A0A3Q0KP69_SCHMA Loading...

DUF4065 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KP69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 257 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	30.3	Very low	31.8	Very low	240 Å²	240	136.7 Å²	136.7	100%	1.182	71%	0.713	S	S	*	*				0	124.3	0	-71	159.3	167.8	0	0	107.2
2	I	35	Very low	32.2	Very low	162 Å²	162	130.4 Å²	130.4	83%	0.831	69%	0.686	S	S	*	*			trans	-126.6	110.7	173.2	-59.9	176.3	0	0	0	105
3	E	29.3	Very low	33.4	Very low	176 Å²	176	125.6 Å²	125.6	82%	0.822	67%	0.666	S	S	*	*			trans	-70.2	133.7	178.9	-64.7	-171.5	142	0	0	109.6	L5	E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 2.6Å
4	N	30.9	Very low	33.7	Very low	147 Å²	147	131.6 Å²	131.6	79%	0.786	67%	0.674	S	S	*	*			trans	-69.6	88.8	-175.6	-77.1	-41.9	0	0	0	110.6	N6	N4-N6 PolarHBondContact O-N 3.18Å
5	L	33.2	Very low	34.2	Very low	148 Å²	148	128.3 Å²	128.3	78%	0.775	66%	0.658	S	S	*	*			trans	-67.2	74.6	172.8	-84	164.1	0	0	0	110.7	E3 K95	E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 2.6Å; L5-K95 PolarHBondContact O-NZ 2.84Å
6	N	28.8	Very low	34.4	Very low	131 Å²	131	121.5 Å²	121.5	70%	0.701	63%	0.627	S	S	*	*			trans	-51.5	146.4	179.8	-90.9	-26	0	0	0	111.6	N4 K8	N4-N6 PolarHBondContact O-N 3.18Å; N6-K8 PolarHBondContact O-N 2.91Å
7	P	29.8	Very low	34.6	Very low	84 Å²	84	122.6 Å²	122.6	55%	0.545	62%	0.621	S	S	.	*			trans	-64.5	103.7	176.4	26.6	-32.5	0	0	0	110.8	K95	P7-K95 HydrophobicContact CB-CB 4.34Å; P7-K95 HydrophobicContact CB-CD 4.03Å
8	K	31.2	Very low	34.7	Very low	113 Å²	113	119.1 Å²	119.1	49%	0.491	60%	0.604	S	S	.	*			trans	-45.7	132.7	160.2	-89.4	-167.9	167.4	-162.1	0	108.9	N6 V93 R94 K95	N6-K8 PolarHBondContact O-N 2.91Å; K8-V93 HydrophobicContact CB-CG1 3.63Å; K8-V93 HydrophobicContact CD-CG1 3.95Å; K8-V93 HydrophobicContact CG-CG1 3.92Å; K8-R94 CarbonylContact C-O 3.26Å; K8-R94 HydrophobicContact CB-CB 4.41Å; K8-R94 HydrophobicContact CD-CB 4.49Å; K8-R94 CarbonylContact O-C 3.2Å; K8-K95 PolarHBondContact O-N 3.18Å
9	P	30.5	Very low	34.6	Very low	96 Å²	96	115.6 Å²	115.6	62%	0.623	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-73.5	142.6	-175.6	28.1	-35.7	0	0	0	112.5	V93 R94	P9-V93 HydrophobicContact CG-CG1 3.98Å; P9-V93 VanDerWaalsContact O-CG1 3.24Å; P9-V93 WeakPolarHBondContact O-CG1 3.33Å; P9-R94 CarbonylContact C-O 3.38Å; P9-R94 VanDerWaalsContact C-O 3.23Å; P9-R94 VanDerWaalsContact O-O 3.07Å
10	L	33.5	Very low	34.7	Very low	107 Å²	107	114.6 Å²	114.6	56%	0.56	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-57.8	139.1	174.2	-73.3	164.9	0	0	0	110.6	P32 R94	L10-P32 HydrophobicContact CD1-CG 3.85Å; L10-R94 PolarHBondContact N-O 2.91Å
11	L	37.4	Very low	34.8	Very low	100 Å²	100	115 Å²	115	52%	0.524	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-63.8	140.4	171.3	-70.7	165.3	0	0	0	109.7	T13	L11-T13 PolarHBondContact O-N 2.94Å
12	P	36.8	Very low	35	Very low	61 Å²	61	106.8 Å²	106.8	40%	0.396	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-59.7	131	175.6	24.1	-32.9	0	0	0	109.9	A16 R17	P12-A16 HydrophobicContact CB-CB 3.82Å; P12-R17 HydrophobicContact CB-CG 4.15Å; P12-R17 HydrophobicContact CG-CG 4.06Å
13	T	47.7	Very low	35.2	Very low	68 Å²	68	104.9 Å²	104.9	42%	0.417	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-60.6	165	175.3	54.3	0	0	0	0	110.8	L11 I15 A16 R17	L11-T13 PolarHBondContact O-N 2.94Å; T13-I15 PolarHBondContact O-N 2.9Å; T13-I15 VanDerWaalsContact O-N 3.17Å; T13-A16 PolarHBondContact O-N 2.85Å; T13-A16 VanDerWaalsContact O-N 3.1Å; T13-A16 PolarHBondContact OG1-N 3.27Å; T13-R17 PolarHBondContact O-N 3.01Å; T13-R17 VanDerWaalsContact O-N 3.13Å
14	R	37.8	Very low	35.4	Very low	209 Å²	209	100 Å²	100	79%	0.789	53%	0.53	S	S	*	.	H	α-helix	trans	-49.3	-42	173.3	-89.1	179.9	165.9	173	-6.5	111.2	L18	R14-L18 WeakPolarHBondContact O-CB 3.5Å; R14-L18 PolarHBondContact O-N 3.37Å; R14-L18 VanDerWaalsContact O-N 3.12Å
15	I	40.7	Very low	35.5	Very low	83 Å²	83	100.6 Å²	100.6	43%	0.426	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-49.1	177.2	-65.2	162.4	0	0	0	112.2	T13 R17 L18 E19 L35	T13-I15 PolarHBondContact O-N 2.9Å; T13-I15 VanDerWaalsContact O-N 3.17Å; I15-R17 VanDerWaalsContact C-N 3.34Å; I15-R17 PolarHBondContact O-N 2.91Å; I15-L18 CarbonylContact O-C 3.52Å; I15-L18 WeakPolarHBondContact O-CA 3.13Å; I15-L18 WeakPolarHBondContact O-CB 3.41Å; I15-L18 PolarHBondContact O-N 2.98Å; I15-E19 PolarHBondContact O-N 3.31Å; I15-L35 HydrophobicContact CD1-CD1 4.31Å; I15-L35 HydrophobicContact CD1-CD2 4.06Å
16	A	37.2	Very low	35.4	Very low	19 Å²	19	99.6 Å²	99.6	16%	0.157	53%	0.526	C	S	.	.	H	α-helix	trans	-63.8	-36.5	-179.1	0	0	0	0	0	112.8	P12 T13 L18 E19 E20	P12-A16 HydrophobicContact CB-CB 3.82Å; T13-A16 PolarHBondContact O-N 2.85Å; T13-A16 VanDerWaalsContact O-N 3.1Å; T13-A16 PolarHBondContact OG1-N 3.27Å; A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 PolarHBondContact O-N 3.19Å; A16-E19 PolarHBondContact O-N 2.92Å; A16-E20 WeakPolarHBondContact O-CB 3.4Å; A16-E20 PolarHBondContact O-N 2.86Å
17	R	38.1	Very low	35.9	Very low	140 Å²	140	95.8 Å²	95.8	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-67.1	-29.4	171.1	-65.1	-172.8	-172	177.5	1.3	112.9	P12 T13 I15 L21	P12-R17 HydrophobicContact CB-CG 4.15Å; P12-R17 HydrophobicContact CG-CG 4.06Å; T13-R17 PolarHBondContact O-N 3.01Å; T13-R17 VanDerWaalsContact O-N 3.13Å; I15-R17 VanDerWaalsContact C-N 3.34Å; I15-R17 PolarHBondContact O-N 2.91Å; R17-L21 WeakPolarHBondContact O-CD1 3.15Å; R17-L21 WeakPolarHBondContact O-CG 3.41Å; R17-L21 PolarHBondContact O-N 2.81Å
18	L	36.1	Very low	36.1	Very low	60 Å²	60	102 Å²	102	31%	0.314	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-53.5	174.9	-129	144.3	0	0	0	109.1	R14 I15 A16 E20 L21 L22	R14-L18 WeakPolarHBondContact O-CB 3.5Å; R14-L18 PolarHBondContact O-N 3.37Å; R14-L18 VanDerWaalsContact O-N 3.12Å; I15-L18 CarbonylContact O-C 3.52Å; I15-L18 WeakPolarHBondContact O-CA 3.13Å; I15-L18 WeakPolarHBondContact O-CB 3.41Å; I15-L18 PolarHBondContact O-N 2.98Å; A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 PolarHBondContact O-N 3.19Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 3.48Å; L18-L22 HydrophobicContact CD2-CD1 3.63Å; L18-L22 HydrophobicContact CD2-CG 4.19Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.11Å
19	E	33.1	Very low	36.3	Very low	52 Å²	52	101 Å²	101	24%	0.243	53%	0.529	C	S	.	.	H	α-helix	trans	-57.1	-42	176.3	-67.3	-177.6	131.7	0	0	113.3	I15 A16 L21 L22 L23 T27	I15-E19 PolarHBondContact O-N 3.31Å; A16-E19 PolarHBondContact O-N 2.92Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.17Å; E19-L22 PolarHBondContact O-N 3.36Å; E19-L23 PolarHBondContact O-N 2.95Å; E19-T27 HydrophobicContact CB-CG2 3.54Å
20	E	36.8	Very low	36.7	Very low	95 Å²	95	100.7 Å²	100.7	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-41.7	179	-170.4	169.7	-143.2	0	0	111.9	A16 L18 G24 T27	A16-E20 WeakPolarHBondContact O-CB 3.4Å; A16-E20 PolarHBondContact O-N 2.86Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 3.4Å; E20-G24 PolarHBondContact O-N 2.83Å; E20-T27 HydrophobicContact CB-CG2 3.79Å; E20-T27 VanDerWaalsContact N-CG2 3.26Å
21	L	36.8	Very low	37.1	Very low	123 Å²	123	100.8 Å²	100.8	64%	0.644	52%	0.519	S	S	*	.	H	α-helix	trans	-77.7	-28.4	176.7	-72.2	168.3	0	0	0	113.3	R17 L18 E19 Q74	R17-L21 WeakPolarHBondContact O-CD1 3.15Å; R17-L21 WeakPolarHBondContact O-CG 3.41Å; R17-L21 PolarHBondContact O-N 2.81Å; L18-L21 PolarHBondContact O-N 3.48Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.17Å; L21-Q74 VanDerWaalsContact CD1-NE2 3.26Å
22	L	34.3	Very low	37.4	Very low	69 Å²	69	98.9 Å²	98.9	36%	0.361	51%	0.512	S	S	.	.	H	α-helix	trans	-77.7	-38.5	179.9	-76	173.4	0	0	0	113.8	L18 E19 A70 Q74	L18-L22 HydrophobicContact CD2-CD1 3.63Å; L18-L22 HydrophobicContact CD2-CG 4.19Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.11Å; E19-L22 PolarHBondContact O-N 3.36Å; L22-A70 HydrophobicContact CD1-CB 3.61Å; L22-A70 HydrophobicContact CD2-CB 3.77Å; L22-A70 HydrophobicContact CG-CB 4.35Å; L22-Q74 HydrophobicContact CD2-CB 4.34Å
23	L	39.3	Very low	37.8	Very low	121 Å²	121	101.4 Å²	101.4	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-103.6	-8.6	-169.5	-65.5	175.9	0	0	0	114.2	E19 K25	E19-L23 PolarHBondContact O-N 2.95Å; L23-K25 PolarHBondContact O-N 3.31Å; L23-K25 VanDerWaalsContact O-N 3.15Å
24	G	33.3	Very low	37.8	Very low	75 Å²	75	103.8 Å²	103.8	77%	0.773	52%	0.524	S	S	*	.	S	Bend	trans	60.7	23	-180	0	0	0	0	0	113.7	E20	E20-G24 PolarHBondContact O-N 2.83Å
25	K	32.3	Very low	38.1	Very low	159 Å²	159	96.1 Å²	96.1	69%	0.691	50%	0.498	S	S	*	.	S	Bend	trans	-136.9	140.3	-175.7	-71.2	173.5	-177.7	175.6	0	107.9	L23 T27	L23-K25 PolarHBondContact O-N 3.31Å; L23-K25 VanDerWaalsContact O-N 3.15Å; K25-T27 PolarHBondContact O-N 2.87Å; K25-T27 VanDerWaalsContact O-N 3.08Å
26	T	33	Very low	38.4	Very low	127 Å²	127	95.8 Å²	95.8	78%	0.779	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-53.7	118.2	169.2	46	0	0	0	0	108.8
27	T	38.5	Very low	38.8	Very low	50 Å²	50	95.5 Å²	95.5	31%	0.307	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-58.7	141.8	-167.5	50.2	0	0	0	0	111.7	E19 E20 K25 S29	E19-T27 HydrophobicContact CB-CG2 3.54Å; E20-T27 HydrophobicContact CB-CG2 3.79Å; E20-T27 VanDerWaalsContact N-CG2 3.26Å; K25-T27 PolarHBondContact O-N 2.87Å; K25-T27 VanDerWaalsContact O-N 3.08Å; T27-S29 PolarHBondContact O-N 2.69Å; T27-S29 VanDerWaalsContact O-N 3.14Å
28	Y	33.4	Very low	39.2	Very low	214 Å²	214	93.9 Å²	93.9	84%	0.839	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-51.7	124.9	159.1	-90.8	-96	0	0	0	107.9	L30	Y28-L30 PolarHBondContact O-N 2.87Å
29	S	35.5	Very low	39.6	Very low	93 Å²	93	93.3 Å²	93.3	65%	0.65	49%	0.489	S	S	*	.			trans	-70.7	83	173.3	-172.8	0	0	0	0	108.8	T27 Q31	T27-S29 PolarHBondContact O-N 2.69Å; T27-S29 VanDerWaalsContact O-N 3.14Å; S29-Q31 PolarHBondContact O-N 3.09Å
30	L	38.7	Very low	40.1	Very low	89 Å²	89	93.5 Å²	93.5	47%	0.466	49%	0.492	S	S	.	.			trans	-60.8	89.3	156.1	-86	163.6	0	0	0	106	Y28 K34	Y28-L30 PolarHBondContact O-N 2.87Å; L30-K34 HydrophobicContact CD2-CB 4.05Å; L30-K34 HydrophobicContact CD2-CD 4.18Å
31	Q	41.7	Very low	40.4	Very low	109 Å²	109	90.1 Å²	90.1	51%	0.509	48%	0.476	S	S	.	.			trans	-37.1	134.9	173.2	-71.9	-74.3	-4.1	0	0	108.9	S29 E33 K34 L35	S29-Q31 PolarHBondContact O-N 3.09Å; Q31-E33 CarbonylContact O-C 3.23Å; Q31-E33 PolarHBondContact O-N 2.93Å; Q31-K34 HydrophobicContact CB-CG 4.38Å; Q31-K34 WeakPolarHBondContact O-CA 3.5Å; Q31-K34 WeakPolarHBondContact O-CB 3.45Å; Q31-K34 PolarHBondContact O-N 3.46Å; Q31-L35 PolarHBondContact O-N 2.64Å
32	P	44.3	Very low	40.7	Very low	60 Å²	60	85.9 Å²	85.9	39%	0.39	46%	0.457	S	S	.	.	H	α-helix	trans	-52.1	-32.3	-178.9	-30.3	36.5	0	0	0	113	L10 K34 L35 V36	L10-P32 HydrophobicContact CD1-CG 3.85Å; P32-K34 PolarHBondContact O-N 3.47Å; P32-L35 PolarHBondContact O-N 2.74Å; P32-V36 WeakPolarHBondContact O-CB 3.35Å; P32-V36 VanDerWaalsContact O-CG2 3.29Å; P32-V36 WeakPolarHBondContact O-CG2 3.27Å; P32-V36 PolarHBondContact O-N 2.86Å
33	E	46.2	Very low	41.1	Very low	114 Å²	114	88.9 Å²	88.9	53%	0.533	46%	0.464	S	S	.	.	H	α-helix	trans	-56.5	-41.2	169.4	-67.6	-170.8	-133.9	0	0	114.1	Q31 N37 K47	Q31-E33 CarbonylContact O-C 3.23Å; Q31-E33 PolarHBondContact O-N 2.93Å; E33-N37 WeakPolarHBondContact O-CB 3.47Å; E33-N37 PolarHBondContact O-N 2.71Å; E33-N37 PolarHBondContact O-ND2 3.5Å; E33-N37 PolarHBondContact O-OD1 3.45Å; E33-K47 IonicContact OE2-NZ 2.78Å; E33-K47 PolarHBondContact OE2-NZ 3.23Å
34	K	46.2	Very low	41	Very low	119 Å²	119	85.1 Å²	85.1	52%	0.517	46%	0.455	S	S	.	.	H	α-helix	trans	-69.1	-39.3	177.4	-72.6	-168.7	173	-168.3	0	112.4	L30 Q31 P32 Y38	L30-K34 HydrophobicContact CD2-CB 4.05Å; L30-K34 HydrophobicContact CD2-CD 4.18Å; Q31-K34 HydrophobicContact CB-CG 4.38Å; Q31-K34 WeakPolarHBondContact O-CA 3.5Å; Q31-K34 WeakPolarHBondContact O-CB 3.45Å; Q31-K34 PolarHBondContact O-N 3.46Å; P32-K34 PolarHBondContact O-N 3.47Å; K34-Y38 WeakPolarHBondContact O-CB 3.41Å; K34-Y38 PolarHBondContact O-N 2.8Å
35	L	45.6	Very low	41.1	Very low	47 Å²	47	88 Å²	88	25%	0.246	45%	0.446	C	S	.	.	H	α-helix	trans	-67.7	-45.8	176	-177.5	68	0	0	0	111	I15 Q31 P32 Y38 V39	I15-L35 HydrophobicContact CD1-CD1 4.31Å; I15-L35 HydrophobicContact CD1-CD2 4.06Å; Q31-L35 PolarHBondContact O-N 2.64Å; P32-L35 PolarHBondContact O-N 2.74Å; L35-Y38 PolarHBondContact O-N 3.34Å; L35-V39 WeakPolarHBondContact O-CG2 3.19Å; L35-V39 PolarHBondContact O-N 2.84Å
36	V	46.1	Very low	41.5	Very low	77 Å²	77	85.5 Å²	85.5	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.4	170.1	0	0	0	0	110.7	P32 Y38 V39 L40	P32-V36 WeakPolarHBondContact O-CB 3.35Å; P32-V36 VanDerWaalsContact O-CG2 3.29Å; P32-V36 WeakPolarHBondContact O-CG2 3.27Å; P32-V36 PolarHBondContact O-N 2.86Å; V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 PolarHBondContact O-N 3.34Å; V36-V39 PolarHBondContact O-N 3.18Å; V36-L40 HydrophobicContact CG1-CD1 3.64Å; V36-L40 HydrophobicContact CG1-CG 4.12Å; V36-L40 WeakPolarHBondContact O-CB 3.31Å; V36-L40 VanDerWaalsContact O-CG 3.24Å; V36-L40 WeakPolarHBondContact O-CG 3.4Å; V36-L40 PolarHBondContact O-N 3.45Å
37	N	46.5	Very low	42	Very low	13 Å²	13	82.1 Å²	82.1	7%	0.07	41%	0.408	C	S	.	.	H	α-helix	trans	-60	-38.5	173.2	-72.6	-6.8	0	0	0	111.9	E33 N41	E33-N37 WeakPolarHBondContact O-CB 3.47Å; E33-N37 PolarHBondContact O-N 2.71Å; E33-N37 PolarHBondContact O-ND2 3.5Å; E33-N37 PolarHBondContact O-OD1 3.45Å; N37-N41 WeakPolarHBondContact O-CB 3.3Å; N37-N41 PolarHBondContact O-N 2.81Å; N37-N41 PolarHBondContact O-ND2 2.83Å; N37-N41 PolarHBondContact O-OD1 2.83Å
