8.4	-179.9	-61.6	-170.4	-1.8	0	0	113.9	S13 Y49	S13-Q15 PolarHBondContact O-N 2.93Å; Q15-Y49 PolarHBondContact N-OH 2.89Å
16	L	78.6	Confident	70.9	Confident	74 Å²	74	88.9 Å²	88.9	39%	0.387	51%	0.514	S	S	.	.	S	Bend	trans	-101.4	-22.2	-175.5	-64.1	179.3	0	0	0	113.4	C14 H37 Y49	C14-L16 VanDerWaalsContact C-N 3.34Å; L16-H37 WeakPolarHBondContact CB-CE1 3.49Å; L16-Y49 HydrophobicContact CD1-CD2 3.53Å; L16-Y49 HydrophobicContact CD1-CE2 3.99Å; L16-Y49 HydrophobicContact CD1-CG 4.09Å; L16-Y49 HydrophobicContact CG-CD2 4.18Å; L16-Y49 HydrophobicContact CG-CE2 4.12Å
17	C	82.5	Confident	72.2	Confident	20 Å²	20	89.2 Å²	89.2	14%	0.135	51%	0.51	C	S	.	.	S	Bend	trans	-77.1	143.3	179.4	-77.9	0	0	0	0	112.8	C14 G19 R20 I21 H32 H37	C14-C17 HydrophobicContact CB-CB 4.41Å; C14-C17 PolarHBondContact SG-N 2.64Å; C14-C17 VanDerWaalsContact SG-N 3.43Å; C17-G19 PolarHBondContact O-N 3.38Å; C17-R20 PolarHBondContact O-N 3.2Å; C17-I21 HydrophobicContact CB-CD1 4.16Å; C17-I21 HydrophobicContact CB-CG1 4.43Å; C17-H32 PolarHBondContact SG-CE1 3.4Å; C17-H32 PolarHBondContact SG-NE2 3.46Å; C17-H37 PolarHBondContact SG-NE2 2.91Å
18	P	70.2	Confident	73.9	Confident	138 Å²	138	87.5 Å²	87.5	90%	0.896	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	95.5	173.4	29.3	-33.1	0	0	0	109.1
19	G	71	Confident	75.8	Confident	68 Å²	68	79.5 Å²	79.5	70%	0.701	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.9	-4.5	-179.6	0	0	0	0	0	115.6	C17 I21	C17-G19 PolarHBondContact O-N 3.38Å; G19-I21 PolarHBondContact O-N 2.98Å
20	R	74.1	Confident	77.7	Confident	184 Å²	184	76.1 Å²	76.1	69%	0.694	42%	0.42	S	S	*	.			trans	46.1	61.2	-178.9	-67.1	-174.2	178.6	-143.1	-0.1	112.4	C14 C17 S22	C14-R20 WeakPolarHBondContact O-CA 3.29Å; C17-R20 PolarHBondContact O-N 3.2Å; R20-S22 PolarHBondContact O-N 2.7Å; R20-S22 VanDerWaalsContact O-N 3.16Å
21	I	80.2	Confident	79.2	Confident	76 Å²	76	78.7 Å²	78.7	39%	0.39	42%	0.423	S	S	.	.			trans	-59.1	121.5	179.7	-51.8	168.7	0	0	0	108.1	S13 C14 C17 G19 F23	S13-I21 WeakPolarHBondContact CA-O 3.27Å; C14-I21 PolarHBondContact N-O 3.33Å; C17-I21 HydrophobicContact CB-CD1 4.16Å; C17-I21 HydrophobicContact CB-CG1 4.43Å; G19-I21 PolarHBondContact O-N 2.98Å; I21-F23 HydrophobicContact CB-CE2 4.11Å; I21-F23 HydrophobicContact CB-CZ 3.94Å; I21-F23 HydrophobicContact CG2-CD1 4.49Å; I21-F23 HydrophobicContact CG2-CE1 3.77Å; I21-F23 HydrophobicContact CG2-CE2 3.92Å; I21-F23 HydrophobicContact CG2-CZ 3.42Å; I21-F23 VanDerWaalsContact CG2-CZ 3.42Å; I21-F23 WeakPolarHBondContact O-CE2 3.33Å
22	S	81.4	Confident	80.4	Confident	79 Å²	79	72.1 Å²	72.1	55%	0.552	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.2	172.2	54.1	0	0	0	0	110	H12 R20	H12-S22 CarbonylContact O-C 3.59Å; H12-S22 WeakPolarHBondContact O-CA 3.46Å; R20-S22 PolarHBondContact O-N 2.7Å; R20-S22 VanDerWaalsContact O-N 3.16Å
23	F	83.1	Confident	81.1	Confident	30 Å²	30	70.8 Å²	70.8	13%	0.132	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.7	-177.6	-60.4	-79.6	0	0	0	109.2	H12 C14 I21 E28 F29 H32	H12-F23 HydrophobicContact CB-CB 4.44Å; H12-F23 PolarHBondContact O-N 3.22Å; C14-F23 HydrophobicContact CB-CE2 4.29Å; I21-F23 HydrophobicContact CB-CE2 4.11Å; I21-F23 HydrophobicContact CB-CZ 3.94Å; I21-F23 HydrophobicContact CG2-CD1 4.49Å; I21-F23 HydrophobicContact CG2-CE1 3.77Å; I21-F23 HydrophobicContact CG2-CE2 3.92Å; I21-F23 HydrophobicContact CG2-CZ 3.42Å; I21-F23 VanDerWaalsContact CG2-CZ 3.42Å; I21-F23 WeakPolarHBondContact O-CE2 3.33Å; F23-E28 HydrophobicContact CB-CB 4.05Å; F23-E28 HydrophobicContact CD1-CB 3.67Å; F23-E28 HydrophobicContact CG-CB 4.19Å; F23-F29 HydrophobicContact CB-CB 4.18Å; F23-F29 HydrophobicContact CD2-CB 3.96Å; F23-F29 AromaticContact CD2-CD2 3.62Å; F23-F29 HydrophobicContact CD2-CD2 3.62Å; F23-F29 HydrophobicContact CD2-CG 4.28Å; F23-F29 AromaticContact CE2-CD2 3.89Å; F23-F29 HydrophobicContact CE2-CD2 3.89Å; F23-F29 HydrophobicContact CG-CB 4.15Å; F23-H32 HydrophobicContact CE1-CB 3.76Å; F23-H32 HydrophobicContact CE2-CB 3.92Å; F23-H32 AromaticContact CE2-CD2 3.73Å; F23-H32 AromaticContact CE2-CG 3.75Å; F23-H32 HydrophobicContact CZ-CB 3.31Å; F23-H32 AromaticContact CZ-CD2 3.66Å; F23-H32 AromaticContact CZ-CG 3.21Å; F23-H32 AromaticContact CZ-ND1 3.66Å
24	Q	76.6	Confident	81.5	Confident	190 Å²	190	72 Å²	72	89%	0.888	38%	0.384	S	S	*	.	S	Bend	trans	-81.6	-24.7	178.3	-65.9	-170.8	-4.5	0	0	111.2	E28	Q24-E28 PolarHBondContact N-OE2 3.29Å; Q24-E28 VanDerWaalsContact N-OE2 3.12Å
25	S	81	Confident	81.6	Confident	46 Å²	46	76 Å²	76	32%	0.322	42%	0.416	S	S	.	.	S	Bend	trans	-120.5	144.5	179.3	179.8	0	0	0	0	112.2	L27 E28 F29	S25-L27 PolarHBondContact O-N 3.12Å; S25-L27 PolarHBondContact OG-N 3.5Å; S25-E28 PolarHBondContact N-OE2 3.28Å; S25-E28 PolarHBondContact O-N 2.78Å; S25-F29 PolarHBondContact O-N 3.39Å
26	A	82.1	Confident	81.9	Confident	33 Å²	33	72.7 Å²	72.7	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-56.2	-33.8	168.7	0	0	0	0	0	112.1	F29 I30 L77	A26-F29 PolarHBondContact O-N 3.05Å; A26-I30 WeakPolarHBondContact O-CG1 3.47Å; A26-I30 PolarHBondContact O-N 3.38Å; A26-L77 HydrophobicContact CB-CD1 4.01Å; A26-L77 HydrophobicContact CB-CD2 3.6Å; A26-L77 HydrophobicContact CB-CG 4.47Å
27	L	83.9	Confident	82.2	Confident	116 Å²	116	70.3 Å²	70.3	61%	0.607	40%	0.395	S	S	*	.	H	α-helix	trans	-66.9	-45.5	179	-67.1	176.3	0	0	0	111.8	S25 F29 I30 E31	S25-L27 PolarHBondContact O-N 3.12Å; S25-L27 PolarHBondContact OG-N 3.5Å; L27-F29 PolarHBondContact O-N 3.47Å; L27-I30 HydrophobicContact CD2-CD1 4.39Å; L27-I30 PolarHBondContact O-N 2.95Å; L27-I30 VanDerWaalsContact O-N 3.1Å; L27-E31 WeakPolarHBondContact O-CG 3.3Å; L27-E31 PolarHBondContact O-N 3.42Å
28	E	85.3	Confident	82.3	Confident	86 Å²	86	70.6 Å²	70.6	40%	0.402	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-38.1	176.7	-65.8	174.4	160.9	0	0	111	F23 Q24 S25 E31 H32	F23-E28 HydrophobicContact CB-CB 4.05Å; F23-E28 HydrophobicContact CD1-CB 3.67Å; F23-E28 HydrophobicContact CG-CB 4.19Å; Q24-E28 PolarHBondContact N-OE2 3.29Å; Q24-E28 VanDerWaalsContact N-OE2 3.12Å; S25-E28 PolarHBondContact N-OE2 3.28Å; S25-E28 PolarHBondContact O-N 2.78Å; E28-E31 PolarHBondContact O-N 3.24Å; E28-H32 VanDerWaalsContact O-CB 3.31Å; E28-H32 WeakPolarHBondContact O-CB 3.5Å; E28-H32 PolarHBondContact O-N 3.42Å
29	F	85.6	Confident	83	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-64.6	-43.1	174.4	-179.3	-111.4	0	0	0	112.4	H12 C14 F23 S25 A26 L27 H32 L33 Y49 H76 L77	H12-F29 HydrophobicContact CB-CB 3.86Å; H12-F29 HydrophobicContact CB-CD1 4.42Å; H12-F29 HydrophobicContact CB-CD2 4.28Å; H12-F29 HydrophobicContact CB-CG 3.95Å; C14-F29 HydrophobicContact CB-CE2 4.34Å; F23-F29 HydrophobicContact CB-CB 4.18Å; F23-F29 HydrophobicContact CD2-CB 3.96Å; F23-F29 AromaticContact CD2-CD2 3.62Å; F23-F29 HydrophobicContact CD2-CD2 3.62Å; F23-F29 HydrophobicContact CD2-CG 4.28Å; F23-F29 AromaticContact CE2-CD2 3.89Å; F23-F29 HydrophobicContact CE2-CD2 3.89Å; F23-F29 HydrophobicContact CG-CB 4.15Å; S25-F29 PolarHBondContact O-N 3.39Å; A26-F29 PolarHBondContact O-N 3.05Å; L27-F29 PolarHBondContact O-N 3.47Å; F29-H32 WeakPolarHBondContact O-CB 3.31Å; F29-H32 PolarHBondContact O-N 3.04Å; F29-L33 HydrophobicContact CD1-CD1 3.95Å; F29-L33 HydrophobicContact CD1-CG 4.47Å; F29-L33 HydrophobicContact CE1-CD1 3.46Å; F29-L33 VanDerWaalsContact CE1-CD1 3.46Å; F29-L33 HydrophobicContact CE1-CG 4.2Å; F29-L33 HydrophobicContact CE2-CD1 4.33Å; F29-L33 HydrophobicContact CE2-CD2 4.26Å; F29-L33 HydrophobicContact CE2-CG 4.25Å; F29-L33 HydrophobicContact CZ-CD1 3.68Å; F29-L33 HydrophobicContact CZ-CD2 4.18Å; F29-L33 HydrophobicContact CZ-CG 4.09Å; F29-L33 VanDerWaalsContact O-CG 3.3Å; F29-L33 WeakPolarHBondContact O-CG 3.33Å; F29-L33 PolarHBondContact O-N 2.95Å; F29-Y49 HydrophobicContact CZ-CE1 4.37Å; F29-Y49 AromaticContact CZ-CZ 3.98Å; F29-H76 HydrophobicContact CE1-CB 4.11Å; F29-L77 HydrophobicContact CB-CD2 4.45Å; F29-L77 HydrophobicContact CD1-CD2 3.54Å; F29-L77 HydrophobicContact CD1-CG 4.16Å; F29-L77 HydrophobicContact CE1-CD2 4.25Å; F29-L77 HydrophobicContact CG-CD2 4.42Å
30	I	85.8	Confident	83.7	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.046	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-47.2	175.4	-63.6	165.9	0	0	0	110.7	A26 L27 H32 L33 R34 V72 K73 L77	A26-I30 WeakPolarHBondContact O-CG1 3.47Å; A26-I30 PolarHBondContact O-N 3.38Å; L27-I30 HydrophobicContact CD2-CD1 4.39Å; L27-I30 PolarHBondContact O-N 2.95Å; L27-I30 VanDerWaalsContact O-N 3.1Å; I30-H32 VanDerWaalsContact C-N 3.28Å; I30-H32 PolarHBondContact O-N 3.4Å; I30-L33 PolarHBondContact O-N 2.92Å; I30-L33 VanDerWaalsContact O-N 3.16Å; I30-R34 WeakPolarHBondContact O-CG 3.49Å; I30-R34 PolarHBondContact O-N 3.46Å; I30-V72 HydrophobicContact CB-CG1 4.38Å; I30-V72 HydrophobicContact CG1-CG1 3.93Å; I30-V72 HydrophobicContact CG2-CG1 4.27Å; I30-K73 HydrophobicContact CD1-CG 3.87Å; I30-L77 HydrophobicContact CD1-CD1 3.48Å; I30-L77 VanDerWaalsContact CD1-CD1 3.48Å; I30-L77 HydrophobicContact CG1-CD1 3.54Å; I30-L77 HydrophobicContact CG1-CG 4.24Å
31	E	86.6	Confident	84	Confident	130 Å²	130	69 Å²	69	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-60.3	-40.9	179.3	-72.9	-178.4	168.7	0	0	111.5	L27 E28 R34 A35	L27-E31 WeakPolarHBondContact O-CG 3.3Å; L27-E31 PolarHBondContact O-N 3.42Å; E28-E31 PolarHBondContact O-N 3.24Å; E31-R34 WeakPolarHBondContact O-CB 3.39Å; E31-R34 PolarHBondContact O-N 2.64Å; E31-A35 WeakPolarHBondContact O-CB 3.45Å; E31-A35 PolarHBondContact O-N 3.15Å
32	H	88.7	Confident	83.8	Confident	21 Å²	21	69.9 Å²	69.9	10%	0.097	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-46.4	173.3	171.7	71.6	0	0	0	112.5	C14 C17 F23 E28 F29 I30 R34 A35 S36 H37	C14-H32 VanDerWaalsContact CB-NE2 3.35Å; C14-H32 WeakPolarHBondContact CB-NE2 3.45Å; C14-H32 PolarHBondContact SG-NE2 2.69Å; C17-H32 PolarHBondContact SG-CE1 3.4Å; C17-H32 PolarHBondContact SG-NE2 3.46Å; F23-H32 HydrophobicContact CE1-CB 3.76Å; F23-H32 HydrophobicContact CE2-CB 3.92Å; F23-H32 AromaticContact CE2-CD2 3.73Å; F23-H32 AromaticContact CE2-CG 3.75Å; F23-H32 HydrophobicContact CZ-CB 3.31Å; F23-H32 AromaticContact CZ-CD2 3.66Å; F23-H32 AromaticContact CZ-CG 3.21Å; F23-H32 AromaticContact CZ-ND1 3.66Å; E28-H32 VanDerWaalsContact O-CB 3.31Å; E28-H32 WeakPolarHBondContact O-CB 3.5Å; E28-H32 PolarHBondContact O-N 3.42Å; F29-H32 WeakPolarHBondContact O-CB 3.31Å; F29-H32 PolarHBondContact O-N 3.04Å; I30-H32 VanDerWaalsContact C-N 3.28Å; I30-H32 PolarHBondContact O-N 3.4Å; H32-R34 VanDerWaalsContact C-N 3.28Å; H32-R34 PolarHBondContact O-N 3.09Å; H32-A35 PolarHBondContact O-N 3.27Å; H32-S36 PolarHBondContact CE1-OG 3.38Å; H32-S36 WeakPolarHBondContact O-CB 3.33Å; H32-S36 PolarHBondContact O-N 3.08Å; H32-H37 AromaticContact NE2-CD2 3.78Å; H32-H37 AromaticContact NE2-NE2 3.78Å
33	L	87.2	Confident	83.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-39.4	176.9	-70.2	-177.7	0	0	0	111.7	F29 I30 H37 C38 Y49 Y68 V72 H76	F29-L33 HydrophobicContact CD1-CD1 3.95Å; F29-L33 HydrophobicContact CD1-CG 4.47Å; F29-L33 HydrophobicContact CE1-CD1 3.46Å; F29-L33 VanDerWaalsContact CE1-CD1 3.46Å; F29-L33 HydrophobicContact CE1-CG 4.2Å; F29-L33 HydrophobicContact CE2-CD1 4.33Å; F29-L33 HydrophobicContact CE2-CD2 4.26Å; F29-L33 HydrophobicContact CE2-CG 4.25Å; F29-L33 HydrophobicContact CZ-CD1 3.68Å; F29-L33 HydrophobicContact CZ-CD2 4.18Å; F29-L33 HydrophobicContact CZ-CG 4.09Å; F29-L33 VanDerWaalsContact O-CG 3.3Å; F29-L33 WeakPolarHBondContact O-CG 3.33Å; F29-L33 PolarHBondContact O-N 2.95Å; I30-L33 PolarHBondContact O-N 2.92Å; I30-L33 VanDerWaalsContact O-N 3.16Å; L33-H37 HydrophobicContact CD2-CB 4.15Å; L33-H37 CarbonylContact O-C 3.18Å; L33-H37 VanDerWaalsContact O-CA 3.25Å; L33-H37 WeakPolarHBondContact O-CA 3.43Å; L33-H37 WeakPolarHBondContact O-CB 3.48Å; L33-H37 PolarHBondContact O-N 3.37Å; L33-C38 PolarHBondContact O-N 2.79Å; L33-C38 VanDerWaalsContact O-N 3.08Å; L33-Y49 HydrophobicContact CD2-CD1 4.33Å; L33-Y49 HydrophobicContact CD2-CD2 3.09Å; L33-Y49 HydrophobicContact CD2-CE2 3.41Å; L33-Y49 VanDerWaalsContact CD2-CE2 3.41Å; L33-Y49 HydrophobicContact CD2-CG 3.61Å; L33-Y49 HydrophobicContact CG-CD2 4.48Å; L33-Y68 PolarHBondContact O-OH 2.87Å; L33-V72 HydrophobicContact CB-CG1 4.5Å; L33-V72 HydrophobicContact CD1-CG1 3.44Å; L33-V72 VanDerWaalsContact CD1-CG1 3.44Å; L33-H76 HydrophobicContact CD1-CB 3.97Å
