A0A5K4F5Z0_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A5K4F5Z0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 111 aa.

						>A0A5K4F5Z0_SCHMA|A0A5K4F5Z0
MFSEYFPNQIMRPEYYFLSKSHLFFAIIILGVIQIAYSQKDLEIFRFQIAQCSTMTTTLGANLSYCLFCVQNYREECNDLCASQEENQEICSRICWRFAKYGTFSCKNNVG
					

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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	26.7	Very low	25.7	Very low	242 Å²	242	161.8 Å²	161.8	100%	1.192	79%	0.793	S	S	*	*				0	121.8	0	-100.5	169.2	165.3	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 3.44Å
2	F	22.2	Very low	25.8	Very low	213 Å²	213	162.8 Å²	162.8	93%	0.934	78%	0.781	S	S	*	*			trans	-65.8	121.1	179.5	-76.9	-95.1	0	0	0	109.1	E4	F2-E4 PolarHBondContact O-N 2.64Å
3	S	26.3	Very low	26	Very low	92 Å²	92	157.7 Å²	157.7	64%	0.643	77%	0.77	S	S	*	*			trans	-67.6	119.9	166.1	-65.8	0	0	0	0	107.9	M1 Y5	M1-S3 PolarHBondContact O-N 3.44Å; S3-Y5 VanDerWaalsContact C-N 3.35Å; S3-Y5 WeakPolarHBondContact O-CD2 3.21Å; S3-Y5 PolarHBondContact O-N 3.34Å
4	E	23	Very low	26.3	Very low	177 Å²	177	156.9 Å²	156.9	83%	0.827	76%	0.764	S	S	*	*			trans	-64.4	97.6	167.7	-75.1	179.2	149.3	0	0	108.2	F2 F6	F2-E4 PolarHBondContact O-N 2.64Å; E4-F6 PolarHBondContact O-N 3.39Å; E4-F6 VanDerWaalsContact O-N 3.17Å
5	Y	24.5	Very low	26.7	Very low	203 Å²	203	155.5 Å²	155.5	80%	0.796	75%	0.748	S	S	*	*			trans	-67.7	108.1	166.1	-69.4	-90.9	0	0	0	107.2	S3 P7	S3-Y5 VanDerWaalsContact C-N 3.35Å; S3-Y5 WeakPolarHBondContact O-CD2 3.21Å; S3-Y5 PolarHBondContact O-N 3.34Å; Y5-P7 VanDerWaalsContact O-CD 3.27Å; Y5-P7 WeakPolarHBondContact O-CD 3.46Å; Y5-P7 VanDerWaalsContact O-N 3.11Å
6	F	25.5	Very low	26.9	Very low	166 Å²	166	154.6 Å²	154.6	73%	0.728	74%	0.736	S	S	*	*			trans	-58.4	117.3	167.1	-80.8	-86.8	0	0	0	107.9	E4 N8	E4-F6 PolarHBondContact O-N 3.39Å; E4-F6 VanDerWaalsContact O-N 3.17Å; F6-N8 PolarHBondContact O-N 3.27Å
7	P	25	Very low	27.2	Very low	107 Å²	107	154.9 Å²	154.9	70%	0.695	73%	0.734	S	S	*	*			trans	-63.1	132	-177.6	24.1	-31.9	0	0	0	109	Y5 Q9	Y5-P7 VanDerWaalsContact O-CD 3.27Å; Y5-P7 WeakPolarHBondContact O-CD 3.46Å; Y5-P7 VanDerWaalsContact O-N 3.11Å; P7-Q9 PolarHBondContact O-N 3.14Å
8	N	27.7	Very low	27.6	Very low	151 Å²	151	151.9 Å²	151.9	81%	0.807	72%	0.723	S	S	*	*			trans	-28	94.2	171.6	-74.4	-37.1	0	0	0	112.1	F6 I10	F6-N8 PolarHBondContact O-N 3.27Å; N8-I10 VanDerWaalsContact C-N 3.27Å; N8-I10 PolarHBondContact O-N 3.31Å
9	Q	26.7	Very low	28	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.822	69%	0.691	S	S	*	*			trans	-76.3	92.4	167.5	-71.4	-163.4	10.8	0	0	106.6	P7 M11	P7-Q9 PolarHBondContact O-N 3.14Å; Q9-M11 PolarHBondContact O-N 3.4Å
10	I	27.3	Very low	28.3	Very low	157 Å²	157	144.7 Å²	144.7	81%	0.805	69%	0.687	S	S	*	*			trans	-51.8	110.3	158.8	-62.4	170.7	0	0	0	105.4	N8 R12	N8-I10 VanDerWaalsContact C-N 3.27Å; N8-I10 PolarHBondContact O-N 3.31Å; I10-R12 PolarHBondContact O-N 3.42Å; I10-R12 VanDerWaalsContact O-N 3.1Å
11	M	28.2	Very low	28.8	Very low	96 Å²	96	141.4 Å²	141.4	47%	0.473	68%	0.68	S	S	.	*			trans	-52.6	119.2	-176.9	-84.3	-176.5	-177	0	0	109.6	Q9 Y16	Q9-M11 PolarHBondContact O-N 3.4Å; M11-Y16 HydrophobicContact CB-CE2 4.25Å
12	R	27.1	Very low	29.5	Very low	173 Å²	173	132.2 Å²	132.2	65%	0.653	63%	0.634	S	S	*	*			trans	-64.9	140.9	171.9	-66	-173.5	-166.9	-178.2	4.2	109.2	I10 E14 Y15	I10-R12 PolarHBondContact O-N 3.42Å; I10-R12 VanDerWaalsContact O-N 3.1Å; R12-E14 PolarHBondContact O-N 2.71Å; R12-Y15 HydrophobicContact CB-CD2 4.21Å; R12-Y15 PolarHBondContact O-N 2.94Å
13	P	28.1	Very low	30.2	Very low	97 Å²	97	126.7 Å²	126.7	63%	0.63	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-20.3	-176.9	19.2	-30.5	0	0	0	114.3	Y15 Y16	P13-Y15 PolarHBondContact O-N 3.12Å; P13-Y16 VanDerWaalsContact O-CB 3.31Å; P13-Y16 WeakPolarHBondContact O-CB 3.28Å; P13-Y16 PolarHBondContact O-N 3.08Å
14	E	29.7	Very low	30.9	Very low	147 Å²	147	128.8 Å²	128.8	69%	0.687	61%	0.611	S	S	*	*	H	α-helix	trans	-63	-31.3	175.5	-58.8	170.9	-134.9	0	0	112.3	R12 Y16	R12-E14 PolarHBondContact O-N 2.71Å; E14-Y16 VanDerWaalsContact C-N 3.33Å
15	Y	33.1	Very low	31.8	Very low	135 Å²	135	125.7 Å²	125.7	53%	0.529	60%	0.595	S	S	.	*	H	α-helix	trans	-78.9	-13.5	174.3	-66.7	-80.8	0	0	0	113.4	R12 P13 F17 S19	R12-Y15 HydrophobicContact CB-CD2 4.21Å; R12-Y15 PolarHBondContact O-N 2.94Å; P13-Y15 PolarHBondContact O-N 3.12Å; Y15-F17 VanDerWaalsContact C-N 3.29Å; Y15-F17 PolarHBondContact O-N 2.94Å; Y15-S19 WeakPolarHBondContact O-CB 3.45Å; Y15-S19 PolarHBondContact O-N 3.47Å
16	Y	29.5	Very low	32.7	Very low	142 Å²	142	116.6 Å²	116.6	56%	0.557	56%	0.562	S	S	*	*	H	α-helix	trans	-69.7	-24.9	175	-90.7	-100.2	0	0	0	113	M11 P13 E14 S19 K20	M11-Y16 HydrophobicContact CB-CE2 4.25Å; P13-Y16 VanDerWaalsContact O-CB 3.31Å; P13-Y16 WeakPolarHBondContact O-CB 3.28Å; P13-Y16 PolarHBondContact O-N 3.08Å; E14-Y16 VanDerWaalsContact C-N 3.33Å; Y16-S19 WeakPolarHBondContact CA-OG 3.03Å; Y16-S19 PolarHBondContact O-N 2.83Å; Y16-S19 PolarHBondContact O-OG 2.92Å; Y16-K20 PolarHBondContact O-N 3.49Å
17	F	31.7	Very low	33.5	Very low	159 Å²	159	113 Å²	113	70%	0.697	55%	0.55	S	S	*	.	H	α-helix	trans	-74.5	-41.3	177.9	-94.9	-85.5	0	0	0	112.1	Y15 S19 K20	Y15-F17 VanDerWaalsContact C-N 3.29Å; Y15-F17 PolarHBondContact O-N 2.94Å; F17-S19 VanDerWaalsContact C-N 3.3Å; F17-K20 PolarHBondContact O-N 3.34Å
18	L	34.6	Very low	34.1	Very low	101 Å²	101	111.9 Å²	111.9	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-38.4	168.6	-101.8	129.3	0	0	0	111.2	K20 H22	L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.8Å; L18-H22 PolarHBondContact O-N 2.96Å
19	S	36.1	Very low	34.8	Very low	18 Å²	18	107.6 Å²	107.6	13%	0.126	51%	0.513	C	S	.	.	H	α-helix	trans	-66	-28	177.3	86.6	0	0	0	0	113.4	Y15 Y16 F17 H22 L23	Y15-S19 WeakPolarHBondContact O-CB 3.45Å; Y15-S19 PolarHBondContact O-N 3.47Å; Y16-S19 WeakPolarHBondContact CA-OG 3.03Å; Y16-S19 PolarHBondContact O-N 2.83Å; Y16-S19 PolarHBondContact O-OG 2.92Å; F17-S19 VanDerWaalsContact C-N 3.3Å; S19-H22 CarbonylContact O-C 3.58Å; S19-H22 PolarHBondContact O-N 3.18Å; S19-L23 VanDerWaalsContact O-CB 3.26Å; S19-L23 WeakPolarHBondContact O-CB 3.32Å; S19-L23 PolarHBondContact O-N 3.47Å
20	K	32.6	Very low	35.3	Very low	142 Å²	142	99.9 Å²	99.9	62%	0.617	48%	0.478	S	S	*	.	H	α-helix	trans	-63.8	-45.6	178	-103.5	-176.1	179	178.3	0	113.5	Y16 F17 L18 H22 L23 F24	Y16-K20 PolarHBondContact O-N 3.49Å; F17-K20 PolarHBondContact O-N 3.34Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.8Å; K20-H22 VanDerWaalsContact C-N 3.33Å; K20-L23 WeakPolarHBondContact O-CB 3.27Å; K20-L23 PolarHBondContact O-N 2.88Å; K20-F24 PolarHBondContact O-N 2.86Å
21	S	39.2	Very low	35.6	Very low	75 Å²	75	93.7 Å²	93.7	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-68.3	-36.7	177.9	-61.5	0	0	0	0	111.1	F24 F25	S21-F24 PolarHBondContact O-N 3Å; S21-F25 WeakPolarHBondContact O-CD2 3.24Å; S21-F25 PolarHBondContact O-N 3.26Å
22	H	40.9	Very low	36.2	Very low	50 Å²	50	93.9 Å²	93.9	23%	0.231	46%	0.459	C	S	.	.	H	α-helix	trans	-69.8	-34.1	173.4	-66.8	0.3	0	0	0	112.4	L18 S19 K20 F24 F25 A26 M55	L18-H22 PolarHBondContact O-N 2.96Å; S19-H22 CarbonylContact O-C 3.58Å; S19-H22 PolarHBondContact O-N 3.18Å; K20-H22 VanDerWaalsContact C-N 3.33Å; H22-F24 VanDerWaalsContact C-N 3.33Å; H22-F25 PolarHBondContact O-N 2.99Å; H22-A26 WeakPolarHBondContact O-CB 3.03Å; H22-A26 PolarHBondContact O-N 2.98Å; H22-M55 HydrophobicContact CB-CE 3.96Å