38	Y	44.9	Very low	42.1	Very low	105 Å²	105	87 Å²	87	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-47.9	178.2	-180	-94.4	0	0	0	111.6	K34 L35 V36 N41 S42 I56 I59	K34-Y38 WeakPolarHBondContact O-CB 3.41Å; K34-Y38 PolarHBondContact O-N 2.8Å; L35-Y38 PolarHBondContact O-N 3.34Å; V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 PolarHBondContact O-N 3.34Å; Y38-N41 PolarHBondContact O-N 3.08Å; Y38-S42 WeakPolarHBondContact O-CB 3.17Å; Y38-S42 PolarHBondContact O-N 3.42Å; Y38-I56 HydrophobicContact CD2-CD1 4.46Å; Y38-I56 HydrophobicContact CE2-CD1 4.15Å; Y38-I59 HydrophobicContact CE2-CD1 4.05Å
39	V	44.9	Very low	42.4	Very low	49 Å²	49	85.9 Å²	85.9	30%	0.297	43%	0.427	S	S	.	.	H	α-helix	trans	-64.7	-45.3	176.7	177.2	0	0	0	0	110.9	L35 V36 S42 Y43	L35-V39 WeakPolarHBondContact O-CG2 3.19Å; L35-V39 PolarHBondContact O-N 2.84Å; V36-V39 PolarHBondContact O-N 3.18Å; V39-S42 WeakPolarHBondContact CA-OG 3.44Å; V39-S42 PolarHBondContact O-N 2.96Å; V39-S42 VanDerWaalsContact O-N 3.13Å; V39-S42 PolarHBondContact O-OG 2.78Å; V39-Y43 HydrophobicContact CG1-CD2 4.13Å; V39-Y43 HydrophobicContact CG1-CE2 3.93Å; V39-Y43 VanDerWaalsContact O-CD2 3.27Å; V39-Y43 WeakPolarHBondContact O-CD2 3.17Å; V39-Y43 PolarHBondContact O-N 2.94Å
40	L	44.1	Very low	42.3	Very low	56 Å²	56	86.2 Å²	86.2	29%	0.293	42%	0.418	S	S	.	.	H	α-helix	trans	-60.9	-47.5	176.3	-76.2	-179.6	0	0	0	111.8	V36 S42 Y43 G44 F45	V36-L40 HydrophobicContact CG1-CD1 3.64Å; V36-L40 HydrophobicContact CG1-CG 4.12Å; V36-L40 WeakPolarHBondContact O-CB 3.31Å; V36-L40 VanDerWaalsContact O-CG 3.24Å; V36-L40 WeakPolarHBondContact O-CG 3.4Å; V36-L40 PolarHBondContact O-N 3.45Å; L40-S42 PolarHBondContact O-N 2.81Å; L40-Y43 CarbonylContact O-C 3.55Å; L40-Y43 PolarHBondContact O-N 2.88Å; L40-Y43 VanDerWaalsContact O-N 3.08Å; L40-G44 PolarHBondContact O-N 2.77Å; L40-G44 VanDerWaalsContact O-N 3.1Å; L40-F45 CarbonylContact C-O 3.6Å; L40-F45 VanDerWaalsContact C-O 3.26Å; L40-F45 HydrophobicContact CB-CB 3.92Å; L40-F45 WeakPolarHBondContact CB-O 3.31Å; L40-F45 HydrophobicContact CD2-CB 4.14Å; L40-F45 HydrophobicContact CD2-CD2 4.25Å; L40-F45 HydrophobicContact CD2-CG 4.36Å; L40-F45 PolarHBondContact O-N 2.96Å
41	N	43.8	Very low	42.1	Very low	24 Å²	24	88.8 Å²	88.8	13%	0.128	44%	0.438	C	S	.	.	H	α-helix	trans	-58.1	-37	173.6	-70.9	-8.1	0	0	0	111.4	N37 Y38 Y43 G44 F45 Y46 I56	N37-N41 WeakPolarHBondContact O-CB 3.3Å; N37-N41 PolarHBondContact O-N 2.81Å; N37-N41 PolarHBondContact O-ND2 2.83Å; N37-N41 PolarHBondContact O-OD1 2.83Å; Y38-N41 PolarHBondContact O-N 3.08Å; N41-Y43 PolarHBondContact O-N 2.95Å; N41-G44 PolarHBondContact O-N 3.12Å; N41-F45 PolarHBondContact N-O 3.25Å; N41-F45 PolarHBondContact OD1-O 2.84Å; N41-Y46 HydrophobicContact CB-CD1 4.21Å; N41-Y46 HydrophobicContact CB-CE1 3.95Å; N41-Y46 WeakPolarHBondContact OD1-CD1 3.47Å; N41-I56 HydrophobicContact CB-CD1 4.41Å
42	S	43.1	Very low	41.8	Very low	33 Å²	33	88.5 Å²	88.5	23%	0.231	44%	0.435	C	S	.	.	H	α-helix	trans	-66.3	-23.4	178.2	72.5	0	0	0	0	114.2	Y38 V39 L40	Y38-S42 WeakPolarHBondContact O-CB 3.17Å; Y38-S42 PolarHBondContact O-N 3.42Å; V39-S42 WeakPolarHBondContact CA-OG 3.44Å; V39-S42 PolarHBondContact O-N 2.96Å; V39-S42 VanDerWaalsContact O-N 3.13Å; V39-S42 PolarHBondContact O-OG 2.78Å; L40-S42 PolarHBondContact O-N 2.81Å
43	Y	41	Very low	41.3	Very low	133 Å²	133	91.1 Å²	91.1	52%	0.522	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.3	169.4	-61.4	-69.1	0	0	0	113.1	V39 L40 N41 F45	V39-Y43 HydrophobicContact CG1-CD2 4.13Å; V39-Y43 HydrophobicContact CG1-CE2 3.93Å; V39-Y43 VanDerWaalsContact O-CD2 3.27Å; V39-Y43 WeakPolarHBondContact O-CD2 3.17Å; V39-Y43 PolarHBondContact O-N 2.94Å; L40-Y43 CarbonylContact O-C 3.55Å; L40-Y43 PolarHBondContact O-N 2.88Å; L40-Y43 VanDerWaalsContact O-N 3.08Å; N41-Y43 PolarHBondContact O-N 2.95Å; Y43-F45 WeakPolarHBondContact O-CD2 3.44Å; Y43-F45 WeakPolarHBondContact O-CE2 3.33Å
44	G	37.1	Very low	40.5	Very low	42 Å²	42	92.8 Å²	92.8	43%	0.433	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	8.4	173.6	0	0	0	0	0	117.1	L40 N41 Y46	L40-G44 PolarHBondContact O-N 2.77Å; L40-G44 VanDerWaalsContact O-N 3.1Å; N41-G44 PolarHBondContact O-N 3.12Å; G44-Y46 VanDerWaalsContact O-CD2 3.25Å; G44-Y46 WeakPolarHBondContact O-CD2 3.31Å; G44-Y46 WeakPolarHBondContact O-CE2 3.43Å
45	F	35.8	Very low	40.2	Very low	134 Å²	134	91.3 Å²	91.3	59%	0.588	46%	0.456	S	S	*	.			trans	-99.1	106.6	-177.7	-58.8	-87.2	0	0	0	112.2	L40 N41 Y43	L40-F45 CarbonylContact C-O 3.6Å; L40-F45 VanDerWaalsContact C-O 3.26Å; L40-F45 HydrophobicContact CB-CB 3.92Å; L40-F45 WeakPolarHBondContact CB-O 3.31Å; L40-F45 HydrophobicContact CD2-CB 4.14Å; L40-F45 HydrophobicContact CD2-CD2 4.25Å; L40-F45 HydrophobicContact CD2-CG 4.36Å; L40-F45 PolarHBondContact O-N 2.96Å; N41-F45 PolarHBondContact N-O 3.25Å; N41-F45 PolarHBondContact OD1-O 2.84Å; Y43-F45 WeakPolarHBondContact O-CD2 3.44Å; Y43-F45 WeakPolarHBondContact O-CE2 3.33Å
46	Y	41.2	Very low	39.5	Very low	107 Å²	107	90.3 Å²	90.3	42%	0.42	45%	0.45	S	S	.	.			trans	-105.2	146.8	-172.7	-60.9	-87.7	0	0	0	114.9	N41 G44	N41-Y46 HydrophobicContact CB-CD1 4.21Å; N41-Y46 HydrophobicContact CB-CE1 3.95Å; N41-Y46 WeakPolarHBondContact OD1-CD1 3.47Å; G44-Y46 VanDerWaalsContact O-CD2 3.25Å; G44-Y46 WeakPolarHBondContact O-CD2 3.31Å; G44-Y46 WeakPolarHBondContact O-CE2 3.43Å
47	K	42.5	Very low	38.8	Very low	56 Å²	56	96.9 Å²	96.9	24%	0.243	47%	0.467	C	S	.	.			trans	-81.1	120.9	172.6	-163.9	173.6	-175.5	-176.2	0	110.5	E33 Q49 E50 Y102	E33-K47 IonicContact OE2-NZ 2.78Å; E33-K47 PolarHBondContact OE2-NZ 3.23Å; K47-Q49 PolarHBondContact O-N 2.73Å; K47-E50 PolarHBondContact O-N 3.27Å; K47-Y102 HydrophobicContact CB-CE1 4.18Å; K47-Y102 HydrophobicContact CG-CE1 4.09Å
48	K	40.6	Very low	38.1	Very low	154 Å²	154	100.3 Å²	100.3	67%	0.67	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	5.4	-160.3	-149	175.6	-173.2	174.5	0	118.6	T103	K48-T103 PolarHBondContact NZ-OG1 2.81Å
49	Q	39.9	Very low	37.5	Very low	189 Å²	189	98 Å²	98	88%	0.883	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	-5.2	-176.7	-74.1	-175.5	-28.8	0	0	114.6	K47	K47-Q49 PolarHBondContact O-N 2.73Å
50	E	34.9	Very low	37.1	Very low	101 Å²	101	101.5 Å²	101.5	47%	0.472	50%	0.503	S	S	.	.			trans	-118.4	92.7	175.2	-69.3	-176.7	120.5	0	0	109.9	K47 F52	K47-E50 PolarHBondContact O-N 3.27Å; E50-F52 HydrophobicContact CB-CD2 3.79Å; E50-F52 HydrophobicContact CB-CE2 3.55Å; E50-F52 HydrophobicContact CB-CZ 4.4Å; E50-F52 HydrophobicContact CG-CE2 4.16Å; E50-F52 PolarHBondContact O-N 3.05Å
51	T	34	Very low	36.9	Very low	143 Å²	143	104.8 Å²	104.8	88%	0.877	52%	0.521	S	S	*	.			trans	-71.6	77.8	166.9	50.6	0	0	0	0	109.4
52	F	35.8	Very low	36.4	Very low	102 Å²	102	109.6 Å²	109.6	45%	0.447	54%	0.543	S	S	.	.			trans	-62.9	130	172.6	-84	-74.8	0	0	0	109.8	E50 F54	E50-F52 HydrophobicContact CB-CD2 3.79Å; E50-F52 HydrophobicContact CB-CE2 3.55Å; E50-F52 HydrophobicContact CB-CZ 4.4Å; E50-F52 HydrophobicContact CG-CE2 4.16Å; E50-F52 PolarHBondContact O-N 3.05Å; F52-F54 HydrophobicContact CB-CD2 4.29Å; F52-F54 HydrophobicContact CD1-CD2 4.32Å; F52-F54 HydrophobicContact CD1-CE2 4.48Å; F52-F54 PolarHBondContact O-N 3.33Å
53	P	33.8	Very low	36	Very low	116 Å²	116	109.9 Å²	109.9	75%	0.753	55%	0.547	S	S	*	.	S	Bend	trans	-78.8	29.3	-174.1	34.9	-38.7	0	0	0	113.1
54	F	29.4	Very low	35.9	Very low	148 Å²	148	107.7 Å²	107.7	65%	0.649	55%	0.547	S	S	*	.			trans	-116.2	104.4	-173.4	-62.9	-72.4	0	0	0	109.7	F52 I56	F52-F54 HydrophobicContact CB-CD2 4.29Å; F52-F54 HydrophobicContact CD1-CD2 4.32Å; F52-F54 HydrophobicContact CD1-CE2 4.48Å; F52-F54 PolarHBondContact O-N 3.33Å; F54-I56 PolarHBondContact O-N 3.07Å
55	N	38.1	Very low	36	Very low	88 Å²	88	109.3 Å²	109.3	47%	0.471	55%	0.545	S	S	.	.			trans	-69.7	120.7	166.7	175.4	15.8	0	0	0	108.5	W57 S58	N55-W57 PolarHBondContact O-N 3.36Å; N55-W57 PolarHBondContact OD1-N 3.46Å; N55-W57 VanDerWaalsContact OD1-N 3.16Å; N55-S58 PolarHBondContact O-N 3.18Å; N55-S58 PolarHBondContact O-OG 3.37Å
56	I	32.1	Very low	36.1	Very low	26 Å²	26	108.2 Å²	108.2	13%	0.133	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-66.3	-30.7	-176.4	-149.7	102.6	0	0	0	112	Y38 N41 F54 S58 I59	Y38-I56 HydrophobicContact CD2-CD1 4.46Å; Y38-I56 HydrophobicContact CE2-CD1 4.15Å; N41-I56 HydrophobicContact CB-CD1 4.41Å; F54-I56 PolarHBondContact O-N 3.07Å; I56-S58 PolarHBondContact O-N 3.16Å; I56-I59 HydrophobicContact CD1-CD1 3.94Å; I56-I59 HydrophobicContact CG1-CD1 4.02Å; I56-I59 WeakPolarHBondContact O-CB 3.11Å; I56-I59 PolarHBondContact O-N 2.71Å
57	W	31.3	Very low	35.9	Very low	216 Å²	216	108.3 Å²	108.3	82%	0.818	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-75.9	-9.3	178.8	-55.3	104.7	0	0	0	113.6	N55	N55-W57 PolarHBondContact O-N 3.36Å; N55-W57 PolarHBondContact OD1-N 3.46Å; N55-W57 VanDerWaalsContact OD1-N 3.16Å
58	S	31.2	Very low	36	Very low	85 Å²	85	110.4 Å²	110.4	59%	0.594	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-108.6	16.9	169.8	74	0	0	0	0	112.5	N55 I56 D60	N55-S58 PolarHBondContact O-N 3.18Å; N55-S58 PolarHBondContact O-OG 3.37Å; I56-S58 PolarHBondContact O-N 3.16Å; S58-D60 PolarHBondContact O-N 3.15Å
59	I	32.7	Very low	35.9	Very low	57 Å²	57	110.2 Å²	110.2	29%	0.292	55%	0.551	S	S	.	*	S	Bend	trans	-78.8	108.2	162.3	-61.3	-178.7	0	0	0	106.3	Y38 I56 N61 A63	Y38-I59 HydrophobicContact CE2-CD1 4.05Å; I56-I59 HydrophobicContact CD1-CD1 3.94Å; I56-I59 HydrophobicContact CG1-CD1 4.02Å; I56-I59 WeakPolarHBondContact O-CB 3.11Å; I56-I59 PolarHBondContact O-N 2.71Å; I59-N61 PolarHBondContact O-N 2.71Å; I59-A63 HydrophobicContact CG2-CB 3.54Å
60	D	36.7	Very low	35.9	Very low	122 Å²	122	102.2 Å²	102.2	65%	0.652	52%	0.517	S	S	*	.			trans	-45.1	134.6	175.6	-117.3	-46.5	0	0	0	111.2	S58 Q62 A63	S58-D60 PolarHBondContact O-N 3.15Å; D60-Q62 HydrophobicContact CB-CB 4.39Å; D60-Q62 PolarHBondContact O-N 2.78Å; D60-A63 PolarHBondContact O-N 3.22Å
61	N	39.4	Very low	35.9	Very low	125 Å²	125	98.8 Å²	98.8	67%	0.668	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-20.6	-179	-95.5	-41.2	0	0	0	112.7	I59 A63 V64 M65	I59-N61 PolarHBondContact O-N 2.71Å; N61-A63 PolarHBondContact O-N 3.4Å; N61-V64 PolarHBondContact O-N 3.09Å; N61-M65 VanDerWaalsContact O-CB 3.27Å; N61-M65 WeakPolarHBondContact O-CB 3.09Å; N61-M65 VanDerWaalsContact O-CG 3.25Å; N61-M65 WeakPolarHBondContact O-CG 3.33Å; N61-M65 PolarHBondContact O-N 2.77Å
62	Q	33.5	Very low	36.3	Very low	124 Å²	124	94.8 Å²	94.8	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-47.5	-37.7	167.7	-64.3	-165.4	5.3	0	0	114.1	D60 M65 H66	D60-Q62 HydrophobicContact CB-CB 4.39Å; D60-Q62 PolarHBondContact O-N 2.78Å; Q62-M65 CarbonylContact O-C 3.59Å; Q62-M65 PolarHBondContact O-N 3.36Å; Q62-H66 WeakPolarHBondContact O-CA 3.17Å; Q62-H66 WeakPolarHBondContact O-CB 3.23Å; Q62-H66 PolarHBondContact O-CD2 3.3Å; Q62-H66 PolarHBondContact O-N 3.39Å
63	A	34.7	Very low	36.3	Very low	40 Å²	40	97.7 Å²	97.7	33%	0.331	49%	0.493	S	S	.	.	H	α-helix	trans	-67	-47.7	-178.1	0	0	0	0	0	112.2	I59 D60 N61 H66 L67	I59-A63 HydrophobicContact CG2-CB 3.54Å; D60-A63 PolarHBondContact O-N 3.22Å; N61-A63 PolarHBondContact O-N 3.4Å; A63-H66 PolarHBondContact O-N 2.75Å; A63-L67 PolarHBondContact O-N 2.88Å; A63-L67 VanDerWaalsContact O-N 3.15Å
64	V	39.7	Very low	36.6	Very low	86 Å²	86	93.4 Å²	93.4	52%	0.521	46%	0.463	S	S	.	.	H	α-helix	trans	-64.6	-43.9	173.9	-178.8	0	0	0	0	110	N61 H66 L67 Y68	N61-V64 PolarHBondContact O-N 3.09Å; V64-H66 VanDerWaalsContact C-N 3.26Å; V64-H66 PolarHBondContact O-N 3.44Å; V64-L67 PolarHBondContact O-N 2.64Å; V64-Y68 WeakPolarHBondContact O-CB 3.24Å; V64-Y68 PolarHBondContact O-N 2.69Å
65	M	38.6	Very low	37.2	Very low	76 Å²	76	91.1 Å²	91.1	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-65.4	-25.3	176	-71	-65.1	-79.5	0	0	113.3	N61 Q62 Y68 R69	N61-M65 VanDerWaalsContact O-CB 3.27Å; N61-M65 WeakPolarHBondContact O-CB 3.09Å; N61-M65 VanDerWaalsContact O-CG 3.25Å; N61-M65 WeakPolarHBondContact O-CG 3.33Å; N61-M65 PolarHBondContact O-N 2.77Å; Q62-M65 CarbonylContact O-C 3.59Å; Q62-M65 PolarHBondContact O-N 3.36Å; M65-Y68 HydrophobicContact CE-CD1 4.22Å; M65-Y68 HydrophobicContact SD-CD1 3.85Å; M65-Y68 HydrophobicContact SD-CE1 4.46Å; M65-R69 WeakPolarHBondContact O-CB 3.45Å; M65-R69 WeakPolarHBondContact O-CD 3.4Å; M65-R69 WeakPolarHBondContact O-CG 3.46Å; M65-R69 PolarHBondContact O-N 3.11Å
66	H	38.1	Very low	37.1	Very low	111 Å²	111	95.3 Å²	95.3	51%	0.514	46%	0.459	S	S	.	.	H	α-helix	trans	-74.8	-42.4	173.3	-91.1	-65.7	0	0	0	111.2	Q62 A63 V64 Y68 A70	Q62-H66 WeakPolarHBondContact O-CA 3.17Å; Q62-H66 WeakPolarHBondContact O-CB 3.23Å; Q62-H66 PolarHBondContact O-CD2 3.3Å; Q62-H66 PolarHBondContact O-N 3.39Å; A63-H66 PolarHBondContact O-N 2.75Å; V64-H66 VanDerWaalsContact C-N 3.26Å; V64-H66 PolarHBondContact O-N 3.44Å; H66-Y68 VanDerWaalsContact C-N 3.35Å; H66-A70 WeakPolarHBondContact O-CB 3.03Å; H66-A70 PolarHBondContact O-N 3.2Å
67	L	37.9	Very low	37.2	Very low	109 Å²	109	99.2 Å²	99.2	57%	0.571	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-44.7	171.2	-70.3	167.1	0	0	0	111.1	A63 V64 A70 G71	A63-L67 PolarHBondContact O-N 2.88Å; A63-L67 VanDerWaalsContact O-N 3.15Å; V64-L67 PolarHBondContact O-N 2.64Å; L67-A70 PolarHBondContact O-N 2.98Å; L67-G71 PolarHBondContact O-N 3.4Å
68	Y	43.3	Very low	37.3	Very low	100 Å²	100	93.2 Å²	93.2	39%	0.392	46%	0.46	S	S	.	.	H	α-helix	trans	-61.8	-53.3	176.1	178.6	-117.9	0	0	0	112.8	V64 M65 H66 A70 G71 I72 L242	V64-Y68 WeakPolarHBondContact O-CB 3.24Å; V64-Y68 PolarHBondContact O-N 2.69Å; M65-Y68 HydrophobicContact CE-CD1 4.22Å; M65-Y68 HydrophobicContact SD-CD1 3.85Å; M65-Y68 HydrophobicContact SD-CE1 4.46Å; H66-Y68 VanDerWaalsContact C-N 3.35Å; Y68-A70 VanDerWaalsContact C-N 3.27Å; Y68-A70 PolarHBondContact O-N 3.28Å; Y68-G71 PolarHBondContact O-N 2.92Å; Y68-G71 VanDerWaalsContact O-N 3.16Å; Y68-I72 HydrophobicContact CD1-CD1 4.07Å; Y68-I72 HydrophobicContact CD2-CD1 4.37Å; Y68-I72 HydrophobicContact CE1-CD1 3.7Å; Y68-I72 HydrophobicContact CE2-CD1 4.02Å; Y68-I72 HydrophobicContact CG-CD1 4.39Å; Y68-I72 WeakPolarHBondContact O-CG1 3.33Å; Y68-I72 PolarHBondContact O-N 3.03Å; Y68-L242 HydrophobicContact CE2-CD1 3.93Å; Y68-L242 HydrophobicContact CE2-CD2 4.02Å; Y68-L242 VanDerWaalsContact OH-CD2 3.28Å; Y68-L242 WeakPolarHBondContact OH-CD2 3.47Å