34	R	86.2	Confident	83.7	Confident	71 Å²	71	69.3 Å²	69.3	27%	0.268	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-42.3	173.8	-77.5	177.4	137.8	167.6	-8.3	113.1	I30 E31 H32 C38 D65 Y68 E69	I30-R34 WeakPolarHBondContact O-CG 3.49Å; I30-R34 PolarHBondContact O-N 3.46Å; E31-R34 WeakPolarHBondContact O-CB 3.39Å; E31-R34 PolarHBondContact O-N 2.64Å; H32-R34 VanDerWaalsContact C-N 3.28Å; H32-R34 PolarHBondContact O-N 3.09Å; R34-C38 WeakPolarHBondContact O-CB 3.33Å; R34-D65 IonicContact CZ-OD1 3.02Å; R34-D65 IonicContact NE-OD1 3.7Å; R34-D65 IonicContact NH2-OD1 2.69Å; R34-D65 PolarHBondContact NH2-OD1 3.32Å; R34-D65 IonicContact NH2-OD2 2.7Å; R34-D65 PolarHBondContact NH2-OD2 2.92Å; R34-D65 VanDerWaalsContact NH2-OD2 3.09Å; R34-Y68 HydrophobicContact CG-CD1 4.14Å; R34-Y68 HydrophobicContact CG-CE1 3.54Å; R34-E69 IonicContact CZ-OE1 3.85Å; R34-E69 IonicContact NH1-OE1 3.09Å; R34-E69 PolarHBondContact NH1-OE1 3.31Å; R34-E69 VanDerWaalsContact NH2-CD 3.25Å; R34-E69 IonicContact NH2-OE1 4Å; R34-E69 PolarHBondContact NH2-OE1 2.94Å
35	A	85.6	Confident	84	Confident	83 Å²	83	61.5 Å²	61.5	69%	0.686	36%	0.358	S	S	*	.	H	α-helix	trans	-76.7	-39.2	-177.3	0	0	0	0	0	112.7	E31 H32	E31-A35 WeakPolarHBondContact O-CB 3.45Å; E31-A35 PolarHBondContact O-N 3.15Å; H32-A35 PolarHBondContact O-N 3.27Å
36	S	83.8	Confident	84.2	Confident	69 Å²	69	60.7 Å²	60.7	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-109.1	-27.8	-168.1	-59.6	0	0	0	0	114.3	H32	H32-S36 PolarHBondContact CE1-OG 3.38Å; H32-S36 WeakPolarHBondContact O-CB 3.33Å; H32-S36 PolarHBondContact O-N 3.08Å
37	H	86	Confident	84.3	Confident	23 Å²	23	59.3 Å²	59.3	11%	0.106	34%	0.338	C	S	.	.	S	Bend	trans	-121.1	15.9	-174.2	-64.8	-65.8	0	0	0	113.7	C14 L16 C17 H32 L33 R48 Y49	C14-H37 PolarHBondContact SG-NE2 2.93Å; L16-H37 WeakPolarHBondContact CB-CE1 3.49Å; C17-H37 PolarHBondContact SG-NE2 2.91Å; H32-H37 AromaticContact NE2-CD2 3.78Å; H32-H37 AromaticContact NE2-NE2 3.78Å; L33-H37 HydrophobicContact CD2-CB 4.15Å; L33-H37 CarbonylContact O-C 3.18Å; L33-H37 VanDerWaalsContact O-CA 3.25Å; L33-H37 WeakPolarHBondContact O-CA 3.43Å; L33-H37 WeakPolarHBondContact O-CB 3.48Å; L33-H37 PolarHBondContact O-N 3.37Å; H37-R48 WeakPolarHBondContact O-CA 3.47Å; H37-R48 WeakPolarHBondContact O-CB 3.46Å; H37-R48 PolarHBondContact O-N 2.85Å; H37-Y49 HydrophobicContact CB-CD2 4.25Å; H37-Y49 AromaticContact CD2-CD2 3.92Å; H37-Y49 AromaticContact CG-CD2 3.91Å
38	C	85.1	Confident	84.3	Confident	26 Å²	26	58.7 Å²	58.7	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.6	169.3	-169.9	0	0	0	0	110.3	L33 R34 F45 I46 Y68	L33-C38 PolarHBondContact O-N 2.79Å; L33-C38 VanDerWaalsContact O-N 3.08Å; R34-C38 WeakPolarHBondContact O-CB 3.33Å; C38-F45 VanDerWaalsContact SG-CD1 3.54Å; C38-I46 WeakPolarHBondContact CA-O 3.46Å; C38-Y68 HydrophobicContact CB-CE2 4.23Å
39	K	84.5	Confident	84	Confident	77 Å²	77	56.1 Å²	56.1	34%	0.335	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.8	161.6	-172.4	174.6	-176.2	-162.8	0	108.8	E41 I46 R48	K39-E41 HydrophobicContact CD-CG 4.27Å; K39-E41 WeakPolarHBondContact CE-OE1 3.47Å; K39-E41 HydrophobicContact CG-CG 4.17Å; K39-E41 IonicContact NZ-OE1 2.68Å; K39-E41 PolarHBondContact NZ-OE1 3.16Å; K39-I46 HydrophobicContact CB-CB 4.47Å; K39-I46 PolarHBondContact N-O 2.94Å; K39-I46 PolarHBondContact O-N 2.93Å; K39-R48 VanDerWaalsContact CD-CZ 3.4Å
40	R	84.7	Confident	83.5	Confident	182 Å²	182	56.5 Å²	56.5	69%	0.687	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	117.7	175.3	-171.4	-178.8	-62.4	-179	1.8	108.8	S44	R40-S44 WeakPolarHBondContact CA-O 3.43Å
41	E	81.5	Confident	82.4	Confident	97 Å²	97	61.1 Å²	61.1	45%	0.453	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.9	172.7	-67.3	-168.4	172.2	0	0	108.3	K39 G43 S44 I46	K39-E41 HydrophobicContact CD-CG 4.27Å; K39-E41 WeakPolarHBondContact CE-OE1 3.47Å; K39-E41 HydrophobicContact CG-CG 4.17Å; K39-E41 IonicContact NZ-OE1 2.68Å; K39-E41 PolarHBondContact NZ-OE1 3.16Å; E41-G43 PolarHBondContact O-N 3.4Å; E41-S44 PolarHBondContact N-O 3.25Å; E41-S44 WeakPolarHBondContact O-CB 3.28Å; E41-S44 PolarHBondContact O-N 3.1Å; E41-I46 HydrophobicContact CG-CD1 4.4Å
42	G	75.1	Confident	81.6	Confident	96 Å²	96	65.2 Å²	65.2	99%	0.99	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	12.9	171.5	0	0	0	0	0	117.1
43	G	78.9	Confident	80.7	Confident	52 Å²	52	67.5 Å²	67.5	54%	0.536	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.7	-9	-173.1	0	0	0	0	0	113.9	E41	E41-G43 PolarHBondContact O-N 3.4Å
44	S	83.1	Confident	80	Confident	45 Å²	45	71.3 Å²	71.3	32%	0.315	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	144.4	174	-54.7	0	0	0	0	111.3	R40 E41	R40-S44 WeakPolarHBondContact CA-O 3.43Å; E41-S44 PolarHBondContact N-O 3.25Å; E41-S44 WeakPolarHBondContact O-CB 3.28Å; E41-S44 PolarHBondContact O-N 3.1Å
45	F	83.4	Confident	79.5	Confident	26 Å²	26	68.4 Å²	68.4	11%	0.114	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.4	180	-65.9	-103.1	0	0	0	109.9	C38 G62 V63 D65 Y68	C38-F45 VanDerWaalsContact SG-CD1 3.54Å; F45-G62 WeakPolarHBondContact O-CA 3.36Å; F45-V63 PolarHBondContact N-O 3.4Å; F45-V63 PolarHBondContact O-N 3.32Å; F45-D65 HydrophobicContact CD2-CB 4.09Å; F45-D65 HydrophobicContact CE2-CB 3.6Å; F45-D65 HydrophobicContact CZ-CB 4Å; F45-D65 WeakPolarHBondContact CZ-OD1 3.36Å; F45-Y68 HydrophobicContact CB-CD2 3.73Å; F45-Y68 HydrophobicContact CB-CE2 4.5Å; F45-Y68 HydrophobicContact CB-CG 3.85Å
46	I	84.9	Confident	78.8	Confident	29 Å²	29	70.3 Å²	70.3	15%	0.149	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.5	179.5	-57.2	168.3	0	0	0	108.9	C38 K39 E41 R48	C38-I46 WeakPolarHBondContact CA-O 3.46Å; K39-I46 HydrophobicContact CB-CB 4.47Å; K39-I46 PolarHBondContact N-O 2.94Å; K39-I46 PolarHBondContact O-N 2.93Å; E41-I46 HydrophobicContact CG-CD1 4.4Å; I46-R48 PolarHBondContact O-N 3.27Å
47	C	85	Confident	78.1	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.027	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.9	176	-173.4	0	0	0	0	111.6	Y49 C55 L58 Y68 H71 H76	C47-Y49 PolarHBondContact SG-N 2.95Å; C47-C55 HydrophobicContact CB-CB 3.93Å; C47-C55 PolarHBondContact O-N 2.73Å; C47-L58 HydrophobicContact CB-CD1 3.67Å; C47-Y68 HydrophobicContact CB-CD2 4.3Å; C47-Y68 HydrophobicContact CB-CE2 3.67Å; C47-H71 PolarHBondContact SG-NE2 3.1Å; C47-H71 VanDerWaalsContact SG-NE2 3.43Å; C47-H76 PolarHBondContact SG-NE2 2.9Å; C47-H76 VanDerWaalsContact SG-NE2 3.39Å
48	R	84.4	Confident	77.4	Confident	103 Å²	103	69.1 Å²	69.1	39%	0.389	40%	0.397	S	S	.	.			trans	-99.6	13.7	175.2	-62.5	-177.6	161.3	-154	-15.2	112.7	H37 K39 I46 G50 S53	H37-R48 WeakPolarHBondContact O-CA 3.47Å; H37-R48 WeakPolarHBondContact O-CB 3.46Å; H37-R48 PolarHBondContact O-N 2.85Å; K39-R48 VanDerWaalsContact CD-CZ 3.4Å; I46-R48 PolarHBondContact O-N 3.27Å; R48-G50 PolarHBondContact O-N 3.02Å; R48-S53 WeakPolarHBondContact CA-O 3.15Å; R48-S53 WeakPolarHBondContact CB-O 3.35Å; R48-S53 WeakPolarHBondContact CG-O 3.46Å; R48-S53 CarbonylContact O-C 3.37Å; R48-S53 VanDerWaalsContact O-CA 3.3Å; R48-S53 WeakPolarHBondContact O-CA 3.43Å
49	Y	78.2	Confident	76.6	Confident	31 Å²	31	71.3 Å²	71.3	12%	0.122	41%	0.41	C	S	.	.			trans	-86.3	90.6	176.2	-163	-97.3	0	0	0	110.1	Q15 L16 F29 L33 H37 C47 C55 H76	Q15-Y49 PolarHBondContact N-OH 2.89Å; L16-Y49 HydrophobicContact CD1-CD2 3.53Å; L16-Y49 HydrophobicContact CD1-CE2 3.99Å; L16-Y49 HydrophobicContact CD1-CG 4.09Å; L16-Y49 HydrophobicContact CG-CD2 4.18Å; L16-Y49 HydrophobicContact CG-CE2 4.12Å; F29-Y49 HydrophobicContact CZ-CE1 4.37Å; F29-Y49 AromaticContact CZ-CZ 3.98Å; L33-Y49 HydrophobicContact CD2-CD1 4.33Å; L33-Y49 HydrophobicContact CD2-CD2 3.09Å; L33-Y49 HydrophobicContact CD2-CE2 3.41Å; L33-Y49 VanDerWaalsContact CD2-CE2 3.41Å; L33-Y49 HydrophobicContact CD2-CG 3.61Å; L33-Y49 HydrophobicContact CG-CD2 4.48Å; H37-Y49 HydrophobicContact CB-CD2 4.25Å; H37-Y49 AromaticContact CD2-CD2 3.92Å; H37-Y49 AromaticContact CG-CD2 3.91Å; C47-Y49 PolarHBondContact SG-N 2.95Å; Y49-C55 WeakPolarHBondContact O-CB 3.25Å; Y49-H76 HydrophobicContact CD1-CB 4.26Å; Y49-H76 AromaticContact CD1-CD2 3.81Å; Y49-H76 AromaticContact CD1-CE1 3.5Å; Y49-H76 VanDerWaalsContact CD1-CE1 3.5Å; Y49-H76 WeakPolarHBondContact CD1-CE1 3.46Å; Y49-H76 AromaticContact CD1-CG 3.56Å; Y49-H76 AromaticContact CD1-ND1 3.36Å; Y49-H76 WeakPolarHBondContact CD1-ND1 3.22Å; Y49-H76 AromaticContact CD1-NE2 3.77Å; Y49-H76 HydrophobicContact CE1-CB 4.3Å; Y49-H76 AromaticContact CE1-ND1 3.84Å; Y49-H76 PolarHBondContact O-CE1 3.26Å; Y49-H76 VanDerWaalsContact O-CE1 3.28Å
50	G	74	Confident	75.8	Confident	12 Å²	12	72.8 Å²	72.8	12%	0.124	43%	0.426	C	S	.	.	S	Bend	trans	-176.8	169.5	177.7	0	0	0	0	0	112.3	R48 Y52 S53	R48-G50 PolarHBondContact O-N 3.02Å; G50-Y52 PolarHBondContact O-N 3.48Å; G50-S53 PolarHBondContact O-N 2.94Å
51	P	63.3	Low	75	Confident	107 Å²	107	72.1 Å²	72.1	70%	0.695	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-58.5	129.9	170.8	25.8	-31.5	0	0	0	108.6
52	Y	69.6	Low	74.7	Confident	215 Å²	215	68.1 Å²	68.1	84%	0.843	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	67.8	28.3	-172.9	-41.4	-75.9	0	0	0	115.5	G50 T54	G50-Y52 PolarHBondContact O-N 3.48Å; Y52-T54 PolarHBondContact O-N 3.32Å; Y52-T54 PolarHBondContact O-OG1 3.01Å
53	S	71.2	Confident	75	Confident	69 Å²	69	64.4 Å²	64.4	48%	0.483	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	60.7	24.4	175.9	70.7	0	0	0	0	114.8	R48 G50	R48-S53 WeakPolarHBondContact CA-O 3.15Å; R48-S53 WeakPolarHBondContact CB-O 3.35Å; R48-S53 WeakPolarHBondContact CG-O 3.46Å; R48-S53 CarbonylContact O-C 3.37Å; R48-S53 VanDerWaalsContact O-CA 3.3Å; R48-S53 WeakPolarHBondContact O-CA 3.43Å; G50-S53 PolarHBondContact O-N 2.94Å
54	T	71.1	Confident	75.2	Confident	80 Å²	80	64 Å²	64	49%	0.491	36%	0.362	S	S	.	.			trans	-135	123.7	179	-52	0	0	0	0	109.1	Y52	Y52-T54 PolarHBondContact O-N 3.32Å; Y52-T54 PolarHBondContact O-OG1 3.01Å
55	C	77	Confident	75.4	Confident	10 Å²	10	64.8 Å²	64.8	7%	0.068	36%	0.363	C	S	.	.			trans	-83.5	128.7	170.8	-172.1	0	0	0	0	110	C47 Y49 A57 H71	C47-C55 HydrophobicContact CB-CB 3.93Å; C47-C55 PolarHBondContact O-N 2.73Å; Y49-C55 WeakPolarHBondContact O-CB 3.25Å; C55-A57 PolarHBondContact O-N 2.96Å; C55-H71 PolarHBondContact SG-CE1 2.64Å; C55-H71 PolarHBondContact SG-NE2 3.21Å; C55-H71 VanDerWaalsContact SG-NE2 3.36Å
56	S	70.8	Confident	75.5	Confident	123 Å²	123	70.3 Å²	70.3	86%	0.86	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.9	-179.5	54.3	0	0	0	0	114.3
57	A	69.1	Low	75.5	Confident	40 Å²	40	73 Å²	73	33%	0.331	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.9	-175.1	0	0	0	0	0	113.9	C55 V75	C55-A57 PolarHBondContact O-N 2.96Å; A57-V75 HydrophobicContact CB-CG1 4.5Å; A57-V75 HydrophobicContact CB-CG2 4.08Å
58	L	70.2	Confident	75.5	Confident	28 Å²	28	72.8 Å²	72.8	15%	0.147	40%	0.402	C	S	.	.	S	Bend	trans	-116.2	145.5	174.9	-78.6	180	0	0	0	111.5	C47 V63 Y68 H71	C47-L58 HydrophobicContact CB-CD1 3.67Å; L58-V63 HydrophobicContact CD1-CG2 3.92Å; L58-V63 HydrophobicContact CD2-CB 4.41Å; L58-V63 HydrophobicContact CD2-CG1 3.72Å; L58-V63 HydrophobicContact CD2-CG2 3.91Å; L58-Y68 HydrophobicContact CD1-CD2 4.2Å; L58-H71 HydrophobicContact CD1-CB 3.73Å; L58-H71 WeakPolarHBondContact CD1-CD2 3.47Å; L58-H71 HydrophobicContact CD2-CB 3.86Å; L58-H71 HydrophobicContact CG-CB 3.89Å
59	P	69.1	Low	75.5	Confident	71 Å²	71	70.4 Å²	70.4	46%	0.461	40%	0.396	S	S	.	.			trans	-62.1	142.8	175.2	25.9	-33	0	0	0	111.2	E61 G62 V63	P59-E61 PolarHBondContact O-N 3.16Å; P59-G62 PolarHBondContact O-N 3.43Å; P59-G62 VanDerWaalsContact O-N 3.13Å; P59-V63 HydrophobicContact CG-CG1 3.55Å
60	V	66.7	Low	75.8	Confident	109 Å²	109	73.5 Å²	73.5	66%	0.661	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.9	178	-177.6	0	0	0	0	111.5	G62	V60-G62 PolarHBondContact O-N 2.97Å; V60-G62 VanDerWaalsContact O-N 3.13Å
61	E	67.5	Low	76.3	Confident	167 Å²	167	73.5 Å²	73.5	78%	0.78	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-6	176.6	-55.2	-56.1	139.4	0	0	113.9	P59	P59-E61 PolarHBondContact O-N 3.16Å
62	G	75.5	Confident	77.3	Confident	13 Å²	13	68.4 Å²	68.4	13%	0.134	38%	0.375	C	S	.	.			trans	80	165.4	-178	0	0	0	0	0	113.3	F45 P59 V60	F45-G62 WeakPolarHBondContact O-CA 3.36Å; P59-G62 PolarHBondContact O-N 3.43Å; P59-G62 VanDerWaalsContact O-N 3.13Å; V60-G62 PolarHBondContact O-N 2.97Å; V60-G62 VanDerWaalsContact O-N 3.13Å
63	V	81.4	Confident	78	Confident	19 Å²	19	62.5 Å²	62.5	12%	0.115	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-131.8	171.1	-178	-65.4	0	0	0	0	111.9	F45 L58 P59 D67	F45-V63 PolarHBondContact N-O 3.4Å; F45-V63 PolarHBondContact O-N 3.32Å; L58-V63 HydrophobicContact CD1-CG2 3.92Å; L58-V63 HydrophobicContact CD2-CB 4.41Å; L58-V63 HydrophobicContact CD2-CG1 3.72Å; L58-V63 HydrophobicContact CD2-CG2 3.91Å; P59-V63 HydrophobicContact CG-CG1 3.55Å; V63-D67 HydrophobicContact CB-CB 3.8Å; V63-D67 HydrophobicContact CG2-CB 3.98Å