23	L	38.7	Very low	36.5	Very low	97 Å²	97	86.8 Å²	86.8	51%	0.508	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-40.8	170.8	-118.5	117.9	0	0	0	110.3	S19 K20 A26 I27	S19-L23 VanDerWaalsContact O-CB 3.26Å; S19-L23 WeakPolarHBondContact O-CB 3.32Å; S19-L23 PolarHBondContact O-N 3.47Å; K20-L23 WeakPolarHBondContact O-CB 3.27Å; K20-L23 PolarHBondContact O-N 2.88Å; L23-A26 CarbonylContact O-C 3.4Å; L23-A26 PolarHBondContact O-N 3.47Å; L23-I27 HydrophobicContact CD2-CD1 4.06Å; L23-I27 VanDerWaalsContact O-CB 3.27Å; L23-I27 WeakPolarHBondContact O-CB 3.3Å; L23-I27 WeakPolarHBondContact O-CD1 3.49Å; L23-I27 WeakPolarHBondContact O-CG1 3.42Å; L23-I27 PolarHBondContact O-N 3.24Å
24	F	39.7	Very low	36.8	Very low	135 Å²	135	87.4 Å²	87.4	59%	0.592	43%	0.428	S	S	*	.	H	α-helix	trans	-64.6	-44.5	178.6	-153.8	-91.9	0	0	0	111.2	K20 S21 H22 I27 I28	K20-F24 PolarHBondContact O-N 2.86Å; S21-F24 PolarHBondContact O-N 3Å; H22-F24 VanDerWaalsContact C-N 3.33Å; F24-I27 WeakPolarHBondContact O-CB 3.4Å; F24-I27 PolarHBondContact O-N 2.05Å; F24-I28 HydrophobicContact CD1-CD1 3.73Å; F24-I28 HydrophobicContact CD1-CG1 4.27Å; F24-I28 HydrophobicContact CE1-CD1 3.86Å; F24-I28 HydrophobicContact CE1-CG1 4.35Å; F24-I28 WeakPolarHBondContact O-CG1 3.21Å; F24-I28 PolarHBondContact O-N 3.38Å
25	F	42.4	Very low	37.3	Very low	112 Å²	112	87.9 Å²	87.9	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-41.7	172.3	-88.2	-76.3	0	0	0	112.7	S21 H22 I27 I28 I29	S21-F25 WeakPolarHBondContact O-CD2 3.24Å; S21-F25 PolarHBondContact O-N 3.26Å; H22-F25 PolarHBondContact O-N 2.99Å; F25-I27 VanDerWaalsContact C-N 3.27Å; F25-I27 PolarHBondContact O-N 2.95Å; F25-I28 PolarHBondContact O-N 3.24Å; F25-I29 WeakPolarHBondContact O-CB 3.34Å; F25-I29 VanDerWaalsContact O-CG1 3.3Å; F25-I29 WeakPolarHBondContact O-CG1 3.06Å; F25-I29 PolarHBondContact O-N 3.22Å
26	A	43.5	Very low	37.7	Very low	12 Å²	12	85 Å²	85	10%	0.099	44%	0.438	C	S	.	.	H	α-helix	trans	-60.4	-38.8	173.1	0	0	0	0	0	111	H22 L23 I29 L30 I49	H22-A26 WeakPolarHBondContact O-CB 3.03Å; H22-A26 PolarHBondContact O-N 2.98Å; L23-A26 CarbonylContact O-C 3.4Å; L23-A26 PolarHBondContact O-N 3.47Å; A26-I29 PolarHBondContact O-N 2.78Å; A26-L30 WeakPolarHBondContact O-CB 3.44Å; A26-L30 VanDerWaalsContact O-CD1 3.25Å; A26-L30 WeakPolarHBondContact O-CD1 3.49Å; A26-L30 WeakPolarHBondContact O-CG 3.33Å; A26-L30 PolarHBondContact O-N 3.25Å; A26-I49 HydrophobicContact CB-CD1 3.71Å; A26-I49 HydrophobicContact CB-CG2 4.32Å
27	I	41.5	Very low	37.9	Very low	91 Å²	91	84.9 Å²	84.9	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-66.6	-40.6	174.7	-72	162.1	0	0	0	110.8	L23 F24 F25 L30 G31	L23-I27 HydrophobicContact CD2-CD1 4.06Å; L23-I27 VanDerWaalsContact O-CB 3.27Å; L23-I27 WeakPolarHBondContact O-CB 3.3Å; L23-I27 WeakPolarHBondContact O-CD1 3.49Å; L23-I27 WeakPolarHBondContact O-CG1 3.42Å; L23-I27 PolarHBondContact O-N 3.24Å; F24-I27 WeakPolarHBondContact O-CB 3.4Å; F24-I27 PolarHBondContact O-N 2.05Å; F25-I27 VanDerWaalsContact C-N 3.27Å; F25-I27 PolarHBondContact O-N 2.95Å; I27-L30 CarbonylContact O-C 3.56Å; I27-L30 WeakPolarHBondContact O-CB 3.22Å; I27-L30 PolarHBondContact O-N 3.3Å; I27-G31 PolarHBondContact O-N 2.64Å
28	I	38.6	Very low	38.7	Very low	84 Å²	84	80.1 Å²	80.1	43%	0.431	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-47.8	175.2	-69.2	167.2	0	0	0	110.1	F24 F25 L30 G31 V32	F24-I28 HydrophobicContact CD1-CD1 3.73Å; F24-I28 HydrophobicContact CD1-CG1 4.27Å; F24-I28 HydrophobicContact CE1-CD1 3.86Å; F24-I28 HydrophobicContact CE1-CG1 4.35Å; F24-I28 WeakPolarHBondContact O-CG1 3.21Å; F24-I28 PolarHBondContact O-N 3.38Å; F25-I28 PolarHBondContact O-N 3.24Å; I28-L30 VanDerWaalsContact C-N 3.28Å; I28-L30 PolarHBondContact O-N 3.06Å; I28-G31 PolarHBondContact O-N 3.36Å; I28-G31 VanDerWaalsContact O-N 3.13Å; I28-V32 WeakPolarHBondContact O-CG2 3.12Å; I28-V32 PolarHBondContact O-N 3.4Å
29	I	42.8	Very low	39.3	Very low	61 Å²	61	83.4 Å²	83.4	31%	0.313	44%	0.437	S	S	.	.	H	α-helix	trans	-59.3	-43.1	174.6	-66.7	168.1	0	0	0	109.6	F25 A26 G31 V32 I33 F45	F25-I29 WeakPolarHBondContact O-CB 3.34Å; F25-I29 VanDerWaalsContact O-CG1 3.3Å; F25-I29 WeakPolarHBondContact O-CG1 3.06Å; F25-I29 PolarHBondContact O-N 3.22Å; A26-I29 PolarHBondContact O-N 2.78Å; I29-G31 PolarHBondContact O-N 3.32Å; I29-V32 PolarHBondContact O-N 3.1Å; I29-I33 HydrophobicContact CG2-CD1 3.62Å; I29-I33 HydrophobicContact CG2-CG1 4.31Å; I29-I33 WeakPolarHBondContact O-CB 3.19Å; I29-I33 WeakPolarHBondContact O-CG1 2.95Å; I29-I33 PolarHBondContact O-N 3.15Å; I29-F45 HydrophobicContact CG2-CE1 3.7Å; I29-F45 HydrophobicContact CG2-CZ 3.59Å
30	L	37.3	Very low	39.9	Very low	13 Å²	13	87.8 Å²	87.8	7%	0.068	45%	0.453	C	S	.	.	H	α-helix	trans	-63.7	-36.7	174.8	-79	162.5	0	0	0	113.1	A26 I27 I28 I33 Q34 L42 F45 R46	A26-L30 WeakPolarHBondContact O-CB 3.44Å; A26-L30 VanDerWaalsContact O-CD1 3.25Å; A26-L30 WeakPolarHBondContact O-CD1 3.49Å; A26-L30 WeakPolarHBondContact O-CG 3.33Å; A26-L30 PolarHBondContact O-N 3.25Å; I27-L30 CarbonylContact O-C 3.56Å; I27-L30 WeakPolarHBondContact O-CB 3.22Å; I27-L30 PolarHBondContact O-N 3.3Å; I28-L30 VanDerWaalsContact C-N 3.28Å; I28-L30 PolarHBondContact O-N 3.06Å; L30-I33 CarbonylContact O-C 3.52Å; L30-I33 PolarHBondContact O-N 3Å; L30-Q34 WeakPolarHBondContact O-CB 3.47Å; L30-Q34 WeakPolarHBondContact O-CG 3.07Å; L30-Q34 PolarHBondContact O-N 2.94Å; L30-L42 HydrophobicContact CD2-CD1 4.25Å; L30-L42 HydrophobicContact CD2-CD2 4.27Å; L30-L42 HydrophobicContact CD2-CG 3.87Å; L30-F45 HydrophobicContact CD2-CD1 3.52Å; L30-F45 HydrophobicContact CD2-CE1 4.23Å; L30-F45 HydrophobicContact CD2-CG 4.47Å; L30-F45 HydrophobicContact CG-CD1 3.98Å; L30-F45 HydrophobicContact CG-CE1 4.21Å; L30-R46 HydrophobicContact CD1-CG 3.61Å; L30-R46 HydrophobicContact CD2-CB 4.47Å; L30-R46 HydrophobicContact CD2-CG 3.35Å; L30-R46 HydrophobicContact CG-CG 4.14Å
31	G	33.3	Very low	40.5	Very low	27 Å²	27	84 Å²	84	28%	0.278	44%	0.44	S	S	.	.	H	α-helix	trans	-67.5	-39.8	176.4	0	0	0	0	0	111.2	I27 I28 I29 Q34	I27-G31 PolarHBondContact O-N 2.64Å; I28-G31 PolarHBondContact O-N 3.36Å; I28-G31 VanDerWaalsContact O-N 3.13Å; I29-G31 PolarHBondContact O-N 3.32Å; G31-Q34 PolarHBondContact O-N 3.36Å
32	V	39.9	Very low	40.7	Very low	100 Å²	100	80.9 Å²	80.9	61%	0.606	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-42.4	170.4	175.3	0	0	0	0	110.7	I28 I29 I35	I28-V32 WeakPolarHBondContact O-CG2 3.12Å; I28-V32 PolarHBondContact O-N 3.4Å; I29-V32 PolarHBondContact O-N 3.1Å; V32-I35 PolarHBondContact O-N 2.92Å
33	I	33	Very low	41	Very low	24 Å²	24	85 Å²	85	12%	0.123	44%	0.437	C	S	.	.	H	α-helix	trans	-67.6	-34.7	177.6	-68.1	169.2	0	0	0	111.2	I29 L30 I35 A36 Y37 L42 F45	I29-I33 HydrophobicContact CG2-CD1 3.62Å; I29-I33 HydrophobicContact CG2-CG1 4.31Å; I29-I33 WeakPolarHBondContact O-CB 3.19Å; I29-I33 WeakPolarHBondContact O-CG1 2.95Å; I29-I33 PolarHBondContact O-N 3.15Å; L30-I33 CarbonylContact O-C 3.52Å; L30-I33 PolarHBondContact O-N 3Å; I33-I35 PolarHBondContact O-N 3.43Å; I33-A36 CarbonylContact O-C 3.58Å; I33-A36 PolarHBondContact O-N 3.01Å; I33-Y37 HydrophobicContact CB-CD2 4.09Å; I33-Y37 HydrophobicContact CG1-CD2 4.35Å; I33-Y37 HydrophobicContact CG1-CE2 4.49Å; I33-Y37 HydrophobicContact CG2-CD2 3.44Å; I33-Y37 VanDerWaalsContact CG2-CD2 3.44Å; I33-Y37 HydrophobicContact CG2-CE2 4.27Å; I33-Y37 HydrophobicContact CG2-CG 3.84Å; I33-Y37 WeakPolarHBondContact O-CB 3.12Å; I33-Y37 WeakPolarHBondContact O-CD2 3.41Å; I33-Y37 PolarHBondContact O-N 3.47Å; I33-L42 HydrophobicContact CB-CD1 4.13Å; I33-L42 HydrophobicContact CG2-CD1 3.6Å; I33-F45 HydrophobicContact CD1-CD1 3.52Å; I33-F45 HydrophobicContact CD1-CD2 3.85Å; I33-F45 HydrophobicContact CD1-CE1 3.41Å; I33-F45 VanDerWaalsContact CD1-CE1 3.41Å; I33-F45 HydrophobicContact CD1-CE2 3.77Å; I33-F45 HydrophobicContact CD1-CG 3.72Å; I33-F45 HydrophobicContact CD1-CZ 3.54Å