69	R	38.6	Very low	37.4	Very low	151 Å²	151	95.7 Å²	95.7	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-35.9	176.1	-75.5	167.9	172.7	177.2	-2.6	112.2	M65 K73	M65-R69 WeakPolarHBondContact O-CB 3.45Å; M65-R69 WeakPolarHBondContact O-CD 3.4Å; M65-R69 WeakPolarHBondContact O-CG 3.46Å; M65-R69 PolarHBondContact O-N 3.11Å; R69-K73 WeakPolarHBondContact O-CB 3.36Å; R69-K73 PolarHBondContact O-N 2.85Å
70	A	39.5	Very low	37.2	Very low	21 Å²	21	99.3 Å²	99.3	17%	0.174	48%	0.481	C	S	.	.	H	α-helix	trans	-67.7	-44.2	175.6	0	0	0	0	0	111.6	L22 H66 L67 Y68 I72 K73 Q74	L22-A70 HydrophobicContact CD1-CB 3.61Å; L22-A70 HydrophobicContact CD2-CB 3.77Å; L22-A70 HydrophobicContact CG-CB 4.35Å; H66-A70 WeakPolarHBondContact O-CB 3.03Å; H66-A70 PolarHBondContact O-N 3.2Å; L67-A70 PolarHBondContact O-N 2.98Å; Y68-A70 VanDerWaalsContact C-N 3.27Å; Y68-A70 PolarHBondContact O-N 3.28Å; A70-I72 PolarHBondContact O-N 3.33Å; A70-K73 PolarHBondContact O-N 3.48Å; A70-Q74 WeakPolarHBondContact O-CB 3.47Å; A70-Q74 PolarHBondContact O-N 2.83Å
71	G	36.5	Very low	36.8	Very low	28 Å²	28	98.9 Å²	98.9	29%	0.289	48%	0.475	S	S	.	.	H	α-helix	trans	-55.9	-47.2	172	0	0	0	0	0	112.8	L67 Y68 Q74 R75	L67-G71 PolarHBondContact O-N 3.4Å; Y68-G71 PolarHBondContact O-N 2.92Å; Y68-G71 VanDerWaalsContact O-N 3.16Å; G71-Q74 PolarHBondContact O-N 2.88Å; G71-R75 WeakPolarHBondContact O-CB 3.37Å; G71-R75 PolarHBondContact O-N 3.45Å
72	I	41.3	Very low	36.3	Very low	60 Å²	60	96.8 Å²	96.8	31%	0.308	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-48	175.2	-67	166.6	0	0	0	111.2	Y68 A70 Q74 R75 R76	Y68-I72 HydrophobicContact CD1-CD1 4.07Å; Y68-I72 HydrophobicContact CD2-CD1 4.37Å; Y68-I72 HydrophobicContact CE1-CD1 3.7Å; Y68-I72 HydrophobicContact CE2-CD1 4.02Å; Y68-I72 HydrophobicContact CG-CD1 4.39Å; Y68-I72 WeakPolarHBondContact O-CG1 3.33Å; Y68-I72 PolarHBondContact O-N 3.03Å; A70-I72 PolarHBondContact O-N 3.33Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 3.26Å; I72-R75 PolarHBondContact O-N 2.92Å; I72-R76 WeakPolarHBondContact O-CG 3.42Å; I72-R76 PolarHBondContact O-N 2.92Å
73	K	35.6	Very low	36	Very low	162 Å²	162	95.9 Å²	95.9	70%	0.704	47%	0.473	S	S	*	.	H	α-helix	trans	-62.8	-35.8	-179	-165.3	174.7	-176	-179.6	0	111.9	R69 A70 H77	R69-K73 WeakPolarHBondContact O-CB 3.36Å; R69-K73 PolarHBondContact O-N 2.85Å; A70-K73 PolarHBondContact O-N 3.48Å; K73-H77 PolarHBondContact O-N 3.21Å; K73-H77 VanDerWaalsContact O-N 3.11Å
74	Q	40	Very low	35.4	Very low	27 Å²	27	101.8 Å²	101.8	13%	0.126	49%	0.491	C	S	.	.	H	α-helix	trans	-74.7	-38.8	175.1	-171	170.4	-4.6	0	0	112.6	L21 L22 A70 G71 I72 R76 H77 L78	L21-Q74 VanDerWaalsContact CD1-NE2 3.26Å; L22-Q74 HydrophobicContact CD2-CB 4.34Å; A70-Q74 WeakPolarHBondContact O-CB 3.47Å; A70-Q74 PolarHBondContact O-N 2.83Å; G71-Q74 PolarHBondContact O-N 2.88Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 3.26Å; Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 3.34Å; Q74-H77 PolarHBondContact O-N 2.88Å; Q74-L78 HydrophobicContact CG-CD1 4.09Å; Q74-L78 HydrophobicContact CG-CG 4.46Å; Q74-L78 WeakPolarHBondContact O-CB 3.38Å; Q74-L78 WeakPolarHBondContact O-CG 3.46Å; Q74-L78 PolarHBondContact O-N 3.37Å
75	R	42	Very low	34.7	Very low	100 Å²	100	105.7 Å²	105.7	38%	0.377	50%	0.503	S	S	.	.	H	α-helix	trans	-58.2	-42.5	173	-159	-167.6	-81.6	-136.4	2.6	110.3	G71 I72 H79 E243	G71-R75 WeakPolarHBondContact O-CB 3.37Å; G71-R75 PolarHBondContact O-N 3.45Å; I72-R75 PolarHBondContact O-N 2.92Å; R75-H79 PolarHBondContact O-N 3.11Å; R75-E243 IonicContact CZ-OE1 2.72Å; R75-E243 IonicContact NH1-OE1 2.64Å; R75-E243 PolarHBondContact NH1-OE1 2.89Å; R75-E243 IonicContact NH2-OE1 2.7Å
76	R	36.6	Very low	33.9	Very low	175 Å²	175	108.5 Å²	108.5	66%	0.66	53%	0.525	S	S	*	.	H	α-helix	trans	-62.3	-47	173.2	-69.7	179.7	-176.6	-169.4	0.2	113.1	I72 Q74 H79 I80	I72-R76 WeakPolarHBondContact O-CG 3.42Å; I72-R76 PolarHBondContact O-N 2.92Å; Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 3.34Å; R76-H79 PolarHBondContact O-N 3.17Å; R76-I80 WeakPolarHBondContact O-CG1 3.27Å; R76-I80 PolarHBondContact O-N 3.4Å; R76-I80 VanDerWaalsContact O-N 3.16Å
77	H	34.3	Very low	33.1	Very low	108 Å²	108	112.9 Å²	112.9	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-38.3	-179.9	-152.5	65.8	0	0	0	112.1	K73 Q74 I80 Q81	K73-H77 PolarHBondContact O-N 3.21Å; K73-H77 VanDerWaalsContact O-N 3.11Å; Q74-H77 PolarHBondContact O-N 2.88Å; H77-I80 PolarHBondContact O-N 3.33Å; H77-Q81 PolarHBondContact NE2-NE2 2.83Å; H77-Q81 WeakPolarHBondContact O-CB 3.49Å; H77-Q81 WeakPolarHBondContact O-CG 3.23Å; H77-Q81 PolarHBondContact O-N 3.4Å
78	L	34	Very low	32.4	Very low	90 Å²	90	116.5 Å²	116.5	47%	0.471	54%	0.543	S	S	.	.	H	α-helix	trans	-67	-34.7	174.4	-76.2	170.8	0	0	0	112.9	Q74 I80 Q81 S82	Q74-L78 HydrophobicContact CG-CD1 4.09Å; Q74-L78 HydrophobicContact CG-CG 4.46Å; Q74-L78 WeakPolarHBondContact O-CB 3.38Å; Q74-L78 WeakPolarHBondContact O-CG 3.46Å; Q74-L78 PolarHBondContact O-N 3.37Å; L78-I80 VanDerWaalsContact C-N 3.35Å; L78-Q81 PolarHBondContact O-N 2.91Å; L78-S82 WeakPolarHBondContact O-CB 3.37Å; L78-S82 PolarHBondContact O-N 2.85Å; L78-S82 PolarHBondContact O-OG 3.26Å
79	H	31.8	Very low	31.4	Very low	138 Å²	138	121.1 Å²	121.1	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-68.8	-32.6	173.7	-114.8	79.5	0	0	0	112.9	R75 R76 S82	R75-H79 PolarHBondContact O-N 3.11Å; R76-H79 PolarHBondContact O-N 3.17Å; H79-S82 PolarHBondContact O-OG 2.89Å
80	I	29.1	Very low	30.8	Very low	132 Å²	132	119.5 Å²	119.5	68%	0.677	57%	0.569	S	S	*	*	H	α-helix	trans	-74.6	-31.9	174.6	-65.8	167.6	0	0	0	111.3	R76 H77 L78	R76-I80 WeakPolarHBondContact O-CG1 3.27Å; R76-I80 PolarHBondContact O-N 3.4Å; R76-I80 VanDerWaalsContact O-N 3.16Å; H77-I80 PolarHBondContact O-N 3.33Å; L78-I80 VanDerWaalsContact C-N 3.35Å
81	Q	27.9	Very low	30	Very low	113 Å²	113	128.1 Å²	128.1	53%	0.528	60%	0.603	S	S	.	*	H	α-helix	trans	-92	-23.7	-178.9	-72.2	-176.1	-22.5	0	0	115.1	H77 L78 V83	H77-Q81 PolarHBondContact NE2-NE2 2.83Å; H77-Q81 WeakPolarHBondContact O-CB 3.49Å; H77-Q81 WeakPolarHBondContact O-CG 3.23Å; H77-Q81 PolarHBondContact O-N 3.4Å; L78-Q81 PolarHBondContact O-N 2.91Å; Q81-V83 PolarHBondContact O-N 3.36Å
82	S	29	Very low	29.4	Very low	81 Å²	81	131.2 Å²	131.2	57%	0.566	62%	0.62	S	S	*	*	H	α-helix	trans	-65.2	-25.1	178.5	62	0	0	0	0	112.2	L78 H79 K84	L78-S82 WeakPolarHBondContact O-CB 3.37Å; L78-S82 PolarHBondContact O-N 2.85Å; L78-S82 PolarHBondContact O-OG 3.26Å; H79-S82 PolarHBondContact O-OG 2.89Å; S82-K84 PolarHBondContact O-N 3.45Å
83	V	27	Very low	28.5	Very low	106 Å²	106	131 Å²	131	64%	0.642	62%	0.621	S	S	*	*	S	Bend	trans	-78.5	53	173.6	-164.8	0	0	0	0	111.6	Q81	Q81-V83 PolarHBondContact O-N 3.36Å
84	K	23.4	Very low	28	Very low	163 Å²	163	132.5 Å²	132.5	71%	0.709	62%	0.623	S	S	*	*	S	Bend	trans	164.5	106.8	144.9	-91	153.7	-170.4	170.8	0	114	S82	S82-K84 PolarHBondContact O-N 3.45Å
85	H	23.7	Very low	27.3	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	64%	0.641	S	S	*	*			trans	65.1	155.4	162.1	-40.2	-69.1	0	0	0	115.3
86	T	23.2	Very low	26.6	Very low	135 Å²	135	135 Å²	135	83%	0.828	64%	0.644	S	S	*	*			cis	-147.9	173.3	16.2	-37.1	0	0	0	0	111.3
87	W	20.2	Very low	26.1	Very low	203 Å²	203	133 Å²	133	77%	0.769	66%	0.656	S	S	*	*			trans	-79.3	170.2	-177.4	-83.6	44.9	0	0	0	116.4
88	W	23.6	Very low	26.1	Very low	185 Å²	185	131.6 Å²	131.6	70%	0.701	67%	0.671	S	S	*	*			trans	76.8	150.2	161.6	-47.7	113.2	0	0	0	116.8
89	R	22.7	Very low	25.9	Very low	197 Å²	197	138.5 Å²	138.5	74%	0.743	69%	0.691	S	S	*	*			cis	-153	140.2	-13.1	-116.2	175.6	-158.5	-150.7	4.5	109
90	P	25.6	Very low	25.9	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	69%	0.688	S	S	*	*			trans	-93.5	146.6	177.6	34.6	-33.7	0	0	0	113.9
91	K	23.3	Very low	25.8	Very low	202 Å²	202	133.4 Å²	133.4	88%	0.878	69%	0.69	S	S	*	*			trans	178.4	120.7	134.1	-100.4	161.4	-176.2	179.7	0	117.5
92	S	23.7	Very low	25.8	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	69%	0.687	S	S	*	*				62.7	102.5	126.5	-166	0	0	0	0	123
93	V	22.1	Very low	25.7	Very low	55 Å²	55	134.6 Å²	134.6	33%	0.333	69%	0.689	S	S	.	*			trans	-143.8	142.2	164.5	-176.6	0	0	0	0	110.6	K8 P9	K8-V93 HydrophobicContact CB-CG1 3.63Å; K8-V93 HydrophobicContact CD-CG1 3.95Å; K8-V93 HydrophobicContact CG-CG1 3.92Å; P9-V93 HydrophobicContact CG-CG1 3.98Å; P9-V93 VanDerWaalsContact O-CG1 3.24Å; P9-V93 WeakPolarHBondContact O-CG1 3.33Å
94	R	24.1	Very low	25.6	Very low	194 Å²	194	138.4 Å²	138.4	73%	0.732	69%	0.693	S	S	*	*			trans	-105.9	-136.8	-165.8	-132.7	-175.7	-177	170.2	4.8	113.9	K8 P9 L10	K8-R94 CarbonylContact C-O 3.26Å; K8-R94 HydrophobicContact CB-CB 4.41Å; K8-R94 HydrophobicContact CD-CB 4.49Å; K8-R94 CarbonylContact O-C 3.2Å; P9-R94 CarbonylContact C-O 3.38Å; P9-R94 VanDerWaalsContact C-O 3.23Å; P9-R94 VanDerWaalsContact O-O 3.07Å; L10-R94 PolarHBondContact N-O 2.91Å
95	K	25.6	Very low	25.9	Very low	117 Å²	117	139.3 Å²	139.3	51%	0.509	70%	0.697	S	S	.	*			cis	-101.8	-82.2	-1.4	-178.1	174.9	175.6	179	0	113.3	L5 P7 K8	L5-K95 PolarHBondContact O-NZ 2.84Å; P7-K95 HydrophobicContact CB-CB 4.34Å; P7-K95 HydrophobicContact CB-CD 4.03Å; K8-K95 PolarHBondContact O-N 3.18Å
96	S	27.3	Very low	26	Very low	63 Å²	63	135.5 Å²	135.5	44%	0.441	69%	0.687	S	S	.	*			cis	-157.6	152	-14.7	-69.7	0	0	0	0	107.9
97	S	26.7	Very low	26.2	Very low	132 Å²	132	137.6 Å²	137.6	92%	0.923	69%	0.687	S	S	*	*			trans	-154.3	148	176.9	60.8	0	0	0	0	115.8
98	G	33.6	Very low	26.4	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	69%	0.688	S	S	*	*			trans	-164.3	145.2	173.9	0	0	0	0	0	109.8
99	R	30	Very low	26.5	Very low	235 Å²	235	130.8 Å²	130.8	89%	0.887	69%	0.693	S	S	*	*			trans	-132.6	115.5	-159.2	-178.4	-173.7	-176.9	-165.6	2	113.4
100	T	32.3	Very low	26.7	Very low	93 Å²	93	125.9 Å²	125.9	57%	0.571	69%	0.694	S	S	*	*			trans	-146.5	128.6	164.9	48.2	0	0	0	0	110.1
101	G	27	Very low	26.6	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	70%	0.696	S	S	*	*			trans	-89.4	158	-177.2	0	0	0	0	0	114.6
102	Y	27.5	Very low	26.6	Very low	123 Å²	123	126.3 Å²	126.3	48%	0.482	69%	0.69	S	S	.	*			trans	-102.9	159.7	-179.7	-61.1	-91.8	0	0	0	111.2	K47	K47-Y102 HydrophobicContact CB-CE1 4.18Å; K47-Y102 HydrophobicContact CG-CE1 4.09Å
103	T	26.3	Very low	26.6	Very low	97 Å²	97	129.7 Å²	129.7	60%	0.595	69%	0.692	S	S	*	*			trans	-149.5	125.8	175.7	15.5	0	0	0	0	110.3	K48	K48-T103 PolarHBondContact NZ-OG1 2.81Å
104	Y	26	Very low	26.7	Very low	186 Å²	186	132.7 Å²	132.7	73%	0.729	71%	0.711	S	S	*	*			trans	-67.3	142.1	176.3	-179	-104.2	0	0	0	111.7	P106	Y104-P106 HydrophobicContact CE1-CB 4.11Å; Y104-P106 HydrophobicContact CE1-CG 4.38Å
105	K	29.5	Very low	26.7	Very low	181 Å²	181	131.8 Å²	131.8	79%	0.787	72%	0.718	S	S	*	*			trans	-138.9	132.2	156.8	-95.2	-162.3	169.4	-165.2	0	107.2
106	P	26.7	Very low	26.5	Very low	89 Å²	89	131 Å²	131	58%	0.578	73%	0.727	S	S	*	*			trans	-66.4	142.3	174.3	28.5	-33.9	0	0	0	110.3	Y104 S108	Y104-P106 HydrophobicContact CE1-CB 4.11Å; Y104-P106 HydrophobicContact CE1-CG 4.38Å; P106-S108 PolarHBondContact O-N 3.43Å; P106-S108 VanDerWaalsContact O-N 3.07Å
107	Q	26.7	Very low	26.4	Very low	179 Å²	179	133 Å²	133	84%	0.836	74%	0.741	S	S	*	*			trans	-78.4	89.1	178	-72.1	174.2	-82.4	0	0	110.6	V109	Q107-V109 PolarHBondContact O-N 3.36Å
108	S	25.1	Very low	26.3	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	73%	0.734	S	S	*	*			trans	-69.8	122.5	160.9	56.3	0	0	0	0	109.5	P106 A110	P106-S108 PolarHBondContact O-N 3.43Å; P106-S108 VanDerWaalsContact O-N 3.07Å; S108-A110 PolarHBondContact O-N 3.27Å
109	V	24.6	Very low	25.9	Very low	132 Å²	132	136.8 Å²	136.8	80%	0.8	73%	0.73	S	S	*	*			trans	-45	124.3	-171.6	-171.5	0	0	0	0	114.5	Q107 Q111	Q107-V109 PolarHBondContact O-N 3.36Å; V109-Q111 HydrophobicContact CG1-CG 4.17Å
110	A	26.9	Very low	25.8	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	73%	0.726	S	S	*	*			trans	-123.7	116.3	146.7	0	0	0	0	0	104.9	S108	S108-A110 PolarHBondContact O-N 3.27Å
111	Q	22.8	Very low	25.5	Very low	172 Å²	172	133.8 Å²	133.8	80%	0.804	73%	0.732	S	S	*	*				58.4	134.2	54.9	-66.3	-163.1	-9.4	0	0	113.5	V109	V109-Q111 HydrophobicContact CG1-CG 4.17Å
112	E	24.5	Very low	25.6	Very low	158 Å²	158	137.1 Å²	137.1	74%	0.738	73%	0.732	S	S	*	*			trans	66.9	130.4	-161.6	-59.6	-141.6	106.1	0	0	114.5
113	K	23.8	Very low	25.6	Very low	163 Å²	163	136.8 Å²	136.8	71%	0.709	74%	0.743	S	S	*	*			cis	-156.5	135.1	-2.5	-146.7	169.7	-170.6	133.3	0	113.6
114	V	23.4	Very low	25.5	Very low	119 Å²	119	136.1 Å²	136.1	72%	0.721	74%	0.736	S	S	*	*			trans	8.1	115.4	151.4	-172.5	0	0	0	0	118.6
115	I	25.2	Very low	25.5	Very low	174 Å²	174	135.6 Å²	135.6	89%	0.892	74%	0.74	S	S	*	*				-127.9	138.7	119	-70.3	95	0	0	0	107.6
116	S	20.8	Very low	25.4	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	74%	0.735	S	S	*	*			trans	-106.3	130.3	179.5	53.6	0	0	0	0	111.9
117	S	25.5	Very low	25.7	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	75%	0.748	S	S	*	*			trans	-157.1	123.7	142	-153.5	0	0	0	0	112.1
118	T	23.6	Very low	25.9	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	73%	0.726	S	S	*	*			trans	30.7	110	144.6	55	0	0	0	0	119.5
119	K	26.7	Very low	26.3	Very low	165 Å²	165	129.2 Å²	129.2	72%	0.717	72%	0.716	S	S	*	*			trans	-46.4	147.7	157.2	-84.3	-178.5	165.1	-177.7	0	112.7	E121	K119-E121 HydrophobicContact CD-CB 4.45Å; K119-E121 IonicContact NZ-OE1 2.71Å; K119-E121 PolarHBondContact NZ-OE1 3.01Å