64	S	84.8	Confident	78.4	Confident	43 Å²	43	65.2 Å²	65.2	30%	0.301	36%	0.357	S	S	.	.			trans	-62.8	162.6	172.1	72.4	0	0	0	0	111.4	E66 D67 Y68	S64-E66 VanDerWaalsContact C-N 3.3Å; S64-E66 PolarHBondContact O-N 3.46Å; S64-D67 PolarHBondContact O-N 2.84Å; S64-D67 WeakPolarHBondContact OG-CB 3.39Å; S64-D67 PolarHBondContact OG-N 2.86Å; S64-D67 VanDerWaalsContact OG-N 3.15Å; S64-D67 PolarHBondContact OG-OD2 3.08Å; S64-Y68 WeakPolarHBondContact O-CB 3.18Å; S64-Y68 PolarHBondContact O-N 3.2Å
65	D	85.7	Confident	78.7	Confident	62 Å²	62	64.3 Å²	64.3	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-39.6	177.9	-171.8	48.3	0	0	0	111.7	R34 F45 Y68 E69	R34-D65 IonicContact CZ-OD1 3.02Å; R34-D65 IonicContact NE-OD1 3.7Å; R34-D65 IonicContact NH2-OD1 2.69Å; R34-D65 PolarHBondContact NH2-OD1 3.32Å; R34-D65 IonicContact NH2-OD2 2.7Å; R34-D65 PolarHBondContact NH2-OD2 2.92Å; R34-D65 VanDerWaalsContact NH2-OD2 3.09Å; F45-D65 HydrophobicContact CD2-CB 4.09Å; F45-D65 HydrophobicContact CE2-CB 3.6Å; F45-D65 HydrophobicContact CZ-CB 4Å; F45-D65 WeakPolarHBondContact CZ-OD1 3.36Å; D65-Y68 PolarHBondContact O-N 3.28Å; D65-E69 PolarHBondContact O-N 2.98Å; D65-E69 VanDerWaalsContact O-N 3.08Å
66	E	85.6	Confident	78.9	Confident	141 Å²	141	64.8 Å²	64.8	66%	0.659	35%	0.352	S	S	*	.	H	α-helix	trans	-64.5	-46.3	177.2	-65.8	115.4	172.9	0	0	111.7	S64 Y68 E69 E70	S64-E66 VanDerWaalsContact C-N 3.3Å; S64-E66 PolarHBondContact O-N 3.46Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 3.26Å; E66-E69 PolarHBondContact O-N 3.06Å; E66-E70 PolarHBondContact O-N 2.78Å
67	D	84.5	Confident	79.2	Confident	85 Å²	85	60.5 Å²	60.5	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-36.5	177.8	-68.9	-40.8	0	0	0	111.8	V63 S64 E70 H71	V63-D67 HydrophobicContact CB-CB 3.8Å; V63-D67 HydrophobicContact CG2-CB 3.98Å; S64-D67 PolarHBondContact O-N 2.84Å; S64-D67 WeakPolarHBondContact OG-CB 3.39Å; S64-D67 PolarHBondContact OG-N 2.86Å; S64-D67 VanDerWaalsContact OG-N 3.15Å; S64-D67 PolarHBondContact OG-OD2 3.08Å; D67-E70 PolarHBondContact O-N 2.95Å; D67-H71 VanDerWaalsContact O-CB 3.28Å; D67-H71 WeakPolarHBondContact O-CB 3.41Å; D67-H71 PolarHBondContact O-N 2.86Å
68	Y	85.5	Confident	79	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-47.3	176.2	-179.3	-89	0	0	0	111.3	L33 R34 C38 F45 C47 L58 S64 D65 E66 E70 H71 V72	L33-Y68 PolarHBondContact O-OH 2.87Å; R34-Y68 HydrophobicContact CG-CD1 4.14Å; R34-Y68 HydrophobicContact CG-CE1 3.54Å; C38-Y68 HydrophobicContact CB-CE2 4.23Å; F45-Y68 HydrophobicContact CB-CD2 3.73Å; F45-Y68 HydrophobicContact CB-CE2 4.5Å; F45-Y68 HydrophobicContact CB-CG 3.85Å; C47-Y68 HydrophobicContact CB-CD2 4.3Å; C47-Y68 HydrophobicContact CB-CE2 3.67Å; L58-Y68 HydrophobicContact CD1-CD2 4.2Å; S64-Y68 WeakPolarHBondContact O-CB 3.18Å; S64-Y68 PolarHBondContact O-N 3.2Å; D65-Y68 PolarHBondContact O-N 3.28Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 3.26Å; Y68-E70 PolarHBondContact O-N 2.94Å; Y68-H71 WeakPolarHBondContact O-CB 3.44Å; Y68-H71 PolarHBondContact O-N 2.98Å; Y68-V72 HydrophobicContact CD1-CG2 4.11Å; Y68-V72 HydrophobicContact CE1-CG2 3.61Å; Y68-V72 HydrophobicContact CE2-CG2 4.48Å; Y68-V72 WeakPolarHBondContact O-CG2 3.26Å; Y68-V72 PolarHBondContact O-N 3.12Å
69	E	85.1	Confident	78.3	Confident	53 Å²	53	64.2 Å²	64.2	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-47	176.2	-73.8	-162.1	-171	0	0	112.3	R34 D65 E66 H71 V72 K73	R34-E69 IonicContact CZ-OE1 3.85Å; R34-E69 IonicContact NH1-OE1 3.09Å; R34-E69 PolarHBondContact NH1-OE1 3.31Å; R34-E69 VanDerWaalsContact NH2-CD 3.25Å; R34-E69 IonicContact NH2-OE1 4Å; R34-E69 PolarHBondContact NH2-OE1 2.94Å; D65-E69 PolarHBondContact O-N 2.98Å; D65-E69 VanDerWaalsContact O-N 3.08Å; E66-E69 PolarHBondContact O-N 3.06Å; E69-H71 VanDerWaalsContact C-N 3.27Å; E69-H71 PolarHBondContact O-N 2.88Å; E69-V72 PolarHBondContact O-N 2.99Å; E69-K73 WeakPolarHBondContact O-CB 3.5Å; E69-K73 VanDerWaalsContact O-CG 3.29Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.39Å; E69-K73 IonicContact OE2-NZ 2.73Å; E69-K73 PolarHBondContact OE2-NZ 3.36Å
70	E	83.7	Confident	76.9	Confident	96 Å²	96	64.7 Å²	64.7	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-41.3	179.8	-77.2	-160.1	-174.2	0	0	111.6	E66 D67 Y68 K73 K74	E66-E70 PolarHBondContact O-N 2.78Å; D67-E70 PolarHBondContact O-N 2.95Å; Y68-E70 PolarHBondContact O-N 2.94Å; E70-K73 PolarHBondContact O-N 3.14Å; E70-K74 WeakPolarHBondContact O-CB 3.5Å; E70-K74 VanDerWaalsContact O-CG 3.27Å; E70-K74 WeakPolarHBondContact O-CG 3.36Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-K74 IonicContact OE2-NZ 2.64Å; E70-K74 PolarHBondContact OE2-NZ 3.16Å
71	H	85	Confident	75.7	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.056	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-49.7	174.6	162.7	67.5	0	0	0	111.7	C47 C55 L58 D67 Y68 E69 K73 K74 V75 H76	C47-H71 PolarHBondContact SG-NE2 3.1Å; C47-H71 VanDerWaalsContact SG-NE2 3.43Å; C55-H71 PolarHBondContact SG-CE1 2.64Å; C55-H71 PolarHBondContact SG-NE2 3.21Å; C55-H71 VanDerWaalsContact SG-NE2 3.36Å; L58-H71 HydrophobicContact CD1-CB 3.73Å; L58-H71 WeakPolarHBondContact CD1-CD2 3.47Å; L58-H71 HydrophobicContact CD2-CB 3.86Å; L58-H71 HydrophobicContact CG-CB 3.89Å; D67-H71 VanDerWaalsContact O-CB 3.28Å; D67-H71 WeakPolarHBondContact O-CB 3.41Å; D67-H71 PolarHBondContact O-N 2.86Å; Y68-H71 WeakPolarHBondContact O-CB 3.44Å; Y68-H71 PolarHBondContact O-N 2.98Å; E69-H71 VanDerWaalsContact C-N 3.27Å; E69-H71 PolarHBondContact O-N 2.88Å; H71-K73 VanDerWaalsContact C-N 3.32Å; H71-K73 PolarHBondContact O-N 3.28Å; H71-K74 PolarHBondContact O-N 3.44Å; H71-V75 WeakPolarHBondContact ND1-CG2 3.44Å; H71-V75 WeakPolarHBondContact O-CB 3.47Å; H71-V75 WeakPolarHBondContact O-CG2 3.31Å; H71-V75 PolarHBondContact O-N 3.29Å; H71-H76 AromaticContact CE1-NE2 3.75Å; H71-H76 AromaticContact NE2-CD2 3.71Å; H71-H76 AromaticContact NE2-NE2 3.12Å; H71-H76 PolarHBondContact NE2-NE2 3.13Å; H71-H76 VanDerWaalsContact NE2-NE2 3.12Å
72	V	84.6	Confident	74.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	37%	0.365	C	S	.	.	I	π-helix	trans	-61.1	-43.7	-180	174.7	0	0	0	0	110.6	I30 L33 Y68 E69 H76 L77	I30-V72 HydrophobicContact CB-CG1 4.38Å; I30-V72 HydrophobicContact CG1-CG1 3.93Å; I30-V72 HydrophobicContact CG2-CG1 4.27Å; L33-V72 HydrophobicContact CB-CG1 4.5Å; L33-V72 HydrophobicContact CD1-CG1 3.44Å; L33-V72 VanDerWaalsContact CD1-CG1 3.44Å; Y68-V72 HydrophobicContact CD1-CG2 4.11Å; Y68-V72 HydrophobicContact CE1-CG2 3.61Å; Y68-V72 HydrophobicContact CE2-CG2 4.48Å; Y68-V72 WeakPolarHBondContact O-CG2 3.26Å; Y68-V72 PolarHBondContact O-N 3.12Å; E69-V72 PolarHBondContact O-N 2.99Å; V72-H76 HydrophobicContact CG1-CB 4.36Å; V72-H76 WeakPolarHBondContact O-CA 3.37Å; V72-H76 WeakPolarHBondContact O-CB 3.43Å; V72-H76 PolarHBondContact O-N 3.43Å; V72-L77 PolarHBondContact O-N 3.25Å
73	K	83.5	Confident	72.6	Confident	92 Å²	92	63.4 Å²	63.4	40%	0.4	39%	0.388	S	S	.	.	I	π-helix	trans	-61.3	-44.3	176.8	-69.7	167.2	-169.2	164.5	0	112.1	I30 E69 E70 H71 L77	I30-K73 HydrophobicContact CD1-CG 3.87Å; E69-K73 WeakPolarHBondContact O-CB 3.5Å; E69-K73 VanDerWaalsContact O-CG 3.29Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.39Å; E69-K73 IonicContact OE2-NZ 2.73Å; E69-K73 PolarHBondContact OE2-NZ 3.36Å; E70-K73 PolarHBondContact O-N 3.14Å; H71-K73 VanDerWaalsContact C-N 3.32Å; H71-K73 PolarHBondContact O-N 3.28Å; K73-L77 HydrophobicContact CB-CD1 4.45Å; K73-L77 HydrophobicContact CG-CD1 4.08Å; K73-L77 WeakPolarHBondContact O-CB 3.47Å
74	K	79.7	Confident	70.7	Confident	125 Å²	125	71 Å²	71	54%	0.543	43%	0.427	S	S	.	.	I	π-helix	trans	-77.4	-36.9	-176.1	-72.2	168.7	-178.9	162.3	0	113.3	E70 H71 A78	E70-K74 WeakPolarHBondContact O-CB 3.5Å; E70-K74 VanDerWaalsContact O-CG 3.27Å; E70-K74 WeakPolarHBondContact O-CG 3.36Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-K74 IonicContact OE2-NZ 2.64Å; E70-K74 PolarHBondContact OE2-NZ 3.16Å; H71-K74 PolarHBondContact O-N 3.44Å; K74-A78 WeakPolarHBondContact O-CB 3.16Å
75	V	77.8	Confident	68.2	Low	62 Å²	62	73.4 Å²	73.4	38%	0.376	44%	0.44	S	S	.	.	I	π-helix	trans	-103.4	-39.1	-169.3	-176.5	0	0	0	0	112.6	A57 H71	A57-V75 HydrophobicContact CB-CG1 4.5Å; A57-V75 HydrophobicContact CB-CG2 4.08Å; H71-V75 WeakPolarHBondContact ND1-CG2 3.44Å; H71-V75 WeakPolarHBondContact O-CB 3.47Å; H71-V75 WeakPolarHBondContact O-CG2 3.31Å; H71-V75 PolarHBondContact O-N 3.29Å
76	H	81.5	Confident	65.9	Low	20 Å²	20	78.4 Å²	78.4	9%	0.093	47%	0.466	C	S	.	.	I	π-helix	trans	-103.8	-29.7	-171.7	-58	-41.2	0	0	0	113.5	F29 L33 C47 Y49 H71 V72 A79	F29-H76 HydrophobicContact CE1-CB 4.11Å; L33-H76 HydrophobicContact CD1-CB 3.97Å; C47-H76 PolarHBondContact SG-NE2 2.9Å; C47-H76 VanDerWaalsContact SG-NE2 3.39Å; Y49-H76 HydrophobicContact CD1-CB 4.26Å; Y49-H76 AromaticContact CD1-CD2 3.81Å; Y49-H76 AromaticContact CD1-CE1 3.5Å; Y49-H76 VanDerWaalsContact CD1-CE1 3.5Å; Y49-H76 WeakPolarHBondContact CD1-CE1 3.46Å; Y49-H76 AromaticContact CD1-CG 3.56Å; Y49-H76 AromaticContact CD1-ND1 3.36Å; Y49-H76 WeakPolarHBondContact CD1-ND1 3.22Å; Y49-H76 AromaticContact CD1-NE2 3.77Å; Y49-H76 HydrophobicContact CE1-CB 4.3Å; Y49-H76 AromaticContact CE1-ND1 3.84Å; Y49-H76 PolarHBondContact O-CE1 3.26Å; Y49-H76 VanDerWaalsContact O-CE1 3.28Å; H71-H76 AromaticContact CE1-NE2 3.75Å; H71-H76 AromaticContact NE2-CD2 3.71Å; H71-H76 AromaticContact NE2-NE2 3.12Å; H71-H76 PolarHBondContact NE2-NE2 3.13Å; H71-H76 VanDerWaalsContact NE2-NE2 3.12Å; V72-H76 HydrophobicContact CG1-CB 4.36Å; V72-H76 WeakPolarHBondContact O-CA 3.37Å; V72-H76 WeakPolarHBondContact O-CB 3.43Å; V72-H76 PolarHBondContact O-N 3.43Å; H76-A79 WeakPolarHBondContact O-CB 3.22Å
77	L	76.9	Confident	63.7	Low	32 Å²	32	77.3 Å²	77.3	17%	0.168	47%	0.469	C	S	.	.	I	π-helix	trans	-82.1	-31.9	173.8	-80.2	175.9	0	0	0	113.6	A26 F29 I30 V72 K73 A79	A26-L77 HydrophobicContact CB-CD1 4.01Å; A26-L77 HydrophobicContact CB-CD2 3.6Å; A26-L77 HydrophobicContact CB-CG 4.47Å; F29-L77 HydrophobicContact CB-CD2 4.45Å; F29-L77 HydrophobicContact CD1-CD2 3.54Å; F29-L77 HydrophobicContact CD1-CG 4.16Å; F29-L77 HydrophobicContact CE1-CD2 4.25Å; F29-L77 HydrophobicContact CG-CD2 4.42Å; I30-L77 HydrophobicContact CD1-CD1 3.48Å; I30-L77 VanDerWaalsContact CD1-CD1 3.48Å; I30-L77 HydrophobicContact CG1-CD1 3.54Å; I30-L77 HydrophobicContact CG1-CG 4.24Å; V72-L77 PolarHBondContact O-N 3.25Å; K73-L77 HydrophobicContact CB-CD1 4.45Å; K73-L77 HydrophobicContact CG-CD1 4.08Å; K73-L77 WeakPolarHBondContact O-CB 3.47Å; L77-A79 PolarHBondContact O-N 2.83Å
78	A	64.9	Low	61.5	Low	75 Å²	75	80.7 Å²	80.7	62%	0.62	49%	0.486	S	S	*	.	S	Bend	trans	-73.6	18.6	177.1	0	0	0	0	0	113.8	K74 A80	K74-A78 WeakPolarHBondContact O-CB 3.16Å; A78-A80 PolarHBondContact O-N 3.41Å
79	A	56.2	Low	59.1	Low	72 Å²	72	85.1 Å²	85.1	60%	0.595	52%	0.516	S	S	*	.			trans	-66.6	94	-173.1	0	0	0	0	0	112.7	H76 L77	H76-A79 WeakPolarHBondContact O-CB 3.22Å; L77-A79 PolarHBondContact O-N 2.83Å
80	A	39.1	Very low	57.1	Low	81 Å²	81	86.9 Å²	86.9	67%	0.669	54%	0.535	S	S	*	.	S	Bend		-82	139.8	125.3	0	0	0	0	0	107.4	A78 A82	A78-A80 PolarHBondContact O-N 3.41Å; A80-A82 PolarHBondContact O-N 3.47Å
81	P	40.8	Very low	55.3	Low	119 Å²	119	90.5 Å²	90.5	77%	0.773	56%	0.556	S	S	*	*			trans	-69.9	96	-166.3	29.4	-34.1	0	0	0	110.5	G83	P81-G83 PolarHBondContact O-N 3.3Å
82	A	41.5	Very low	53.3	Low	83 Å²	83	97.3 Å²	97.3	69%	0.686	59%	0.588	S	S	*	*			trans	-78.6	61.6	173.1	0	0	0	0	0	110.9	A80 L84	A80-A82 PolarHBondContact O-N 3.47Å; A82-L84 PolarHBondContact O-N 3.19Å
83	G	36.6	Very low	51.4	Low	60 Å²	60	102.7 Å²	102.7	62%	0.619	62%	0.623	S	S	*	*	S	Bend	trans	-66.8	111.7	148.5	0	0	0	0	0	107.8	P81 T85	P81-G83 PolarHBondContact O-N 3.3Å; G83-T85 VanDerWaalsContact C-N 3.26Å; G83-T85 PolarHBondContact O-N 3.13Å
84	L	40.7	Very low	49.3	Very low	177 Å²	177	102.3 Å²	102.3	93%	0.927	63%	0.632	S	S	*	*	S	Bend	trans	53.1	23.3	161.3	-63.1	173.2	0	0	0	118.4	A82 L86	A82-L84 PolarHBondContact O-N 3.19Å; L84-L86 PolarHBondContact O-N 3.05Å; L84-L86 VanDerWaalsContact O-N 3.16Å
85	T	32.5	Very low	48.2	Very low	95 Å²	95	104.2 Å²	104.2	58%	0.583	65%	0.646	S	S	*	*			trans	-83.1	101.1	169.1	1	0	0	0	0	108.3	G83 T87	G83-T85 VanDerWaalsContact C-N 3.26Å; G83-T85 PolarHBondContact O-N 3.13Å; T85-T87 PolarHBondContact O-N 2.92Å; T85-T87 PolarHBondContact O-OG1 3.33Å
86	L	38.1	Very low	46.8	Very low	167 Å²	167	106.6 Å²	106.6	87%	0.874	66%	0.661	S	S	*	*			trans	-46.5	83	152.3	-69.6	164.1	0	0	0	107.8	L84 L88	L84-L86 PolarHBondContact O-N 3.05Å; L84-L86 VanDerWaalsContact O-N 3.16Å; L86-L88 PolarHBondContact O-N 2.7Å