34	Q	34.5	Very low	41.5	Very low	111 Å²	111	82.9 Å²	82.9	52%	0.519	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-28.6	178.2	-88	-177.1	-50.8	0	0	113.5	L30 G31 L42	L30-Q34 WeakPolarHBondContact O-CB 3.47Å; L30-Q34 WeakPolarHBondContact O-CG 3.07Å; L30-Q34 PolarHBondContact O-N 2.94Å; G31-Q34 PolarHBondContact O-N 3.36Å; Q34-L42 HydrophobicContact CB-CD1 4.1Å; Q34-L42 HydrophobicContact CG-CD1 3.36Å; Q34-L42 HydrophobicContact CG-CD2 3.44Å; Q34-L42 VanDerWaalsContact CG-CD2 3.44Å; Q34-L42 HydrophobicContact CG-CG 4.02Å
35	I	40.6	Very low	41.8	Very low	157 Å²	157	77.8 Å²	77.8	81%	0.805	40%	0.403	S	S	*	.	H	α-helix	trans	-78.6	-29	177.1	-59.5	171.9	0	0	0	110.7	V32 I33	V32-I35 PolarHBondContact O-N 2.92Å; I33-I35 PolarHBondContact O-N 3.43Å
36	A	40.5	Very low	42.1	Very low	74 Å²	74	78.7 Å²	78.7	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-102	-19.3	-173.1	0	0	0	0	0	114.7	I33	I33-A36 CarbonylContact O-C 3.58Å; I33-A36 PolarHBondContact O-N 3.01Å
37	Y	34.8	Very low	42.2	Very low	140 Å²	140	78.9 Å²	78.9	55%	0.549	40%	0.401	S	S	.	.	S	Bend	trans	-131.4	151.3	-167.8	-67.8	-89.9	0	0	0	113.3	I33 D41	I33-Y37 HydrophobicContact CB-CD2 4.09Å; I33-Y37 HydrophobicContact CG1-CD2 4.35Å; I33-Y37 HydrophobicContact CG1-CE2 4.49Å; I33-Y37 HydrophobicContact CG2-CD2 3.44Å; I33-Y37 VanDerWaalsContact CG2-CD2 3.44Å; I33-Y37 HydrophobicContact CG2-CE2 4.27Å; I33-Y37 HydrophobicContact CG2-CG 3.84Å; I33-Y37 WeakPolarHBondContact O-CB 3.12Å; I33-Y37 WeakPolarHBondContact O-CD2 3.41Å; I33-Y37 PolarHBondContact O-N 3.47Å; Y37-D41 HydrophobicContact CD1-CB 4.2Å; Y37-D41 HydrophobicContact CG-CB 4.49Å
38	S	48.2	Very low	42.4	Very low	59 Å²	59	76.3 Å²	76.3	41%	0.413	39%	0.388	S	S	.	.			trans	-65.7	155.9	179.1	76.7	0	0	0	0	111.6	K40 D41 L42	S38-K40 PolarHBondContact O-N 3.41Å; S38-K40 VanDerWaalsContact O-N 3.11Å; S38-D41 WeakPolarHBondContact CB-OD2 3.17Å; S38-D41 PolarHBondContact N-OD2 2.94Å; S38-D41 PolarHBondContact O-N 3.37Å; S38-D41 PolarHBondContact OG-N 2.96Å; S38-D41 PolarHBondContact OG-OD2 3.38Å; S38-L42 PolarHBondContact O-N 2.86Å
39	Q	48	Very low	42.8	Very low	170 Å²	170	74.7 Å²	74.7	79%	0.794	38%	0.379	S	S	*	.	H	α-helix	trans	-53.8	-33.3	175.6	-82.2	-162.5	-13.5	0	0	112.8	L42 E43	Q39-L42 WeakPolarHBondContact O-CB 3.38Å; Q39-L42 PolarHBondContact O-N 3.04Å; Q39-E43 PolarHBondContact O-N 2.06Å
40	K	47.8	Very low	43	Very low	109 Å²	109	75.6 Å²	75.6	47%	0.474	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-44.9	176.1	-174.3	-178.3	177.6	-176.3	0	111.2	S38 L42 I44	S38-K40 PolarHBondContact O-N 3.41Å; S38-K40 VanDerWaalsContact O-N 3.11Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-I44 HydrophobicContact CG-CD1 4.45Å; K40-I44 WeakPolarHBondContact O-CD1 3.26Å; K40-I44 VanDerWaalsContact O-CG1 3.27Å; K40-I44 WeakPolarHBondContact O-CG1 3.34Å; K40-I44 PolarHBondContact O-N 3.31Å; K40-I44 VanDerWaalsContact O-N 3.17Å
41	D	44.5	Very low	43.4	Very low	64 Å²	64	76.5 Å²	76.5	34%	0.342	40%	0.399	S	S	.	.	H	α-helix	trans	-71.4	-31.1	178.8	-55.9	-41	0	0	0	111.6	Y37 S38 I44 F45	Y37-D41 HydrophobicContact CD1-CB 4.2Å; Y37-D41 HydrophobicContact CG-CB 4.49Å; S38-D41 WeakPolarHBondContact CB-OD2 3.17Å; S38-D41 PolarHBondContact N-OD2 2.94Å; S38-D41 PolarHBondContact O-N 3.37Å; S38-D41 PolarHBondContact OG-N 2.96Å; S38-D41 PolarHBondContact OG-OD2 3.38Å; D41-I44 WeakPolarHBondContact O-CB 3.38Å; D41-I44 PolarHBondContact O-N 3.17Å; D41-F45 PolarHBondContact O-N 2.94Å
42	L	44.3	Very low	44.1	Very low	9 Å²	9	76.1 Å²	76.1	5%	0.047	39%	0.392	C	S	.	.	H	α-helix	trans	-67.7	-43.7	175.8	-147.4	94.2	0	0	0	112.6	L30 I33 Q34 S38 Q39 K40 I44 F45 R46	L30-L42 HydrophobicContact CD2-CD1 4.25Å; L30-L42 HydrophobicContact CD2-CD2 4.27Å; L30-L42 HydrophobicContact CD2-CG 3.87Å; I33-L42 HydrophobicContact CB-CD1 4.13Å; I33-L42 HydrophobicContact CG2-CD1 3.6Å; Q34-L42 HydrophobicContact CB-CD1 4.1Å; Q34-L42 HydrophobicContact CG-CD1 3.36Å; Q34-L42 HydrophobicContact CG-CD2 3.44Å; Q34-L42 VanDerWaalsContact CG-CD2 3.44Å; Q34-L42 HydrophobicContact CG-CG 4.02Å; S38-L42 PolarHBondContact O-N 2.86Å; Q39-L42 WeakPolarHBondContact O-CB 3.38Å; Q39-L42 PolarHBondContact O-N 3.04Å; K40-L42 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.44Å; L42-F45 PolarHBondContact O-N 2.99Å; L42-R46 WeakPolarHBondContact O-CB 3.1Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 3.17Å
43	E	47.9	Very low	44.4	Very low	137 Å²	137	75.7 Å²	75.7	64%	0.64	39%	0.394	S	S	*	.	H	α-helix	trans	-60.9	-38.8	173.1	-74.9	-168.1	160.3	0	0	110.8	Q39 F47	Q39-E43 PolarHBondContact O-N 2.06Å; E43-F47 WeakPolarHBondContact O-CB 3.27Å; E43-F47 PolarHBondContact O-N 3.01Å; E43-F47 VanDerWaalsContact O-N 3.09Å
44	I	48.4	Very low	44.9	Very low	51 Å²	51	76.9 Å²	76.9	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-52.4	172.9	-67.9	164.7	0	0	0	110.5	K40 D41 L42 F47 Q48 W96	K40-I44 HydrophobicContact CG-CD1 4.45Å; K40-I44 WeakPolarHBondContact O-CD1 3.26Å; K40-I44 VanDerWaalsContact O-CG1 3.27Å; K40-I44 WeakPolarHBondContact O-CG1 3.34Å; K40-I44 PolarHBondContact O-N 3.31Å; K40-I44 VanDerWaalsContact O-N 3.17Å; D41-I44 WeakPolarHBondContact O-CB 3.38Å; D41-I44 PolarHBondContact O-N 3.17Å; L42-I44 PolarHBondContact O-N 3.44Å; I44-F47 WeakPolarHBondContact O-CB 3.47Å; I44-F47 PolarHBondContact O-N 3.29Å; I44-Q48 HydrophobicContact CG2-CG 4.36Å; I44-Q48 VanDerWaalsContact O-CG 3.23Å; I44-Q48 WeakPolarHBondContact O-CG 3.36Å; I44-Q48 PolarHBondContact O-N 3.4Å; I44-W96 HydrophobicContact CB-CH2 4.14Å; I44-W96 HydrophobicContact CB-CZ2 4.36Å; I44-W96 HydrophobicContact CG1-CH2 3.75Å; I44-W96 HydrophobicContact CG1-CZ2 4.24Å; I44-W96 HydrophobicContact CG1-CZ3 4.46Å; I44-W96 HydrophobicContact CG2-CH2 4.24Å; I44-W96 HydrophobicContact CG2-CZ2 3.95Å
45	F	46.1	Very low	45.2	Very low	29 Å²	29	74.8 Å²	74.8	13%	0.127	39%	0.393	C	S	.	.	H	α-helix	trans	-67.3	-42.8	-177.6	-171.8	-95.7	0	0	0	113.8	I29 L30 I33 D41 L42 F47 Q48 I49	I29-F45 HydrophobicContact CG2-CE1 3.7Å; I29-F45 HydrophobicContact CG2-CZ 3.59Å; L30-F45 HydrophobicContact CD2-CD1 3.52Å; L30-F45 HydrophobicContact CD2-CE1 4.23Å; L30-F45 HydrophobicContact CD2-CG 4.47Å; L30-F45 HydrophobicContact CG-CD1 3.98Å; L30-F45 HydrophobicContact CG-CE1 4.21Å; I33-F45 HydrophobicContact CD1-CD1 3.52Å; I33-F45 HydrophobicContact CD1-CD2 3.85Å; I33-F45 HydrophobicContact CD1-CE1 3.41Å; I33-F45 VanDerWaalsContact CD1-CE1 3.41Å; I33-F45 HydrophobicContact CD1-CE2 3.77Å; I33-F45 HydrophobicContact CD1-CG 3.72Å; I33-F45 HydrophobicContact CD1-CZ 3.54Å; D41-F45 PolarHBondContact O-N 2.94Å; L42-F45 PolarHBondContact O-N 2.99Å; F45-F47 PolarHBondContact O-N 3.04Å; F45-Q48 WeakPolarHBondContact O-CB 3.38Å; F45-Q48 PolarHBondContact O-N 3.31Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; F45-I49 HydrophobicContact CD1-CD1 4.03Å; F45-I49 HydrophobicContact CE1-CD1 3.36Å; F45-I49 HydrophobicContact CE1-CG1 4.21Å; F45-I49 HydrophobicContact CZ-CD1 3.78Å; F45-I49 HydrophobicContact CZ-CG1 4.4Å; F45-I49 PolarHBondContact O-N 3.45Å