120	S	27	Very low	27.1	Very low	116 Å²	116	127.5 Å²	127.5	81%	0.811	71%	0.705	S	S	*	*			trans	-94.1	134.3	132.3	-60.5	0	0	0	0	107.4
121	E	26	Very low	27.9	Very low	149 Å²	149	128.4 Å²	128.4	70%	0.696	70%	0.697	S	S	*	*			trans	-106.2	88.5	-173.3	-173.5	145.3	-114.4	0	0	110.6	K119	K119-E121 HydrophobicContact CD-CB 4.45Å; K119-E121 IonicContact NZ-OE1 2.71Å; K119-E121 PolarHBondContact NZ-OE1 3.01Å
122	I	29.7	Very low	29.2	Very low	139 Å²	139	126 Å²	126	71%	0.713	68%	0.684	S	S	*	*			trans	-103.6	132.3	169.7	-61.5	177.1	0	0	0	107.9	D124	I122-D124 VanDerWaalsContact C-N 3.28Å; I122-D124 PolarHBondContact O-N 3.14Å
123	T	26.4	Very low	31.4	Very low	116 Å²	116	123.7 Å²	123.7	71%	0.712	67%	0.674	S	S	*	*			trans	-84.7	60.7	-171.2	-42.4	0	0	0	0	112.4	Q125	T123-Q125 HydrophobicContact CG2-CG 4.05Å; T123-Q125 PolarHBondContact O-N 3.42Å
124	D	24.7	Very low	33.3	Very low	83 Å²	83	116.9 Å²	116.9	44%	0.444	65%	0.646	S	S	.	*			trans	-74.3	67.2	169.5	-84.5	-57.6	0	0	0	111.1	I122 T126 E127 K180	I122-D124 VanDerWaalsContact C-N 3.28Å; I122-D124 PolarHBondContact O-N 3.14Å; D124-T126 PolarHBondContact O-N 3Å; D124-E127 PolarHBondContact O-N 2.83Å; D124-K180 IonicContact OD1-NZ 2.6Å; D124-K180 PolarHBondContact OD1-NZ 2.88Å
125	Q	25.4	Very low	34.9	Very low	175 Å²	175	114.5 Å²	114.5	82%	0.818	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	42.1	166	-75.6	-165.3	6.8	0	0	112.6	T123	T123-Q125 HydrophobicContact CG2-CG 4.05Å; T123-Q125 PolarHBondContact O-N 3.42Å
126	T	27.9	Very low	37	Very low	112 Å²	112	112.3 Å²	112.3	69%	0.687	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	58.9	155.1	38	0	0	0	0	108.3	D124 S128	D124-T126 PolarHBondContact O-N 3Å; T126-S128 PolarHBondContact O-N 3.43Å
127	E	32.4	Very low	39.3	Very low	182 Å²	182	111.5 Å²	111.5	85%	0.85	59%	0.594	S	S	*	*			trans	-53.8	110.7	153.7	-81.6	-162.1	145.8	0	0	107	D124 S129	D124-E127 PolarHBondContact O-N 2.83Å; E127-S129 PolarHBondContact O-N 3.47Å
128	S	32	Very low	41.2	Very low	53 Å²	53	108.1 Å²	108.1	37%	0.371	57%	0.567	S	S	.	*			trans	-49.3	132.1	-166.4	45.3	0	0	0	0	111.4	T126 V130 K177	T126-S128 PolarHBondContact O-N 3.43Å; S128-V130 PolarHBondContact O-N 2.89Å; S128-K177 PolarHBondContact OG-NZ 3.03Å; S128-K177 VanDerWaalsContact OG-NZ 3.08Å
129	S	33.7	Very low	43.1	Very low	82 Å²	82	107.6 Å²	107.6	57%	0.573	56%	0.556	S	S	*	*			trans	-57.9	90	149.7	-175.8	0	0	0	0	106.1	E127 D131	E127-S129 PolarHBondContact O-N 3.47Å; S129-D131 WeakPolarHBondContact CB-OD1 3.25Å; S129-D131 PolarHBondContact O-N 2.74Å; S129-D131 PolarHBondContact OG-OD1 2.95Å
130	V	41.4	Very low	45.2	Very low	95 Å²	95	103.2 Å²	103.2	58%	0.576	54%	0.543	S	S	*	.			trans	-66.8	91.3	164.7	176.9	0	0	0	0	103	S128 F132	S128-V130 PolarHBondContact O-N 2.89Å; V130-F132 WeakPolarHBondContact O-CD2 3.46Å; V130-F132 PolarHBondContact O-N 2.85Å
131	D	43.9	Very low	47.1	Very low	112 Å²	112	98.3 Å²	98.3	60%	0.599	51%	0.508	S	S	*	.			trans	-55.1	117.8	-153.8	-90.5	-31.9	0	0	0	109.8	S129 E133 P134	S129-D131 WeakPolarHBondContact CB-OD1 3.25Å; S129-D131 PolarHBondContact O-N 2.74Å; S129-D131 PolarHBondContact OG-OD1 2.95Å; D131-E133 PolarHBondContact O-N 3.11Å; D131-P134 WeakPolarHBondContact O-CD 3.38Å
132	F	50	Low	49.1	Very low	123 Å²	123	93.2 Å²	93.2	54%	0.539	49%	0.487	S	S	.	.	S	Bend	trans	-71.5	3.5	-173.5	-74.1	-89.6	0	0	0	111.8	V130 I135 K136	V130-F132 WeakPolarHBondContact O-CD2 3.46Å; V130-F132 PolarHBondContact O-N 2.85Å; F132-I135 HydrophobicContact CD1-CD1 4.41Å; F132-K136 HydrophobicContact CB-CD 4.36Å; F132-K136 VanDerWaalsContact O-CB 3.31Å; F132-K136 WeakPolarHBondContact O-CB 3.45Å; F132-K136 WeakPolarHBondContact O-CD 3.38Å; F132-K136 WeakPolarHBondContact O-CG 3.27Å; F132-K136 PolarHBondContact O-N 3.33Å
133	E	69.1	Low	50.9	Low	109 Å²	109	88.7 Å²	88.7	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-54	-179.2	-123	-142.8	113.4	0	0	112.9	D131 I135 K136 R137	D131-E133 PolarHBondContact O-N 3.11Å; E133-I135 VanDerWaalsContact C-N 3.27Å; E133-I135 PolarHBondContact O-N 2.88Å; E133-K136 CarbonylContact O-C 3.57Å; E133-K136 PolarHBondContact O-N 3.44Å; E133-K136 VanDerWaalsContact O-N 3.11Å; E133-R137 WeakPolarHBondContact O-CB 3.33Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.19Å; E133-R137 IonicContact OE1-CZ 3.44Å; E133-R137 IonicContact OE1-NE 2.69Å; E133-R137 PolarHBondContact OE1-NE 2.89Å; E133-R137 IonicContact OE1-NH2 2.64Å; E133-R137 PolarHBondContact OE1-NH2 3.39Å; E133-R137 IonicContact OE2-CZ 3.93Å; E133-R137 IonicContact OE2-NH2 2.77Å; E133-R137 PolarHBondContact OE2-NH2 2.85Å
134	P	63.9	Low	52.9	Low	20 Å²	20	86 Å²	86	13%	0.13	44%	0.444	C	S	.	.	H	α-helix	trans	-60.4	-36.8	178.8	-23.9	37.6	0	0	0	112.4	D131 R137 I138 I162 M166	D131-P134 WeakPolarHBondContact O-CD 3.38Å; P134-R137 PolarHBondContact O-N 3.11Å; P134-I138 WeakPolarHBondContact O-CG1 3.47Å; P134-I138 PolarHBondContact O-N 3.47Å; P134-I162 HydrophobicContact CB-CG2 3.96Å; P134-M166 HydrophobicContact CB-CG 3.63Å; P134-M166 HydrophobicContact CB-SD 4.19Å; P134-M166 HydrophobicContact CG-CG 4.29Å
135	I	58.4	Low	54.7	Low	69 Å²	69	83.1 Å²	83.1	35%	0.354	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-44.1	175.3	-60.1	176.2	0	0	0	111	F132 E133 I138 Q139	F132-I135 HydrophobicContact CD1-CD1 4.41Å; E133-I135 VanDerWaalsContact C-N 3.27Å; E133-I135 PolarHBondContact O-N 2.88Å; I135-I138 PolarHBondContact O-N 3.32Å; I135-Q139 WeakPolarHBondContact O-CG 3.32Å; I135-Q139 PolarHBondContact O-N 3.48Å
136	K	69.2	Low	56.1	Low	128 Å²	128	77.9 Å²	77.9	56%	0.557	40%	0.402	S	S	*	.	H	α-helix	trans	-64.8	-40.1	174.3	-74.2	166.7	-177.1	173.7	0	111.7	F132 E133 Q139 T140	F132-K136 HydrophobicContact CB-CD 4.36Å; F132-K136 VanDerWaalsContact O-CB 3.31Å; F132-K136 WeakPolarHBondContact O-CB 3.45Å; F132-K136 WeakPolarHBondContact O-CD 3.38Å; F132-K136 WeakPolarHBondContact O-CG 3.27Å; F132-K136 PolarHBondContact O-N 3.33Å; E133-K136 CarbonylContact O-C 3.57Å; E133-K136 PolarHBondContact O-N 3.44Å; E133-K136 VanDerWaalsContact O-N 3.11Å; K136-Q139 WeakPolarHBondContact O-CB 3.49Å; K136-Q139 PolarHBondContact O-N 3.28Å; K136-T140 PolarHBondContact O-N 3.27Å; K136-T140 PolarHBondContact O-OG1 3.46Å
137	R	67.9	Low	58.1	Low	83 Å²	83	77.7 Å²	77.7	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-58.5	-48.6	173.9	-69.5	171.1	-170.6	-172.5	2	110.2	E133 P134 Q139 T140 L141 I162 E165	E133-R137 WeakPolarHBondContact O-CB 3.33Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.19Å; E133-R137 IonicContact OE1-CZ 3.44Å; E133-R137 IonicContact OE1-NE 2.69Å; E133-R137 PolarHBondContact OE1-NE 2.89Å; E133-R137 IonicContact OE1-NH2 2.64Å; E133-R137 PolarHBondContact OE1-NH2 3.39Å; E133-R137 IonicContact OE2-CZ 3.93Å; E133-R137 IonicContact OE2-NH2 2.77Å; E133-R137 PolarHBondContact OE2-NH2 2.85Å; P134-R137 PolarHBondContact O-N 3.11Å; R137-Q139 PolarHBondContact O-N 2.94Å; R137-T140 WeakPolarHBondContact CA-OG1 3.49Å; R137-T140 PolarHBondContact O-N 3.04Å; R137-T140 PolarHBondContact O-OG1 3.34Å; R137-L141 WeakPolarHBondContact O-CG 3.3Å; R137-L141 PolarHBondContact O-N 3.3Å; R137-I162 HydrophobicContact CB-CD1 3.75Å; R137-I162 HydrophobicContact CB-CG1 4.45Å; R137-E165 IonicContact CZ-OE1 3.3Å; R137-E165 IonicContact CZ-OE2 2.69Å; R137-E165 IonicContact NH1-OE1 3.4Å; R137-E165 PolarHBondContact NH1-OE1 2.8Å; R137-E165 IonicContact NH1-OE2 3.82Å; R137-E165 PolarHBondContact NH1-OE2 3.2Å
138	I	65.9	Low	59.7	Low	33 Å²	33	77.7 Å²	77.7	17%	0.169	40%	0.397	C	S	.	.	H	α-helix	trans	-57.2	-47.2	173.2	-66.8	164	0	0	0	111	P134 I135 T140 L141 V142 L159 I162 M166 F230	P134-I138 WeakPolarHBondContact O-CG1 3.47Å; P134-I138 PolarHBondContact O-N 3.47Å; I135-I138 PolarHBondContact O-N 3.32Å; I138-T140 VanDerWaalsContact C-N 3.34Å; I138-T140 PolarHBondContact O-N 3.37Å; I138-L141 PolarHBondContact O-N 2.88Å; I138-V142 HydrophobicContact CG2-CG2 4.12Å; I138-V142 WeakPolarHBondContact O-CB 3.42Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.43Å; I138-V142 PolarHBondContact O-N 3.15Å; I138-L159 HydrophobicContact CG1-CD2 4.36Å; I138-I162 HydrophobicContact CD1-CG2 3.73Å; I138-I162 HydrophobicContact CG1-CD1 4.26Å; I138-I162 HydrophobicContact CG1-CG2 3.74Å; I138-M166 HydrophobicContact CD1-SD 4.02Å; I138-F230 HydrophobicContact CD1-CD2 4.5Å; I138-F230 HydrophobicContact CD1-CE2 3.75Å; I138-F230 HydrophobicContact CD1-CZ 3.83Å
139	Q	63.2	Low	61.5	Low	116 Å²	116	78.9 Å²	78.9	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-58.2	-44.5	177.9	-71.9	172	2.7	0	0	111.8	I135 K136 R137 V142 E143	I135-Q139 WeakPolarHBondContact O-CG 3.32Å; I135-Q139 PolarHBondContact O-N 3.48Å; K136-Q139 WeakPolarHBondContact O-CB 3.49Å; K136-Q139 PolarHBondContact O-N 3.28Å; R137-Q139 PolarHBondContact O-N 2.94Å; Q139-V142 PolarHBondContact O-N 3.22Å; Q139-E143 WeakPolarHBondContact O-CG 3.43Å; Q139-E143 PolarHBondContact O-N 3.48Å
140	T	70.7	Confident	63.2	Low	72 Å²	72	76.9 Å²	76.9	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-35.9	175.8	55	0	0	0	0	113.3	K136 R137 I138 E143 N144	K136-T140 PolarHBondContact O-N 3.27Å; K136-T140 PolarHBondContact O-OG1 3.46Å; R137-T140 WeakPolarHBondContact CA-OG1 3.49Å; R137-T140 PolarHBondContact O-N 3.04Å; R137-T140 PolarHBondContact O-OG1 3.34Å; I138-T140 VanDerWaalsContact C-N 3.34Å; I138-T140 PolarHBondContact O-N 3.37Å; T140-E143 PolarHBondContact O-N 3.39Å; T140-N144 WeakPolarHBondContact O-CB 3.44Å; T140-N144 PolarHBondContact O-N 2.81Å; T140-N144 PolarHBondContact O-ND2 3.47Å; T140-N144 PolarHBondContact O-OD1 3.24Å
141	L	67.2	Low	64.8	Low	14 Å²	14	74.7 Å²	74.7	7%	0.073	38%	0.376	C	S	.	.	H	α-helix	trans	-65.9	-42.5	174.1	-70.7	168	0	0	0	111.7	R137 I138 E143 N144 V145 I158 L159 I162	R137-L141 WeakPolarHBondContact O-CG 3.3Å; R137-L141 PolarHBondContact O-N 3.3Å; I138-L141 PolarHBondContact O-N 2.88Å; L141-E143 VanDerWaalsContact C-N 3.28Å; L141-E143 PolarHBondContact O-N 2.93Å; L141-N144 PolarHBondContact O-N 2.96Å; L141-V145 WeakPolarHBondContact O-CB 3.45Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.38Å; L141-V145 PolarHBondContact O-N 3.45Å; L141-I158 HydrophobicContact CD1-CB 4.1Å; L141-I158 HydrophobicContact CD1-CG2 3.66Å; L141-I158 HydrophobicContact CD2-CB 4.43Å; L141-I158 HydrophobicContact CD2-CD1 3.83Å; L141-I158 HydrophobicContact CD2-CG2 4.17Å; L141-L159 HydrophobicContact CD1-CD2 4.3Å; L141-I162 HydrophobicContact CD1-CD1 3.51Å
142	V	68.5	Low	65.9	Low	42 Å²	42	71.4 Å²	71.4	26%	0.255	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-35.5	176.5	169.7	0	0	0	0	111	I138 Q139 R146 L218 L226	I138-V142 HydrophobicContact CG2-CG2 4.12Å; I138-V142 WeakPolarHBondContact O-CB 3.42Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.43Å; I138-V142 PolarHBondContact O-N 3.15Å; Q139-V142 PolarHBondContact O-N 3.22Å; V142-R146 VanDerWaalsContact O-CB 3.22Å; V142-R146 WeakPolarHBondContact O-CB 3.27Å; V142-R146 PolarHBondContact O-N 3.32Å; V142-L218 HydrophobicContact CG1-CD1 3.47Å; V142-L218 VanDerWaalsContact CG1-CD1 3.47Å; V142-L226 HydrophobicContact CG2-CD1 4.15Å; V142-L226 HydrophobicContact CG2-CD2 4.16Å
143	E	67.1	Low	66.9	Low	43 Å²	43	70.4 Å²	70.4	20%	0.201	36%	0.359	C	S	.	.	H	α-helix	trans	-74.9	-39.9	172.6	-69.3	-173.5	140.9	0	0	112.9	Q139 T140 L141 V145 R146 D147 R213	Q139-E143 WeakPolarHBondContact O-CG 3.43Å; Q139-E143 PolarHBondContact O-N 3.48Å; T140-E143 PolarHBondContact O-N 3.39Å; L141-E143 VanDerWaalsContact C-N 3.28Å; L141-E143 PolarHBondContact O-N 2.93Å; E143-V145 PolarHBondContact O-N 2.74Å; E143-R146 WeakPolarHBondContact O-CB 3.26Å; E143-R146 PolarHBondContact O-N 3.26Å; E143-R146 VanDerWaalsContact O-N 3.14Å; E143-D147 PolarHBondContact O-N 3.36Å; E143-R213 IonicContact OE1-CZ 3.61Å; E143-R213 IonicContact OE1-NE 3.59Å; E143-R213 IonicContact OE1-NH1 2.81Å; E143-R213 PolarHBondContact OE1-NH1 3.25Å; E143-R213 IonicContact OE2-CZ 3.83Å; E143-R213 VanDerWaalsContact OE2-CZ 3.3Å; E143-R213 IonicContact OE2-NH1 3.2Å; E143-R213 PolarHBondContact OE2-NH1 3.4Å; E143-R213 IonicContact OE2-NH2 2.96Å; E143-R213 PolarHBondContact OE2-NH2 2.86Å
144	N	68.1	Low	67.1	Low	61 Å²	61	70.5 Å²	70.5	33%	0.326	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-38.5	177.2	-68.8	-8.6	0	0	0	112.7	T140 L141 R146 S149 I150	T140-N144 WeakPolarHBondContact O-CB 3.44Å; T140-N144 PolarHBondContact O-N 2.81Å; T140-N144 PolarHBondContact O-ND2 3.47Å; T140-N144 PolarHBondContact O-OD1 3.24Å; L141-N144 PolarHBondContact O-N 2.96Å; N144-R146 VanDerWaalsContact C-N 3.34Å; N144-S149 WeakPolarHBondContact CA-OG 3.27Å; N144-S149 WeakPolarHBondContact CB-OG 3.22Å; N144-S149 PolarHBondContact O-N 2.81Å; N144-S149 PolarHBondContact O-OG 3.1Å; N144-I150 HydrophobicContact CB-CD1 3.65Å; N144-I150 HydrophobicContact CB-CG1 4.03Å
145	V	62.3	Low	67.4	Low	21 Å²	21	69.7 Å²	69.7	13%	0.127	35%	0.354	C	S	.	.	H	α-helix	trans	-66.8	-36.5	173	170.7	0	0	0	0	111.7	L141 E143 D147 E148 V155 L218	L141-V145 WeakPolarHBondContact O-CB 3.45Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.38Å; L141-V145 PolarHBondContact O-N 3.45Å; E143-V145 PolarHBondContact O-N 2.74Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-E148 PolarHBondContact O-N 3.29Å; V145-V155 HydrophobicContact CG2-CB 4.43Å; V145-V155 HydrophobicContact CG2-CG1 4.45Å; V145-V155 HydrophobicContact CG2-CG2 3.33Å; V145-L218 HydrophobicContact CG1-CD2 4.32Å