87	T	38.9	Very low	44.9	Very low	117 Å²	117	112.5 Å²	112.5	72%	0.718	69%	0.688	S	S	*	*			trans	-71.1	97.2	173.6	-7	0	0	0	0	104.6	T85 C89	T85-T87 PolarHBondContact O-N 2.92Å; T85-T87 PolarHBondContact O-OG1 3.33Å; T87-C89 PolarHBondContact O-N 2.83Å
88	L	38	Very low	43	Very low	156 Å²	156	117 Å²	117	82%	0.817	71%	0.713	S	S	*	*			trans	-32.8	87.1	166.3	-159.6	76.9	0	0	0	108.4	L86 S90	L86-L88 PolarHBondContact O-N 2.7Å; L88-S90 PolarHBondContact O-N 3.22Å
89	C	36.6	Very low	42.2	Very low	93 Å²	93	118.7 Å²	118.7	63%	0.628	72%	0.72	S	S	*	*			trans	-63.6	113.6	179	-81.2	0	0	0	0	105	T87 L91	T87-C89 PolarHBondContact O-N 2.83Å; C89-L91 PolarHBondContact O-N 2.7Å
90	S	42.4	Very low	42	Very low	91 Å²	91	120.8 Å²	120.8	64%	0.636	73%	0.725	S	S	*	*			trans	-27.6	123.7	-178.6	-173.2	0	0	0	0	111.6	L88 Q92	L88-S90 PolarHBondContact O-N 3.22Å; S90-Q92 PolarHBondContact O-N 2.92Å
91	L	45.3	Very low	42.4	Very low	171 Å²	171	122.5 Å²	122.5	90%	0.895	72%	0.72	S	S	*	*	S	Bend	trans	-61.3	18.1	174.5	-89	143.1	0	0	0	113.6	C89	C89-L91 PolarHBondContact O-N 2.7Å
92	Q	43.6	Very low	42.7	Very low	155 Å²	155	121.3 Å²	121.3	72%	0.724	71%	0.713	S	S	*	*			trans	-113.5	107.7	179.9	-158.1	169.2	3.8	0	0	109.7	S90 S94	S90-Q92 PolarHBondContact O-N 2.92Å; Q92-S94 PolarHBondContact O-N 3.07Å
93	P	44	Very low	42.9	Very low	114 Å²	114	125.3 Å²	125.3	74%	0.74	71%	0.71	S	S	*	*			trans	-68.2	97.4	170.7	27.4	-29.5	0	0	0	108.2	I95	P93-I95 PolarHBondContact O-N 3.15Å
94	S	40.9	Very low	43.6	Very low	84 Å²	84	124.6 Å²	124.6	59%	0.587	70%	0.696	S	S	*	*			trans	-70	116.9	167.6	-178.4	0	0	0	0	108.5	Q92 V96	Q92-S94 PolarHBondContact O-N 3.07Å; S94-V96 PolarHBondContact O-N 3.41Å; S94-V96 PolarHBondContact OG-O 3.49Å; S94-V96 VanDerWaalsContact OG-O 3.1Å
95	I	57.1	Low	44	Very low	165 Å²	165	123 Å²	123	85%	0.846	69%	0.688	S	S	*	*	S	Bend	trans	-72.3	-4.4	-176	-80.2	166.4	0	0	0	112.7	P93	P93-I95 PolarHBondContact O-N 3.15Å
96	V	47.8	Very low	44.6	Very low	111 Å²	111	123 Å²	123	67%	0.673	69%	0.691	S	S	*	*			trans	-150.4	121.3	-178.7	-168.4	0	0	0	0	109	S94	S94-V96 PolarHBondContact O-N 3.41Å; S94-V96 PolarHBondContact OG-O 3.49Å; S94-V96 VanDerWaalsContact OG-O 3.1Å
97	Q	40.8	Very low	45	Very low	144 Å²	144	120 Å²	120	67%	0.673	67%	0.667	S	S	*	*			trans	157.1	93.7	154.5	-88.9	163	-6.9	0	0	108.7
98	D	38.6	Very low	45.6	Very low	128 Å²	128	118 Å²	118	68%	0.684	66%	0.658	S	S	*	*				70.8	113.7	83.1	-149.1	-0.8	0	0	0	112.8	T100	D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 3.35Å
99	S	46.9	Very low	46.7	Very low	110 Å²	110	113.4 Å²	113.4	77%	0.769	64%	0.637	S	S	*	*	S	Bend	trans	4.2	-2.8	169	50.8	0	0	0	0	124.8
100	T	52.4	Low	47.9	Very low	115 Å²	115	114.7 Å²	114.7	71%	0.706	63%	0.634	S	S	*	*			trans	-114.6	-0.4	-166.3	57	0	0	0	0	117	D98	D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 3.35Å
101	Q	46.7	Very low	49	Very low	118 Å²	118	114.8 Å²	114.8	55%	0.551	63%	0.627	S	S	*	*			trans	-79.2	140.5	-179	-65.7	178	11.2	0	0	111.4	R107	Q101-R107 PolarHBondContact O-NH1 3.18Å
102	C	46.9	Very low	50.1	Low	93 Å²	93	108.4 Å²	108.4	63%	0.628	59%	0.594	S	S	*	*			trans	-59.1	142	172.2	178.8	0	0	0	0	111.5	S104 R107	C102-S104 PolarHBondContact O-N 2.88Å; C102-S104 VanDerWaalsContact O-N 3.1Å; C102-R107 PolarHBondContact O-NH1 2.58Å
103	W	46.9	Very low	51.2	Low	167 Å²	167	102.3 Å²	102.3	63%	0.633	57%	0.568	S	S	*	*			trans	-73.1	100.7	174.1	-172.3	88.2	0	0	0	109.4
104	S	51.5	Low	52.5	Low	46 Å²	46	99.5 Å²	99.5	32%	0.322	56%	0.555	S	S	.	*			trans	-87.2	153.2	170	61.2	0	0	0	0	110.4	C102 C106 R107	C102-S104 PolarHBondContact O-N 2.88Å; C102-S104 VanDerWaalsContact O-N 3.1Å; S104-C106 PolarHBondContact O-N 3.38Å; S104-R107 WeakPolarHBondContact O-CA 3.43Å; S104-R107 WeakPolarHBondContact O-CB 3.46Å; S104-R107 PolarHBondContact O-N 3.24Å
105	L	47.6	Very low	53.8	Low	144 Å²	144	97.2 Å²	97.2	75%	0.754	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-52.8	-26.8	-179.2	-154.9	93.2	0	0	0	113.1	R107 S108	L105-R107 VanDerWaalsContact C-N 3.33Å; L105-S108 PolarHBondContact O-OG 3.36Å
106	C	45.2	Very low	54.3	Low	95 Å²	95	91.9 Å²	91.9	64%	0.642	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-72.3	-21.6	175.2	-61.2	0	0	0	0	113.8	S104 S108 T109	S104-C106 PolarHBondContact O-N 3.38Å; C106-S108 VanDerWaalsContact C-N 3.26Å; C106-S108 PolarHBondContact O-N 3.3Å; C106-T109 PolarHBondContact O-N 3.04Å
107	R	47.3	Very low	55.6	Low	102 Å²	102	92.3 Å²	92.3	39%	0.385	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-76.1	-12.3	178.8	-149.3	174.5	-162.4	171.7	-5.9	113.7	Q101 C102 S104 L105 T109	Q101-R107 PolarHBondContact O-NH1 3.18Å; C102-R107 PolarHBondContact O-NH1 2.58Å; S104-R107 WeakPolarHBondContact O-CA 3.43Å; S104-R107 WeakPolarHBondContact O-CB 3.46Å; S104-R107 PolarHBondContact O-N 3.24Å; L105-R107 VanDerWaalsContact C-N 3.33Å; R107-T109 PolarHBondContact O-N 3.02Å
108	S	51	Low	57.1	Low	76 Å²	76	88 Å²	88	53%	0.531	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-64.2	-13.7	168.8	66.5	0	0	0	0	113.2	L105 C106 Q110	L105-S108 PolarHBondContact O-OG 3.36Å; C106-S108 VanDerWaalsContact C-N 3.26Å; C106-S108 PolarHBondContact O-N 3.3Å; S108-Q110 PolarHBondContact O-N 3.48Å
109	T	60.5	Low	58.8	Low	60 Å²	60	88 Å²	88	37%	0.368	50%	0.497	S	S	.	.	S	Bend	trans	-97.8	88.1	176.5	-48.6	0	0	0	0	109	C106 R107 N111 V206	C106-T109 PolarHBondContact O-N 3.04Å; R107-T109 PolarHBondContact O-N 3.02Å; T109-N111 PolarHBondContact O-N 2.86Å; T109-V206 HydrophobicContact CG2-CG1 3.9Å
110	Q	62.3	Low	60.3	Low	119 Å²	119	93.8 Å²	93.8	56%	0.556	50%	0.502	S	S	*	.			trans	-56.6	132.4	164	-67.6	-178.5	3.3	0	0	108	S108 L112	S108-Q110 PolarHBondContact O-N 3.48Å; Q110-L112 PolarHBondContact O-N 3.16Å
111	N	65.9	Low	61.1	Low	93 Å²	93	94 Å²	94	50%	0.497	49%	0.49	S	S	.	.			trans	-71.4	79.1	171.3	-173	-23.6	0	0	0	108.2	T109 S113 A114 V115	T109-N111 PolarHBondContact O-N 2.86Å; N111-S113 PolarHBondContact O-N 2.93Å; N111-S113 PolarHBondContact OD1-N 3.46Å; N111-S113 PolarHBondContact OD1-OG 2.86Å; N111-A114 HydrophobicContact CB-CB 3.99Å; N111-A114 WeakPolarHBondContact O-CB 3.14Å; N111-A114 PolarHBondContact O-N 3.03Å; N111-A114 PolarHBondContact OD1-N 2.95Å; N111-V115 PolarHBondContact O-N 3.21Å
112	L	67.7	Low	62	Low	37 Å²	37	93.1 Å²	93.1	19%	0.194	49%	0.489	C	S	.	.	H	α-helix	trans	-54.6	-35.8	-178.1	-80.4	131.6	0	0	0	111.3	Q110 V115 L116 F129 F130	Q110-L112 PolarHBondContact O-N 3.16Å; L112-V115 PolarHBondContact O-N 2.78Å; L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.35Å; L112-F129 HydrophobicContact CD2-CD1 4.09Å; L112-F129 HydrophobicContact CD2-CE1 3.4Å; L112-F129 VanDerWaalsContact CD2-CE1 3.4Å; L112-F129 HydrophobicContact CD2-CZ 4.2Å; L112-F130 HydrophobicContact CD2-CE1 4.01Å; L112-F130 HydrophobicContact CD2-CZ 4.25Å
113	S	67.5	Low	62.9	Low	28 Å²	28	99.4 Å²	99.4	20%	0.196	50%	0.499	C	S	.	.	H	α-helix	trans	-64.6	-41.1	175.7	30.2	0	0	0	0	111.9	N111 L116 N117 A204	N111-S113 PolarHBondContact O-N 2.93Å; N111-S113 PolarHBondContact OD1-N 3.46Å; N111-S113 PolarHBondContact OD1-OG 2.86Å; S113-L116 PolarHBondContact O-N 2.77Å; S113-N117 WeakPolarHBondContact O-CB 3.3Å; S113-N117 PolarHBondContact O-N 3.32Å; S113-N117 PolarHBondContact O-ND2 3.42Å; S113-A204 PolarHBondContact OG-O 3.29Å
114	A	71.1	Confident	63.9	Low	55 Å²	55	94.3 Å²	94.3	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-63.8	-41.8	172.8	0	0	0	0	0	112.4	N111 L116 N117 D118	N111-A114 HydrophobicContact CB-CB 3.99Å; N111-A114 WeakPolarHBondContact O-CB 3.14Å; N111-A114 PolarHBondContact O-N 3.03Å; N111-A114 PolarHBondContact OD1-N 2.95Å; A114-L116 PolarHBondContact O-N 2.98Å; A114-N117 PolarHBondContact O-N 3.46Å; A114-D118 PolarHBondContact O-N 2.97Å; A114-D118 VanDerWaalsContact O-N 3.15Å
115	V	68.8	Low	64.4	Low	36 Å²	36	96.8 Å²	96.8	22%	0.218	50%	0.497	C	S	.	.	H	α-helix	trans	-64.8	-39.1	178.2	176.8	0	0	0	0	111.9	N111 L112 R121 F129	N111-V115 PolarHBondContact O-N 3.21Å; L112-V115 PolarHBondContact O-N 2.78Å; V115-R121 WeakPolarHBondContact O-CD 3.17Å; V115-F129 HydrophobicContact CG1-CD2 4.32Å; V115-F129 HydrophobicContact CG1-CE2 3.78Å; V115-F129 HydrophobicContact CG1-CZ 4.25Å
116	L	67	Low	65.1	Low	52 Å²	52	91.6 Å²	91.6	27%	0.272	48%	0.475	S	S	.	.	H	α-helix	trans	-79.2	-25.8	-179.9	-66.6	171.9	0	0	0	112.8	L112 S113 A114 A126 F129 F130	L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.35Å; S113-L116 PolarHBondContact O-N 2.77Å; A114-L116 PolarHBondContact O-N 2.98Å; L116-A126 HydrophobicContact CD2-CB 3.87Å; L116-F129 HydrophobicContact CD2-CB 4.05Å; L116-F129 HydrophobicContact CD2-CD1 4.46Å; L116-F129 HydrophobicContact CD2-CG 4.18Å; L116-F130 HydrophobicContact CD1-CE2 4.07Å; L116-F130 HydrophobicContact CD1-CZ 4.12Å
117	N	74.9	Confident	65.9	Low	121 Å²	121	90.5 Å²	90.5	65%	0.647	47%	0.467	S	S	*	.	H	α-helix	trans	-91.8	-2	178.9	-69.5	-31.1	0	0	0	113.9	S113 A114 P119	S113-N117 WeakPolarHBondContact O-CB 3.3Å; S113-N117 PolarHBondContact O-N 3.32Å; S113-N117 PolarHBondContact O-ND2 3.42Å; A114-N117 PolarHBondContact O-N 3.46Å; N117-P119 WeakPolarHBondContact O-CD 3.15Å
118	D	73	Confident	66.6	Low	54 Å²	54	88.7 Å²	88.7	29%	0.289	47%	0.465	S	S	.	.			trans	-61.9	114	178.8	-174	-9.4	0	0	0	110.6	A114 R120 R121	A114-D118 PolarHBondContact O-N 2.97Å; A114-D118 VanDerWaalsContact O-N 3.15Å; D118-R120 PolarHBondContact O-N 3.1Å; D118-R120 VanDerWaalsContact O-N 3.14Å; D118-R120 VanDerWaalsContact OD1-CB 3.26Å; D118-R120 WeakPolarHBondContact OD1-CB 2.93Å; D118-R120 WeakPolarHBondContact OD1-CG 3.32Å; D118-R120 PolarHBondContact OD1-N 3.34Å; D118-R121 HydrophobicContact CB-CB 4.42Å; D118-R121 HydrophobicContact CB-CG 4.09Å; D118-R121 PolarHBondContact O-N 2.72Å; D118-R121 VanDerWaalsContact O-N 3.07Å; D118-R121 IonicContact OD2-NE 2.58Å
119	P	73.7	Confident	67.2	Low	127 Å²	127	85.7 Å²	85.7	83%	0.825	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.8	-179.4	-17.1	30	0	0	0	113.4	N117 R121	N117-P119 WeakPolarHBondContact O-CD 3.15Å; P119-R121 VanDerWaalsContact C-N 3.27Å
120	R	78.3	Confident	67.2	Low	231 Å²	231	85.7 Å²	85.7	87%	0.872	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.3	178.8	-57	176.5	176.7	-175.9	-0.8	112	D118	D118-R120 PolarHBondContact O-N 3.1Å; D118-R120 VanDerWaalsContact O-N 3.14Å; D118-R120 VanDerWaalsContact OD1-CB 3.26Å; D118-R120 WeakPolarHBondContact OD1-CB 2.93Å; D118-R120 WeakPolarHBondContact OD1-CG 3.32Å; D118-R120 PolarHBondContact OD1-N 3.34Å
121	R	68.4	Low	67.1	Low	120 Å²	120	84 Å²	84	45%	0.453	43%	0.431	S	S	.	.	S	Bend	trans	-93.1	134.7	177.2	-67.4	-174.9	174.7	-138.3	-3.9	109.6	V115 D118 P119 R123	V115-R121 WeakPolarHBondContact O-CD 3.17Å; D118-R121 HydrophobicContact CB-CB 4.42Å; D118-R121 HydrophobicContact CB-CG 4.09Å; D118-R121 PolarHBondContact O-N 2.72Å; D118-R121 VanDerWaalsContact O-N 3.07Å; D118-R121 IonicContact OD2-NE 2.58Å; P119-R121 VanDerWaalsContact C-N 3.27Å; R121-R123 PolarHBondContact O-N 3.13Å
122	D	67	Low	67	Low	99 Å²	99	87.4 Å²	87.4	53%	0.529	44%	0.438	S	S	.	.			trans	-60.9	132.1	175.2	-179.1	34.8	0	0	0	110.1	S124 M125	D122-S124 PolarHBondContact O-N 3.21Å; D122-S124 VanDerWaalsContact O-N 3.1Å; D122-S124 WeakPolarHBondContact OD2-CB 3.14Å; D122-S124 PolarHBondContact OD2-OG 2.78Å; D122-M125 HydrophobicContact CB-CG 4.5Å; D122-M125 VanDerWaalsContact O-CB 3.3Å; D122-M125 WeakPolarHBondContact O-CB 3.34Å; D122-M125 PolarHBondContact O-N 3.47Å
123	R	66.3	Low	66.6	Low	225 Å²	225	91.5 Å²	91.5	85%	0.849	46%	0.455	S	S	*	.	H	α-helix	trans	-59.1	-25.8	-178.8	-82.1	-175.2	174.6	153.8	-1.3	112.1	R121 M125 A126	R121-R123 PolarHBondContact O-N 3.13Å; R123-M125 PolarHBondContact O-N 2.85Å; R123-A126 WeakPolarHBondContact O-CB 3.3Å; R123-A126 PolarHBondContact O-N 3.47Å; R123-A126 VanDerWaalsContact O-N 3.13Å
124	S	66.2	Low	66.3	Low	61 Å²	61	95.3 Å²	95.3	43%	0.427	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-28	174	86.7	0	0	0	0	112.5	D122 A126 C127 N128	D122-S124 PolarHBondContact O-N 3.21Å; D122-S124 VanDerWaalsContact O-N 3.1Å; D122-S124 WeakPolarHBondContact OD2-CB 3.14Å; D122-S124 PolarHBondContact OD2-OG 2.78Å; S124-A126 VanDerWaalsContact C-N 3.31Å; S124-A126 PolarHBondContact O-N 2.94Å; S124-C127 PolarHBondContact O-N 3.4Å; S124-N128 PolarHBondContact O-N 2.48Å; S124-N128 PolarHBondContact O-ND2 3.21Å; S124-N128 VanDerWaalsContact O-ND2 3.11Å