46	R	48.1	Very low	45.2	Very low	130 Å²	130	73.4 Å²	73.4	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-55	-39.6	173	-75.5	-175.5	177	179.9	-0.3	111.1	L30 L42 A50	L30-R46 HydrophobicContact CD1-CG 3.61Å; L30-R46 HydrophobicContact CD2-CB 4.47Å; L30-R46 HydrophobicContact CD2-CG 3.35Å; L30-R46 HydrophobicContact CG-CG 4.14Å; L42-R46 WeakPolarHBondContact O-CB 3.1Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 3.17Å; R46-A50 PolarHBondContact O-N 2.99Å
47	F	46.5	Very low	45.2	Very low	16 Å²	16	73.4 Å²	73.4	7%	0.07	39%	0.385	C	S	.	.	H	α-helix	trans	-73.4	-38.7	180	173.5	-102.3	0	0	0	112.7	E43 I44 F45 I49 A50 Q51 W96 K100	E43-F47 WeakPolarHBondContact O-CB 3.27Å; E43-F47 PolarHBondContact O-N 3.01Å; E43-F47 VanDerWaalsContact O-N 3.09Å; I44-F47 WeakPolarHBondContact O-CB 3.47Å; I44-F47 PolarHBondContact O-N 3.29Å; F45-F47 PolarHBondContact O-N 3.04Å; F47-I49 VanDerWaalsContact C-N 3.28Å; F47-I49 PolarHBondContact O-N 2.86Å; F47-A50 PolarHBondContact O-N 2.98Å; F47-Q51 HydrophobicContact CE2-CG 3.92Å; F47-Q51 VanDerWaalsContact CZ-CD 3.48Å; F47-Q51 HydrophobicContact CZ-CG 3.97Å; F47-Q51 PolarHBondContact O-N 3.19Å; F47-W96 HydrophobicContact CB-CH2 4.22Å; F47-W96 HydrophobicContact CD1-CD2 4.29Å; F47-W96 AromaticContact CD1-CE2 3.61Å; F47-W96 HydrophobicContact CD1-CE3 4.39Å; F47-W96 AromaticContact CD1-CH2 3.14Å; F47-W96 HydrophobicContact CD1-CH2 3.14Å; F47-W96 AromaticContact CD1-CZ2 3.05Å; F47-W96 HydrophobicContact CD1-CZ2 3.05Å; F47-W96 AromaticContact CD1-CZ3 3.86Å; F47-W96 HydrophobicContact CD1-CZ3 3.86Å; F47-W96 AromaticContact CE1-CD2 3.8Å; F47-W96 HydrophobicContact CE1-CD2 3.8Å; F47-W96 AromaticContact CE1-CE2 3.37Å; F47-W96 HydrophobicContact CE1-CE3 4.13Å; F47-W96 AromaticContact CE1-CH2 3.67Å; F47-W96 HydrophobicContact CE1-CH2 3.67Å; F47-W96 AromaticContact CE1-CZ2 3.37Å; F47-W96 HydrophobicContact CE1-CZ2 3.37Å; F47-W96 HydrophobicContact CE1-CZ3 4.05Å; F47-W96 AromaticContact CE1-NE1 3.78Å; F47-W96 AromaticContact CG-CH2 3.91Å; F47-W96 HydrophobicContact CG-CH2 3.91Å; F47-W96 HydrophobicContact CG-CZ2 4.18Å; F47-K100 HydrophobicContact CD2-CB 4.23Å; F47-K100 HydrophobicContact CD2-CD 3.49Å; F47-K100 VanDerWaalsContact CD2-CD 3.49Å; F47-K100 HydrophobicContact CD2-CG 3.79Å; F47-K100 HydrophobicContact CE1-CB 4.49Å; F47-K100 VanDerWaalsContact CE2-CA 3.44Å; F47-K100 HydrophobicContact CE2-CB 3.14Å; F47-K100 HydrophobicContact CE2-CD 3.25Å; F47-K100 HydrophobicContact CE2-CG 3.06Å; F47-K100 HydrophobicContact CZ-CB 3.23Å; F47-K100 HydrophobicContact CZ-CD 3.96Å; F47-K100 HydrophobicContact CZ-CG 3.76Å
48	Q	44.5	Very low	45.7	Very low	38 Å²	38	72 Å²	72	18%	0.178	39%	0.391	C	S	.	.	H	α-helix	trans	-55.9	-40.3	173.8	-72.6	177.2	-7.2	0	0	112.7	I44 F45 V70	I44-Q48 HydrophobicContact CG2-CG 4.36Å; I44-Q48 VanDerWaalsContact O-CG 3.23Å; I44-Q48 WeakPolarHBondContact O-CG 3.36Å; I44-Q48 PolarHBondContact O-N 3.4Å; F45-Q48 WeakPolarHBondContact O-CB 3.38Å; F45-Q48 PolarHBondContact O-N 3.31Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-V70 HydrophobicContact CB-CG2 3.63Å; Q48-V70 HydrophobicContact CG-CB 4.09Å; Q48-V70 HydrophobicContact CG-CG1 3.5Å; Q48-V70 HydrophobicContact CG-CG2 3.52Å
49	I	47.6	Very low	45.5	Very low	50 Å²	50	73.3 Å²	73.3	26%	0.256	39%	0.393	S	S	.	.	H	α-helix	trans	-73.3	-39.4	178.9	-65.5	-179.9	0	0	0	111.8	A26 F45 F47 Q51 C52	A26-I49 HydrophobicContact CB-CD1 3.71Å; A26-I49 HydrophobicContact CB-CG2 4.32Å; F45-I49 HydrophobicContact CD1-CD1 4.03Å; F45-I49 HydrophobicContact CE1-CD1 3.36Å; F45-I49 HydrophobicContact CE1-CG1 4.21Å; F45-I49 HydrophobicContact CZ-CD1 3.78Å; F45-I49 HydrophobicContact CZ-CG1 4.4Å; F45-I49 PolarHBondContact O-N 3.45Å; F47-I49 VanDerWaalsContact C-N 3.28Å; F47-I49 PolarHBondContact O-N 2.86Å; I49-Q51 PolarHBondContact O-N 2.8Å; I49-C52 PolarHBondContact O-N 3.11Å; I49-C52 VanDerWaalsContact O-N 3.14Å
50	A	47.2	Very low	45.3	Very low	79 Å²	79	67.5 Å²	67.5	65%	0.653	38%	0.379	S	S	*	.	H	α-helix	trans	-63.9	-23.3	-176.3	0	0	0	0	0	113.7	R46 F47	R46-A50 PolarHBondContact O-N 2.99Å; F47-A50 PolarHBondContact O-N 2.98Å
51	Q	44.8	Very low	45.3	Very low	32 Å²	32	64.5 Å²	64.5	15%	0.15	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-14	177.5	-71.5	-171.5	-42.3	0	0	114.3	F47 I49 S53 A99	F47-Q51 HydrophobicContact CE2-CG 3.92Å; F47-Q51 VanDerWaalsContact CZ-CD 3.48Å; F47-Q51 HydrophobicContact CZ-CG 3.97Å; F47-Q51 PolarHBondContact O-N 3.19Å; I49-Q51 PolarHBondContact O-N 2.8Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 2.99Å; Q51-A99 PolarHBondContact NE2-O 3.03Å
52	C	48	Very low	45.5	Very low	19 Å²	19	62.1 Å²	62.1	13%	0.128	36%	0.362	C	S	.	.			trans	-77.2	84.9	176.1	-88.5	0	0	0	0	111.3	I49 T54 C66	I49-C52 PolarHBondContact O-N 3.11Å; I49-C52 VanDerWaalsContact O-N 3.14Å; C52-T54 PolarHBondContact O-N 3.21Å; C52-C66 HydrophobicContact CB-CB 4.3Å; C52-C66 WeakPolarHBondContact CB-SG 3.06Å; C52-C66 WeakPolarHBondContact SG-CA 3.4Å; C52-C66 WeakPolarHBondContact SG-CB 3.37Å; C52-C66 CovalentContact SG-SG 2Å; C52-C66 PolarHBondContact SG-SG 3.49Å
53	S	47.5	Very low	45.8	Very low	91 Å²	91	64.8 Å²	64.8	64%	0.636	38%	0.375	S	S	*	.			trans	-71.2	-12.7	174.8	59.3	0	0	0	0	113.4	Q51 M55	Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 2.99Å; S53-M55 PolarHBondContact O-N 3.35Å
54	T	43.5	Very low	46	Very low	49 Å²	49	62.1 Å²	62.1	30%	0.301	37%	0.372	S	S	.	.			trans	-101.5	84.6	-173.8	57.2	0	0	0	0	112.1	C52 T56 Y65	C52-T54 PolarHBondContact O-N 3.21Å; T54-T56 VanDerWaalsContact C-N 3.31Å; T54-T56 PolarHBondContact O-N 2.87Å; T54-Y65 VanDerWaalsContact OG1-CE1 3.29Å; T54-Y65 WeakPolarHBondContact OG1-CE1 3.47Å
55	M	41	Very low	46.1	Very low	67 Å²	67	61.4 Å²	61.4	33%	0.33	37%	0.366	S	S	.	.			trans	-87.5	55.4	169.9	-72.3	-169.6	-179.8	0	0	112.2	H22 S53	H22-M55 HydrophobicContact CB-CE 3.96Å; S53-M55 PolarHBondContact O-N 3.35Å
56	T	39.2	Very low	46.5	Very low	129 Å²	129	60.6 Å²	60.6	79%	0.791	36%	0.364	S	S	*	.			trans	-110.6	-5.5	175.7	52.7	0	0	0	0	114.3	T54	T54-T56 VanDerWaalsContact C-N 3.31Å; T54-T56 PolarHBondContact O-N 2.87Å
57	T	42.1	Very low	46.7	Very low	74 Å²	74	57.7 Å²	57.7	45%	0.454	36%	0.358	S	S	.	.	S	Bend	trans	-115.9	172.1	178.7	76.1	0	0	0	0	113.2	A61 N62	T57-A61 WeakPolarHBondContact OG1-CB 3.46Å; T57-N62 PolarHBondContact N-OD1 2.79Å; T57-N62 PolarHBondContact O-ND2 2.01Å; T57-N62 PolarHBondContact O-OD1 3.02Å; T57-N62 PolarHBondContact OG1-N 2.97Å; T57-N62 PolarHBondContact OG1-OD1 3.43Å
58	T	43.6	Very low	47.2	Very low	111 Å²	111	60.7 Å²	60.7	68%	0.681	37%	0.371	S	S	*	.			trans	-63.6	150.8	178.2	51.4	0	0	0	0	111.1	G60 A61 N62	T58-G60 PolarHBondContact O-N 2.9Å; T58-A61 PolarHBondContact O-N 3.02Å; T58-N62 PolarHBondContact O-N 3.3Å
59	L	44.5	Very low	47.6	Very low	86 Å²	86	59.1 Å²	59.1	45%	0.45	36%	0.364	S	S	.	.	H	α-helix	trans	-47.1	-41.3	-172.6	-175.8	69	0	0	0	114.2	L63	L59-L63 PolarHBondContact O-N 3.14Å