146	R	54.6	Low	67.9	Low	65 Å²	65	71.1 Å²	71.1	25%	0.245	36%	0.355	C	S	.	.	H	α-helix	trans	-67.6	-34.4	179.3	173.9	-176.3	159	-157.9	-11	112.8	V142 E143 N144 E148 Q214 S216 L218	V142-R146 VanDerWaalsContact O-CB 3.22Å; V142-R146 WeakPolarHBondContact O-CB 3.27Å; V142-R146 PolarHBondContact O-N 3.32Å; E143-R146 WeakPolarHBondContact O-CB 3.26Å; E143-R146 PolarHBondContact O-N 3.26Å; E143-R146 VanDerWaalsContact O-N 3.14Å; N144-R146 VanDerWaalsContact C-N 3.34Å; R146-E148 PolarHBondContact O-N 3.21Å; R146-Q214 PolarHBondContact NH2-O 3.13Å; R146-S216 VanDerWaalsContact CZ-OG 3.31Å; R146-S216 PolarHBondContact NE-O 3.08Å; R146-S216 PolarHBondContact NE-OG 2.65Å; R146-S216 PolarHBondContact NH2-O 2.93Å; R146-S216 PolarHBondContact NH2-OG 3.31Å; R146-L218 HydrophobicContact CB-CD1 4.2Å; R146-L218 HydrophobicContact CB-CD2 3.67Å; R146-L218 HydrophobicContact CB-CG 3.69Å; R146-L218 HydrophobicContact CG-CD2 4.28Å; R146-L218 HydrophobicContact CG-CG 3.93Å
147	D	70.4	Confident	68	Low	108 Å²	108	69 Å²	69	58%	0.578	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	17.3	176.4	-65.9	-14.9	0	0	0	112.2	E143 V145 S149	E143-D147 PolarHBondContact O-N 3.36Å; V145-D147 VanDerWaalsContact C-N 3.34Å; D147-S149 PolarHBondContact O-N 2.96Å
148	E	65.9	Low	68.3	Low	183 Å²	183	68.3 Å²	68.3	86%	0.855	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	17.6	179.5	-59.3	-173	167.5	0	0	114.8	V145 R146	V145-E148 PolarHBondContact O-N 3.29Å; R146-E148 PolarHBondContact O-N 3.21Å
149	S	69.6	Low	68.4	Low	77 Å²	77	66.8 Å²	66.8	54%	0.538	35%	0.348	S	S	.	.			trans	-83.5	-15.6	-172.1	69.4	0	0	0	0	115.2	N144 D147	N144-S149 WeakPolarHBondContact CA-OG 3.27Å; N144-S149 WeakPolarHBondContact CB-OG 3.22Å; N144-S149 PolarHBondContact O-N 2.81Å; N144-S149 PolarHBondContact O-OG 3.1Å; D147-S149 PolarHBondContact O-N 2.96Å
150	I	69.3	Low	68.7	Low	40 Å²	40	67.6 Å²	67.6	21%	0.205	35%	0.346	C	S	.	.	S	Bend	trans	-139.3	137.1	178.6	-55	179.9	0	0	0	108.6	N144 E154 V155	N144-I150 HydrophobicContact CB-CD1 3.65Å; N144-I150 HydrophobicContact CB-CG1 4.03Å; I150-E154 HydrophobicContact CG2-CB 3.72Å; I150-V155 HydrophobicContact CB-CG2 4.44Å; I150-V155 HydrophobicContact CG2-CG2 3.79Å
151	S	75	Confident	68.8	Low	49 Å²	49	67.9 Å²	67.9	34%	0.343	35%	0.345	S	S	.	.			trans	-74.7	152	177.2	79.6	0	0	0	0	112.8	D153 E154 V155	S151-D153 PolarHBondContact O-N 2.79Å; S151-E154 WeakPolarHBondContact CB-OE1 3.24Å; S151-E154 PolarHBondContact O-N 3.23Å; S151-E154 VanDerWaalsContact O-N 3.13Å; S151-E154 VanDerWaalsContact OG-CD 3.26Å; S151-E154 WeakPolarHBondContact OG-CG 3.45Å; S151-E154 PolarHBondContact OG-N 2.89Å; S151-E154 PolarHBondContact OG-OE1 3.31Å; S151-V155 VanDerWaalsContact O-CG2 3.26Å; S151-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 PolarHBondContact O-N 3.24Å
152	L	66.7	Low	68.9	Low	43 Å²	43	67.3 Å²	67.3	23%	0.225	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-26.6	-179.8	-173.6	145.6	0	0	0	112.8	V155 R156 E225 L229	L152-V155 PolarHBondContact O-N 3.35Å; L152-R156 VanDerWaalsContact CD2-NH2 3.25Å; L152-E225 HydrophobicContact CD1-CB 4.47Å; L152-L229 HydrophobicContact CD2-CD1 3.9Å
153	D	71.1	Confident	68.6	Low	103 Å²	103	65.3 Å²	65.3	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-74.1	-33.5	175.8	-67.5	-52.1	0	0	0	112.4	S151 V155 R156 P157	S151-D153 PolarHBondContact O-N 2.79Å; D153-V155 VanDerWaalsContact C-N 3.32Å; D153-R156 IonicContact OD1-CZ 3.03Å; D153-R156 IonicContact OD1-NH1 3.95Å; D153-R156 PolarHBondContact OD1-NH1 2.84Å; D153-R156 IonicContact OD1-NH2 2.86Å; D153-R156 PolarHBondContact OD1-NH2 3.48Å; D153-P157 WeakPolarHBondContact O-CD 3.28Å
154	E	74.1	Confident	68.5	Low	111 Å²	111	67.1 Å²	67.1	52%	0.519	34%	0.339	S	S	.	.	H	α-helix	trans	-69.3	-28.3	172	-73.6	156.7	-112.5	0	0	112.8	I150 S151 P157	I150-E154 HydrophobicContact CG2-CB 3.72Å; S151-E154 WeakPolarHBondContact CB-OE1 3.24Å; S151-E154 PolarHBondContact O-N 3.23Å; S151-E154 VanDerWaalsContact O-N 3.13Å; S151-E154 VanDerWaalsContact OG-CD 3.26Å; S151-E154 WeakPolarHBondContact OG-CG 3.45Å; S151-E154 PolarHBondContact OG-N 2.89Å; S151-E154 PolarHBondContact OG-OE1 3.31Å; E154-P157 VanDerWaalsContact O-CD 3.3Å; E154-P157 WeakPolarHBondContact O-CD 3.37Å; E154-P157 VanDerWaalsContact O-CG 3.3Å; E154-P157 WeakPolarHBondContact O-CG 3.42Å
155	V	70.9	Confident	68.4	Low	3 Å²	3	67.3 Å²	67.3	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-74	-31.9	-178.2	174.3	0	0	0	0	112.3	V145 I150 S151 L152 D153 I158 L159 L226	V145-V155 HydrophobicContact CG2-CB 4.43Å; V145-V155 HydrophobicContact CG2-CG1 4.45Å; V145-V155 HydrophobicContact CG2-CG2 3.33Å; I150-V155 HydrophobicContact CB-CG2 4.44Å; I150-V155 HydrophobicContact CG2-CG2 3.79Å; S151-V155 VanDerWaalsContact O-CG2 3.26Å; S151-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 3.35Å; D153-V155 VanDerWaalsContact C-N 3.32Å; V155-I158 PolarHBondContact O-N 2.7Å; V155-I158 VanDerWaalsContact O-N 3.11Å; V155-L159 HydrophobicContact CG1-CD1 3.67Å; V155-L159 HydrophobicContact CG1-CG 3.8Å; V155-L159 PolarHBondContact O-N 2.9Å; V155-L226 HydrophobicContact CG1-CD1 4.49Å
156	R	69	Low	68.5	Low	99 Å²	99	69.2 Å²	69.2	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-53.4	-54	-179.3	-69.2	-169	-165.2	120.3	19	114.3	L152 D153 I158 L159 R160 L229	L152-R156 VanDerWaalsContact CD2-NH2 3.25Å; D153-R156 IonicContact OD1-CZ 3.03Å; D153-R156 IonicContact OD1-NH1 3.95Å; D153-R156 PolarHBondContact OD1-NH1 2.84Å; D153-R156 IonicContact OD1-NH2 2.86Å; D153-R156 PolarHBondContact OD1-NH2 3.48Å; R156-I158 PolarHBondContact O-N 3.44Å; R156-L159 PolarHBondContact O-N 2.69Å; R156-R160 PolarHBondContact O-N 3Å; R156-L229 HydrophobicContact CG-CD1 4.06Å; R156-L229 HydrophobicContact CG-CD2 4.43Å
157	P	70.9	Confident	68.7	Low	83 Å²	83	67 Å²	67	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-30.4	178.4	23.8	-34.8	0	0	0	112.8	D153 E154 N161	D153-P157 WeakPolarHBondContact O-CD 3.28Å; E154-P157 VanDerWaalsContact O-CD 3.3Å; E154-P157 WeakPolarHBondContact O-CD 3.37Å; E154-P157 VanDerWaalsContact O-CG 3.3Å; E154-P157 WeakPolarHBondContact O-CG 3.42Å; P157-N161 WeakPolarHBondContact O-CB 3.43Å; P157-N161 PolarHBondContact O-N 3.27Å
158	I	73.4	Confident	68.3	Low	68 Å²	68	66 Å²	66	35%	0.349	33%	0.331	S	S	.	.	H	α-helix	trans	-74.6	-42.6	179.2	-42.1	174	0	0	0	110.8	L141 V155 R156 R160 N161 I162	L141-I158 HydrophobicContact CD1-CB 4.1Å; L141-I158 HydrophobicContact CD1-CG2 3.66Å; L141-I158 HydrophobicContact CD2-CB 4.43Å; L141-I158 HydrophobicContact CD2-CD1 3.83Å; L141-I158 HydrophobicContact CD2-CG2 4.17Å; V155-I158 PolarHBondContact O-N 2.7Å; V155-I158 VanDerWaalsContact O-N 3.11Å; R156-I158 PolarHBondContact O-N 3.44Å; I158-R160 VanDerWaalsContact C-N 3.31Å; I158-R160 PolarHBondContact O-N 3.15Å; I158-N161 PolarHBondContact O-N 3.03Å; I158-I162 HydrophobicContact CG2-CD1 4.05Å; I158-I162 WeakPolarHBondContact O-CB 3.37Å; I158-I162 VanDerWaalsContact O-CG1 3.32Å; I158-I162 WeakPolarHBondContact O-CG1 3.1Å; I158-I162 PolarHBondContact O-N 2.95Å
159	L	67.7	Low	68	Low	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-36.1	172.8	-70.9	176.8	0	0	0	112.4	I138 L141 V155 R156 S163 L226 F230	I138-L159 HydrophobicContact CG1-CD2 4.36Å; L141-L159 HydrophobicContact CD1-CD2 4.3Å; V155-L159 HydrophobicContact CG1-CD1 3.67Å; V155-L159 HydrophobicContact CG1-CG 3.8Å; V155-L159 PolarHBondContact O-N 2.9Å; R156-L159 PolarHBondContact O-N 2.69Å; L159-S163 WeakPolarHBondContact O-CB 3.46Å; L159-S163 PolarHBondContact O-N 3.24Å; L159-S163 PolarHBondContact O-OG 3.02Å; L159-L226 HydrophobicContact CD1-CD2 3.72Å; L159-L226 HydrophobicContact CD1-CG 3.88Å; L159-L226 HydrophobicContact CD2-CD2 4.35Å; L159-F230 HydrophobicContact CB-CD2 4.43Å; L159-F230 HydrophobicContact CD1-CB 4.49Å; L159-F230 HydrophobicContact CD2-CD2 4.15Å
160	R	70.7	Confident	67.3	Low	133 Å²	133	60.8 Å²	60.8	50%	0.502	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-45.2	173.4	-171.3	175.1	176.8	-159.5	-1.8	111.8	R156 I158 S163 Q164	R156-R160 PolarHBondContact O-N 3Å; I158-R160 VanDerWaalsContact C-N 3.31Å; I158-R160 PolarHBondContact O-N 3.15Å; R160-S163 WeakPolarHBondContact CA-OG 3.48Å; R160-S163 PolarHBondContact O-N 3.04Å; R160-S163 PolarHBondContact O-OG 3.24Å; R160-S163 VanDerWaalsContact O-OG 3.07Å; R160-Q164 WeakPolarHBondContact O-CG 3.5Å; R160-Q164 PolarHBondContact O-N 3.46Å
161	N	73.2	Confident	66.7	Low	77 Å²	77	59.3 Å²	59.3	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-46.1	174.6	-172.1	90.2	0	0	0	111.3	P157 I158 S163 Q164 E165	P157-N161 WeakPolarHBondContact O-CB 3.43Å; P157-N161 PolarHBondContact O-N 3.27Å; I158-N161 PolarHBondContact O-N 3.03Å; N161-S163 PolarHBondContact O-N 3.23Å; N161-Q164 CarbonylContact O-C 3.51Å; N161-Q164 WeakPolarHBondContact O-CA 3.25Å; N161-Q164 WeakPolarHBondContact O-CB 3.15Å; N161-Q164 PolarHBondContact O-N 3.11Å; N161-Q164 VanDerWaalsContact O-N 3.11Å; N161-E165 PolarHBondContact ND2-OE1 3.28Å; N161-E165 VanDerWaalsContact ND2-OE1 3.09Å; N161-E165 WeakPolarHBondContact O-CG 3.3Å; N161-E165 PolarHBondContact O-N 3.07Å
162	I	68.9	Low	65.9	Low	3 Å²	3	62.1 Å²	62.1	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-40.1	178.8	-72.8	165.9	0	0	0	112.1	P134 R137 I138 L141 I158 Q164 E165 M166	P134-I162 HydrophobicContact CB-CG2 3.96Å; R137-I162 HydrophobicContact CB-CD1 3.75Å; R137-I162 HydrophobicContact CB-CG1 4.45Å; I138-I162 HydrophobicContact CD1-CG2 3.73Å; I138-I162 HydrophobicContact CG1-CD1 4.26Å; I138-I162 HydrophobicContact CG1-CG2 3.74Å; L141-I162 HydrophobicContact CD1-CD1 3.51Å; I158-I162 HydrophobicContact CG2-CD1 4.05Å; I158-I162 WeakPolarHBondContact O-CB 3.37Å; I158-I162 VanDerWaalsContact O-CG1 3.32Å; I158-I162 WeakPolarHBondContact O-CG1 3.1Å; I158-I162 PolarHBondContact O-N 2.95Å; I162-Q164 VanDerWaalsContact C-N 3.28Å; I162-Q164 PolarHBondContact O-N 2.92Å; I162-E165 PolarHBondContact O-N 2.93Å; I162-M166 HydrophobicContact CG2-CG 4.36Å; I162-M166 HydrophobicContact CG2-SD 4.1Å; I162-M166 WeakPolarHBondContact O-CB 3.18Å; I162-M166 VanDerWaalsContact O-CG 3.3Å; I162-M166 WeakPolarHBondContact O-CG 3.12Å; I162-M166 PolarHBondContact O-N 2.94Å
163	S	62.3	Low	65.3	Low	0 Å²	0	61 Å²	61	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-25.1	175.3	50.3	0	0	0	0	112.6	L159 R160 N161 V167 N237	L159-S163 WeakPolarHBondContact O-CB 3.46Å; L159-S163 PolarHBondContact O-N 3.24Å; L159-S163 PolarHBondContact O-OG 3.02Å; R160-S163 WeakPolarHBondContact CA-OG 3.48Å; R160-S163 PolarHBondContact O-N 3.04Å; R160-S163 PolarHBondContact O-OG 3.24Å; R160-S163 VanDerWaalsContact O-OG 3.07Å; N161-S163 PolarHBondContact O-N 3.23Å; S163-V167 WeakPolarHBondContact O-CB 3.26Å; S163-V167 VanDerWaalsContact O-CG2 3.22Å; S163-V167 WeakPolarHBondContact O-CG2 3.37Å; S163-V167 PolarHBondContact O-N 2.9Å; S163-V167 VanDerWaalsContact O-N 3.11Å; S163-N237 PolarHBondContact OG-ND2 2.64Å
164	Q	63.6	Low	64.2	Low	81 Å²	81	58.7 Å²	58.7	38%	0.379	31%	0.308	S	S	.	.	H	α-helix	trans	-70.4	-47.4	167.1	-70.7	178.3	-29.8	0	0	111.5	R160 N161 I162 M166 V167 Q168 N237	R160-Q164 WeakPolarHBondContact O-CG 3.5Å; R160-Q164 PolarHBondContact O-N 3.46Å; N161-Q164 CarbonylContact O-C 3.51Å; N161-Q164 WeakPolarHBondContact O-CA 3.25Å; N161-Q164 WeakPolarHBondContact O-CB 3.15Å; N161-Q164 PolarHBondContact O-N 3.11Å; N161-Q164 VanDerWaalsContact O-N 3.11Å; I162-Q164 VanDerWaalsContact C-N 3.28Å; I162-Q164 PolarHBondContact O-N 2.92Å; Q164-M166 VanDerWaalsContact C-N 3.31Å; Q164-M166 PolarHBondContact O-N 2.99Å; Q164-V167 PolarHBondContact O-N 3.4Å; Q164-Q168 WeakPolarHBondContact O-CB 3.3Å; Q164-Q168 PolarHBondContact O-N 3.5Å; Q164-N237 HydrophobicContact CG-CB 4.37Å; Q164-N237 VanDerWaalsContact CG-CG 3.42Å; Q164-N237 WeakPolarHBondContact CG-ND2 3.21Å; Q164-N237 VanDerWaalsContact CG-OD1 3.24Å; Q164-N237 WeakPolarHBondContact CG-OD1 3.38Å; Q164-N237 PolarHBondContact NE2-OD1 3Å
165	E	67.1	Low	63.1	Low	65 Å²	65	58.4 Å²	58.4	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-42.5	174	-69.2	172.5	153.1	0	0	112.1	R137 N161 I162 Q168 G169	R137-E165 IonicContact CZ-OE1 3.3Å; R137-E165 IonicContact CZ-OE2 2.69Å; R137-E165 IonicContact NH1-OE1 3.4Å; R137-E165 PolarHBondContact NH1-OE1 2.8Å; R137-E165 IonicContact NH1-OE2 3.82Å; R137-E165 PolarHBondContact NH1-OE2 3.2Å; N161-E165 PolarHBondContact ND2-OE1 3.28Å; N161-E165 VanDerWaalsContact ND2-OE1 3.09Å; N161-E165 WeakPolarHBondContact O-CG 3.3Å; N161-E165 PolarHBondContact O-N 3.07Å; I162-E165 PolarHBondContact O-N 2.93Å; E165-Q168 PolarHBondContact O-N 2.91Å; E165-G169 PolarHBondContact O-N 3.22Å
166	M	64.5	Low	62.2	Low	60 Å²	60	64.7 Å²	64.7	30%	0.296	34%	0.335	S	S	.	.	H	α-helix	trans	-69.2	-35.6	177.8	-73.9	-178.5	66.7	0	0	113	P134 I138 I162 Q164 V170 F230	P134-M166 HydrophobicContact CB-CG 3.63Å; P134-M166 HydrophobicContact CB-SD 4.19Å; P134-M166 HydrophobicContact CG-CG 4.29Å; I138-M166 HydrophobicContact CD1-SD 4.02Å; I162-M166 HydrophobicContact CG2-CG 4.36Å; I162-M166 HydrophobicContact CG2-SD 4.1Å; I162-M166 WeakPolarHBondContact O-CB 3.18Å; I162-M166 VanDerWaalsContact O-CG 3.3Å; I162-M166 WeakPolarHBondContact O-CG 3.12Å; I162-M166 PolarHBondContact O-N 2.94Å; Q164-M166 VanDerWaalsContact C-N 3.31Å; Q164-M166 PolarHBondContact O-N 2.99Å; M166-V170 VanDerWaalsContact O-CG2 3.27Å; M166-V170 WeakPolarHBondContact O-CG2 3.3Å; M166-V170 PolarHBondContact O-N 3.06Å; M166-F230 HydrophobicContact SD-CE2 4.46Å; M166-F230 HydrophobicContact SD-CZ 3.98Å
167	V	58.4	Low	61	Low	18 Å²	18	65.2 Å²	65.2	11%	0.109	34%	0.341	C	S	.	.	H	α-helix	trans	-68.6	-48	173.4	166.7	0	0	0	0	109.6	S163 Q164 G169 V170 I171 L234 N237 V238	S163-V167 WeakPolarHBondContact O-CB 3.26Å; S163-V167 VanDerWaalsContact O-CG2 3.22Å; S163-V167 WeakPolarHBondContact O-CG2 3.37Å; S163-V167 PolarHBondContact O-N 2.9Å; S163-V167 VanDerWaalsContact O-N 3.11Å; Q164-V167 PolarHBondContact O-N 3.4Å; V167-G169 PolarHBondContact O-N 3.4Å; V167-V170 PolarHBondContact O-N 2.9Å; V167-V170 VanDerWaalsContact O-N 3.11Å; V167-I171 HydrophobicContact CG1-CD1 3.59Å; V167-I171 HydrophobicContact CG1-CG1 4.37Å; V167-I171 WeakPolarHBondContact O-CD1 3.46Å; V167-I171 VanDerWaalsContact O-CG1 3.23Å; V167-I171 WeakPolarHBondContact O-CG1 3.38Å; V167-I171 PolarHBondContact O-N 3.09Å; V167-L234 HydrophobicContact CG2-CD1 3.79Å; V167-N237 HydrophobicContact CG2-CB 4.32Å; V167-V238 HydrophobicContact CG2-CG2 3.59Å