125	M	61.9	Low	65.6	Low	98 Å²	98	94.5 Å²	94.5	48%	0.483	46%	0.463	S	S	.	.	H	α-helix	trans	-70.3	-26.8	175.2	-68.9	-147.5	-172.4	0	0	112.3	D122 R123 C127 N128 F129	D122-M125 HydrophobicContact CB-CG 4.5Å; D122-M125 VanDerWaalsContact O-CB 3.3Å; D122-M125 WeakPolarHBondContact O-CB 3.34Å; D122-M125 PolarHBondContact O-N 3.47Å; R123-M125 PolarHBondContact O-N 2.85Å; M125-C127 VanDerWaalsContact C-N 3.3Å; M125-C127 PolarHBondContact O-N 3.43Å; M125-N128 CarbonylContact O-C 3.39Å; M125-N128 PolarHBondContact O-N 3.11Å; M125-F129 WeakPolarHBondContact O-CA 3.43Å; M125-F129 WeakPolarHBondContact O-CB 3.33Å; M125-F129 PolarHBondContact O-N 3.41Å
126	A	62.3	Low	64.8	Low	34 Å²	34	100.7 Å²	100.7	28%	0.281	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-40.3	176.1	0	0	0	0	0	111.5	L116 R123 S124	L116-A126 HydrophobicContact CD2-CB 3.87Å; R123-A126 WeakPolarHBondContact O-CB 3.3Å; R123-A126 PolarHBondContact O-N 3.47Å; R123-A126 VanDerWaalsContact O-N 3.13Å; S124-A126 VanDerWaalsContact C-N 3.31Å; S124-A126 PolarHBondContact O-N 2.94Å
127	C	62.3	Low	64.2	Low	72 Å²	72	103.9 Å²	103.9	49%	0.486	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-37.4	175.2	-72.3	0	0	0	0	112.5	S124 M125	S124-C127 PolarHBondContact O-N 3.4Å; M125-C127 VanDerWaalsContact C-N 3.3Å; M125-C127 PolarHBondContact O-N 3.43Å
128	N	61.8	Low	63.2	Low	64 Å²	64	103.9 Å²	103.9	34%	0.342	51%	0.51	S	S	.	.	H	α-helix	trans	-88.8	-9.2	-178.5	-68.6	-56.4	0	0	0	113.7	S124 M125 F130 I131 R132	S124-N128 PolarHBondContact O-N 2.48Å; S124-N128 PolarHBondContact O-ND2 3.21Å; S124-N128 VanDerWaalsContact O-ND2 3.11Å; M125-N128 CarbonylContact O-C 3.39Å; M125-N128 PolarHBondContact O-N 3.11Å; N128-F130 PolarHBondContact O-N 3.06Å; N128-I131 PolarHBondContact O-N 3.02Å; N128-R132 WeakPolarHBondContact O-CB 3.4Å; N128-R132 PolarHBondContact O-N 3.42Å
129	F	64.6	Low	62.4	Low	14 Å²	14	105.5 Å²	105.5	6%	0.061	52%	0.522	C	S	.	.	H	α-helix	trans	-58.9	-50.2	-173.2	-177.3	-90.9	0	0	0	111.3	L112 V115 L116 M125 H133	L112-F129 HydrophobicContact CD2-CD1 4.09Å; L112-F129 HydrophobicContact CD2-CE1 3.4Å; L112-F129 VanDerWaalsContact CD2-CE1 3.4Å; L112-F129 HydrophobicContact CD2-CZ 4.2Å; V115-F129 HydrophobicContact CG1-CD2 4.32Å; V115-F129 HydrophobicContact CG1-CE2 3.78Å; V115-F129 HydrophobicContact CG1-CZ 4.25Å; L116-F129 HydrophobicContact CD2-CB 4.05Å; L116-F129 HydrophobicContact CD2-CD1 4.46Å; L116-F129 HydrophobicContact CD2-CG 4.18Å; M125-F129 WeakPolarHBondContact O-CA 3.43Å; M125-F129 WeakPolarHBondContact O-CB 3.33Å; M125-F129 PolarHBondContact O-N 3.41Å; F129-H133 AromaticContact CD2-CE1 3.79Å; F129-H133 AromaticContact CD2-ND1 3.72Å; F129-H133 AromaticContact CE2-CE1 3.76Å; F129-H133 AromaticContact CE2-ND1 3.79Å; F129-H133 WeakPolarHBondContact O-CB 3.14Å; F129-H133 PolarHBondContact O-N 3.23Å; F129-H133 PolarHBondContact O-ND1 2.92Å
130	F	59.7	Low	61.6	Low	60 Å²	60	105.2 Å²	105.2	26%	0.263	51%	0.514	S	S	.	.	H	α-helix	trans	-67.8	-36.9	179.6	-66.6	-76.1	0	0	0	112.2	L112 L116 N128 W134 G135 F209	L112-F130 HydrophobicContact CD2-CE1 4.01Å; L112-F130 HydrophobicContact CD2-CZ 4.25Å; L116-F130 HydrophobicContact CD1-CE2 4.07Å; L116-F130 HydrophobicContact CD1-CZ 4.12Å; N128-F130 PolarHBondContact O-N 3.06Å; F130-W134 CarbonylContact O-C 3.53Å; F130-W134 WeakPolarHBondContact O-CA 3.35Å; F130-W134 VanDerWaalsContact O-CB 3.29Å; F130-W134 WeakPolarHBondContact O-CB 3.29Å; F130-W134 PolarHBondContact O-N 2.95Å; F130-G135 PolarHBondContact O-N 3.41Å; F130-F209 HydrophobicContact CE1-CZ 4.44Å
131	I	61.4	Low	60.5	Low	82 Å²	82	100.6 Å²	100.6	42%	0.421	51%	0.506	S	S	.	.	I	π-helix	trans	-66.5	-47.4	179.8	-59.4	174.7	0	0	0	110.1	N128 G135 E136	N128-I131 PolarHBondContact O-N 3.02Å; I131-G135 CarbonylContact O-C 3.49Å; I131-G135 WeakPolarHBondContact O-CA 3.48Å; I131-G135 PolarHBondContact O-N 2.9Å; I131-E136 PolarHBondContact O-N 3.34Å
132	R	62.4	Low	60	Low	166 Å²	166	98.7 Å²	98.7	63%	0.626	52%	0.516	S	S	*	.	I	π-helix	trans	-73.4	-37.4	-177.5	-75.2	-176.5	172.9	167.9	-1.9	114.2	N128	N128-R132 WeakPolarHBondContact O-CB 3.4Å; N128-R132 PolarHBondContact O-N 3.42Å
133	H	59.6	Low	59.6	Low	123 Å²	123	103.1 Å²	103.1	57%	0.569	53%	0.534	S	S	*	.	I	π-helix	trans	-96.2	-19	-174.2	-62.1	83.7	0	0	0	113.2	F129	F129-H133 AromaticContact CD2-CE1 3.79Å; F129-H133 AromaticContact CD2-ND1 3.72Å; F129-H133 AromaticContact CE2-CE1 3.76Å; F129-H133 AromaticContact CE2-ND1 3.79Å; F129-H133 WeakPolarHBondContact O-CB 3.14Å; F129-H133 PolarHBondContact O-N 3.23Å; F129-H133 PolarHBondContact O-ND1 2.92Å
134	W	62.7	Low	59.5	Low	107 Å²	107	97.3 Å²	97.3	41%	0.405	52%	0.518	S	S	.	.	I	π-helix	trans	-130.9	-17	-175.4	-57.8	55.8	0	0	0	112.9	F130 F138	F130-W134 CarbonylContact O-C 3.53Å; F130-W134 WeakPolarHBondContact O-CA 3.35Å; F130-W134 VanDerWaalsContact O-CB 3.29Å; F130-W134 WeakPolarHBondContact O-CB 3.29Å; F130-W134 PolarHBondContact O-N 2.95Å; W134-F138 WeakPolarHBondContact O-CB 3.32Å
135	G	56.5	Low	59.6	Low	39 Å²	39	99.1 Å²	99.1	40%	0.402	53%	0.529	S	S	.	.	I	π-helix	trans	-100.9	-18.8	-165	0	0	0	0	0	116.5	F130 I131	F130-G135 PolarHBondContact O-N 3.41Å; I131-G135 CarbonylContact O-C 3.49Å; I131-G135 WeakPolarHBondContact O-CA 3.48Å; I131-G135 PolarHBondContact O-N 2.9Å
136	E	52.2	Low	59.6	Low	165 Å²	165	100.2 Å²	100.2	77%	0.771	54%	0.543	S	S	*	.	S	Bend	trans	-82.1	-32.4	176.2	-93.6	-176.1	168.7	0	0	113.3	I131	I131-E136 PolarHBondContact O-N 3.34Å
137	S	54.2	Low	59.5	Low	119 Å²	119	104.5 Å²	104.5	83%	0.832	56%	0.561	S	S	*	*	S	Bend	trans	-87.9	-5.5	176.1	-45.8	0	0	0	0	113.4	V139	S137-V139 VanDerWaalsContact C-N 3.32Å; S137-V139 PolarHBondContact O-N 2.68Å; S137-V139 VanDerWaalsContact O-N 3.11Å
138	F	53.3	Low	59.5	Low	121 Å²	121	110.3 Å²	110.3	53%	0.531	57%	0.574	S	S	.	*			trans	-88.5	75.1	-179.2	-140.2	-88.5	0	0	0	109.7	W134	W134-F138 WeakPolarHBondContact O-CB 3.32Å
139	V	56.3	Low	59.5	Low	88 Å²	88	114.6 Å²	114.6	53%	0.533	59%	0.591	S	S	.	*			trans	-107.1	121.9	170	-152.6	0	0	0	0	107.3	S137 N141	S137-V139 VanDerWaalsContact C-N 3.32Å; S137-V139 PolarHBondContact O-N 2.68Å; S137-V139 VanDerWaalsContact O-N 3.11Å; V139-N141 HydrophobicContact CB-CB 4.48Å; V139-N141 HydrophobicContact CG1-CB 4.44Å; V139-N141 WeakPolarHBondContact CG1-ND2 3.48Å; V139-N141 WeakPolarHBondContact CG1-OD1 3.48Å; V139-N141 PolarHBondContact O-N 3.29Å
140	D	55.9	Low	59.3	Low	121 Å²	121	117.9 Å²	117.9	65%	0.647	61%	0.612	S	S	*	*			trans	-69.1	56.2	175	-86.2	-24.9	0	0	0	110.6
141	N	56.7	Low	59.3	Low	135 Å²	135	125.9 Å²	125.9	72%	0.722	64%	0.641	S	S	*	*			trans	-102.5	-1	-174.4	-73.7	-11.5	0	0	0	113.5	V139	V139-N141 HydrophobicContact CB-CB 4.48Å; V139-N141 HydrophobicContact CG1-CB 4.44Å; V139-N141 WeakPolarHBondContact CG1-ND2 3.48Å; V139-N141 WeakPolarHBondContact CG1-OD1 3.48Å; V139-N141 PolarHBondContact O-N 3.29Å
142	A	57.3	Low	59.2	Low	79 Å²	79	129.9 Å²	129.9	65%	0.653	66%	0.663	S	S	*	*	S	Bend	trans	-96.8	109.6	174.5	0	0	0	0	0	108.9	I144	A142-I144 PolarHBondContact O-N 3.24Å
143	E	58.1	Low	59.4	Low	193 Å²	193	125.2 Å²	125.2	90%	0.902	65%	0.653	S	S	*	*			trans	-57.6	104.7	162.3	-171.7	173.7	-172.3	0	0	107.4	P145	E143-P145 VanDerWaalsContact O-CD 3.25Å; E143-P145 WeakPolarHBondContact O-CD 3.37Å
144	I	64	Low	60.2	Low	103 Å²	103	122.3 Å²	122.3	53%	0.528	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-70.1	118.4	-175.4	-56	170.6	0	0	0	107.1	A142 L221	A142-I144 PolarHBondContact O-N 3.24Å; I144-L221 HydrophobicContact CD1-CD2 3.94Å
145	P	68	Low	60.7	Low	99 Å²	99	123.2 Å²	123.2	64%	0.643	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-57.6	138.2	176.3	-23.5	34	0	0	0	110.1	E143 L147	E143-P145 VanDerWaalsContact O-CD 3.25Å; E143-P145 WeakPolarHBondContact O-CD 3.37Å; P145-L147 PolarHBondContact O-N 2.98Å; P145-L147 VanDerWaalsContact O-N 3.08Å
146	P	61.8	Low	61.7	Low	121 Å²	121	128.6 Å²	128.6	79%	0.786	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-56.9	120.8	178.8	20.8	-30.4	0	0	0	110	Y148	P146-Y148 PolarHBondContact O-N 3.28Å
147	L	61	Low	62.7	Low	124 Å²	124	124.4 Å²	124.4	65%	0.649	65%	0.648	S	S	*	*			trans	-73.8	95.9	-179.9	-71.2	168.6	0	0	0	109.8	P145 H149 V150	P145-L147 PolarHBondContact O-N 2.98Å; P145-L147 VanDerWaalsContact O-N 3.08Å; L147-H149 PolarHBondContact O-N 2.98Å; L147-V150 HydrophobicContact CB-CB 4.18Å; L147-V150 HydrophobicContact CB-CG2 3.82Å; L147-V150 HydrophobicContact CD1-CG2 3.99Å; L147-V150 HydrophobicContact CG-CG2 4.47Å; L147-V150 PolarHBondContact O-N 3.09Å
148	Y	63.2	Low	63.7	Low	194 Å²	194	120.3 Å²	120.3	76%	0.761	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-17.4	179.7	53.7	-79.5	0	0	0	114.2	P146	P146-Y148 PolarHBondContact O-N 3.28Å
149	H	61.7	Low	64.7	Low	153 Å²	153	118.9 Å²	118.9	71%	0.708	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-6.7	179.9	-67	-47.4	0	0	0	114.7	L147	L147-H149 PolarHBondContact O-N 2.98Å
150	V	60.2	Low	65.6	Low	84 Å²	84	119.1 Å²	119.1	51%	0.509	61%	0.608	S	S	.	*	S	Bend	trans	-93.8	118.5	178.7	178.7	0	0	0	0	108.1	L147 N152	L147-V150 HydrophobicContact CB-CB 4.18Å; L147-V150 HydrophobicContact CB-CG2 3.82Å; L147-V150 HydrophobicContact CD1-CG2 3.99Å; L147-V150 HydrophobicContact CG-CG2 4.47Å; L147-V150 PolarHBondContact O-N 3.09Å; V150-N152 PolarHBondContact O-N 3.35Å
151	R	59.7	Low	66.3	Low	227 Å²	227	118.7 Å²	118.7	86%	0.857	60%	0.599	S	S	*	*			trans	-54.4	130.2	171	-72.1	-172.8	-134.7	-161.4	2	108.6	V153	R151-V153 WeakPolarHBondContact O-CG2 3.22Å; R151-V153 PolarHBondContact O-N 3.48Å
152	N	58.8	Low	67.1	Low	167 Å²	167	115.7 Å²	115.7	89%	0.893	58%	0.582	S	S	*	*			trans	-55.6	104	170.3	-86.9	-25.3	0	0	0	109.4	V150 S154	V150-N152 PolarHBondContact O-N 3.35Å; N152-S154 PolarHBondContact O-N 3.07Å; N152-S154 VanDerWaalsContact O-N 3.13Å
153	V	66	Low	67.9	Low	68 Å²	68	115.3 Å²	115.3	41%	0.412	57%	0.571	S	S	.	*			trans	-76.8	103.1	178.4	-177.2	0	0	0	0	107.3	R151 T157 R222	R151-V153 WeakPolarHBondContact O-CG2 3.22Å; R151-V153 PolarHBondContact O-N 3.48Å; V153-T157 HydrophobicContact CG1-CG2 4.03Å; V153-R222 PolarHBondContact O-NH2 2.79Å
154	S	76.7	Confident	68.6	Low	61 Å²	61	115.2 Å²	115.2	43%	0.427	56%	0.563	S	S	.	*			trans	-61.6	151.4	171.4	70.6	0	0	0	0	110.5	N152 K156 T157 F158	N152-S154 PolarHBondContact O-N 3.07Å; N152-S154 VanDerWaalsContact O-N 3.13Å; S154-K156 PolarHBondContact O-N 3.4Å; S154-T157 WeakPolarHBondContact O-CB 3.38Å; S154-T157 PolarHBondContact O-N 3.43Å; S154-T157 PolarHBondContact OG-N 3.5Å; S154-T157 PolarHBondContact OG-OG1 3.47Å; S154-T157 VanDerWaalsContact OG-OG1 3.13Å; S154-F158 PolarHBondContact O-N 3.17Å
155	W	73.8	Confident	68.6	Low	127 Å²	127	113.1 Å²	113.1	48%	0.481	56%	0.555	S	S	.	*	H	α-helix	trans	-54.3	-36.7	176.9	-174.2	-105.1	0	0	0	112.3	T157 F158 E159	W155-T157 VanDerWaalsContact C-N 3.34Å; W155-T157 PolarHBondContact O-N 2.81Å; W155-F158 HydrophobicContact CD2-CD1 4.41Å; W155-F158 AromaticContact CE3-CD1 3.95Å; W155-F158 HydrophobicContact CE3-CD1 3.95Å; W155-F158 HydrophobicContact CE3-CE1 4.49Å; W155-F158 AromaticContact CH2-CD1 3.87Å; W155-F158 HydrophobicContact CH2-CD1 3.87Å; W155-F158 AromaticContact CH2-CE1 3.71Å; W155-F158 HydrophobicContact CH2-CE1 3.71Å; W155-F158 HydrophobicContact CZ2-CD1 4.31Å; W155-F158 HydrophobicContact CZ2-CE1 4.4Å; W155-F158 AromaticContact CZ3-CD1 3.67Å; W155-F158 HydrophobicContact CZ3-CD1 3.67Å; W155-F158 AromaticContact CZ3-CE1 3.76Å; W155-F158 HydrophobicContact CZ3-CE1 3.76Å; W155-F158 CarbonylContact O-C 3.59Å; W155-F158 WeakPolarHBondContact O-CA 3.28Å; W155-F158 VanDerWaalsContact O-CB 3.31Å; W155-F158 WeakPolarHBondContact O-CB 3.32Å; W155-F158 PolarHBondContact O-N 3.37Å; W155-F158 VanDerWaalsContact O-N 3.08Å; W155-E159 VanDerWaalsContact NE1-CD 3.29Å; W155-E159 PolarHBondContact NE1-OE1 2.82Å; W155-E159 PolarHBondContact O-N 3.12Å
156	K	76.3	Confident	68.1	Low	151 Å²	151	110.9 Å²	110.9	66%	0.657	54%	0.544	S	S	*	.	H	α-helix	trans	-62.2	-37.6	176.9	-163.4	170	-174.7	174	0	113.2	S154 F158 E159 N160	S154-K156 PolarHBondContact O-N 3.4Å; K156-F158 VanDerWaalsContact C-N 3.3Å; K156-E159 PolarHBondContact O-N 3.11Å; K156-N160 WeakPolarHBondContact O-CB 3.36Å; K156-N160 VanDerWaalsContact O-CG 3.22Å; K156-N160 PolarHBondContact O-N 3.25Å; K156-N160 PolarHBondContact O-ND2 2.93Å
157	T	74.5	Confident	68	Low	78 Å²	78	112.1 Å²	112.1	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-37.1	174.4	-58.2	0	0	0	0	111.2	V153 S154 W155 Y161	V153-T157 HydrophobicContact CG1-CG2 4.03Å; S154-T157 WeakPolarHBondContact O-CB 3.38Å; S154-T157 PolarHBondContact O-N 3.43Å; S154-T157 PolarHBondContact OG-N 3.5Å; S154-T157 PolarHBondContact OG-OG1 3.47Å; S154-T157 VanDerWaalsContact OG-OG1 3.13Å; W155-T157 VanDerWaalsContact C-N 3.34Å; W155-T157 PolarHBondContact O-N 2.81Å; T157-Y161 PolarHBondContact O-N 2.74Å