60	G	44	Very low	48.1	Very low	48 Å²	48	57.2 Å²	57.2	50%	0.495	35%	0.354	S	S	.	.	H	α-helix	trans	-66.8	-44.9	178.9	0	0	0	0	0	113.3	T58 N62 L63 S64	T58-G60 PolarHBondContact O-N 2.9Å; G60-N62 VanDerWaalsContact C-N 3.34Å; G60-L63 PolarHBondContact O-N 3.27Å; G60-S64 PolarHBondContact O-N 3.46Å; G60-S64 VanDerWaalsContact O-N 3.09Å; G60-S64 PolarHBondContact O-OG 2.89Å
61	A	47.7	Very low	48.5	Very low	45 Å²	45	59.1 Å²	59.1	37%	0.372	35%	0.35	S	S	.	.	H	α-helix	trans	-66.7	-37.8	177.2	0	0	0	0	0	111.5	T57 T58 S64 Y65	T57-A61 WeakPolarHBondContact OG1-CB 3.46Å; T58-A61 PolarHBondContact O-N 3.02Å; A61-S64 PolarHBondContact O-N 3.31Å; A61-Y65 VanDerWaalsContact O-CB 3.3Å; A61-Y65 WeakPolarHBondContact O-CB 3.47Å; A61-Y65 PolarHBondContact O-N 3.27Å
62	N	49.7	Very low	49.1	Very low	15 Å²	15	59.7 Å²	59.7	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-47.5	173.8	-69.3	-23.1	0	0	0	111	T57 T58 G60 S64 Y65 C66	T57-N62 PolarHBondContact N-OD1 2.79Å; T57-N62 PolarHBondContact O-ND2 2.01Å; T57-N62 PolarHBondContact O-OD1 3.02Å; T57-N62 PolarHBondContact OG1-N 2.97Å; T57-N62 PolarHBondContact OG1-OD1 3.43Å; T58-N62 PolarHBondContact O-N 3.3Å; G60-N62 VanDerWaalsContact C-N 3.34Å; N62-S64 PolarHBondContact O-N 3.38Å; N62-Y65 PolarHBondContact O-N 3.45Å; N62-C66 WeakPolarHBondContact O-CB 3.27Å; N62-C66 PolarHBondContact O-N 3.38Å; N62-C66 PolarHBondContact O-SG 3.29Å
63	L	49.7	Very low	49.7	Very low	65 Å²	65	59.2 Å²	59.2	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-45.6	-179.8	-176.8	65.3	0	0	0	111.8	L59 G60 Y65 C66 L67	L59-L63 PolarHBondContact O-N 3.14Å; G60-L63 PolarHBondContact O-N 3.27Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; L63-Y65 PolarHBondContact O-N 2.95Å; L63-C66 WeakPolarHBondContact O-CB 3.43Å; L63-C66 PolarHBondContact O-N 3.45Å; L63-L67 HydrophobicContact CD1-CG 4.46Å; L63-L67 HydrophobicContact CG-CD1 4.15Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 2.87Å; L63-L67 PolarHBondContact O-N 3.49Å
64	S	51.8	Low	50.3	Low	81 Å²	81	62.7 Å²	62.7	57%	0.566	35%	0.349	S	S	*	.	H	α-helix	trans	-59.9	-42.7	175.9	-66.8	0	0	0	0	111.8	G60 A61 N62 L67 F68	G60-S64 PolarHBondContact O-N 3.46Å; G60-S64 VanDerWaalsContact O-N 3.09Å; G60-S64 PolarHBondContact O-OG 2.89Å; A61-S64 PolarHBondContact O-N 3.31Å; N62-S64 PolarHBondContact O-N 3.38Å; S64-L67 PolarHBondContact O-N 3.01Å; S64-F68 WeakPolarHBondContact O-CB 3.41Å; S64-F68 PolarHBondContact O-N 3.48Å
65	Y	52.2	Low	51.2	Low	36 Å²	36	66 Å²	66	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-43.1	174.8	-178.7	-111.1	0	0	0	112	T54 A61 N62 L63 L67 F68 C69 C106 N108	T54-Y65 VanDerWaalsContact OG1-CE1 3.29Å; T54-Y65 WeakPolarHBondContact OG1-CE1 3.47Å; A61-Y65 VanDerWaalsContact O-CB 3.3Å; A61-Y65 WeakPolarHBondContact O-CB 3.47Å; A61-Y65 PolarHBondContact O-N 3.27Å; N62-Y65 PolarHBondContact O-N 3.45Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; L63-Y65 PolarHBondContact O-N 2.95Å; Y65-L67 PolarHBondContact O-N 2.87Å; Y65-F68 PolarHBondContact O-N 3.21Å; Y65-C69 VanDerWaalsContact CE1-SG 3.54Å; Y65-C69 VanDerWaalsContact O-CB 3.32Å; Y65-C69 WeakPolarHBondContact O-CB 3.39Å; Y65-C69 PolarHBondContact O-N 3.16Å; Y65-C69 PolarHBondContact O-SG 2.88Å; Y65-C69 VanDerWaalsContact O-SG 3.38Å; Y65-C106 HydrophobicContact CE1-CB 4.2Å; Y65-C106 HydrophobicContact CE2-CB 4.35Å; Y65-C106 WeakPolarHBondContact OH-CB 3.34Å; Y65-C106 PolarHBondContact OH-O 3.32Å; Y65-C106 VanDerWaalsContact OH-O 3.14Å; Y65-N108 WeakPolarHBondContact CD2-OD1 3.44Å; Y65-N108 HydrophobicContact CE2-CB 4.4Å; Y65-N108 WeakPolarHBondContact CE2-OD1 3.31Å; Y65-N108 VanDerWaalsContact CZ-OD1 3.27Å; Y65-N108 PolarHBondContact OH-OD1 3.34Å
66	C	53	Low	52.2	Low	11 Å²	11	67 Å²	67	7%	0.074	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-45	175.9	-60.7	0	0	0	0	112.3	C52 N62 L63 F68 C69 V70	C52-C66 HydrophobicContact CB-CB 4.3Å; C52-C66 WeakPolarHBondContact CB-SG 3.06Å; C52-C66 WeakPolarHBondContact SG-CA 3.4Å; C52-C66 WeakPolarHBondContact SG-CB 3.37Å; C52-C66 CovalentContact SG-SG 2Å; C52-C66 PolarHBondContact SG-SG 3.49Å; N62-C66 WeakPolarHBondContact O-CB 3.27Å; N62-C66 PolarHBondContact O-N 3.38Å; N62-C66 PolarHBondContact O-SG 3.29Å; L63-C66 WeakPolarHBondContact O-CB 3.43Å; L63-C66 PolarHBondContact O-N 3.45Å; C66-F68 VanDerWaalsContact C-N 3.32Å; C66-F68 PolarHBondContact O-N 3.36Å; C66-C69 WeakPolarHBondContact O-CB 3.38Å; C66-C69 PolarHBondContact O-N 3.23Å; C66-V70 WeakPolarHBondContact O-CB 3.12Å; C66-V70 WeakPolarHBondContact O-CG2 2.88Å; C66-V70 PolarHBondContact O-N 2.83Å
67	L	53.4	Low	53.2	Low	70 Å²	70	61 Å²	61	37%	0.366	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-42.6	177.8	-70.8	172	0	0	0	110.9	L63 S64 Y65 V70 Q71	L63-L67 HydrophobicContact CD1-CG 4.46Å; L63-L67 HydrophobicContact CG-CD1 4.15Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 2.87Å; L63-L67 PolarHBondContact O-N 3.49Å; S64-L67 PolarHBondContact O-N 3.01Å; Y65-L67 PolarHBondContact O-N 2.87Å; L67-V70 PolarHBondContact O-N 3.02Å; L67-Q71 WeakPolarHBondContact O-CB 3.17Å; L67-Q71 VanDerWaalsContact O-CG 3.27Å; L67-Q71 WeakPolarHBondContact O-CG 3.19Å; L67-Q71 PolarHBondContact O-N 2.82Å
68	F	55.9	Low	54.1	Low	79 Å²	79	60.8 Å²	60.8	35%	0.346	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-49.2	176.1	179.8	-106.5	0	0	0	112.4	S64 Y65 C66 V70 Q71 N72	S64-F68 WeakPolarHBondContact O-CB 3.41Å; S64-F68 PolarHBondContact O-N 3.48Å; Y65-F68 PolarHBondContact O-N 3.21Å; C66-F68 VanDerWaalsContact C-N 3.32Å; C66-F68 PolarHBondContact O-N 3.36Å; F68-V70 VanDerWaalsContact C-N 3.29Å; F68-V70 PolarHBondContact O-N 3.09Å; F68-Q71 PolarHBondContact O-N 3.2Å; F68-Q71 VanDerWaalsContact O-N 3.17Å; F68-N72 WeakPolarHBondContact CD1-ND2 3.32Å; F68-N72 WeakPolarHBondContact CE1-ND2 3.47Å; F68-N72 WeakPolarHBondContact CZ-ND2 3.3Å; F68-N72 VanDerWaalsContact O-CG 3.31Å; F68-N72 PolarHBondContact O-N 3.34Å
69	C	53.9	Low	55.1	Low	4 Å²	4	61 Å²	61	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-49	-50.8	173.4	-87.7	0	0	0	0	112.6	Y65 C66 N72 Y73 C106	Y65-C69 VanDerWaalsContact CE1-SG 3.54Å; Y65-C69 VanDerWaalsContact O-CB 3.32Å; Y65-C69 WeakPolarHBondContact O-CB 3.39Å; Y65-C69 PolarHBondContact O-N 3.16Å; Y65-C69 PolarHBondContact O-SG 2.88Å; Y65-C69 VanDerWaalsContact O-SG 3.38Å; C66-C69 WeakPolarHBondContact O-CB 3.38Å; C66-C69 PolarHBondContact O-N 3.23Å; C69-N72 PolarHBondContact O-N 3.21Å; C69-Y73 WeakPolarHBondContact O-CD2 3.32Å; C69-Y73 PolarHBondContact O-N 3.09Å; C69-C106 HydrophobicContact CB-CB 4.23Å; C69-C106 WeakPolarHBondContact CB-SG 3.48Å; C69-C106 WeakPolarHBondContact SG-CB 3.35Å; C69-C106 CovalentContact SG-SG 2.01Å; C69-C106 PolarHBondContact SG-SG 3.23Å
70	V	57	Low	55.8	Low	10 Å²	10	61.4 Å²	61.4	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-41.9	-178.1	163.9	0	0	0	0	111.3	Q48 C66 L67 F68 Y73 R74	Q48-V70 HydrophobicContact CB-CG2 3.63Å; Q48-V70 HydrophobicContact CG-CB 4.09Å; Q48-V70 HydrophobicContact CG-CG1 3.5Å; Q48-V70 HydrophobicContact CG-CG2 3.52Å; C66-V70 WeakPolarHBondContact O-CB 3.12Å; C66-V70 WeakPolarHBondContact O-CG2 2.88Å; C66-V70 PolarHBondContact O-N 2.83Å; L67-V70 PolarHBondContact O-N 3.02Å; F68-V70 VanDerWaalsContact C-N 3.29Å; F68-V70 PolarHBondContact O-N 3.09Å; V70-Y73 PolarHBondContact O-N 2.86Å; V70-R74 WeakPolarHBondContact O-CB 3.23Å; V70-R74 PolarHBondContact O-N 2.83Å