168	Q	61.2	Low	59.5	Low	89 Å²	89	64 Å²	64	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-45.9	178.2	-170.1	63.7	19.3	0	0	112.7	Q164 E165 V170 I171 E172	Q164-Q168 WeakPolarHBondContact O-CB 3.3Å; Q164-Q168 PolarHBondContact O-N 3.5Å; E165-Q168 PolarHBondContact O-N 2.91Å; Q168-V170 VanDerWaalsContact C-N 3.27Å; Q168-V170 PolarHBondContact O-N 3.36Å; Q168-I171 WeakPolarHBondContact O-CA 3.49Å; Q168-I171 WeakPolarHBondContact O-CB 3.22Å; Q168-I171 PolarHBondContact O-N 3.3Å; Q168-E172 HydrophobicContact CG-CG 4.33Å; Q168-E172 VanDerWaalsContact CG-OE1 3.31Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 2.83Å; Q168-E172 PolarHBondContact O-N 2.99Å
169	G	60	Low	58.2	Low	42 Å²	42	64.2 Å²	64.2	43%	0.433	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-26.3	176.6	0	0	0	0	0	114	E165 V167 G173	E165-G169 PolarHBondContact O-N 3.22Å; V167-G169 PolarHBondContact O-N 3.4Å; G169-G173 PolarHBondContact O-N 2.9Å; G169-G173 VanDerWaalsContact O-N 3.12Å
170	V	55.9	Low	57.4	Low	108 Å²	108	67.8 Å²	67.8	66%	0.655	36%	0.357	S	S	*	.	H	α-helix	trans	-75.2	-33.6	169.8	168.3	0	0	0	0	111.3	M166 V167 Q168 S174	M166-V170 VanDerWaalsContact O-CG2 3.27Å; M166-V170 WeakPolarHBondContact O-CG2 3.3Å; M166-V170 PolarHBondContact O-N 3.06Å; V167-V170 PolarHBondContact O-N 2.9Å; V167-V170 VanDerWaalsContact O-N 3.11Å; Q168-V170 VanDerWaalsContact C-N 3.27Å; Q168-V170 PolarHBondContact O-N 3.36Å; V170-S174 WeakPolarHBondContact O-CB 3.35Å; V170-S174 PolarHBondContact O-N 3.14Å; V170-S174 PolarHBondContact O-OG 3.17Å
171	I	56.4	Low	55.6	Low	9 Å²	9	67.6 Å²	67.6	5%	0.046	36%	0.36	C	S	.	.	H	α-helix	trans	-68.2	-61.6	176.3	-67	161.9	0	0	0	110.4	V167 Q168 G173 S174 E175 Y241	V167-I171 HydrophobicContact CG1-CD1 3.59Å; V167-I171 HydrophobicContact CG1-CG1 4.37Å; V167-I171 WeakPolarHBondContact O-CD1 3.46Å; V167-I171 VanDerWaalsContact O-CG1 3.23Å; V167-I171 WeakPolarHBondContact O-CG1 3.38Å; V167-I171 PolarHBondContact O-N 3.09Å; Q168-I171 WeakPolarHBondContact O-CA 3.49Å; Q168-I171 WeakPolarHBondContact O-CB 3.22Å; Q168-I171 PolarHBondContact O-N 3.3Å; I171-G173 VanDerWaalsContact C-N 3.29Å; I171-G173 PolarHBondContact O-N 2.9Å; I171-S174 CarbonylContact O-C 3.49Å; I171-S174 WeakPolarHBondContact O-CA 3.47Å; I171-S174 WeakPolarHBondContact O-CB 3.24Å; I171-S174 PolarHBondContact O-N 3.23Å; I171-S174 PolarHBondContact O-OG 3.38Å; I171-E175 PolarHBondContact O-N 2.95Å; I171-Y241 HydrophobicContact CD1-CD1 3.56Å; I171-Y241 HydrophobicContact CD1-CD2 3.44Å; I171-Y241 VanDerWaalsContact CD1-CD2 3.44Å; I171-Y241 HydrophobicContact CD1-CE1 3.63Å; I171-Y241 HydrophobicContact CD1-CE2 3.53Å; I171-Y241 HydrophobicContact CD1-CG 3.45Å; I171-Y241 VanDerWaalsContact CD1-CG 3.45Å; I171-Y241 HydrophobicContact CG1-CD1 3.84Å; I171-Y241 HydrophobicContact CG1-CD2 4.29Å; I171-Y241 HydrophobicContact CG1-CE1 3.44Å; I171-Y241 VanDerWaalsContact CG1-CE1 3.44Å; I171-Y241 HydrophobicContact CG1-CE2 3.95Å; I171-Y241 HydrophobicContact CG1-CG 4.24Å; I171-Y241 HydrophobicContact CG2-CE2 3.99Å; I171-Y241 WeakPolarHBondContact CG2-OH 3.08Å
172	E	58.1	Low	54.2	Low	107 Å²	107	69.2 Å²	69.2	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-57.1	-44.5	179.7	-67.5	172.3	-177.5	0	0	110.6	Q168 S174 E175 E176	Q168-E172 HydrophobicContact CG-CG 4.33Å; Q168-E172 VanDerWaalsContact CG-OE1 3.31Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 2.83Å; Q168-E172 PolarHBondContact O-N 2.99Å; E172-S174 PolarHBondContact O-N 3.17Å; E172-E175 PolarHBondContact O-N 3.4Å; E172-E176 WeakPolarHBondContact O-CB 3.3Å; E172-E176 PolarHBondContact O-N 2.69Å
173	G	54.3	Low	53.3	Low	19 Å²	19	74 Å²	74	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-67.5	-13.7	173.9	0	0	0	0	0	114.7	G169 I171 K177	G169-G173 PolarHBondContact O-N 2.9Å; G169-G173 VanDerWaalsContact O-N 3.12Å; I171-G173 VanDerWaalsContact C-N 3.29Å; I171-G173 PolarHBondContact O-N 2.9Å; G173-K177 WeakPolarHBondContact O-CB 3.46Å; G173-K177 WeakPolarHBondContact O-CD 3.2Å; G173-K177 WeakPolarHBondContact O-CG 3.33Å; G173-K177 PolarHBondContact O-N 2.82Å
174	S	48	Very low	52.5	Low	56 Å²	56	77.1 Å²	77.1	39%	0.392	41%	0.406	S	S	.	.	H	α-helix	trans	-94.9	-31	171	77.1	0	0	0	0	112.9	V170 I171 E172 S178	V170-S174 WeakPolarHBondContact O-CB 3.35Å; V170-S174 PolarHBondContact O-N 3.14Å; V170-S174 PolarHBondContact O-OG 3.17Å; I171-S174 CarbonylContact O-C 3.49Å; I171-S174 WeakPolarHBondContact O-CA 3.47Å; I171-S174 WeakPolarHBondContact O-CB 3.24Å; I171-S174 PolarHBondContact O-N 3.23Å; I171-S174 PolarHBondContact O-OG 3.38Å; E172-S174 PolarHBondContact O-N 3.17Å; S174-S178 VanDerWaalsContact O-CB 3.23Å; S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.37Å; S174-S178 PolarHBondContact O-OG 3.46Å
175	E	51.5	Low	51.2	Low	105 Å²	105	76.4 Å²	76.4	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-68.7	-44.1	170.8	-70.8	179.5	179.3	0	0	110.6	I171 E172 S178 S179	I171-E175 PolarHBondContact O-N 2.95Å; E172-E175 PolarHBondContact O-N 3.4Å; E175-S178 WeakPolarHBondContact CA-OG 3.42Å; E175-S178 PolarHBondContact O-N 3.09Å; E175-S178 PolarHBondContact O-OG 2.98Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3Å; E175-S179 PolarHBondContact O-OG 3.32Å
176	E	50.4	Low	49.9	Very low	134 Å²	134	79.7 Å²	79.7	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-60.7	-48.4	171.7	-173.1	-169.8	-153.8	0	0	110.7	E172 S178 S179 K180	E172-E176 WeakPolarHBondContact O-CB 3.3Å; E172-E176 PolarHBondContact O-N 2.69Å; E176-S178 PolarHBondContact O-N 3.05Å; E176-S179 PolarHBondContact O-N 2.9Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.38Å; E176-K180 PolarHBondContact O-N 2.88Å
177	K	45.1	Very low	48.7	Very low	111 Å²	111	81.6 Å²	81.6	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-67.2	-34.5	-179.6	-74.7	172.1	-166.9	168	0	112.9	S128 G173 F181	S128-K177 PolarHBondContact OG-NZ 3.03Å; S128-K177 VanDerWaalsContact OG-NZ 3.08Å; G173-K177 WeakPolarHBondContact O-CB 3.46Å; G173-K177 WeakPolarHBondContact O-CD 3.2Å; G173-K177 WeakPolarHBondContact O-CG 3.33Å; G173-K177 PolarHBondContact O-N 2.82Å; K177-F181 WeakPolarHBondContact O-CB 3.34Å; K177-F181 PolarHBondContact O-N 3.25Å
178	S	39.5	Very low	47.6	Very low	57 Å²	57	85.6 Å²	85.6	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-76.4	-34.5	175	56.6	0	0	0	0	112.4	S174 E175 E176 F181 L182	S174-S178 VanDerWaalsContact O-CB 3.23Å; S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.37Å; S174-S178 PolarHBondContact O-OG 3.46Å; E175-S178 WeakPolarHBondContact CA-OG 3.42Å; E175-S178 PolarHBondContact O-N 3.09Å; E175-S178 PolarHBondContact O-OG 2.98Å; E176-S178 PolarHBondContact O-N 3.05Å; S178-F181 PolarHBondContact O-N 3.39Å; S178-L182 WeakPolarHBondContact O-CB 3.43Å; S178-L182 VanDerWaalsContact O-CG 3.3Å; S178-L182 WeakPolarHBondContact O-CG 3.19Å; S178-L182 PolarHBondContact O-N 3.4Å
179	S	45.4	Very low	46.3	Very low	73 Å²	73	88.8 Å²	88.8	51%	0.51	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-47.8	171.7	-59.2	0	0	0	0	111.3	E175 E176 F181 L182 E183	E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3Å; E175-S179 PolarHBondContact O-OG 3.32Å; E176-S179 PolarHBondContact O-N 2.9Å; S179-F181 VanDerWaalsContact C-N 3.27Å; S179-F181 PolarHBondContact O-N 2.97Å; S179-L182 PolarHBondContact O-N 3.16Å; S179-E183 WeakPolarHBondContact O-CB 3.17Å; S179-E183 PolarHBondContact O-N 2.78Å
180	K	50.8	Low	44.8	Very low	76 Å²	76	94.4 Å²	94.4	33%	0.33	48%	0.478	S	S	.	.	H	α-helix	trans	-59.3	-37.6	172	-169.4	-171.8	-178.4	-171.9	0	111.4	D124 E176 I184	D124-K180 IonicContact OD1-NZ 2.6Å; D124-K180 PolarHBondContact OD1-NZ 2.88Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.38Å; E176-K180 PolarHBondContact O-N 2.88Å; K180-I184 HydrophobicContact CG-CD1 4.03Å; K180-I184 VanDerWaalsContact O-CB 3.3Å; K180-I184 WeakPolarHBondContact O-CB 3.39Å; K180-I184 WeakPolarHBondContact O-CD1 3.34Å; K180-I184 WeakPolarHBondContact O-CG1 3.43Å; K180-I184 PolarHBondContact O-N 3.21Å
181	F	33.8	Very low	43.3	Very low	130 Å²	130	94 Å²	94	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-69.5	-36.8	175.9	-179.6	-109.2	0	0	0	112.9	K177 S178 S179 I184 I185	K177-F181 WeakPolarHBondContact O-CB 3.34Å; K177-F181 PolarHBondContact O-N 3.25Å; S178-F181 PolarHBondContact O-N 3.39Å; S179-F181 VanDerWaalsContact C-N 3.27Å; S179-F181 PolarHBondContact O-N 2.97Å; F181-I184 PolarHBondContact O-N 2.98Å; F181-I185 HydrophobicContact CD1-CD1 3.85Å; F181-I185 HydrophobicContact CE1-CD1 3.44Å; F181-I185 VanDerWaalsContact CE1-CD1 3.44Å; F181-I185 HydrophobicContact CE1-CG1 4.47Å; F181-I185 HydrophobicContact CE2-CD1 4.4Å; F181-I185 HydrophobicContact CG-CD1 4.5Å; F181-I185 HydrophobicContact CZ-CD1 3.76Å; F181-I185 HydrophobicContact CZ-CG1 4.45Å; F181-I185 WeakPolarHBondContact O-CG1 3.34Å; F181-I185 PolarHBondContact O-N 3.41Å
182	L	42.4	Very low	41.8	Very low	110 Å²	110	99.4 Å²	99.4	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-67.8	-43.1	172.5	-74	169	0	0	0	111.5	S178 S179 I184 I185 E186	S178-L182 WeakPolarHBondContact O-CB 3.43Å; S178-L182 VanDerWaalsContact O-CG 3.3Å; S178-L182 WeakPolarHBondContact O-CG 3.19Å; S178-L182 PolarHBondContact O-N 3.4Å; S179-L182 PolarHBondContact O-N 3.16Å; L182-I184 VanDerWaalsContact C-N 3.33Å; L182-I184 PolarHBondContact O-N 3.24Å; L182-I185 WeakPolarHBondContact O-CA 3.49Å; L182-I185 WeakPolarHBondContact O-CB 3.24Å; L182-I185 PolarHBondContact O-N 2.89Å; L182-I185 VanDerWaalsContact O-N 3.09Å; L182-E186 PolarHBondContact O-N 2.56Å
183	E	51.4	Low	40.2	Very low	103 Å²	103	101.7 Å²	101.7	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-58.5	-44.9	172.1	-172.4	-171.1	-178.2	0	0	110.8	S179 I185 E186 Q187	S179-E183 WeakPolarHBondContact O-CB 3.17Å; S179-E183 PolarHBondContact O-N 2.78Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.24Å; E183-E186 PolarHBondContact O-N 2.79Å; E183-Q187 HydrophobicContact CG-CG 4.44Å; E183-Q187 WeakPolarHBondContact O-CB 3.2Å; E183-Q187 WeakPolarHBondContact O-CG 3.33Å; E183-Q187 PolarHBondContact O-N 3.13Å; E183-Q187 PolarHBondContact OE1-NE2 2.98Å
184	I	44.4	Very low	38.7	Very low	66 Å²	66	106.2 Å²	106.2	34%	0.338	55%	0.553	S	S	.	*	H	α-helix	trans	-62.7	-35.2	174.4	-74.2	166.4	0	0	0	111.5	K180 F181 L182 N188	K180-I184 HydrophobicContact CG-CD1 4.03Å; K180-I184 VanDerWaalsContact O-CB 3.3Å; K180-I184 WeakPolarHBondContact O-CB 3.39Å; K180-I184 WeakPolarHBondContact O-CD1 3.34Å; K180-I184 WeakPolarHBondContact O-CG1 3.43Å; K180-I184 PolarHBondContact O-N 3.21Å; F181-I184 PolarHBondContact O-N 2.98Å; L182-I184 VanDerWaalsContact C-N 3.33Å; L182-I184 PolarHBondContact O-N 3.24Å; I184-N188 VanDerWaalsContact CG2-ND2 3.27Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.15Å; I184-N188 WeakPolarHBondContact O-CB 3.24Å; I184-N188 PolarHBondContact O-N 3.47Å; I184-N188 PolarHBondContact O-ND2 2.92Å
185	I	36.7	Very low	37.6	Very low	67 Å²	67	112.6 Å²	112.6	34%	0.344	58%	0.577	S	S	.	*	H	α-helix	trans	-68.4	-40.3	173.4	-76.3	167.7	0	0	0	111.6	F181 L182 E183 Q189	F181-I185 HydrophobicContact CD1-CD1 3.85Å; F181-I185 HydrophobicContact CE1-CD1 3.44Å; F181-I185 VanDerWaalsContact CE1-CD1 3.44Å; F181-I185 HydrophobicContact CE1-CG1 4.47Å; F181-I185 HydrophobicContact CE2-CD1 4.4Å; F181-I185 HydrophobicContact CG-CD1 4.5Å; F181-I185 HydrophobicContact CZ-CD1 3.76Å; F181-I185 HydrophobicContact CZ-CG1 4.45Å; F181-I185 WeakPolarHBondContact O-CG1 3.34Å; F181-I185 PolarHBondContact O-N 3.41Å; L182-I185 WeakPolarHBondContact O-CA 3.49Å; L182-I185 WeakPolarHBondContact O-CB 3.24Å; L182-I185 PolarHBondContact O-N 2.89Å; L182-I185 VanDerWaalsContact O-N 3.09Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.24Å; I185-Q189 WeakPolarHBondContact O-CG 3.13Å; I185-Q189 PolarHBondContact O-N 3.12Å; I185-Q189 VanDerWaalsContact O-N 3.11Å
186	E	39.9	Very low	36.3	Very low	133 Å²	133	117 Å²	117	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-69.5	-43	178.9	-171.2	167.3	-153.3	0	0	111.5	L182 E183 Q189	L182-E186 PolarHBondContact O-N 2.56Å; E183-E186 PolarHBondContact O-N 2.79Å; E186-Q189 PolarHBondContact O-N 3.38Å
187	Q	39.9	Very low	35	Very low	100 Å²	100	118.1 Å²	118.1	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-44.2	172.8	-69.1	-176.8	19.1	0	0	111.9	E183 Q189 Q190 V191	E183-Q187 HydrophobicContact CG-CG 4.44Å; E183-Q187 WeakPolarHBondContact O-CB 3.2Å; E183-Q187 WeakPolarHBondContact O-CG 3.33Å; E183-Q187 PolarHBondContact O-N 3.13Å; E183-Q187 PolarHBondContact OE1-NE2 2.98Å; Q187-Q189 PolarHBondContact O-N 3.49Å; Q187-Q190 WeakPolarHBondContact O-CA 3.49Å; Q187-Q190 PolarHBondContact O-N 3.22Å; Q187-V191 PolarHBondContact O-N 3.21Å
188	N	34.8	Very low	34.1	Very low	102 Å²	102	119.1 Å²	119.1	55%	0.545	61%	0.611	S	S	.	*	H	α-helix	trans	-68.4	-18.6	178.3	-75.7	-33.6	0	0	0	113.7	I184 Q190	I184-N188 VanDerWaalsContact CG2-ND2 3.27Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.15Å; I184-N188 WeakPolarHBondContact O-CB 3.24Å; I184-N188 PolarHBondContact O-N 3.47Å; I184-N188 PolarHBondContact O-ND2 2.92Å; N188-Q190 PolarHBondContact O-N 3.39Å
189	Q	33.8	Very low	33.3	Very low	156 Å²	156	124 Å²	124	73%	0.729	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-13.9	167.9	-79.9	178.5	66.4	0	0	113.2	I185 E186 Q187	I185-Q189 WeakPolarHBondContact O-CG 3.13Å; I185-Q189 PolarHBondContact O-N 3.12Å; I185-Q189 VanDerWaalsContact O-N 3.11Å; E186-Q189 PolarHBondContact O-N 3.38Å; Q187-Q189 PolarHBondContact O-N 3.49Å