158	F	73.4	Confident	67.7	Low	32 Å²	32	112.4 Å²	112.4	14%	0.14	55%	0.548	C	S	.	.	H	α-helix	trans	-68.7	-45.2	176.2	178.6	-102.4	0	0	0	112.2	S154 W155 K156 N160 Y161 I162 Y215	S154-F158 PolarHBondContact O-N 3.17Å; W155-F158 HydrophobicContact CD2-CD1 4.41Å; W155-F158 AromaticContact CE3-CD1 3.95Å; W155-F158 HydrophobicContact CE3-CD1 3.95Å; W155-F158 HydrophobicContact CE3-CE1 4.49Å; W155-F158 AromaticContact CH2-CD1 3.87Å; W155-F158 HydrophobicContact CH2-CD1 3.87Å; W155-F158 AromaticContact CH2-CE1 3.71Å; W155-F158 HydrophobicContact CH2-CE1 3.71Å; W155-F158 HydrophobicContact CZ2-CD1 4.31Å; W155-F158 HydrophobicContact CZ2-CE1 4.4Å; W155-F158 AromaticContact CZ3-CD1 3.67Å; W155-F158 HydrophobicContact CZ3-CD1 3.67Å; W155-F158 AromaticContact CZ3-CE1 3.76Å; W155-F158 HydrophobicContact CZ3-CE1 3.76Å; W155-F158 CarbonylContact O-C 3.59Å; W155-F158 WeakPolarHBondContact O-CA 3.28Å; W155-F158 VanDerWaalsContact O-CB 3.31Å; W155-F158 WeakPolarHBondContact O-CB 3.32Å; W155-F158 PolarHBondContact O-N 3.37Å; W155-F158 VanDerWaalsContact O-N 3.08Å; K156-F158 VanDerWaalsContact C-N 3.3Å; F158-N160 VanDerWaalsContact C-N 3.3Å; F158-N160 PolarHBondContact O-N 3.02Å; F158-Y161 WeakPolarHBondContact O-CB 3.34Å; F158-Y161 PolarHBondContact O-N 3.29Å; F158-Y161 VanDerWaalsContact O-N 3.1Å; F158-I162 HydrophobicContact CD1-CD1 3.85Å; F158-I162 HydrophobicContact CD1-CG1 4.46Å; F158-I162 HydrophobicContact CE1-CD1 3.27Å; F158-I162 HydrophobicContact CE1-CG1 4.18Å; F158-I162 HydrophobicContact CE2-CD1 4.39Å; F158-I162 HydrophobicContact CZ-CD1 3.6Å; F158-I162 HydrophobicContact CZ-CG1 4.27Å; F158-I162 PolarHBondContact O-N 2.9Å; F158-Y215 HydrophobicContact CD2-CE1 4.31Å; F158-Y215 AromaticContact CE2-CD1 3.74Å; F158-Y215 HydrophobicContact CE2-CD1 3.74Å; F158-Y215 AromaticContact CE2-CE1 3.14Å; F158-Y215 HydrophobicContact CE2-CE1 3.14Å; F158-Y215 AromaticContact CE2-CZ 3.82Å; F158-Y215 AromaticContact CZ-CD1 3.64Å; F158-Y215 HydrophobicContact CZ-CD1 3.64Å; F158-Y215 AromaticContact CZ-CE1 3.31Å; F158-Y215 HydrophobicContact CZ-CE1 3.31Å
159	E	74.3	Confident	66.9	Low	92 Å²	92	104.3 Å²	104.3	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-58.9	-41.5	173.1	-73.2	-178.7	156.7	0	0	111.8	W155 K156 Y161 I162 T163	W155-E159 VanDerWaalsContact NE1-CD 3.29Å; W155-E159 PolarHBondContact NE1-OE1 2.82Å; W155-E159 PolarHBondContact O-N 3.12Å; K156-E159 PolarHBondContact O-N 3.11Å; E159-Y161 VanDerWaalsContact C-N 3.34Å; E159-Y161 PolarHBondContact O-N 2.74Å; E159-I162 PolarHBondContact O-N 2.99Å; E159-T163 WeakPolarHBondContact O-CB 3.37Å; E159-T163 PolarHBondContact O-N 3.41Å; E159-T163 PolarHBondContact O-OG1 3.34Å
160	N	75.4	Confident	66.1	Low	92 Å²	92	99.7 Å²	99.7	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-40.1	173.9	-74.9	-24	0	0	0	112.1	K156 F158 T163 R164	K156-N160 WeakPolarHBondContact O-CB 3.36Å; K156-N160 VanDerWaalsContact O-CG 3.22Å; K156-N160 PolarHBondContact O-N 3.25Å; K156-N160 PolarHBondContact O-ND2 2.93Å; F158-N160 VanDerWaalsContact C-N 3.3Å; F158-N160 PolarHBondContact O-N 3.02Å; N160-T163 PolarHBondContact O-N 2.95Å; N160-R164 WeakPolarHBondContact O-CB 3.34Å; N160-R164 WeakPolarHBondContact O-CG 3.08Å; N160-R164 PolarHBondContact O-N 3.42Å
161	Y	71.5	Confident	65.5	Low	113 Å²	113	101.4 Å²	101.4	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-47.3	174.8	176.8	-85.6	0	0	0	111.1	T157 F158 E159 T163 R164 V165 Y215	T157-Y161 PolarHBondContact O-N 2.74Å; F158-Y161 WeakPolarHBondContact O-CB 3.34Å; F158-Y161 PolarHBondContact O-N 3.29Å; F158-Y161 VanDerWaalsContact O-N 3.1Å; E159-Y161 VanDerWaalsContact C-N 3.34Å; E159-Y161 PolarHBondContact O-N 2.74Å; Y161-T163 VanDerWaalsContact C-N 3.29Å; Y161-T163 PolarHBondContact O-N 3.02Å; Y161-R164 PolarHBondContact O-N 2.8Å; Y161-V165 HydrophobicContact CD1-CG2 3.88Å; Y161-V165 HydrophobicContact CD2-CG2 4.45Å; Y161-V165 HydrophobicContact CE1-CB 4.36Å; Y161-V165 HydrophobicContact CE1-CG2 3.32Å; Y161-V165 HydrophobicContact CE2-CG2 4.01Å; Y161-V165 HydrophobicContact CG-CG2 4.42Å; Y161-V165 VanDerWaalsContact CZ-CG2 3.44Å; Y161-V165 WeakPolarHBondContact O-CB 3.31Å; Y161-V165 WeakPolarHBondContact O-CG2 3.33Å; Y161-V165 PolarHBondContact O-N 3.05Å; Y161-Y215 WeakPolarHBondContact CD1-OH 3.4Å; Y161-Y215 HydrophobicContact CE1-CE2 4.47Å; Y161-Y215 AromaticContact CE1-CZ 3.93Å; Y161-Y215 WeakPolarHBondContact CE1-OH 3.38Å
162	I	74.2	Confident	64.7	Low	72 Å²	72	93.4 Å²	93.4	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-58.6	-44.7	176.5	-72	-178.1	0	0	0	110.1	F158 E159 V165 A166 Y215	F158-I162 HydrophobicContact CD1-CD1 3.85Å; F158-I162 HydrophobicContact CD1-CG1 4.46Å; F158-I162 HydrophobicContact CE1-CD1 3.27Å; F158-I162 HydrophobicContact CE1-CG1 4.18Å; F158-I162 HydrophobicContact CE2-CD1 4.39Å; F158-I162 HydrophobicContact CZ-CD1 3.6Å; F158-I162 HydrophobicContact CZ-CG1 4.27Å; F158-I162 PolarHBondContact O-N 2.9Å; E159-I162 PolarHBondContact O-N 2.99Å; I162-V165 PolarHBondContact O-N 3.37Å; I162-A166 WeakPolarHBondContact O-CB 3.31Å; I162-A166 PolarHBondContact O-N 3.43Å; I162-Y215 HydrophobicContact CG1-CE1 4.47Å
163	T	73.5	Confident	63.9	Low	71 Å²	71	95.7 Å²	95.7	44%	0.436	50%	0.498	S	S	.	.	H	α-helix	trans	-64	-42.5	179.1	-52.4	0	0	0	0	111.1	E159 N160 Y161 A166 M167	E159-T163 WeakPolarHBondContact O-CB 3.37Å; E159-T163 PolarHBondContact O-N 3.41Å; E159-T163 PolarHBondContact O-OG1 3.34Å; N160-T163 PolarHBondContact O-N 2.95Å; Y161-T163 VanDerWaalsContact C-N 3.29Å; Y161-T163 PolarHBondContact O-N 3.02Å; T163-A166 WeakPolarHBondContact O-CB 3.27Å; T163-A166 PolarHBondContact O-N 3.29Å; T163-M167 HydrophobicContact CG2-CE 4.15Å; T163-M167 WeakPolarHBondContact O-CG 3.41Å; T163-M167 PolarHBondContact O-N 3.45Å
164	R	71.7	Confident	62.8	Low	191 Å²	191	104.2 Å²	104.2	72%	0.721	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-46.3	174	-80.6	-177.8	174.4	-162.4	-1.5	112.1	N160 Y161 A166 M167 V168	N160-R164 WeakPolarHBondContact O-CB 3.34Å; N160-R164 WeakPolarHBondContact O-CG 3.08Å; N160-R164 PolarHBondContact O-N 3.42Å; Y161-R164 PolarHBondContact O-N 2.8Å; R164-A166 VanDerWaalsContact C-N 3.34Å; R164-M167 PolarHBondContact O-N 3.16Å; R164-V168 WeakPolarHBondContact O-CG2 3.49Å; R164-V168 PolarHBondContact O-N 3.49Å
165	V	64.8	Low	61.4	Low	59 Å²	59	104.3 Å²	104.3	36%	0.358	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-44.7	176.2	172.1	0	0	0	0	109.6	Y161 I162 M167 V168 S169	Y161-V165 HydrophobicContact CD1-CG2 3.88Å; Y161-V165 HydrophobicContact CD2-CG2 4.45Å; Y161-V165 HydrophobicContact CE1-CB 4.36Å; Y161-V165 HydrophobicContact CE1-CG2 3.32Å; Y161-V165 HydrophobicContact CE2-CG2 4.01Å; Y161-V165 HydrophobicContact CG-CG2 4.42Å; Y161-V165 VanDerWaalsContact CZ-CG2 3.44Å; Y161-V165 WeakPolarHBondContact O-CB 3.31Å; Y161-V165 WeakPolarHBondContact O-CG2 3.33Å; Y161-V165 PolarHBondContact O-N 3.05Å; I162-V165 PolarHBondContact O-N 3.37Å; V165-M167 VanDerWaalsContact C-N 3.31Å; V165-M167 PolarHBondContact O-N 3.15Å; V165-V168 CarbonylContact O-C 3.49Å; V165-V168 PolarHBondContact O-N 3.25Å; V165-V168 VanDerWaalsContact O-N 3.15Å; V165-S169 WeakPolarHBondContact O-CA 3.14Å; V165-S169 VanDerWaalsContact O-CB 3.23Å; V165-S169 WeakPolarHBondContact O-CB 3.17Å; V165-S169 PolarHBondContact O-N 3.35Å; V165-S169 PolarHBondContact O-OG 3.34Å
166	A	58.5	Low	60.1	Low	51 Å²	51	101.3 Å²	101.3	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-56.9	-40.2	176.3	0	0	0	0	0	112.3	I162 T163 R164 S169 G170	I162-A166 WeakPolarHBondContact O-CB 3.31Å; I162-A166 PolarHBondContact O-N 3.43Å; T163-A166 WeakPolarHBondContact O-CB 3.27Å; T163-A166 PolarHBondContact O-N 3.29Å; R164-A166 VanDerWaalsContact C-N 3.34Å; A166-S169 WeakPolarHBondContact CA-OG 3.37Å; A166-S169 PolarHBondContact N-OG 2.88Å; A166-S169 CarbonylContact O-C 3.23Å; A166-S169 VanDerWaalsContact O-C 3.23Å; A166-S169 PolarHBondContact O-N 2.78Å; A166-S169 PolarHBondContact O-OG 2.82Å; A166-G170 PolarHBondContact O-N 3.08Å; A166-G170 VanDerWaalsContact O-N 3.09Å
167	M	58.4	Low	58.7	Low	148 Å²	148	99 Å²	99	73%	0.729	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-45.8	174.1	-73.9	179.7	175	0	0	112	T163 R164 V165 S169 G170	T163-M167 HydrophobicContact CG2-CE 4.15Å; T163-M167 WeakPolarHBondContact O-CG 3.41Å; T163-M167 PolarHBondContact O-N 3.45Å; R164-M167 PolarHBondContact O-N 3.16Å; V165-M167 VanDerWaalsContact C-N 3.31Å; V165-M167 PolarHBondContact O-N 3.15Å; M167-S169 PolarHBondContact O-N 3.49Å; M167-G170 PolarHBondContact O-N 3.4Å
168	V	54.7	Low	57.5	Low	129 Å²	129	102.8 Å²	102.8	78%	0.782	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-26.5	174.1	176.9	0	0	0	0	111.3	R164 V165	R164-V168 WeakPolarHBondContact O-CG2 3.49Å; R164-V168 PolarHBondContact O-N 3.49Å; V165-V168 CarbonylContact O-C 3.49Å; V165-V168 PolarHBondContact O-N 3.25Å; V165-V168 VanDerWaalsContact O-N 3.15Å
169	S	47.6	Very low	56.2	Low	24 Å²	24	104 Å²	104	17%	0.168	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-97.1	21.8	178.2	50.4	0	0	0	0	113.9	V165 A166 M167 C171 L172 R173	V165-S169 WeakPolarHBondContact O-CA 3.14Å; V165-S169 VanDerWaalsContact O-CB 3.23Å; V165-S169 WeakPolarHBondContact O-CB 3.17Å; V165-S169 PolarHBondContact O-N 3.35Å; V165-S169 PolarHBondContact O-OG 3.34Å; A166-S169 WeakPolarHBondContact CA-OG 3.37Å; A166-S169 PolarHBondContact N-OG 2.88Å; A166-S169 CarbonylContact O-C 3.23Å; A166-S169 VanDerWaalsContact O-C 3.23Å; A166-S169 PolarHBondContact O-N 2.78Å; A166-S169 PolarHBondContact O-OG 2.82Å; M167-S169 PolarHBondContact O-N 3.49Å; S169-C171 PolarHBondContact O-N 2.84Å; S169-C171 VanDerWaalsContact O-N 3.09Å; S169-L172 CarbonylContact O-C 3.58Å; S169-L172 WeakPolarHBondContact O-CA 3.43Å; S169-L172 PolarHBondContact O-N 2.76Å; S169-R173 PolarHBondContact O-N 3.09Å
170	G	44.3	Very low	55.1	Low	56 Å²	56	100.8 Å²	100.8	58%	0.577	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-50.1	-31.8	162.3	0	0	0	0	0	112.4	A166 M167	A166-G170 PolarHBondContact O-N 3.08Å; A166-G170 VanDerWaalsContact O-N 3.09Å; M167-G170 PolarHBondContact O-N 3.4Å
171	C	47.9	Very low	53.9	Low	120 Å²	120	100.7 Å²	100.7	81%	0.811	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-80.6	-21.1	170.1	-75.5	0	0	0	0	115	S169	S169-C171 PolarHBondContact O-N 2.84Å; S169-C171 VanDerWaalsContact O-N 3.09Å
172	L	43	Very low	52.6	Low	60 Å²	60	102 Å²	102	31%	0.314	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-0	-178.2	-103.2	130.3	0	0	0	112.7	S169 R174 I175 F176	S169-L172 CarbonylContact O-C 3.58Å; S169-L172 WeakPolarHBondContact O-CA 3.43Å; S169-L172 PolarHBondContact O-N 2.76Å; L172-R174 PolarHBondContact O-N 3.29Å; L172-I175 HydrophobicContact CD2-CB 4.08Å; L172-I175 HydrophobicContact CD2-CD1 4.25Å; L172-I175 HydrophobicContact CD2-CG2 3.95Å; L172-I175 HydrophobicContact CG-CD1 4.23Å; L172-I175 CarbonylContact O-C 3.51Å; L172-I175 WeakPolarHBondContact O-CA 3.49Å; L172-I175 WeakPolarHBondContact O-CB 3.24Å; L172-I175 PolarHBondContact O-N 3.09Å; L172-F176 HydrophobicContact CD2-CD2 3.58Å; L172-F176 HydrophobicContact CD2-CE2 3.55Å; L172-F176 PolarHBondContact O-N 2.94Å
173	R	42.1	Very low	51.2	Low	214 Å²	214	104.3 Å²	104.3	81%	0.808	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.5	175.3	-155.8	172.8	-165.1	-149.2	2.4	113.5	S169 I175	S169-R173 PolarHBondContact O-N 3.09Å; R173-I175 VanDerWaalsContact C-N 3.27Å
174	R	41.6	Very low	50	Low	248 Å²	248	102.7 Å²	102.7	94%	0.936	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.1	167.4	-72	-173.7	177.2	176.4	0.4	113.4	L172	L172-R174 PolarHBondContact O-N 3.29Å
175	I	47.7	Very low	49	Very low	62 Å²	62	99 Å²	99	32%	0.318	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-46.7	-169.6	-65.5	174.5	0	0	0	109.7	L172 R173 N177 Y203 K208	L172-I175 HydrophobicContact CD2-CB 4.08Å; L172-I175 HydrophobicContact CD2-CD1 4.25Å; L172-I175 HydrophobicContact CD2-CG2 3.95Å; L172-I175 HydrophobicContact CG-CD1 4.23Å; L172-I175 CarbonylContact O-C 3.51Å; L172-I175 WeakPolarHBondContact O-CA 3.49Å; L172-I175 WeakPolarHBondContact O-CB 3.24Å; L172-I175 PolarHBondContact O-N 3.09Å; R173-I175 VanDerWaalsContact C-N 3.27Å; I175-N177 PolarHBondContact O-N 3.34Å; I175-Y203 HydrophobicContact CG2-CD1 4.35Å; I175-Y203 HydrophobicContact CG2-CE1 3.91Å; I175-Y203 WeakPolarHBondContact O-CE1 3.32Å; I175-Y203 VanDerWaalsContact O-CZ 3.28Å; I175-Y203 PolarHBondContact O-OH 3.3Å; I175-K208 HydrophobicContact CG2-CD 3.82Å; I175-K208 VanDerWaalsContact CG2-CE 3.41Å