71	Q	56.1	Low	56.7	Low	119 Å²	119	59.2 Å²	59.2	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-61.3	-46.7	176.6	-76.5	174.2	-17.2	0	0	110.6	L67 F68 Y73 R74 E75	L67-Q71 WeakPolarHBondContact O-CB 3.17Å; L67-Q71 VanDerWaalsContact O-CG 3.27Å; L67-Q71 WeakPolarHBondContact O-CG 3.19Å; L67-Q71 PolarHBondContact O-N 2.82Å; F68-Q71 PolarHBondContact O-N 3.2Å; F68-Q71 VanDerWaalsContact O-N 3.17Å; Q71-Y73 PolarHBondContact O-N 3.27Å; Q71-R74 WeakPolarHBondContact O-CB 3.12Å; Q71-R74 PolarHBondContact O-N 2.74Å; Q71-R74 VanDerWaalsContact O-N 3.15Å; Q71-E75 PolarHBondContact O-N 3.42Å
72	N	56.7	Low	57.4	Low	44 Å²	44	60.2 Å²	60.2	24%	0.235	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-43	178.4	-66.6	-13.8	0	0	0	112.4	F68 C69 R74 E75 E76	F68-N72 WeakPolarHBondContact CD1-ND2 3.32Å; F68-N72 WeakPolarHBondContact CE1-ND2 3.47Å; F68-N72 WeakPolarHBondContact CZ-ND2 3.3Å; F68-N72 VanDerWaalsContact O-CG 3.31Å; F68-N72 PolarHBondContact O-N 3.34Å; C69-N72 PolarHBondContact O-N 3.21Å; N72-R74 VanDerWaalsContact C-N 3.28Å; N72-R74 PolarHBondContact O-N 3.47Å; N72-E75 PolarHBondContact O-N 3.43Å; N72-E76 PolarHBondContact O-N 2.94Å
73	Y	61	Low	58.2	Low	10 Å²	10	63.7 Å²	63.7	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-30.8	176.5	-66.6	-38.5	0	0	0	113.7	C69 V70 Q71 E75 C77 F104 S105 C106	C69-Y73 WeakPolarHBondContact O-CD2 3.32Å; C69-Y73 PolarHBondContact O-N 3.09Å; V70-Y73 PolarHBondContact O-N 2.86Å; Q71-Y73 PolarHBondContact O-N 3.27Å; Y73-E75 VanDerWaalsContact C-N 3.33Å; Y73-C77 WeakPolarHBondContact O-CB 3.43Å; Y73-C77 PolarHBondContact O-N 3.17Å; Y73-F104 HydrophobicContact CD1-CB 3.64Å; Y73-F104 HydrophobicContact CD1-CD1 4.03Å; Y73-F104 AromaticContact CD1-CG 3.96Å; Y73-F104 HydrophobicContact CD1-CG 3.96Å; Y73-F104 HydrophobicContact CE1-CB 3.09Å; Y73-F104 AromaticContact CE1-CD1 4Å; Y73-F104 HydrophobicContact CE1-CD1 4Å; Y73-F104 AromaticContact CE1-CG 3.85Å; Y73-F104 HydrophobicContact CE1-CG 3.85Å; Y73-F104 HydrophobicContact CE2-CB 4.27Å; Y73-F104 HydrophobicContact CG-CB 4.5Å; Y73-F104 WeakPolarHBondContact OH-CB 3.46Å; Y73-F104 PolarHBondContact OH-O 3.31Å; Y73-S105 WeakPolarHBondContact OH-CA 3.26Å; Y73-S105 PolarHBondContact OH-N 3.06Å; Y73-S105 PolarHBondContact OH-O 3.31Å; Y73-C106 VanDerWaalsContact OH-CA 3.3Å; Y73-C106 WeakPolarHBondContact OH-CA 3.5Å; Y73-C106 PolarHBondContact OH-N 2.87Å
74	R	61.4	Low	58.2	Low	163 Å²	163	65.9 Å²	65.9	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-65.2	-42.5	172.7	-174.3	-178.6	178.4	-145.9	-1.2	110.3	V70 Q71 N72 N78	V70-R74 WeakPolarHBondContact O-CB 3.23Å; V70-R74 PolarHBondContact O-N 2.83Å; Q71-R74 WeakPolarHBondContact O-CB 3.12Å; Q71-R74 PolarHBondContact O-N 2.74Å; Q71-R74 VanDerWaalsContact O-N 3.15Å; N72-R74 VanDerWaalsContact C-N 3.28Å; N72-R74 PolarHBondContact O-N 3.47Å; R74-N78 VanDerWaalsContact O-CB 3.28Å; R74-N78 WeakPolarHBondContact O-CB 3.37Å; R74-N78 PolarHBondContact O-N 3.45Å; R74-N78 PolarHBondContact O-ND2 3.31Å; R74-N78 PolarHBondContact O-OD1 2.96Å
75	E	61.8	Low	58.5	Low	120 Å²	120	71.9 Å²	71.9	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-65	-52.4	176.1	-71	-179.5	180	0	0	111.7	Q71 N72 Y73 C77 N78 D79	Q71-E75 PolarHBondContact O-N 3.42Å; N72-E75 PolarHBondContact O-N 3.43Å; Y73-E75 VanDerWaalsContact C-N 3.33Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 2.94Å; E75-N78 CarbonylContact O-C 3.54Å; E75-N78 WeakPolarHBondContact O-CA 3.4Å; E75-N78 WeakPolarHBondContact O-CB 3.45Å; E75-N78 PolarHBondContact O-N 3.37Å; E75-D79 PolarHBondContact O-N 2Å
76	E	61.3	Low	58.3	Low	88 Å²	88	77.9 Å²	77.9	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-57.3	-40.9	177.5	-73.1	-176.5	-178.3	0	0	112.1	N72 D79 L80 F104	N72-E76 PolarHBondContact O-N 2.94Å; E76-D79 PolarHBondContact O-N 3.49Å; E76-L80 WeakPolarHBondContact O-CB 3.41Å; E76-L80 VanDerWaalsContact O-CG 3.3Å; E76-L80 WeakPolarHBondContact O-CG 3.22Å; E76-L80 PolarHBondContact O-N 3.2Å; E76-F104 WeakPolarHBondContact OE2-CD1 3.39Å; E76-F104 WeakPolarHBondContact OE2-CE1 3.06Å
77	C	60.9	Low	58.9	Low	3 Å²	3	82 Å²	82	2%	0.02	41%	0.412	C	S	.	.	H	α-helix	trans	-69.9	-35.9	174.9	-84.7	0	0	0	0	113.2	Y73 E75 C81 C95 W96	Y73-C77 WeakPolarHBondContact O-CB 3.43Å; Y73-C77 PolarHBondContact O-N 3.17Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 2.94Å; C77-C81 VanDerWaalsContact O-CB 3.24Å; C77-C81 WeakPolarHBondContact O-CB 2.78Å; C77-C81 PolarHBondContact O-N 3.33Å; C77-C81 PolarHBondContact O-SG 3.14Å; C77-C95 WeakPolarHBondContact CA-SG 3.32Å; C77-C95 HydrophobicContact CB-CB 3.75Å; C77-C95 WeakPolarHBondContact CB-SG 3.13Å; C77-C95 WeakPolarHBondContact SG-CB 3.39Å; C77-C95 CovalentContact SG-SG 2.06Å; C77-C95 PolarHBondContact SG-SG 2.8Å; C77-W96 PolarHBondContact SG-N 3.43Å; C77-W96 VanDerWaalsContact SG-N 3.41Å
78	N	60.3	Low	58.8	Low	68 Å²	68	84.6 Å²	84.6	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-41	174.2	-75.3	-18.6	0	0	0	110.8	R74 E75 C81 A82	R74-N78 VanDerWaalsContact O-CB 3.28Å; R74-N78 WeakPolarHBondContact O-CB 3.37Å; R74-N78 PolarHBondContact O-N 3.45Å; R74-N78 PolarHBondContact O-ND2 3.31Å; R74-N78 PolarHBondContact O-OD1 2.96Å; E75-N78 CarbonylContact O-C 3.54Å; E75-N78 WeakPolarHBondContact O-CA 3.4Å; E75-N78 WeakPolarHBondContact O-CB 3.45Å; E75-N78 PolarHBondContact O-N 3.37Å; N78-C81 CarbonylContact O-C 3.59Å; N78-C81 PolarHBondContact O-N 3.06Å; N78-A82 WeakPolarHBondContact O-CB 3.3Å; N78-A82 PolarHBondContact O-N 2.99Å
79	D	65.2	Low	58.8	Low	117 Å²	117	86.3 Å²	86.3	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-65.1	-46.1	176.9	-71.4	-16.6	0	0	0	111.3	E75 E76 C81 A82 S83	E75-D79 PolarHBondContact O-N 2Å; E76-D79 PolarHBondContact O-N 3.49Å; D79-C81 VanDerWaalsContact C-N 3.3Å; D79-C81 PolarHBondContact O-N 3.14Å; D79-A82 PolarHBondContact O-N 2.93Å; D79-S83 PolarHBondContact O-N 3.46Å
80	L	60	Low	59	Low	93 Å²	93	90.5 Å²	90.5	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-58	-43.9	174.1	-77.2	168.6	0	0	0	111.2	E76 S83 F104	E76-L80 WeakPolarHBondContact O-CB 3.41Å; E76-L80 VanDerWaalsContact O-CG 3.3Å; E76-L80 WeakPolarHBondContact O-CG 3.22Å; E76-L80 PolarHBondContact O-N 3.2Å; L80-S83 PolarHBondContact O-N 3.03Å; L80-S83 PolarHBondContact O-OG 2.84Å; L80-F104 HydrophobicContact CD1-CZ 4.31Å
81	C	62.6	Low	58.6	Low	3 Å²	3	91.7 Å²	91.7	2%	0.02	46%	0.461	C	S	.	.	H	α-helix	trans	-78.9	-24.2	-179.7	-68.8	0	0	0	0	114.4	C77 N78 D79 S83 Q84 C91 S92	C77-C81 VanDerWaalsContact O-CB 3.24Å; C77-C81 WeakPolarHBondContact O-CB 2.78Å; C77-C81 PolarHBondContact O-N 3.33Å; C77-C81 PolarHBondContact O-SG 3.14Å; N78-C81 CarbonylContact O-C 3.59Å; N78-C81 PolarHBondContact O-N 3.06Å; D79-C81 VanDerWaalsContact C-N 3.3Å; D79-C81 PolarHBondContact O-N 3.14Å; C81-S83 PolarHBondContact O-N 3.33Å; C81-Q84 PolarHBondContact O-N 3.19Å; C81-Q84 VanDerWaalsContact O-N 3.14Å; C81-C91 WeakPolarHBondContact CA-SG 3.45Å; C81-C91 HydrophobicContact CB-CB 3.69Å; C81-C91 WeakPolarHBondContact CB-SG 3.38Å; C81-C91 WeakPolarHBondContact SG-CB 3.29Å; C81-C91 PolarHBondContact SG-O 3.26Å; C81-C91 VanDerWaalsContact SG-O 3.38Å; C81-C91 CovalentContact SG-SG 2.05Å; C81-C91 PolarHBondContact SG-SG 3.4Å; C81-S92 PolarHBondContact SG-N 3.37Å
82	A	62.7	Low	58.6	Low	65 Å²	65	87.4 Å²	87.4	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-28	171.6	0	0	0	0	0	111.1	N78 D79 Q84	N78-A82 WeakPolarHBondContact O-CB 3.3Å; N78-A82 PolarHBondContact O-N 2.99Å; D79-A82 PolarHBondContact O-N 2.93Å; A82-Q84 PolarHBondContact O-N 2.97Å