190	Q	28.6	Very low	32.3	Very low	160 Å²	160	125 Å²	125	75%	0.748	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-33.5	177	-59.7	-169.8	19.2	0	0	113.3	Q187 N188 T192	Q187-Q190 WeakPolarHBondContact O-CA 3.49Å; Q187-Q190 PolarHBondContact O-N 3.22Å; N188-Q190 PolarHBondContact O-N 3.39Å; Q190-T192 PolarHBondContact O-N 2.96Å
191	V	24.8	Very low	31.1	Very low	101 Å²	101	127.8 Å²	127.8	61%	0.612	65%	0.65	S	S	*	*			trans	-93.4	66.9	-176.3	-167.6	0	0	0	0	111.7	Q187	Q187-V191 PolarHBondContact O-N 3.21Å
192	T	24	Very low	30.8	Very low	122 Å²	122	128.3 Å²	128.3	75%	0.748	66%	0.657	S	S	*	*			trans	-95.2	93.8	152.2	-58.6	0	0	0	0	108.4	Q190	Q190-T192 PolarHBondContact O-N 2.96Å
193	L	25.4	Very low	29.9	Very low	155 Å²	155	130.4 Å²	130.4	81%	0.812	67%	0.669	S	S	*	*			trans	179.1	153.5	152.4	-102.3	165.1	0	0	0	112.7
194	S	23.2	Very low	28.6	Very low	113 Å²	113	134 Å²	134	79%	0.79	69%	0.685	S	S	*	*			trans	66.9	96.9	167.9	-70.5	0	0	0	0	118.9
195	E	23	Very low	27.7	Very low	190 Å²	190	136.6 Å²	136.6	89%	0.888	71%	0.709	S	S	*	*			trans	-62	146.6	146.5	-55.6	153.4	119.3	0	0	110.1
196	E	24.2	Very low	27.1	Very low	199 Å²	199	138.3 Å²	138.3	93%	0.93	73%	0.727	S	S	*	*				-173.8	151.8	128	-105.7	176.1	-174.5	0	0	113.9
197	E	24.2	Very low	26.6	Very low	156 Å²	156	140 Å²	140	73%	0.729	74%	0.741	S	S	*	*			trans	-64.6	154.6	-169.5	-44.9	178.1	138.3	0	0	116.4
198	M	25.1	Very low	25.8	Very low	133 Å²	133	141.4 Å²	141.4	66%	0.655	76%	0.756	S	S	*	*				159.8	118.3	103.6	-78.7	-153.2	-170.8	0	0	116.4
199	K	23.7	Very low	25.3	Very low	159 Å²	159	145.1 Å²	145.1	69%	0.691	77%	0.77	S	S	*	*				62.8	109.5	128.9	-60	168.4	-173.4	155.6	0	121.7
200	S	24.8	Very low	24.8	Very low	95 Å²	95	146.5 Å²	146.5	66%	0.664	78%	0.776	S	S	*	*				89.7	158	116.5	76.6	0	0	0	0	121.9
201	N	24.6	Very low	24.7	Very low	134 Å²	134	145 Å²	145	72%	0.717	77%	0.774	S	S	*	*			trans	80.1	142.8	159.8	-61.4	-22.4	0	0	0	118.3
202	I	27.1	Very low	24.7	Very low	140 Å²	140	146.5 Å²	146.5	72%	0.718	78%	0.783	S	S	*	*			cis	-165.3	162.7	-23	-129.2	168.3	0	0	0	111.3
203	L	24.9	Very low	24.9	Very low	155 Å²	155	148.5 Å²	148.5	81%	0.812	78%	0.777	S	S	*	*			trans	72.2	156.5	163.6	-119.4	70.3	0	0	0	122.3
204	E	23.5	Very low	25	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	78%	0.776	S	S	*	*			trans	-102.8	162.2	179.8	-53.6	153.7	118.9	0	0	110.6
205	S	25.8	Very low	25.4	Very low	119 Å²	119	150.8 Å²	150.8	83%	0.832	78%	0.776	S	S	*	*			trans	-142	126.9	149.6	65.4	0	0	0	0	110.4
206	S	23.6	Very low	25.8	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	75%	0.754	S	S	*	*			trans	-77.8	150.5	176.7	51.3	0	0	0	0	111
207	N	29.1	Very low	26.5	Very low	169 Å²	169	141.4 Å²	141.4	90%	0.904	75%	0.748	S	S	*	*			trans	-141.5	120.6	149.7	-98.2	-41.1	0	0	0	110.3
208	T	23.7	Very low	27.2	Very low	128 Å²	128	135.9 Å²	135.9	79%	0.785	72%	0.723	S	S	*	*			trans	-96.8	130.7	174	48.6	0	0	0	0	109.5
209	E	24.9	Very low	28.3	Very low	181 Å²	181	134.6 Å²	134.6	85%	0.846	72%	0.719	S	S	*	*			trans	-134.8	125.7	160.4	-117.2	176.3	-150.9	0	0	111.1
210	Q	22.7	Very low	29.5	Very low	184 Å²	184	133.5 Å²	133.5	86%	0.86	72%	0.716	S	S	*	*			trans	-95.7	113.8	-179.3	-66.5	178.9	-25.6	0	0	109
211	N	26.4	Very low	30.7	Very low	130 Å²	130	134.3 Å²	134.3	70%	0.695	71%	0.712	S	S	*	*			trans	-113.3	101.2	174.8	-115.4	-54.7	0	0	0	111.4	R213	N211-R213 PolarHBondContact O-N 3.04Å
212	T	24.5	Very low	31.9	Very low	132 Å²	132	129.7 Å²	129.7	81%	0.81	69%	0.69	S	S	*	*			trans	-78.4	63.2	-178.6	41.1	0	0	0	0	112.3	Q214	T212-Q214 PolarHBondContact O-N 3.08Å
213	R	28.7	Very low	33	Very low	163 Å²	163	125 Å²	125	62%	0.615	67%	0.673	S	S	*	*			trans	-68	124.3	173.2	-75	-175.1	168	-176.8	-9.1	110.8	E143 N211	E143-R213 IonicContact OE1-CZ 3.61Å; E143-R213 IonicContact OE1-NE 3.59Å; E143-R213 IonicContact OE1-NH1 2.81Å; E143-R213 PolarHBondContact OE1-NH1 3.25Å; E143-R213 IonicContact OE2-CZ 3.83Å; E143-R213 VanDerWaalsContact OE2-CZ 3.3Å; E143-R213 IonicContact OE2-NH1 3.2Å; E143-R213 PolarHBondContact OE2-NH1 3.4Å; E143-R213 IonicContact OE2-NH2 2.96Å; E143-R213 PolarHBondContact OE2-NH2 2.86Å; N211-R213 PolarHBondContact O-N 3.04Å
214	Q	28.2	Very low	34.3	Very low	168 Å²	168	123.7 Å²	123.7	79%	0.785	66%	0.66	S	S	*	*			trans	-73.3	149.8	-178.9	-62.5	-176.7	0.3	0	0	111	R146 T212 S216	R146-Q214 PolarHBondContact NH2-O 3.13Å; T212-Q214 PolarHBondContact O-N 3.08Å; Q214-S216 PolarHBondContact O-N 2.86Å
215	N	31	Very low	35.9	Very low	148 Å²	148	119.6 Å²	119.6	79%	0.791	64%	0.641	S	S	*	*			trans	-88.9	83.9	-177.5	-62.7	-64.7	0	0	0	111.9
216	S	32.3	Very low	37.3	Very low	63 Å²	63	114.8 Å²	114.8	44%	0.441	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-83.6	125.3	148.4	53.3	0	0	0	0	107.3	R146 Q214	R146-S216 VanDerWaalsContact CZ-OG 3.31Å; R146-S216 PolarHBondContact NE-O 3.08Å; R146-S216 PolarHBondContact NE-OG 2.65Å; R146-S216 PolarHBondContact NH2-O 2.93Å; R146-S216 PolarHBondContact NH2-OG 3.31Å; Q214-S216 PolarHBondContact O-N 2.86Å
217	V	37.2	Very low	38.8	Very low	130 Å²	130	112.1 Å²	112.1	79%	0.788	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-88.2	117.9	-174.7	174.7	0	0	0	0	108.2	N219	V217-N219 PolarHBondContact O-N 3.03Å
218	L	39.5	Very low	40.1	Very low	40 Å²	40	108.9 Å²	108.9	21%	0.209	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-51.2	127.3	164.7	-92.7	166.5	0	0	0	108.9	V142 V145 R146 E220 A223	V142-L218 HydrophobicContact CG1-CD1 3.47Å; V142-L218 VanDerWaalsContact CG1-CD1 3.47Å; V145-L218 HydrophobicContact CG1-CD2 4.32Å; R146-L218 HydrophobicContact CB-CD1 4.2Å; R146-L218 HydrophobicContact CB-CD2 3.67Å; R146-L218 HydrophobicContact CB-CG 3.69Å; R146-L218 HydrophobicContact CG-CD2 4.28Å; R146-L218 HydrophobicContact CG-CG 3.93Å; L218-E220 PolarHBondContact O-N 2.94Å; L218-A223 HydrophobicContact CB-CB 4.21Å
219	N	48.6	Very low	41.8	Very low	106 Å²	106	104.9 Å²	104.9	57%	0.567	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-58.1	137.3	-175.8	-164.1	1.7	0	0	0	110	V217 L221 S222 A223	V217-N219 PolarHBondContact O-N 3.03Å; N219-L221 PolarHBondContact O-N 3.44Å; N219-S222 PolarHBondContact O-N 2.88Å; N219-A223 PolarHBondContact O-N 3.38Å; N219-A223 VanDerWaalsContact O-N 3.12Å
220	E	49.2	Very low	43.1	Very low	135 Å²	135	97.6 Å²	97.6	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-55.5	-33.9	-166.7	-172.4	-179.3	156.6	0	0	112.4	L218 K224	L218-E220 PolarHBondContact O-N 2.94Å; E220-K224 WeakPolarHBondContact O-CB 3.36Å; E220-K224 PolarHBondContact O-N 3.38Å
221	L	49.8	Very low	44.7	Very low	113 Å²	113	91.9 Å²	91.9	59%	0.592	48%	0.484	S	S	*	.	H	α-helix	trans	-68.2	-54	174.6	-63.6	170.2	0	0	0	111.9	N219 A223 K224 E225	N219-L221 PolarHBondContact O-N 3.44Å; L221-A223 PolarHBondContact O-N 2.83Å; L221-K224 CarbonylContact O-C 3.59Å; L221-K224 WeakPolarHBondContact O-CB 3.09Å; L221-K224 PolarHBondContact O-N 3.11Å; L221-K224 VanDerWaalsContact O-N 3.08Å; L221-E225 WeakPolarHBondContact O-CB 3.21Å; L221-E225 WeakPolarHBondContact O-CG 3.42Å; L221-E225 PolarHBondContact O-N 2.8Å
222	S	50.5	Low	46.4	Very low	36 Å²	36	89.4 Å²	89.4	25%	0.252	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-40.2	-174.5	-48.6	0	0	0	0	112.8	N219 K224 E225 L226	N219-S222 PolarHBondContact O-N 2.88Å; S222-K224 VanDerWaalsContact C-N 3.34Å; S222-E225 PolarHBondContact O-N 2.86Å; S222-L226 VanDerWaalsContact O-CB 3.31Å; S222-L226 WeakPolarHBondContact O-CB 3.39Å; S222-L226 PolarHBondContact O-N 3.08Å
223	A	49.7	Very low	47.8	Very low	42 Å²	42	84.6 Å²	84.6	35%	0.347	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-38	174.4	0	0	0	0	0	112.2	L218 N219 L221 A227	L218-A223 HydrophobicContact CB-CB 4.21Å; N219-A223 PolarHBondContact O-N 3.38Å; N219-A223 VanDerWaalsContact O-N 3.12Å; L221-A223 PolarHBondContact O-N 2.83Å; A223-A227 WeakPolarHBondContact O-CB 3.44Å; A223-A227 PolarHBondContact O-N 3.41Å; A223-A227 VanDerWaalsContact O-N 3.11Å
224	K	51.2	Low	49	Very low	127 Å²	127	78.5 Å²	78.5	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-70.4	-42.3	176.4	-173	-178.6	176.8	-68.7	0	111.9	E220 L221 S222 A227 E228	E220-K224 WeakPolarHBondContact O-CB 3.36Å; E220-K224 PolarHBondContact O-N 3.38Å; L221-K224 CarbonylContact O-C 3.59Å; L221-K224 WeakPolarHBondContact O-CB 3.09Å; L221-K224 PolarHBondContact O-N 3.11Å; L221-K224 VanDerWaalsContact O-N 3.08Å; S222-K224 VanDerWaalsContact C-N 3.34Å; K224-A227 PolarHBondContact O-N 3.08Å; K224-E228 IonicContact NZ-OE2 2.71Å; K224-E228 PolarHBondContact NZ-OE2 3.36Å; K224-E228 VanDerWaalsContact O-CB 3.25Å; K224-E228 WeakPolarHBondContact O-CB 3.49Å; K224-E228 PolarHBondContact O-N 2.66Å
225	E	58.8	Low	50.4	Low	94 Å²	94	73.9 Å²	73.9	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-63.1	-42.8	177.7	-74.4	167.2	-177.8	0	0	111.1	L152 L221 S222 E228 L229	L152-E225 HydrophobicContact CD1-CB 4.47Å; L221-E225 WeakPolarHBondContact O-CB 3.21Å; L221-E225 WeakPolarHBondContact O-CG 3.42Å; L221-E225 PolarHBondContact O-N 2.8Å; S222-E225 PolarHBondContact O-N 2.86Å; E225-E228 PolarHBondContact O-N 2.72Å; E225-L229 WeakPolarHBondContact O-CB 3.5Å; E225-L229 WeakPolarHBondContact O-CD1 3.25Å; E225-L229 VanDerWaalsContact O-CG 3.24Å; E225-L229 WeakPolarHBondContact O-CG 3.37Å; E225-L229 PolarHBondContact O-N 2.88Å
226	L	54.7	Low	51.7	Low	18 Å²	18	71.1 Å²	71.1	9%	0.094	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175	-164.1	162.4	0	0	0	111.5	V142 V155 L159 S222 L229 F230	V142-L226 HydrophobicContact CG2-CD1 4.15Å; V142-L226 HydrophobicContact CG2-CD2 4.16Å; V155-L226 HydrophobicContact CG1-CD1 4.49Å; L159-L226 HydrophobicContact CD1-CD2 3.72Å; L159-L226 HydrophobicContact CD1-CG 3.88Å; L159-L226 HydrophobicContact CD2-CD2 4.35Å; S222-L226 VanDerWaalsContact O-CB 3.31Å; S222-L226 WeakPolarHBondContact O-CB 3.39Å; S222-L226 PolarHBondContact O-N 3.08Å; L226-L229 PolarHBondContact O-N 3.34Å; L226-F230 WeakPolarHBondContact O-CB 3.24Å; L226-F230 PolarHBondContact O-N 3.45Å
227	A	54.9	Low	52.7	Low	48 Å²	48	68.8 Å²	68.8	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-37.7	176	0	0	0	0	0	113	A223 K224 L231	A223-A227 WeakPolarHBondContact O-CB 3.44Å; A223-A227 PolarHBondContact O-N 3.41Å; A223-A227 VanDerWaalsContact O-N 3.11Å; K224-A227 PolarHBondContact O-N 3.08Å; A227-L231 WeakPolarHBondContact O-CB 3.24Å; A227-L231 VanDerWaalsContact O-CG 3.24Å; A227-L231 WeakPolarHBondContact O-CG 3.31Å; A227-L231 PolarHBondContact O-N 2.71Å
228	E	55.7	Low	53.4	Low	101 Å²	101	65.3 Å²	65.3	47%	0.472	35%	0.349	S	S	.	.	H	α-helix	trans	-69.1	-38.6	177	-167.5	163.8	161.8	0	0	111.1	K224 E225 N232	K224-E228 IonicContact NZ-OE2 2.71Å; K224-E228 PolarHBondContact NZ-OE2 3.36Å; K224-E228 VanDerWaalsContact O-CB 3.25Å; K224-E228 WeakPolarHBondContact O-CB 3.49Å; K224-E228 PolarHBondContact O-N 2.66Å; E225-E228 PolarHBondContact O-N 2.72Å; E228-N232 WeakPolarHBondContact O-CB 3.41Å; E228-N232 VanDerWaalsContact O-CG 3.22Å; E228-N232 PolarHBondContact O-N 2.99Å; E228-N232 VanDerWaalsContact O-N 3.08Å; E228-N232 PolarHBondContact O-ND2 2.85Å
229	L	58.7	Low	54	Low	43 Å²	43	65.1 Å²	65.1	23%	0.225	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-54.3	171.3	-74.8	162.9	0	0	0	111.5	L152 R156 E225 L226 L231 N232 D233	L152-L229 HydrophobicContact CD2-CD1 3.9Å; R156-L229 HydrophobicContact CG-CD1 4.06Å; R156-L229 HydrophobicContact CG-CD2 4.43Å; E225-L229 WeakPolarHBondContact O-CB 3.5Å; E225-L229 WeakPolarHBondContact O-CD1 3.25Å; E225-L229 VanDerWaalsContact O-CG 3.24Å; E225-L229 WeakPolarHBondContact O-CG 3.37Å; E225-L229 PolarHBondContact O-N 2.88Å; L226-L229 PolarHBondContact O-N 3.34Å; L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 2.99Å; L229-N232 WeakPolarHBondContact O-CB 3.47Å; L229-N232 PolarHBondContact O-N 3.32Å; L229-D233 PolarHBondContact O-N 3.11Å
230	F	54.2	Low	54.4	Low	28 Å²	28	63.8 Å²	63.8	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-39.3	179.9	178.3	-102	0	0	0	112.9	I138 L159 M166 L226 L234	I138-F230 HydrophobicContact CD1-CD2 4.5Å; I138-F230 HydrophobicContact CD1-CE2 3.75Å; I138-F230 HydrophobicContact CD1-CZ 3.83Å; L159-F230 HydrophobicContact CB-CD2 4.43Å; L159-F230 HydrophobicContact CD1-CB 4.49Å; L159-F230 HydrophobicContact CD2-CD2 4.15Å; M166-F230 HydrophobicContact SD-CE2 4.46Å; M166-F230 HydrophobicContact SD-CZ 3.98Å; L226-F230 WeakPolarHBondContact O-CB 3.24Å; L226-F230 PolarHBondContact O-N 3.45Å; F230-L234 HydrophobicContact CE1-CD2 4.26Å; F230-L234 WeakPolarHBondContact O-CB 3.34Å; F230-L234 PolarHBondContact O-N 3.41Å
231	L	55.6	Low	54.6	Low	64 Å²	64	60.6 Å²	60.6	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-68.7	-32.8	175.7	-73.9	171	0	0	0	112.8	A227 L229 T235	A227-L231 WeakPolarHBondContact O-CB 3.24Å; A227-L231 VanDerWaalsContact O-CG 3.24Å; A227-L231 WeakPolarHBondContact O-CG 3.31Å; A227-L231 PolarHBondContact O-N 2.71Å; L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 2.99Å; L231-T235 VanDerWaalsContact O-CB 3.28Å; L231-T235 WeakPolarHBondContact O-CB 3.28Å; L231-T235 PolarHBondContact O-N 3.24Å; L231-T235 PolarHBondContact O-OG1 3.35Å
232	N	61.2	Low	54.5	Low	79 Å²	79	57 Å²	57	42%	0.422	31%	0.311	S	S	.	.	H	α-helix	trans	-69.9	-50.6	172.6	-71.6	-43	0	0	0	110.7	E228 L229 L234 T235 D236	E228-N232 WeakPolarHBondContact O-CB 3.41Å; E228-N232 VanDerWaalsContact O-CG 3.22Å; E228-N232 PolarHBondContact O-N 2.99Å; E228-N232 VanDerWaalsContact O-N 3.08Å; E228-N232 PolarHBondContact O-ND2 2.85Å; L229-N232 WeakPolarHBondContact O-CB 3.47Å; L229-N232 PolarHBondContact O-N 3.32Å; N232-L234 VanDerWaalsContact C-N 3.33Å; N232-L234 PolarHBondContact O-N 2.99Å; N232-T235 PolarHBondContact O-N 2.7Å; N232-T235 VanDerWaalsContact O-N 3.08Å; N232-D236 PolarHBondContact O-N 3.23Å