176	F	46	Very low	48.2	Very low	64 Å²	64	99.3 Å²	99.3	28%	0.281	51%	0.514	S	S	.	.	S	Bend	trans	-89.5	94.2	178.4	-84	-93.7	0	0	0	111.1	L172 F178 K208 I212	L172-F176 HydrophobicContact CD2-CD2 3.58Å; L172-F176 HydrophobicContact CD2-CE2 3.55Å; L172-F176 PolarHBondContact O-N 2.94Å; F176-F178 PolarHBondContact O-N 2.99Å; F176-K208 HydrophobicContact CE2-CD 4.16Å; F176-K208 HydrophobicContact CE2-CG 4.1Å; F176-K208 HydrophobicContact CZ-CB 4.14Å; F176-K208 HydrophobicContact CZ-CD 4.47Å; F176-K208 HydrophobicContact CZ-CG 4.15Å; F176-I212 HydrophobicContact CE1-CD1 3.88Å; F176-I212 HydrophobicContact CE1-CG1 4.12Å; F176-I212 HydrophobicContact CZ-CD1 4.27Å
177	N	48	Very low	47.4	Very low	104 Å²	104	101.8 Å²	101.8	56%	0.556	52%	0.517	S	S	*	.			trans	-64.1	107.1	172.2	-144.7	-43.2	0	0	0	108.9	I175 S179 I180 Y203	I175-N177 PolarHBondContact O-N 3.34Å; N177-S179 PolarHBondContact O-N 3.15Å; N177-I180 HydrophobicContact CB-CD1 4.25Å; N177-I180 HydrophobicContact CB-CG1 4.41Å; N177-I180 PolarHBondContact O-N 3.35Å; N177-Y203 PolarHBondContact N-OH 2.71Å
178	F	48.6	Very low	46.9	Very low	156 Å²	156	100.1 Å²	100.1	68%	0.684	52%	0.517	S	S	*	.	H	α-helix	trans	-55.1	-24.7	-175.5	-142.8	-96	0	0	0	112.3	F176 I180 L181 F182	F176-F178 PolarHBondContact O-N 2.99Å; F178-I180 PolarHBondContact O-N 2.52Å; F178-L181 PolarHBondContact O-N 3.24Å; F178-F182 PolarHBondContact O-N 3.34Å
179	S	47.5	Very low	46.3	Very low	59 Å²	59	101 Å²	101	41%	0.413	52%	0.516	S	S	.	.	H	α-helix	trans	-54.9	-34.5	172.4	-59.5	0	0	0	0	113	N177 L181 F182 F183	N177-S179 PolarHBondContact O-N 3.15Å; S179-L181 PolarHBondContact O-N 2.94Å; S179-F182 PolarHBondContact O-N 3.37Å; S179-F183 WeakPolarHBondContact O-CB 3.12Å; S179-F183 WeakPolarHBondContact O-CD2 3.23Å; S179-F183 PolarHBondContact O-N 3.04Å
180	I	50.6	Low	46.1	Very low	24 Å²	24	102.7 Å²	102.7	12%	0.123	52%	0.522	C	S	.	.	H	α-helix	trans	-73.3	-33.1	-174.1	-56.9	173.3	0	0	0	111.9	N177 F178 A184 V198 F199 Y203	N177-I180 HydrophobicContact CB-CD1 4.25Å; N177-I180 HydrophobicContact CB-CG1 4.41Å; N177-I180 PolarHBondContact O-N 3.35Å; F178-I180 PolarHBondContact O-N 2.52Å; I180-A184 PolarHBondContact O-N 3.39Å; I180-V198 HydrophobicContact CD1-CG1 4.49Å; I180-F199 HydrophobicContact CB-CZ 4.24Å; I180-F199 HydrophobicContact CG2-CD2 4.03Å; I180-F199 HydrophobicContact CG2-CE1 3.91Å; I180-F199 HydrophobicContact CG2-CE2 3.23Å; I180-F199 HydrophobicContact CG2-CZ 3.18Å; I180-Y203 HydrophobicContact CD1-CE2 3.7Å
181	L	49	Very low	46.5	Very low	89 Å²	89	103.2 Å²	103.2	47%	0.466	52%	0.518	S	S	.	.	H	α-helix	trans	-71.2	-39.1	170.3	-79.7	161.3	0	0	0	110.7	F178 S179 A184 F185	F178-L181 PolarHBondContact O-N 3.24Å; S179-L181 PolarHBondContact O-N 2.94Å; L181-A184 PolarHBondContact O-N 3.01Å; L181-F185 VanDerWaalsContact O-CD2 3.3Å; L181-F185 WeakPolarHBondContact O-CD2 3.34Å; L181-F185 PolarHBondContact O-N 3.32Å
182	F	44.4	Very low	46.7	Very low	142 Å²	142	103.6 Å²	103.6	62%	0.623	50%	0.503	S	S	*	.	H	α-helix	trans	-65.7	-41.8	178	-145.3	-95.2	0	0	0	112.3	F178 S179 A184 F185 S186	F178-F182 PolarHBondContact O-N 3.34Å; S179-F182 PolarHBondContact O-N 3.37Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 3.49Å; F182-F185 PolarHBondContact O-N 3.03Å; F182-F185 VanDerWaalsContact O-N 3.17Å; F182-S186 WeakPolarHBondContact O-CB 3.5Å; F182-S186 PolarHBondContact O-N 3.35Å; F182-S186 PolarHBondContact O-OG 3.43Å
183	F	44.5	Very low	47.2	Very low	120 Å²	120	104.5 Å²	104.5	53%	0.526	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-33.1	177.2	-92	-77.2	0	0	0	113.2	S179 F185	S179-F183 WeakPolarHBondContact O-CB 3.12Å; S179-F183 WeakPolarHBondContact O-CD2 3.23Å; S179-F183 PolarHBondContact O-N 3.04Å; F183-F185 VanDerWaalsContact C-N 3.31Å
184	A	49.1	Very low	47.6	Very low	36 Å²	36	97.7 Å²	97.7	30%	0.298	49%	0.485	S	S	.	.	H	α-helix	trans	-72.1	-23.6	176.2	0	0	0	0	0	113.5	I180 L181 F182 L195	I180-A184 PolarHBondContact O-N 3.39Å; L181-A184 PolarHBondContact O-N 3.01Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 3.49Å; A184-L195 HydrophobicContact CB-CD1 3.88Å; A184-L195 HydrophobicContact CB-CD2 4.02Å; A184-L195 HydrophobicContact CB-CG 4.47Å
185	F	49.8	Very low	48.1	Very low	113 Å²	113	87.3 Å²	87.3	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-96.9	-30.9	-179.5	-85.9	-94.6	0	0	0	113.3	L181 F182 F183 I219	L181-F185 VanDerWaalsContact O-CD2 3.3Å; L181-F185 WeakPolarHBondContact O-CD2 3.34Å; L181-F185 PolarHBondContact O-N 3.32Å; F182-F185 PolarHBondContact O-N 3.03Å; F182-F185 VanDerWaalsContact O-N 3.17Å; F183-F185 VanDerWaalsContact C-N 3.31Å; F185-I219 HydrophobicContact CE2-CD1 3.74Å; F185-I219 HydrophobicContact CZ-CD1 3.72Å; F185-I219 HydrophobicContact CZ-CG1 4.28Å
186	S	48.4	Very low	48.5	Very low	67 Å²	67	86.2 Å²	86.2	47%	0.469	45%	0.445	S	S	.	.	H	α-helix	trans	-89.4	-18	-174.7	-60.1	0	0	0	0	115.4	F182	F182-S186 WeakPolarHBondContact O-CB 3.5Å; F182-S186 PolarHBondContact O-N 3.35Å; F182-S186 PolarHBondContact O-OG 3.43Å
187	H	42.4	Very low	48.8	Very low	102 Å²	102	87.8 Å²	87.8	47%	0.472	45%	0.452	S	S	.	.			trans	-115.3	106.6	177.6	-89.2	-80.2	0	0	0	111.5	I189 L190	H187-I189 PolarHBondContact O-N 3.46Å; H187-L190 HydrophobicContact CB-CD1 3.64Å; H187-L190 PolarHBondContact O-N 3.26Å
188	P	47.9	Very low	49.1	Very low	114 Å²	114	86 Å²	86	74%	0.74	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	2	177.5	24.4	-30.5	0	0	0	114.3
189	I	42.1	Very low	49.5	Very low	148 Å²	148	79.4 Å²	79.4	76%	0.759	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	4.5	-169	-49.5	171.2	0	0	0	112	H187 S191	H187-I189 PolarHBondContact O-N 3.46Å; I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3.03Å
190	L	44	Very low	49.8	Very low	58 Å²	58	79 Å²	79	30%	0.304	42%	0.416	S	S	.	.			trans	-72.8	93.4	164.7	-101.2	92.5	0	0	0	108.4	H187 Y192 N194 L195	H187-L190 HydrophobicContact CB-CD1 3.64Å; H187-L190 PolarHBondContact O-N 3.26Å; L190-Y192 PolarHBondContact O-N 3.19Å; L190-N194 HydrophobicContact CD2-CB 3.9Å; L190-N194 HydrophobicContact CG-CB 4.24Å; L190-L195 HydrophobicContact CB-CD1 4.3Å
191	S	52.3	Low	50.1	Low	68 Å²	68	81.9 Å²	81.9	48%	0.476	44%	0.443	S	S	.	.			trans	-39.2	132.6	163.7	171.4	0	0	0	0	108.8	I189 H193 N194	I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3.03Å; S191-H193 CarbonylContact O-C 3.56Å; S191-H193 PolarHBondContact O-N 2.84Å; S191-H193 VanDerWaalsContact OG-CB 3.24Å; S191-H193 WeakPolarHBondContact OG-CB 3.1Å; S191-H193 PolarHBondContact OG-N 3.32Å; S191-N194 PolarHBondContact O-N 3Å
192	Y	52.2	Low	50.2	Low	128 Å²	128	82.7 Å²	82.7	50%	0.502	45%	0.448	S	S	.	.	H	α-helix	trans	-40.3	-32.7	173.5	-175.3	-97.8	0	0	0	111.9	L190 N194 L195 C196 C216	L190-Y192 PolarHBondContact O-N 3.19Å; Y192-N194 PolarHBondContact O-N 3.5Å; Y192-L195 PolarHBondContact O-N 2.94Å; Y192-C196 WeakPolarHBondContact CE1-SG 3.39Å; Y192-C196 WeakPolarHBondContact O-CB 3.49Å; Y192-C196 PolarHBondContact O-N 3.38Å; Y192-C196 PolarHBondContact O-SG 3.31Å; Y192-C196 VanDerWaalsContact O-SG 3.34Å; Y192-C216 HydrophobicContact CE2-CB 4.32Å
193	H	52.2	Low	50.5	Low	79 Å²	79	77.1 Å²	77.1	37%	0.366	42%	0.423	S	S	.	.	H	α-helix	trans	-53	-47.7	171.7	-171.1	-124.9	0	0	0	115.4	S191 K197	S191-H193 CarbonylContact O-C 3.56Å; S191-H193 PolarHBondContact O-N 2.84Å; S191-H193 VanDerWaalsContact OG-CB 3.24Å; S191-H193 WeakPolarHBondContact OG-CB 3.1Å; S191-H193 PolarHBondContact OG-N 3.32Å; H193-K197 WeakPolarHBondContact CE1-CE 2.76Å; H193-K197 PolarHBondContact CE1-NZ 3.46Å; H193-K197 WeakPolarHBondContact NE2-CE 3.34Å; H193-K197 WeakPolarHBondContact O-CG 2.93Å; H193-K197 PolarHBondContact O-N 3.33Å
194	N	51.8	Low	51	Low	71 Å²	71	74.7 Å²	74.7	38%	0.38	43%	0.425	S	S	.	.	H	α-helix	trans	-73.4	-35.6	-179.7	-72.6	-25.2	0	0	0	111.5	L190 S191 Y192 K197 V198	L190-N194 HydrophobicContact CD2-CB 3.9Å; L190-N194 HydrophobicContact CG-CB 4.24Å; S191-N194 PolarHBondContact O-N 3Å; Y192-N194 PolarHBondContact O-N 3.5Å; N194-K197 PolarHBondContact O-N 2.73Å; N194-V198 VanDerWaalsContact O-CG2 3.31Å; N194-V198 WeakPolarHBondContact O-CG2 3.33Å; N194-V198 PolarHBondContact O-N 3.33Å
195	L	52.7	Low	51.2	Low	30 Å²	30	77.2 Å²	77.2	16%	0.157	43%	0.433	C	S	.	.	H	α-helix	trans	-62.3	-49.1	174	-116.9	132.5	0	0	0	110.6	A184 L190 Y192 K197 V198 F199	A184-L195 HydrophobicContact CB-CD1 3.88Å; A184-L195 HydrophobicContact CB-CD2 4.02Å; A184-L195 HydrophobicContact CB-CG 4.47Å; L190-L195 HydrophobicContact CB-CD1 4.3Å; Y192-L195 PolarHBondContact O-N 2.94Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.9Å; L195-V198 PolarHBondContact O-N 2.79Å; L195-F199 HydrophobicContact CD2-CD2 3.92Å; L195-F199 HydrophobicContact CD2-CE2 3.61Å; L195-F199 WeakPolarHBondContact O-CB 3.31Å; L195-F199 VanDerWaalsContact O-CD2 3.27Å; L195-F199 WeakPolarHBondContact O-CD2 3.19Å; L195-F199 PolarHBondContact O-N 3.23Å
196	C	54.4	Low	51.2	Low	38 Å²	38	74.3 Å²	74.3	26%	0.257	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-37.7	175.6	-71.8	0	0	0	0	113	Y192 F199 A200	Y192-C196 WeakPolarHBondContact CE1-SG 3.39Å; Y192-C196 WeakPolarHBondContact O-CB 3.49Å; Y192-C196 PolarHBondContact O-N 3.38Å; Y192-C196 PolarHBondContact O-SG 3.31Å; Y192-C196 VanDerWaalsContact O-SG 3.34Å; C196-F199 PolarHBondContact O-N 2.89Å; C196-A200 VanDerWaalsContact O-CB 3.22Å; C196-A200 WeakPolarHBondContact O-CB 3.4Å; C196-A200 PolarHBondContact O-N 2.82Å
197	K	54	Low	51.3	Low	97 Å²	97	77.5 Å²	77.5	42%	0.422	44%	0.436	S	S	.	.	H	α-helix	trans	-63.1	-47.3	175.1	-79	177.7	177	-176.3	0	112.5	H193 N194 L195 F199 A200 A201	H193-K197 WeakPolarHBondContact CE1-CE 2.76Å; H193-K197 PolarHBondContact CE1-NZ 3.46Å; H193-K197 WeakPolarHBondContact NE2-CE 3.34Å; H193-K197 WeakPolarHBondContact O-CG 2.93Å; H193-K197 PolarHBondContact O-N 3.33Å; N194-K197 PolarHBondContact O-N 2.73Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.9Å; K197-F199 VanDerWaalsContact C-N 3.28Å; K197-F199 PolarHBondContact O-N 2.83Å; K197-A200 PolarHBondContact O-N 3.4Å; K197-A201 WeakPolarHBondContact O-CB 3.14Å; K197-A201 PolarHBondContact O-N 3.21Å; K197-A201 VanDerWaalsContact O-N 3.07Å
198	V	53.6	Low	51.8	Low	66 Å²	66	74.1 Å²	74.1	40%	0.4	42%	0.42	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.9	173.9	0	0	0	0	110.8	I180 N194 L195 N202	I180-V198 HydrophobicContact CD1-CG1 4.49Å; N194-V198 VanDerWaalsContact O-CG2 3.31Å; N194-V198 WeakPolarHBondContact O-CG2 3.33Å; N194-V198 PolarHBondContact O-N 3.33Å; L195-V198 PolarHBondContact O-N 2.79Å; V198-N202 WeakPolarHBondContact O-CB 3.29Å; V198-N202 PolarHBondContact O-N 3.32Å; V198-N202 PolarHBondContact O-ND2 3.1Å
199	F	55.8	Low	51.9	Low	19 Å²	19	71.8 Å²	71.8	8%	0.083	40%	0.398	C	S	.	.	H	α-helix	trans	-73	-43.3	178.2	-91.7	-69.1	0	0	0	113.5	I180 L195 C196 K197 A201 N202 Y203 I212	I180-F199 HydrophobicContact CB-CZ 4.24Å; I180-F199 HydrophobicContact CG2-CD2 4.03Å; I180-F199 HydrophobicContact CG2-CE1 3.91Å; I180-F199 HydrophobicContact CG2-CE2 3.23Å; I180-F199 HydrophobicContact CG2-CZ 3.18Å; L195-F199 HydrophobicContact CD2-CD2 3.92Å; L195-F199 HydrophobicContact CD2-CE2 3.61Å; L195-F199 WeakPolarHBondContact O-CB 3.31Å; L195-F199 VanDerWaalsContact O-CD2 3.27Å; L195-F199 WeakPolarHBondContact O-CD2 3.19Å; L195-F199 PolarHBondContact O-N 3.23Å; C196-F199 PolarHBondContact O-N 2.89Å; K197-F199 VanDerWaalsContact C-N 3.28Å; K197-F199 PolarHBondContact O-N 2.83Å; F199-A201 VanDerWaalsContact C-N 3.26Å; F199-A201 PolarHBondContact O-N 3.2Å; F199-N202 PolarHBondContact O-N 2.84Å; F199-Y203 AromaticContact CD1-CD2 3.64Å; F199-Y203 HydrophobicContact CD1-CD2 3.64Å; F199-Y203 AromaticContact CD1-CE2 3.94Å; F199-Y203 HydrophobicContact CD1-CE2 3.94Å; F199-Y203 HydrophobicContact CE1-CD2 4.12Å; F199-Y203 HydrophobicContact CE1-CE2 4.02Å; F199-Y203 PolarHBondContact O-N 2.97Å; F199-I212 HydrophobicContact CD1-CD1 3.67Å; F199-I212 HydrophobicContact CE1-CD1 3.24Å; F199-I212 HydrophobicContact CE1-CG1 4.11Å; F199-I212 HydrophobicContact CE1-CG2 4.28Å; F199-I212 HydrophobicContact CE2-CG2 4.2Å; F199-I212 HydrophobicContact CZ-CD1 3.95Å; F199-I212 HydrophobicContact CZ-CG1 4.36Å; F199-I212 HydrophobicContact CZ-CG2 4.02Å
200	A	55.7	Low	52.3	Low	50 Å²	50	70.6 Å²	70.6	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-35.7	176.4	0	0	0	0	0	111.7	C196 K197	C196-A200 VanDerWaalsContact O-CB 3.22Å; C196-A200 WeakPolarHBondContact O-CB 3.4Å; C196-A200 PolarHBondContact O-N 2.82Å; K197-A200 PolarHBondContact O-N 3.4Å
201	A	56.5	Low	52.9	Low	84 Å²	84	71.7 Å²	71.7	69%	0.694	39%	0.393	S	S	*	.	H	α-helix	trans	-71.4	-29.5	177	0	0	0	0	0	113.7	K197 F199	K197-A201 WeakPolarHBondContact O-CB 3.14Å; K197-A201 PolarHBondContact O-N 3.21Å; K197-A201 VanDerWaalsContact O-N 3.07Å; F199-A201 VanDerWaalsContact C-N 3.26Å; F199-A201 PolarHBondContact O-N 3.2Å
202	N	50.4	Low	53	Low	106 Å²	106	69.6 Å²	69.6	57%	0.567	38%	0.376	S	S	*	.	H	α-helix	trans	-105	-16.8	-172.2	-77.6	-74.6	0	0	0	114.9	V198 F199	V198-N202 WeakPolarHBondContact O-CB 3.29Å; V198-N202 PolarHBondContact O-N 3.32Å; V198-N202 PolarHBondContact O-ND2 3.1Å; F199-N202 PolarHBondContact O-N 2.84Å