83	S	65.6	Low	58.5	Low	88 Å²	88	91.6 Å²	91.6	62%	0.615	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.9	174	79.3	0	0	0	0	114.3	D79 L80 C81	D79-S83 PolarHBondContact O-N 3.46Å; L80-S83 PolarHBondContact O-N 3.03Å; L80-S83 PolarHBondContact O-OG 2.84Å; C81-S83 PolarHBondContact O-N 3.33Å
84	Q	49.1	Very low	58.1	Low	112 Å²	112	95 Å²	95	52%	0.523	48%	0.475	S	S	.	.			trans	-105.1	129.1	179.9	-60.4	-68.2	-28	0	0	109.7	C81 A82 E86	C81-Q84 PolarHBondContact O-N 3.19Å; C81-Q84 VanDerWaalsContact O-N 3.14Å; A82-Q84 PolarHBondContact O-N 2.97Å; Q84-E86 PolarHBondContact O-N 3.41Å
85	E	57.7	Low	57.8	Low	207 Å²	207	88.2 Å²	88.2	97%	0.967	45%	0.452	S	S	*	.	S	Bend	trans	-69.9	-18	179.1	-69.5	-174.4	160.5	0	0	113.2
86	E	49.2	Very low	57.2	Low	162 Å²	162	85 Å²	85	76%	0.757	44%	0.435	S	S	*	.	S	Bend	trans	-82	145.7	-179.1	-82.2	-170	160.5	0	0	113.6	Q84 Q88	Q84-E86 PolarHBondContact O-N 3.41Å; E86-Q88 PolarHBondContact O-N 2.74Å
87	N	64.6	Low	56.6	Low	97 Å²	97	88.2 Å²	88.2	52%	0.519	44%	0.443	S	S	.	.			trans	-10	88.7	176.5	-165.5	-22.6	0	0	0	114.6	E89 I90 C91	N87-E89 PolarHBondContact O-N 2.71Å; N87-E89 VanDerWaalsContact O-N 3.08Å; N87-E89 PolarHBondContact OD1-N 3.49Å; N87-I90 HydrophobicContact CB-CB 4.36Å; N87-I90 HydrophobicContact CB-CD1 4.14Å; N87-I90 HydrophobicContact CB-CG1 4.28Å; N87-I90 VanDerWaalsContact ND2-CD1 3.27Å; N87-I90 WeakPolarHBondContact ND2-CD1 3.4Å; N87-I90 PolarHBondContact O-N 3.13Å; N87-C91 PolarHBondContact O-N 3.33Å; N87-C91 VanDerWaalsContact O-N 3.12Å
88	Q	52.1	Low	55.7	Low	125 Å²	125	94.6 Å²	94.6	58%	0.584	47%	0.471	S	S	*	.	H	α-helix	trans	-54.1	-32.7	-173.4	-67.5	178.9	-20.5	0	0	113	E86 S92	E86-Q88 PolarHBondContact O-N 2.74Å; Q88-S92 WeakPolarHBondContact O-CB 2.94Å; Q88-S92 PolarHBondContact O-N 3.46Å; Q88-S92 PolarHBondContact O-OG 3.41Å
89	E	55.6	Low	55.1	Low	114 Å²	114	91.7 Å²	91.7	53%	0.533	46%	0.456	S	S	.	.	H	α-helix	trans	-68.1	-38.8	178.3	-166.3	-174.1	166	0	0	111.9	N87 S92 R93	N87-E89 PolarHBondContact O-N 2.71Å; N87-E89 VanDerWaalsContact O-N 3.08Å; N87-E89 PolarHBondContact OD1-N 3.49Å; E89-S92 PolarHBondContact O-OG 3.37Å; E89-S92 VanDerWaalsContact O-OG 3.06Å; E89-R93 WeakPolarHBondContact O-CB 3.25Å; E89-R93 WeakPolarHBondContact O-CG 3.3Å; E89-R93 PolarHBondContact O-N 2.78Å
90	I	57.3	Low	54.1	Low	93 Å²	93	90.2 Å²	90.2	48%	0.477	44%	0.444	S	S	.	.	H	α-helix	trans	-72.2	-46.2	178.6	-63.5	179	0	0	0	109.8	N87 S92 R93 I94	N87-I90 HydrophobicContact CB-CB 4.36Å; N87-I90 HydrophobicContact CB-CD1 4.14Å; N87-I90 HydrophobicContact CB-CG1 4.28Å; N87-I90 VanDerWaalsContact ND2-CD1 3.27Å; N87-I90 WeakPolarHBondContact ND2-CD1 3.4Å; N87-I90 PolarHBondContact O-N 3.13Å; I90-S92 PolarHBondContact O-N 3.3Å; I90-R93 PolarHBondContact O-N 3.33Å; I90-I94 HydrophobicContact CG2-CD1 3.62Å; I90-I94 HydrophobicContact CG2-CG1 4.29Å; I90-I94 WeakPolarHBondContact O-CG1 3.47Å; I90-I94 PolarHBondContact O-N 2.86Å
91	C	49.8	Very low	53.2	Low	35 Å²	35	94 Å²	94	24%	0.236	45%	0.453	C	S	.	.	H	α-helix	trans	-57.6	-50.8	178.5	177.6	0	0	0	0	111	C81 N87 R93 I94 C95	C81-C91 WeakPolarHBondContact CA-SG 3.45Å; C81-C91 HydrophobicContact CB-CB 3.69Å; C81-C91 WeakPolarHBondContact CB-SG 3.38Å; C81-C91 WeakPolarHBondContact SG-CB 3.29Å; C81-C91 PolarHBondContact SG-O 3.26Å; C81-C91 VanDerWaalsContact SG-O 3.38Å; C81-C91 CovalentContact SG-SG 2.05Å; C81-C91 PolarHBondContact SG-SG 3.4Å; N87-C91 PolarHBondContact O-N 3.33Å; N87-C91 VanDerWaalsContact O-N 3.12Å; C91-R93 VanDerWaalsContact C-N 3.3Å; C91-R93 PolarHBondContact O-N 3.32Å; C91-I94 PolarHBondContact O-N 3.49Å; C91-I94 VanDerWaalsContact O-N 3.1Å; C91-C95 WeakPolarHBondContact O-CB 2.92Å; C91-C95 PolarHBondContact O-N 2.61Å
92	S	55.3	Low	52.2	Low	28 Å²	28	96.6 Å²	96.6	20%	0.196	48%	0.48	C	S	.	.	H	α-helix	trans	-60.5	-40.1	-178.4	54.4	0	0	0	0	111.5	C81 Q88 E89 I90 W96	C81-S92 PolarHBondContact SG-N 3.37Å; Q88-S92 WeakPolarHBondContact O-CB 2.94Å; Q88-S92 PolarHBondContact O-N 3.46Å; Q88-S92 PolarHBondContact O-OG 3.41Å; E89-S92 PolarHBondContact O-OG 3.37Å; E89-S92 VanDerWaalsContact O-OG 3.06Å; I90-S92 PolarHBondContact O-N 3.3Å; S92-W96 WeakPolarHBondContact O-CB 3.19Å; S92-W96 PolarHBondContact O-N 2.8Å
93	R	54.6	Low	50.9	Low	132 Å²	132	98.9 Å²	98.9	50%	0.498	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-39.3	175	-72.2	176.8	99.7	-175.8	3.8	113	E89 I90 C91 R97	E89-R93 WeakPolarHBondContact O-CB 3.25Å; E89-R93 WeakPolarHBondContact O-CG 3.3Å; E89-R93 PolarHBondContact O-N 2.78Å; I90-R93 PolarHBondContact O-N 3.33Å; C91-R93 VanDerWaalsContact C-N 3.3Å; C91-R93 PolarHBondContact O-N 3.32Å; R93-R97 WeakPolarHBondContact O-CB 3.27Å; R93-R97 WeakPolarHBondContact O-CG 3.38Å; R93-R97 PolarHBondContact O-N 2.98Å
94	I	53	Low	49.6	Very low	82 Å²	82	98 Å²	98	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-72.1	-48.9	178.7	-69.4	174.3	0	0	0	110.6	I90 C91 W96 R97 F98	I90-I94 HydrophobicContact CG2-CD1 3.62Å; I90-I94 HydrophobicContact CG2-CG1 4.29Å; I90-I94 WeakPolarHBondContact O-CG1 3.47Å; I90-I94 PolarHBondContact O-N 2.86Å; C91-I94 PolarHBondContact O-N 3.49Å; C91-I94 VanDerWaalsContact O-N 3.1Å; I94-W96 VanDerWaalsContact C-N 3.29Å; I94-W96 PolarHBondContact O-N 2.96Å; I94-R97 CarbonylContact O-C 3.56Å; I94-R97 WeakPolarHBondContact O-CA 3.48Å; I94-R97 WeakPolarHBondContact O-CB 3.02Å; I94-R97 PolarHBondContact O-N 2.79Å; I94-F98 HydrophobicContact CG2-CD2 3.58Å; I94-F98 HydrophobicContact CG2-CE2 3.4Å; I94-F98 VanDerWaalsContact O-CD2 3.26Å; I94-F98 WeakPolarHBondContact O-CD2 3.45Å; I94-F98 PolarHBondContact O-N 2.71Å
95	C	54.3	Low	49.2	Very low	21 Å²	21	96.7 Å²	96.7	14%	0.142	48%	0.476	C	S	.	.	H	α-helix	trans	-55.1	-47.6	176.3	177.9	0	0	0	0	110.8	C77 C91 R97 F98 A99	C77-C95 WeakPolarHBondContact CA-SG 3.32Å; C77-C95 HydrophobicContact CB-CB 3.75Å; C77-C95 WeakPolarHBondContact CB-SG 3.13Å; C77-C95 WeakPolarHBondContact SG-CB 3.39Å; C77-C95 CovalentContact SG-SG 2.06Å; C77-C95 PolarHBondContact SG-SG 2.8Å; C91-C95 WeakPolarHBondContact O-CB 2.92Å; C91-C95 PolarHBondContact O-N 2.61Å; C95-R97 VanDerWaalsContact C-N 3.3Å; C95-R97 PolarHBondContact O-N 3.3Å; C95-F98 WeakPolarHBondContact O-CA 3.14Å; C95-F98 PolarHBondContact O-N 2.7Å; C95-A99 PolarHBondContact O-N 3.48Å
96	W	50.9	Low	48.4	Very low	52 Å²	52	88 Å²	88	20%	0.197	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-36.5	177	-176.9	77.8	0	0	0	112.3	I44 F47 C77 S92 I94 F98 A99 K100	I44-W96 HydrophobicContact CB-CH2 4.14Å; I44-W96 HydrophobicContact CB-CZ2 4.36Å; I44-W96 HydrophobicContact CG1-CH2 3.75Å; I44-W96 HydrophobicContact CG1-CZ2 4.24Å; I44-W96 HydrophobicContact CG1-CZ3 4.46Å; I44-W96 HydrophobicContact CG2-CH2 4.24Å; I44-W96 HydrophobicContact CG2-CZ2 3.95Å; F47-W96 HydrophobicContact CB-CH2 4.22Å; F47-W96 HydrophobicContact CD1-CD2 4.29Å; F47-W96 AromaticContact CD1-CE2 3.61Å; F47-W96 HydrophobicContact CD1-CE3 4.39Å; F47-W96 AromaticContact CD1-CH2 3.14Å; F47-W96 HydrophobicContact CD1-CH2 3.14Å; F47-W96 AromaticContact CD1-CZ2 3.05Å; F47-W96 HydrophobicContact CD1-CZ2 3.05Å; F47-W96 AromaticContact CD1-CZ3 3.86Å; F47-W96 HydrophobicContact CD1-CZ3 3.86Å; F47-W96 AromaticContact CE1-CD2 3.8Å; F47-W96 HydrophobicContact CE1-CD2 3.8Å; F47-W96 AromaticContact CE1-CE2 3.37Å; F47-W96 HydrophobicContact CE1-CE3 4.13Å; F47-W96 AromaticContact CE1-CH2 3.67Å; F47-W96 HydrophobicContact CE1-CH2 3.67Å; F47-W96 AromaticContact CE1-CZ2 3.37Å; F47-W96 HydrophobicContact CE1-CZ2 3.37Å; F47-W96 HydrophobicContact CE1-CZ3 4.05Å; F47-W96 AromaticContact CE1-NE1 3.78Å; F47-W96 AromaticContact CG-CH2 3.91Å; F47-W96 HydrophobicContact CG-CH2 3.91Å; F47-W96 HydrophobicContact CG-CZ2 4.18Å; C77-W96 PolarHBondContact SG-N 3.43Å; C77-W96 VanDerWaalsContact SG-N 3.41Å; S92-W96 WeakPolarHBondContact O-CB 3.19Å; S92-W96 PolarHBondContact O-N 2.8Å; I94-W96 VanDerWaalsContact C-N 3.29Å; I94-W96 PolarHBondContact O-N 2.96Å; W96-F98 VanDerWaalsContact C-N 3.33Å; W96-F98 PolarHBondContact O-N 3.41Å; W96-A99 PolarHBondContact O-N 2.92Å; W96-K100 PolarHBondContact O-N 3.44Å