233	D	55	Low	54.4	Low	31 Å²	31	59.6 Å²	59.6	17%	0.166	32%	0.319	C	S	.	.	H	α-helix	trans	-56	-46.1	177.7	-70.5	-43.9	0	0	0	111.3	L229 T235 D236 N237	L229-D233 PolarHBondContact O-N 3.11Å; D233-T235 PolarHBondContact O-N 3.16Å; D233-D236 PolarHBondContact O-N 3.33Å; D233-N237 WeakPolarHBondContact O-CB 3.44Å; D233-N237 PolarHBondContact O-N 2.9Å; D233-N237 PolarHBondContact O-ND2 2.86Å
234	L	53.2	Low	54.5	Low	35 Å²	35	61.8 Å²	61.8	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-41.4	175.6	-176.7	65.6	0	0	0	112.5	V167 F230 N232 V238	V167-L234 HydrophobicContact CG2-CD1 3.79Å; F230-L234 HydrophobicContact CE1-CD2 4.26Å; F230-L234 WeakPolarHBondContact O-CB 3.34Å; F230-L234 PolarHBondContact O-N 3.41Å; N232-L234 VanDerWaalsContact C-N 3.33Å; N232-L234 PolarHBondContact O-N 2.99Å; L234-V238 HydrophobicContact CD1-CG2 4.41Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 VanDerWaalsContact O-CG2 3.27Å; L234-V238 WeakPolarHBondContact O-CG2 3.46Å; L234-V238 PolarHBondContact O-N 2.71Å
235	T	57.1	Low	54.4	Low	70 Å²	70	58 Å²	58	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-40.8	178	-60.9	0	0	0	0	111.6	L231 N232 D233 S239	L231-T235 VanDerWaalsContact O-CB 3.28Å; L231-T235 WeakPolarHBondContact O-CB 3.28Å; L231-T235 PolarHBondContact O-N 3.24Å; L231-T235 PolarHBondContact O-OG1 3.35Å; N232-T235 PolarHBondContact O-N 2.7Å; N232-T235 VanDerWaalsContact O-N 3.08Å; D233-T235 PolarHBondContact O-N 3.16Å; T235-S239 WeakPolarHBondContact O-CB 3.29Å; T235-S239 PolarHBondContact O-N 3.17Å; T235-S239 PolarHBondContact O-OG 2.88Å
236	D	59.9	Low	53.6	Low	90 Å²	90	57.2 Å²	57.2	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-72.3	-42.3	-179.4	-72.3	-8.1	0	0	0	110.5	N232 D233 S239 V240	N232-D236 PolarHBondContact O-N 3.23Å; D233-D236 PolarHBondContact O-N 3.33Å; D236-S239 WeakPolarHBondContact O-CB 3.36Å; D236-S239 PolarHBondContact O-N 3.12Å; D236-S239 VanDerWaalsContact O-N 3.09Å; D236-V240 WeakPolarHBondContact O-CG2 3.41Å; D236-V240 PolarHBondContact O-N 3.13Å
237	N	51.2	Low	53.3	Low	14 Å²	14	60.7 Å²	60.7	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-44.2	174.6	-71.1	-38.8	0	0	0	112.5	S163 Q164 V167 D233 S239 V240 Y241	S163-N237 PolarHBondContact OG-ND2 2.64Å; Q164-N237 HydrophobicContact CG-CB 4.37Å; Q164-N237 VanDerWaalsContact CG-CG 3.42Å; Q164-N237 WeakPolarHBondContact CG-ND2 3.21Å; Q164-N237 VanDerWaalsContact CG-OD1 3.24Å; Q164-N237 WeakPolarHBondContact CG-OD1 3.38Å; Q164-N237 PolarHBondContact NE2-OD1 3Å; V167-N237 HydrophobicContact CG2-CB 4.32Å; D233-N237 WeakPolarHBondContact O-CB 3.44Å; D233-N237 PolarHBondContact O-N 2.9Å; D233-N237 PolarHBondContact O-ND2 2.86Å; N237-S239 VanDerWaalsContact C-N 3.25Å; N237-S239 PolarHBondContact O-N 3Å; N237-V240 PolarHBondContact O-N 3.1Å; N237-Y241 PolarHBondContact O-N 3.32Å
238	V	52.5	Low	53.1	Low	57 Å²	57	64.4 Å²	64.4	35%	0.345	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-32.3	172.6	170	0	0	0	0	111.5	V167 L234 L242	V167-V238 HydrophobicContact CG2-CG2 3.59Å; L234-V238 HydrophobicContact CD1-CG2 4.41Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 VanDerWaalsContact O-CG2 3.27Å; L234-V238 WeakPolarHBondContact O-CG2 3.46Å; L234-V238 PolarHBondContact O-N 2.71Å; V238-L242 HydrophobicContact CG1-CD1 3.83Å; V238-L242 HydrophobicContact CG1-CG 4.42Å; V238-L242 WeakPolarHBondContact O-CB 3.42Å; V238-L242 WeakPolarHBondContact O-CD1 3.43Å; V238-L242 WeakPolarHBondContact O-CG 3.45Å; V238-L242 PolarHBondContact O-N 3.32Å
239	S	53.2	Low	52.5	Low	36 Å²	36	63.9 Å²	63.9	25%	0.252	34%	0.336	S	S	.	.	H	α-helix	trans	-70.9	-38.8	178	-61.6	0	0	0	0	112.6	T235 D236 N237 E243	T235-S239 WeakPolarHBondContact O-CB 3.29Å; T235-S239 PolarHBondContact O-N 3.17Å; T235-S239 PolarHBondContact O-OG 2.88Å; D236-S239 WeakPolarHBondContact O-CB 3.36Å; D236-S239 PolarHBondContact O-N 3.12Å; D236-S239 VanDerWaalsContact O-N 3.09Å; N237-S239 VanDerWaalsContact C-N 3.25Å; N237-S239 PolarHBondContact O-N 3Å; S239-E243 WeakPolarHBondContact O-CG 3.39Å; S239-E243 PolarHBondContact O-N 2.78Å; S239-E243 VanDerWaalsContact O-N 3.14Å
240	V	55.5	Low	51.8	Low	79 Å²	79	66.7 Å²	66.7	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-52.1	175.3	171.4	0	0	0	0	110.7	D236 N237 L242 E243 D244	D236-V240 WeakPolarHBondContact O-CG2 3.41Å; D236-V240 PolarHBondContact O-N 3.13Å; N237-V240 PolarHBondContact O-N 3.1Å; V240-L242 VanDerWaalsContact C-N 3.26Å; V240-L242 PolarHBondContact O-N 3.34Å; V240-E243 CarbonylContact O-C 3.58Å; V240-E243 WeakPolarHBondContact O-CA 3.35Å; V240-E243 WeakPolarHBondContact O-CB 3.48Å; V240-E243 PolarHBondContact O-N 3.47Å; V240-D244 PolarHBondContact O-N 3.23Å
241	Y	54.9	Low	51.6	Low	67 Å²	67	71.2 Å²	71.2	26%	0.263	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-36.7	179.1	174.4	-115.1	0	0	0	113.2	I171 N237 E243 D244 I245	I171-Y241 HydrophobicContact CD1-CD1 3.56Å; I171-Y241 HydrophobicContact CD1-CD2 3.44Å; I171-Y241 VanDerWaalsContact CD1-CD2 3.44Å; I171-Y241 HydrophobicContact CD1-CE1 3.63Å; I171-Y241 HydrophobicContact CD1-CE2 3.53Å; I171-Y241 HydrophobicContact CD1-CG 3.45Å; I171-Y241 VanDerWaalsContact CD1-CG 3.45Å; I171-Y241 HydrophobicContact CG1-CD1 3.84Å; I171-Y241 HydrophobicContact CG1-CD2 4.29Å; I171-Y241 HydrophobicContact CG1-CE1 3.44Å; I171-Y241 VanDerWaalsContact CG1-CE1 3.44Å; I171-Y241 HydrophobicContact CG1-CE2 3.95Å; I171-Y241 HydrophobicContact CG1-CG 4.24Å; I171-Y241 HydrophobicContact CG2-CE2 3.99Å; I171-Y241 WeakPolarHBondContact CG2-OH 3.08Å; N237-Y241 PolarHBondContact O-N 3.32Å; Y241-E243 PolarHBondContact O-N 3.39Å; Y241-D244 PolarHBondContact O-N 2.96Å; Y241-I245 HydrophobicContact CD1-CD1 3.79Å; Y241-I245 HydrophobicContact CD2-CD1 4.41Å; Y241-I245 HydrophobicContact CD2-CG1 4.37Å; Y241-I245 HydrophobicContact CE1-CD1 3.22Å; Y241-I245 HydrophobicContact CE1-CG1 4.09Å; Y241-I245 HydrophobicContact CE2-CD1 3.93Å; Y241-I245 HydrophobicContact CE2-CG1 3.84Å; Y241-I245 HydrophobicContact CG-CD1 4.35Å; Y241-I245 WeakPolarHBondContact O-CG1 3.21Å; Y241-I245 PolarHBondContact O-N 3.3Å
242	L	47.2	Very low	51	Low	37 Å²	37	73.2 Å²	73.2	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-71.6	-16.1	173.9	-71	172.4	0	0	0	113.7	Y68 V238 V240 I245 L246	Y68-L242 HydrophobicContact CE2-CD1 3.93Å; Y68-L242 HydrophobicContact CE2-CD2 4.02Å; Y68-L242 VanDerWaalsContact OH-CD2 3.28Å; Y68-L242 WeakPolarHBondContact OH-CD2 3.47Å; V238-L242 HydrophobicContact CG1-CD1 3.83Å; V238-L242 HydrophobicContact CG1-CG 4.42Å; V238-L242 WeakPolarHBondContact O-CB 3.42Å; V238-L242 WeakPolarHBondContact O-CD1 3.43Å; V238-L242 WeakPolarHBondContact O-CG 3.45Å; V238-L242 PolarHBondContact O-N 3.32Å; V240-L242 VanDerWaalsContact C-N 3.26Å; V240-L242 PolarHBondContact O-N 3.34Å; L242-I245 HydrophobicContact CD2-CD1 4.2Å; L242-L246 VanDerWaalsContact O-CD1 3.24Å; L242-L246 WeakPolarHBondContact O-CD1 3.43Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å
243	E	48.8	Very low	50.2	Low	91 Å²	91	75.1 Å²	75.1	43%	0.425	39%	0.394	S	S	.	.	H	α-helix	trans	-86	-39.7	170.7	-78.2	161.7	-160.6	0	0	110.4	R75 S239 V240 Y241 L246 D247	R75-E243 IonicContact CZ-OE1 2.72Å; R75-E243 IonicContact NH1-OE1 2.64Å; R75-E243 PolarHBondContact NH1-OE1 2.89Å; R75-E243 IonicContact NH2-OE1 2.7Å; S239-E243 WeakPolarHBondContact O-CG 3.39Å; S239-E243 PolarHBondContact O-N 2.78Å; S239-E243 VanDerWaalsContact O-N 3.14Å; V240-E243 CarbonylContact O-C 3.58Å; V240-E243 WeakPolarHBondContact O-CA 3.35Å; V240-E243 WeakPolarHBondContact O-CB 3.48Å; V240-E243 PolarHBondContact O-N 3.47Å; Y241-E243 PolarHBondContact O-N 3.39Å; E243-L246 PolarHBondContact O-N 2.92Å; E243-L246 VanDerWaalsContact O-N 3.09Å; E243-D247 PolarHBondContact O-N 3.35Å
244	D	50.9	Low	49.7	Very low	88 Å²	88	79.1 Å²	79.1	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-57.4	-51	172.3	-58.8	-43.3	0	0	0	111.7	V240 Y241 L246 D247 E248	V240-D244 PolarHBondContact O-N 3.23Å; Y241-D244 PolarHBondContact O-N 2.96Å; D244-L246 VanDerWaalsContact C-N 3.25Å; D244-L246 PolarHBondContact O-N 3.45Å; D244-D247 PolarHBondContact O-N 2.96Å; D244-E248 PolarHBondContact O-N 2.84Å
245	I	48.5	Very low	49.2	Very low	49 Å²	49	84.1 Å²	84.1	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-58.1	-37.7	174.4	-62.6	159.5	0	0	0	111.7	Y241 L242 L249	Y241-I245 HydrophobicContact CD1-CD1 3.79Å; Y241-I245 HydrophobicContact CD2-CD1 4.41Å; Y241-I245 HydrophobicContact CD2-CG1 4.37Å; Y241-I245 HydrophobicContact CE1-CD1 3.22Å; Y241-I245 HydrophobicContact CE1-CG1 4.09Å; Y241-I245 HydrophobicContact CE2-CD1 3.93Å; Y241-I245 HydrophobicContact CE2-CG1 3.84Å; Y241-I245 HydrophobicContact CG-CD1 4.35Å; Y241-I245 WeakPolarHBondContact O-CG1 3.21Å; Y241-I245 PolarHBondContact O-N 3.3Å; L242-I245 HydrophobicContact CD2-CD1 4.2Å; I245-L249 HydrophobicContact CG2-CD1 3.84Å; I245-L249 HydrophobicContact CG2-CG 4.28Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 VanDerWaalsContact O-CG 3.24Å; I245-L249 WeakPolarHBondContact O-CG 3.39Å; I245-L249 PolarHBondContact O-N 3.26Å
246	L	43.5	Very low	48.3	Very low	76 Å²	76	87.5 Å²	87.5	40%	0.398	46%	0.458	S	S	.	.	H	α-helix	trans	-70.3	-38.3	-179.2	-79.9	172.8	0	0	0	111.3	L242 E243 D244 L249 L250	L242-L246 VanDerWaalsContact O-CD1 3.24Å; L242-L246 WeakPolarHBondContact O-CD1 3.43Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; E243-L246 PolarHBondContact O-N 2.92Å; E243-L246 VanDerWaalsContact O-N 3.09Å; D244-L246 VanDerWaalsContact C-N 3.25Å; D244-L246 PolarHBondContact O-N 3.45Å; L246-L249 PolarHBondContact O-N 3.44Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 3.47Å
247	D	48.1	Very low	47.2	Very low	92 Å²	92	94.7 Å²	94.7	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-72.8	-34.9	177.3	-81.4	0.8	0	0	0	112	E243 D244 L250 Q251	E243-D247 PolarHBondContact O-N 3.35Å; D244-D247 PolarHBondContact O-N 2.96Å; D247-L250 PolarHBondContact O-N 3.37Å; D247-Q251 WeakPolarHBondContact O-CB 3.44Å; D247-Q251 VanDerWaalsContact O-CG 3.3Å; D247-Q251 WeakPolarHBondContact O-CG 3.17Å; D247-Q251 PolarHBondContact O-N 3.03Å; D247-Q251 PolarHBondContact O-NE2 3.15Å
248	E	50.8	Low	47	Very low	125 Å²	125	98.7 Å²	98.7	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-62.5	-48.1	168.3	-74.1	-171.6	167.5	0	0	111.8	D244 L250 Q251 N252	D244-E248 PolarHBondContact O-N 2.84Å; E248-L250 VanDerWaalsContact C-N 3.27Å; E248-L250 PolarHBondContact O-N 2.75Å; E248-Q251 PolarHBondContact O-N 3.08Å; E248-N252 WeakPolarHBondContact O-CB 3.24Å; E248-N252 PolarHBondContact O-N 2.93Å; E248-N252 PolarHBondContact O-ND2 3.14Å
249	L	43	Very low	46.7	Very low	90 Å²	90	100.9 Å²	100.9	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-35.3	176.3	-74.6	172.6	0	0	0	111.7	I245 L246 N253	I245-L249 HydrophobicContact CG2-CD1 3.84Å; I245-L249 HydrophobicContact CG2-CG 4.28Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 VanDerWaalsContact O-CG 3.24Å; I245-L249 WeakPolarHBondContact O-CG 3.39Å; I245-L249 PolarHBondContact O-N 3.26Å; L246-L249 PolarHBondContact O-N 3.44Å; L249-N253 PolarHBondContact O-N 3.32Å; L249-N253 PolarHBondContact O-ND2 3.08Å
250	L	44.6	Very low	46.4	Very low	103 Å²	103	104.5 Å²	104.5	54%	0.539	53%	0.532	S	S	.	.	H	α-helix	trans	-72.4	-36.5	176.2	-74.7	168.4	0	0	0	112.4	L246 D247 E248 N253 N254	L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 3.47Å; D247-L250 PolarHBondContact O-N 3.37Å; E248-L250 VanDerWaalsContact C-N 3.27Å; E248-L250 PolarHBondContact O-N 2.75Å; L250-N253 PolarHBondContact O-N 3.28Å; L250-N254 PolarHBondContact O-N 3.45Å; L250-N254 PolarHBondContact O-ND2 2.81Å
251	Q	48.6	Very low	45.8	Very low	123 Å²	123	106 Å²	106	58%	0.575	54%	0.535	S	S	*	.	H	α-helix	trans	-65.3	-49.6	173.6	-76.2	169.5	68.9	0	0	111.3	D247 E248 N253 N254 D255	D247-Q251 WeakPolarHBondContact O-CB 3.44Å; D247-Q251 VanDerWaalsContact O-CG 3.3Å; D247-Q251 WeakPolarHBondContact O-CG 3.17Å; D247-Q251 PolarHBondContact O-N 3.03Å; D247-Q251 PolarHBondContact O-NE2 3.15Å; E248-Q251 PolarHBondContact O-N 3.08Å; Q251-N253 PolarHBondContact O-N 3.14Å; Q251-N253 VanDerWaalsContact O-N 3.15Å; Q251-N254 PolarHBondContact O-N 3.06Å; Q251-D255 PolarHBondContact O-N 2.94Å
252	N	43.9	Very low	45.3	Very low	106 Å²	106	108.4 Å²	108.4	57%	0.567	55%	0.552	S	S	*	*	H	α-helix	trans	-60	-26.6	177.8	-72	-50.7	0	0	0	113.6	E248	E248-N252 WeakPolarHBondContact O-CB 3.24Å; E248-N252 PolarHBondContact O-N 2.93Å; E248-N252 PolarHBondContact O-ND2 3.14Å
253	N	43.7	Very low	45.1	Very low	119 Å²	119	113.2 Å²	113.2	64%	0.636	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-8	173.9	-82.8	-90.4	0	0	0	114	L249 L250 Q251	L249-N253 PolarHBondContact O-N 3.32Å; L249-N253 PolarHBondContact O-ND2 3.08Å; L250-N253 PolarHBondContact O-N 3.28Å; Q251-N253 PolarHBondContact O-N 3.14Å; Q251-N253 VanDerWaalsContact O-N 3.15Å
254	N	44.9	Very low	44.9	Very low	115 Å²	115	114.8 Å²	114.8	62%	0.615	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-27	177.5	-71.6	-45.1	0	0	0	113.1	L250 Q251 D256	L250-N254 PolarHBondContact O-N 3.45Å; L250-N254 PolarHBondContact O-ND2 2.81Å; Q251-N254 PolarHBondContact O-N 3.06Å; N254-D256 PolarHBondContact O-N 2.8Å
255	D	42.3	Very low	44.4	Very low	139 Å²	139	116.8 Å²	116.8	74%	0.743	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-7.1	-179.9	-76.3	-15.8	0	0	0	113.8	Q251 H257	Q251-D255 PolarHBondContact O-N 2.94Å; D255-H257 VanDerWaalsContact C-N 3.32Å; D255-H257 PolarHBondContact O-N 2.76Å
256	D	38.4	Very low	44.1	Very low	142 Å²	142	122.5 Å²	122.5	76%	0.759	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	13.6	-179.9	-115.9	-1.6	0	0	0	113.5	N254	N254-D256 PolarHBondContact O-N 2.8Å
257	H	37.1	Very low	44.1	Very low	240 Å²	240	126.7 Å²	126.7	100%	1.111	65%	0.645	S	S	*	*			trans	-136.3	0	-173.7	-82.6	8	0	0	0	115.3	D255	D255-H257 VanDerWaalsContact C-N 3.32Å; D255-H257 PolarHBondContact O-N 2.76Å

Retrieved 257 of 257 residues in 218.2 ms (Link to these results)

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