203	Y	51.6	Low	53.2	Low	25 Å²	25	67.5 Å²	67.5	10%	0.098	37%	0.367	C	S	.	.			trans	-138.9	98	-171.4	-59	-88.4	0	0	0	112.5	I175 N177 I180 F199 D205 K208	I175-Y203 HydrophobicContact CG2-CD1 4.35Å; I175-Y203 HydrophobicContact CG2-CE1 3.91Å; I175-Y203 WeakPolarHBondContact O-CE1 3.32Å; I175-Y203 VanDerWaalsContact O-CZ 3.28Å; I175-Y203 PolarHBondContact O-OH 3.3Å; N177-Y203 PolarHBondContact N-OH 2.71Å; I180-Y203 HydrophobicContact CD1-CE2 3.7Å; F199-Y203 AromaticContact CD1-CD2 3.64Å; F199-Y203 HydrophobicContact CD1-CD2 3.64Å; F199-Y203 AromaticContact CD1-CE2 3.94Å; F199-Y203 HydrophobicContact CD1-CE2 3.94Å; F199-Y203 HydrophobicContact CE1-CD2 4.12Å; F199-Y203 HydrophobicContact CE1-CE2 4.02Å; F199-Y203 PolarHBondContact O-N 2.97Å; Y203-D205 VanDerWaalsContact C-N 3.29Å; Y203-K208 HydrophobicContact CD1-CD 3.77Å; Y203-K208 HydrophobicContact CE1-CD 4.43Å
204	A	53.9	Low	53.3	Low	70 Å²	70	73.2 Å²	73.2	58%	0.579	39%	0.386	S	S	*	.			trans	-82.2	-1.3	173.5	0	0	0	0	0	114	S113	S113-A204 PolarHBondContact OG-O 3.29Å
205	D	53.9	Low	53.4	Low	88 Å²	88	72 Å²	72	47%	0.471	38%	0.376	S	S	.	.			trans	-87.4	112.4	-178	-85.8	-45.1	0	0	0	112.2	Y203 L207 K208 F209	Y203-D205 VanDerWaalsContact C-N 3.29Å; D205-L207 PolarHBondContact O-N 3.47Å; D205-L207 VanDerWaalsContact O-N 3.09Å; D205-K208 HydrophobicContact CB-CB 4.35Å; D205-K208 HydrophobicContact CB-CD 3.82Å; D205-K208 HydrophobicContact CB-CG 3.93Å; D205-K208 WeakPolarHBondContact O-CB 3.25Å; D205-K208 PolarHBondContact O-N 3.4Å; D205-K208 WeakPolarHBondContact OD2-CE 3.17Å; D205-K208 IonicContact OD2-NZ 2.79Å; D205-K208 PolarHBondContact OD2-NZ 3.38Å; D205-F209 PolarHBondContact O-N 3.19Å
206	V	50.4	Low	53.4	Low	52 Å²	52	72 Å²	72	32%	0.315	38%	0.378	S	S	.	.	H	α-helix	trans	-52.7	-32.9	179.4	-178.8	0	0	0	0	112.8	T109 F209 K210	T109-V206 HydrophobicContact CG2-CG1 3.9Å; V206-F209 PolarHBondContact O-N 3.49Å; V206-K210 PolarHBondContact O-N 2.95Å; V206-K210 VanDerWaalsContact O-N 3.17Å
207	L	49.5	Very low	53.1	Low	135 Å²	135	72.6 Å²	72.6	71%	0.707	38%	0.382	S	S	*	.	H	α-helix	trans	-69.2	-37.6	179.6	-144.8	79.9	0	0	0	112.2	D205 K210 I211	D205-L207 PolarHBondContact O-N 3.47Å; D205-L207 VanDerWaalsContact O-N 3.09Å; L207-K210 PolarHBondContact O-N 2.95Å; L207-I211 PolarHBondContact O-N 3.17Å
208	K	52.4	Low	53	Low	30 Å²	30	71.9 Å²	71.9	13%	0.13	38%	0.382	C	S	.	.	H	α-helix	trans	-69.3	-38.9	178.4	-61.4	177.4	-167.5	154.5	0	109.9	I175 F176 Y203 D205 I211 I212	I175-K208 HydrophobicContact CG2-CD 3.82Å; I175-K208 VanDerWaalsContact CG2-CE 3.41Å; F176-K208 HydrophobicContact CE2-CD 4.16Å; F176-K208 HydrophobicContact CE2-CG 4.1Å; F176-K208 HydrophobicContact CZ-CB 4.14Å; F176-K208 HydrophobicContact CZ-CD 4.47Å; F176-K208 HydrophobicContact CZ-CG 4.15Å; Y203-K208 HydrophobicContact CD1-CD 3.77Å; Y203-K208 HydrophobicContact CE1-CD 4.43Å; D205-K208 HydrophobicContact CB-CB 4.35Å; D205-K208 HydrophobicContact CB-CD 3.82Å; D205-K208 HydrophobicContact CB-CG 3.93Å; D205-K208 WeakPolarHBondContact O-CB 3.25Å; D205-K208 PolarHBondContact O-N 3.4Å; D205-K208 WeakPolarHBondContact OD2-CE 3.17Å; D205-K208 IonicContact OD2-NZ 2.79Å; D205-K208 PolarHBondContact OD2-NZ 3.38Å; K208-I211 PolarHBondContact O-N 3.38Å; K208-I212 VanDerWaalsContact O-CD1 3.31Å; K208-I212 WeakPolarHBondContact O-CD1 3.49Å; K208-I212 WeakPolarHBondContact O-CG1 3.33Å; K208-I212 PolarHBondContact O-N 3.37Å
209	F	50.3	Low	52.8	Low	65 Å²	65	71.4 Å²	71.4	29%	0.285	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-39.9	176.9	-153.5	-91.9	0	0	0	112.9	F130 D205 V206 I211 I212 R213	F130-F209 HydrophobicContact CE1-CZ 4.44Å; D205-F209 PolarHBondContact O-N 3.19Å; V206-F209 PolarHBondContact O-N 3.49Å; F209-I211 PolarHBondContact O-N 3.23Å; F209-I212 PolarHBondContact O-N 3.17Å; F209-R213 WeakPolarHBondContact O-CB 3.36Å; F209-R213 PolarHBondContact O-N 3.46Å
210	K	51.6	Low	52.4	Low	123 Å²	123	73.5 Å²	73.5	54%	0.535	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.7	-78.6	-176.7	178.7	177.8	0	112.8	V206 L207 R214	V206-K210 PolarHBondContact O-N 2.95Å; V206-K210 VanDerWaalsContact O-N 3.17Å; L207-K210 PolarHBondContact O-N 2.95Å; K210-R214 PolarHBondContact O-N 3.44Å
211	I	55.6	Low	51.8	Low	81 Å²	81	75.4 Å²	75.4	42%	0.415	39%	0.394	S	S	.	.	H	α-helix	trans	-66.1	-53.7	175.8	-65.3	169.9	0	0	0	108.8	L207 K208 F209 R213 R214 Y215	L207-I211 PolarHBondContact O-N 3.17Å; K208-I211 PolarHBondContact O-N 3.38Å; F209-I211 PolarHBondContact O-N 3.23Å; I211-R213 VanDerWaalsContact C-N 3.32Å; I211-R213 PolarHBondContact O-N 3.32Å; I211-R214 PolarHBondContact O-N 2.85Å; I211-R214 VanDerWaalsContact O-N 3.15Å; I211-Y215 HydrophobicContact CG2-CD2 4.04Å; I211-Y215 HydrophobicContact CG2-CE2 3.94Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 3.23Å; I211-Y215 VanDerWaalsContact O-N 3.16Å
212	I	55.4	Low	51.3	Low	24 Å²	24	78 Å²	78	12%	0.123	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-39.2	-178.7	-66.2	155.4	0	0	0	112	F176 F199 K208 F209 R214 Y215 C216	F176-I212 HydrophobicContact CE1-CD1 3.88Å; F176-I212 HydrophobicContact CE1-CG1 4.12Å; F176-I212 HydrophobicContact CZ-CD1 4.27Å; F199-I212 HydrophobicContact CD1-CD1 3.67Å; F199-I212 HydrophobicContact CE1-CD1 3.24Å; F199-I212 HydrophobicContact CE1-CG1 4.11Å; F199-I212 HydrophobicContact CE1-CG2 4.28Å; F199-I212 HydrophobicContact CE2-CG2 4.2Å; F199-I212 HydrophobicContact CZ-CD1 3.95Å; F199-I212 HydrophobicContact CZ-CG1 4.36Å; F199-I212 HydrophobicContact CZ-CG2 4.02Å; K208-I212 VanDerWaalsContact O-CD1 3.31Å; K208-I212 WeakPolarHBondContact O-CD1 3.49Å; K208-I212 WeakPolarHBondContact O-CG1 3.33Å; K208-I212 PolarHBondContact O-N 3.37Å; F209-I212 PolarHBondContact O-N 3.17Å; I212-R214 PolarHBondContact O-N 3.35Å; I212-Y215 CarbonylContact O-C 3.58Å; I212-Y215 WeakPolarHBondContact O-CB 3.21Å; I212-Y215 PolarHBondContact O-N 3.24Å; I212-C216 PolarHBondContact O-N 3.36Å
213	R	55	Low	51.1	Low	85 Å²	85	80.6 Å²	80.6	32%	0.321	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-42.4	176.9	-175.6	-176	169	110.2	-5.2	112.3	F209 I211 Y215 C217	F209-R213 WeakPolarHBondContact O-CB 3.36Å; F209-R213 PolarHBondContact O-N 3.46Å; I211-R213 VanDerWaalsContact C-N 3.32Å; I211-R213 PolarHBondContact O-N 3.32Å; R213-Y215 VanDerWaalsContact C-N 3.27Å; R213-Y215 PolarHBondContact O-N 3.01Å; R213-C217 WeakPolarHBondContact O-CB 3.44Å; R213-C217 PolarHBondContact O-N 3.23Å; R213-C217 VanDerWaalsContact O-N 3.08Å
214	R	54.5	Low	50.6	Low	198 Å²	198	84.2 Å²	84.2	75%	0.747	42%	0.42	S	S	*	.	H	α-helix	trans	-61.5	-38.6	173.3	-90.2	-174.6	170.8	178.1	-2.5	111.4	K210 I211 I212 I218	K210-R214 PolarHBondContact O-N 3.44Å; I211-R214 PolarHBondContact O-N 2.85Å; I211-R214 VanDerWaalsContact O-N 3.15Å; I212-R214 PolarHBondContact O-N 3.35Å; R214-I218 VanDerWaalsContact O-CD1 3.31Å; R214-I218 WeakPolarHBondContact O-CD1 3.47Å; R214-I218 WeakPolarHBondContact O-CG1 3.42Å; R214-I218 PolarHBondContact O-N 3.08Å
215	Y	53.6	Low	49.6	Very low	47 Å²	47	86.9 Å²	86.9	18%	0.184	42%	0.424	C	S	.	.	H	α-helix	trans	-73.4	-43.1	-178.7	-83.2	-108.9	0	0	0	112.9	F158 Y161 I162 I211 I212 R213 I218 I219	F158-Y215 HydrophobicContact CD2-CE1 4.31Å; F158-Y215 AromaticContact CE2-CD1 3.74Å; F158-Y215 HydrophobicContact CE2-CD1 3.74Å; F158-Y215 AromaticContact CE2-CE1 3.14Å; F158-Y215 HydrophobicContact CE2-CE1 3.14Å; F158-Y215 AromaticContact CE2-CZ 3.82Å; F158-Y215 AromaticContact CZ-CD1 3.64Å; F158-Y215 HydrophobicContact CZ-CD1 3.64Å; F158-Y215 AromaticContact CZ-CE1 3.31Å; F158-Y215 HydrophobicContact CZ-CE1 3.31Å; Y161-Y215 WeakPolarHBondContact CD1-OH 3.4Å; Y161-Y215 HydrophobicContact CE1-CE2 4.47Å; Y161-Y215 AromaticContact CE1-CZ 3.93Å; Y161-Y215 WeakPolarHBondContact CE1-OH 3.38Å; I162-Y215 HydrophobicContact CG1-CE1 4.47Å; I211-Y215 HydrophobicContact CG2-CD2 4.04Å; I211-Y215 HydrophobicContact CG2-CE2 3.94Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 3.23Å; I211-Y215 VanDerWaalsContact O-N 3.16Å; I212-Y215 CarbonylContact O-C 3.58Å; I212-Y215 WeakPolarHBondContact O-CB 3.21Å; I212-Y215 PolarHBondContact O-N 3.24Å; R213-Y215 VanDerWaalsContact C-N 3.27Å; R213-Y215 PolarHBondContact O-N 3.01Å; Y215-I218 PolarHBondContact O-N 3.26Å; Y215-I219 WeakPolarHBondContact O-CG1 3.3Å; Y215-I219 PolarHBondContact O-N 3.08Å
216	C	53.9	Low	48.8	Very low	29 Å²	29	91.7 Å²	91.7	20%	0.196	46%	0.46	C	S	.	.	H	α-helix	trans	-64.4	-40.6	175.8	-74.4	0	0	0	0	111.9	Y192 I212 I218 I219 V220	Y192-C216 HydrophobicContact CE2-CB 4.32Å; I212-C216 PolarHBondContact O-N 3.36Å; C216-I218 VanDerWaalsContact C-N 3.35Å; C216-I218 PolarHBondContact O-N 2.74Å; C216-I219 PolarHBondContact O-N 3.28Å; C216-V220 WeakPolarHBondContact O-CG2 3.43Å; C216-V220 PolarHBondContact O-N 3Å
217	C	48.1	Very low	48.7	Very low	51 Å²	51	93.7 Å²	93.7	35%	0.345	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-42.5	172.9	-83.7	0	0	0	0	111.9	R213 I219 V220 L221	R213-C217 WeakPolarHBondContact O-CB 3.44Å; R213-C217 PolarHBondContact O-N 3.23Å; R213-C217 VanDerWaalsContact O-N 3.08Å; C217-I219 VanDerWaalsContact C-N 3.34Å; C217-I219 PolarHBondContact O-N 3.02Å; C217-V220 PolarHBondContact O-N 3.5Å; C217-L221 VanDerWaalsContact O-CB 3.29Å; C217-L221 WeakPolarHBondContact O-CB 3.47Å; C217-L221 WeakPolarHBondContact O-CD1 3.42Å; C217-L221 WeakPolarHBondContact O-CG 3.31Å; C217-L221 PolarHBondContact O-N 2.86Å
218	I	51.4	Low	48.7	Very low	82 Å²	82	91.5 Å²	91.5	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-65.7	-36.5	179.2	-68.3	164.5	0	0	0	111.9	R214 Y215 C216 R222	R214-I218 VanDerWaalsContact O-CD1 3.31Å; R214-I218 WeakPolarHBondContact O-CD1 3.47Å; R214-I218 WeakPolarHBondContact O-CG1 3.42Å; R214-I218 PolarHBondContact O-N 3.08Å; Y215-I218 PolarHBondContact O-N 3.26Å; C216-I218 VanDerWaalsContact C-N 3.35Å; C216-I218 PolarHBondContact O-N 2.74Å; I218-R222 PolarHBondContact O-N 3.38Å
219	I	49.5	Very low	48.5	Very low	56 Å²	56	94.9 Å²	94.9	29%	0.287	47%	0.473	S	S	.	.	H	α-helix	trans	-73.1	-40.2	-179.9	-66.5	166.1	0	0	0	111.5	F185 Y215 C216 C217 R222 K223	F185-I219 HydrophobicContact CE2-CD1 3.74Å; F185-I219 HydrophobicContact CZ-CD1 3.72Å; F185-I219 HydrophobicContact CZ-CG1 4.28Å; Y215-I219 WeakPolarHBondContact O-CG1 3.3Å; Y215-I219 PolarHBondContact O-N 3.08Å; C216-I219 PolarHBondContact O-N 3.28Å; C217-I219 VanDerWaalsContact C-N 3.34Å; C217-I219 PolarHBondContact O-N 3.02Å; I219-R222 PolarHBondContact O-N 3.43Å; I219-K223 PolarHBondContact O-N 3.19Å
220	V	46.8	Very low	48.4	Very low	62 Å²	62	96.6 Å²	96.6	38%	0.376	48%	0.484	S	S	.	.	H	α-helix	trans	-67	-44.3	176.6	174.5	0	0	0	0	110.5	C216 C217 R222 K223 C224	C216-V220 WeakPolarHBondContact O-CG2 3.43Å; C216-V220 PolarHBondContact O-N 3Å; C217-V220 PolarHBondContact O-N 3.5Å; V220-R222 VanDerWaalsContact C-N 3.25Å; V220-R222 PolarHBondContact O-N 3.13Å; V220-K223 PolarHBondContact O-N 3.13Å; V220-C224 PolarHBondContact O-N 3Å
221	L	44.1	Very low	48.2	Very low	90 Å²	90	95 Å²	95	47%	0.471	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-26	178.9	-70.3	170.1	0	0	0	113.7	I144 C217	I144-L221 HydrophobicContact CD1-CD2 3.94Å; C217-L221 VanDerWaalsContact O-CB 3.29Å; C217-L221 WeakPolarHBondContact O-CB 3.47Å; C217-L221 WeakPolarHBondContact O-CD1 3.42Å; C217-L221 WeakPolarHBondContact O-CG 3.31Å; C217-L221 PolarHBondContact O-N 2.86Å
222	R	45.9	Very low	47.7	Very low	139 Å²	139	95.9 Å²	95.9	53%	0.525	49%	0.485	S	S	.	.	H	α-helix	trans	-87.4	-13.5	176.3	-86.4	-169.6	170.3	171.8	0	115.1	V153 I218 I219 V220	V153-R222 PolarHBondContact O-NH2 2.79Å; I218-R222 PolarHBondContact O-N 3.38Å; I219-R222 PolarHBondContact O-N 3.43Å; V220-R222 VanDerWaalsContact C-N 3.25Å; V220-R222 PolarHBondContact O-N 3.13Å
223	K	44.9	Very low	47.1	Very low	161 Å²	161	101.1 Å²	101.1	70%	0.7	51%	0.511	S	S	*	.	H	α-helix	trans	-93.2	-16.1	173.5	-87.4	-168.5	174	-176.1	0	113.5	I219 V220	I219-K223 PolarHBondContact O-N 3.19Å; V220-K223 PolarHBondContact O-N 3.13Å
224	C	41.9	Very low	46.5	Very low	101 Å²	101	102.3 Å²	102.3	68%	0.682	53%	0.525	S	S	*	.	S	Bend	trans	-91.2	0.6	175.5	-68.3	0	0	0	0	114	V220	V220-C224 PolarHBondContact O-N 3Å
225	N	33.3	Very low	45.9	Very low	126 Å²	126	94.3 Å²	94.3	67%	0.674	51%	0.507	S	S	*	.			trans	-126.7	104.2	174.7	-145.1	-52.4	0	0	0	108.1
226	P	36.9	Very low	45.2	Very low	188 Å²	188	98.6 Å²	98.6	100%	1.221	54%	0.536	S	S	*	.			trans	-66.5	0	178.6	27.4	-32.5	0	0	0	113

Retrieved 226 of 226 residues in 168.7 ms (Link to these results)

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