97	R	47.5	Very low	47.9	Very low	156 Å²	156	88.4 Å²	88.4	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-68.8	-21.8	169.3	-84.6	-177.2	171.4	-165.4	-1	114.1	R93 I94 C95 K100 Y101	R93-R97 WeakPolarHBondContact O-CB 3.27Å; R93-R97 WeakPolarHBondContact O-CG 3.38Å; R93-R97 PolarHBondContact O-N 2.98Å; I94-R97 CarbonylContact O-C 3.56Å; I94-R97 WeakPolarHBondContact O-CA 3.48Å; I94-R97 WeakPolarHBondContact O-CB 3.02Å; I94-R97 PolarHBondContact O-N 2.79Å; C95-R97 VanDerWaalsContact C-N 3.3Å; C95-R97 PolarHBondContact O-N 3.3Å; R97-K100 WeakPolarHBondContact O-CB 3.08Å; R97-Y101 WeakPolarHBondContact O-CD2 3.27Å
98	F	42.9	Very low	46.5	Very low	136 Å²	136	88 Å²	88	60%	0.596	44%	0.435	S	S	*	.	H	α-helix	trans	-82.9	-36.2	172.9	-83.6	-72	0	0	0	111.3	I94 C95 W96 K100 Y101	I94-F98 HydrophobicContact CG2-CD2 3.58Å; I94-F98 HydrophobicContact CG2-CE2 3.4Å; I94-F98 VanDerWaalsContact O-CD2 3.26Å; I94-F98 WeakPolarHBondContact O-CD2 3.45Å; I94-F98 PolarHBondContact O-N 2.71Å; C95-F98 WeakPolarHBondContact O-CA 3.14Å; C95-F98 PolarHBondContact O-N 2.7Å; W96-F98 VanDerWaalsContact C-N 3.33Å; W96-F98 PolarHBondContact O-N 3.41Å; F98-K100 PolarHBondContact O-N 3.4Å; F98-K100 VanDerWaalsContact O-N 3.14Å; F98-Y101 PolarHBondContact O-N 3.35Å
99	A	46.6	Very low	45.6	Very low	7 Å²	7	88.4 Å²	88.4	6%	0.058	44%	0.442	C	S	.	.	H	α-helix	trans	-56.8	-28.2	169.5	0	0	0	0	0	112.8	Q51 C95 W96 Y101 F104	Q51-A99 PolarHBondContact NE2-O 3.03Å; C95-A99 PolarHBondContact O-N 3.48Å; W96-A99 PolarHBondContact O-N 2.92Å; A99-Y101 PolarHBondContact O-N 3.46Å; A99-F104 HydrophobicContact CB-CD2 3.57Å; A99-F104 HydrophobicContact CB-CE2 4.03Å; A99-F104 HydrophobicContact CB-CG 4.34Å
100	K	45	Very low	44.4	Very low	86 Å²	86	88.9 Å²	88.9	37%	0.374	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.8	170.1	177.2	155.5	-170.1	-162.4	0	115.3	F47 W96 R97 F98	F47-K100 HydrophobicContact CD2-CB 4.23Å; F47-K100 HydrophobicContact CD2-CD 3.49Å; F47-K100 VanDerWaalsContact CD2-CD 3.49Å; F47-K100 HydrophobicContact CD2-CG 3.79Å; F47-K100 HydrophobicContact CE1-CB 4.49Å; F47-K100 VanDerWaalsContact CE2-CA 3.44Å; F47-K100 HydrophobicContact CE2-CB 3.14Å; F47-K100 HydrophobicContact CE2-CD 3.25Å; F47-K100 HydrophobicContact CE2-CG 3.06Å; F47-K100 HydrophobicContact CZ-CB 3.23Å; F47-K100 HydrophobicContact CZ-CD 3.96Å; F47-K100 HydrophobicContact CZ-CG 3.76Å; W96-K100 PolarHBondContact O-N 3.44Å; R97-K100 WeakPolarHBondContact O-CB 3.08Å; F98-K100 PolarHBondContact O-N 3.4Å; F98-K100 VanDerWaalsContact O-N 3.14Å
101	Y	41.8	Very low	43.1	Very low	174 Å²	174	91.3 Å²	91.3	68%	0.682	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-5.7	-157.3	-74.3	-65.4	0	0	0	114.8	R97 F98 A99	R97-Y101 WeakPolarHBondContact O-CD2 3.27Å; F98-Y101 PolarHBondContact O-N 3.35Å; A99-Y101 PolarHBondContact O-N 3.46Å
102	G	39.8	Very low	42.8	Very low	57 Å²	57	94.2 Å²	94.2	59%	0.588	51%	0.513	S	S	*	.	S	Bend	trans	156.8	29.1	165.4	0	0	0	0	0	122
103	T	37.3	Very low	42.1	Very low	113 Å²	113	97.6 Å²	97.6	69%	0.693	53%	0.53	S	S	*	.			trans	-137	-15.7	-178.7	47.2	0	0	0	0	118.1
104	F	37.2	Very low	41.4	Very low	68 Å²	68	95.7 Å²	95.7	30%	0.298	53%	0.532	S	S	.	.			trans	-100.8	121.8	177.5	-63.2	-98	0	0	0	110.7	Y73 E76 L80 A99	Y73-F104 HydrophobicContact CD1-CB 3.64Å; Y73-F104 HydrophobicContact CD1-CD1 4.03Å; Y73-F104 AromaticContact CD1-CG 3.96Å; Y73-F104 HydrophobicContact CD1-CG 3.96Å; Y73-F104 HydrophobicContact CE1-CB 3.09Å; Y73-F104 AromaticContact CE1-CD1 4Å; Y73-F104 HydrophobicContact CE1-CD1 4Å; Y73-F104 AromaticContact CE1-CG 3.85Å; Y73-F104 HydrophobicContact CE1-CG 3.85Å; Y73-F104 HydrophobicContact CE2-CB 4.27Å; Y73-F104 HydrophobicContact CG-CB 4.5Å; Y73-F104 WeakPolarHBondContact OH-CB 3.46Å; Y73-F104 PolarHBondContact OH-O 3.31Å; E76-F104 WeakPolarHBondContact OE2-CD1 3.39Å; E76-F104 WeakPolarHBondContact OE2-CE1 3.06Å; L80-F104 HydrophobicContact CD1-CZ 4.31Å; A99-F104 HydrophobicContact CB-CD2 3.57Å; A99-F104 HydrophobicContact CB-CE2 4.03Å; A99-F104 HydrophobicContact CB-CG 4.34Å
105	S	41	Very low	40.7	Very low	86 Å²	86	96.5 Å²	96.5	60%	0.601	54%	0.538	S	S	*	.			trans	-93.3	126.6	170.8	-176.9	0	0	0	0	107.9	Y73 K107	Y73-S105 WeakPolarHBondContact OH-CA 3.26Å; Y73-S105 PolarHBondContact OH-N 3.06Å; Y73-S105 PolarHBondContact OH-O 3.31Å; S105-K107 PolarHBondContact O-N 3.1Å
106	C	40.4	Very low	39.9	Very low	25 Å²	25	101.3 Å²	101.3	17%	0.169	56%	0.563	C	S	.	*			trans	-66.6	115.2	177.9	-74.8	0	0	0	0	106.4	Y65 C69 Y73 N108	Y65-C106 HydrophobicContact CE1-CB 4.2Å; Y65-C106 HydrophobicContact CE2-CB 4.35Å; Y65-C106 WeakPolarHBondContact OH-CB 3.34Å; Y65-C106 PolarHBondContact OH-O 3.32Å; Y65-C106 VanDerWaalsContact OH-O 3.14Å; C69-C106 HydrophobicContact CB-CB 4.23Å; C69-C106 WeakPolarHBondContact CB-SG 3.48Å; C69-C106 WeakPolarHBondContact SG-CB 3.35Å; C69-C106 CovalentContact SG-SG 2.01Å; C69-C106 PolarHBondContact SG-SG 3.23Å; Y73-C106 VanDerWaalsContact OH-CA 3.3Å; Y73-C106 WeakPolarHBondContact OH-CA 3.5Å; Y73-C106 PolarHBondContact OH-N 2.87Å; C106-N108 VanDerWaalsContact C-N 3.32Å; C106-N108 PolarHBondContact O-N 3Å
107	K	38.5	Very low	39.2	Very low	170 Å²	170	104.5 Å²	104.5	74%	0.739	59%	0.587	S	S	*	*			trans	-64.5	103.9	165.8	-81	-177	177.5	174.8	0	107	S105 N109	S105-K107 PolarHBondContact O-N 3.1Å; K107-N109 VanDerWaalsContact C-N 3.31Å; K107-N109 PolarHBondContact O-N 3Å
108	N	36	Very low	38.6	Very low	87 Å²	87	100.9 Å²	100.9	47%	0.465	59%	0.587	S	S	.	*			trans	-56.5	101.7	153.9	-103.8	-31.6	0	0	0	106.4	Y65 C106 V110	Y65-N108 WeakPolarHBondContact CD2-OD1 3.44Å; Y65-N108 HydrophobicContact CE2-CB 4.4Å; Y65-N108 WeakPolarHBondContact CE2-OD1 3.31Å; Y65-N108 VanDerWaalsContact CZ-OD1 3.27Å; Y65-N108 PolarHBondContact OH-OD1 3.34Å; C106-N108 VanDerWaalsContact C-N 3.32Å; C106-N108 PolarHBondContact O-N 3Å; N108-V110 HydrophobicContact CB-CG2 3.79Å; N108-V110 PolarHBondContact O-N 3.06Å
109	N	32.4	Very low	38.2	Very low	135 Å²	135	98.2 Å²	98.2	72%	0.722	59%	0.587	S	S	*	*			trans	-71.9	65.7	155.2	-80.2	-7.5	0	0	0	106.8	K107 G111	K107-N109 VanDerWaalsContact C-N 3.31Å; K107-N109 PolarHBondContact O-N 3Å; N109-G111 PolarHBondContact O-N 3.05Å
110	V	30.1	Very low	37.6	Very low	124 Å²	124	105.8 Å²	105.8	75%	0.752	63%	0.631	S	S	*	*			trans	-84.1	84.4	161.4	-179.1	0	0	0	0	104.5	N108	N108-V110 HydrophobicContact CB-CG2 3.79Å; N108-V110 PolarHBondContact O-N 3.06Å
111	G	31.1	Very low	36.9	Very low	144 Å²	144	107.5 Å²	107.5	100%	1.485	65%	0.654	S	S	*	*			trans	-112.4	0	159.5	0	0	0	0	0	107.7	N109	N109-G111 PolarHBondContact O-N 3.05Å

Retrieved 111 of 111 residues in 92.6 ms (Link to these results)

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