A0A3Q0KJV0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4EJX1), UniProt , Accession A0A3Q0KJV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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	45.7	Very low	59.2	Low	141 Å²	141	88.2 Å²	88.2	70%	0.695	46%	0.464	S	S	*	.				0	142.8	0	-84.7	-170.7	-179.1	0	0	107.8	I6 L28 T29	M1-I6 HydrophobicContact SD-CD1 3.68Å; M1-I6 HydrophobicContact SD-CG1 4.43Å; M1-L28 HydrophobicContact CE-CB 4.5Å; M1-T29 HydrophobicContact CE-CG2 4.22Å
2	D	51.8	Low	59.6	Low	98 Å²	98	88.2 Å²	88.2	52%	0.524	46%	0.463	S	S	.	.			trans	-68	124.4	171.4	-176.4	-7.2	0	0	0	109	S4 F5	D2-S4 PolarHBondContact O-N 2.95Å; D2-S4 VanDerWaalsContact O-N 3.16Å; D2-S4 VanDerWaalsContact OD1-CB 3.28Å; D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.31Å; D2-S4 PolarHBondContact OD1-OG 2.97Å; D2-S4 PolarHBondContact OD2-OG 3.01Å; D2-F5 HydrophobicContact CB-CB 4.44Å; D2-F5 WeakPolarHBondContact O-CB 3.4Å; D2-F5 PolarHBondContact O-N 2.9Å
3	P	56.1	Low	59.3	Low	92 Å²	92	82.2 Å²	82.2	60%	0.597	44%	0.435	S	S	*	.	H	α-helix	trans	-51.8	-33.9	174.8	-26.5	35.1	0	0	0	113	F5 I6 I7	P3-F5 PolarHBondContact O-N 3.41Å; P3-I6 PolarHBondContact O-N 3.29Å; P3-I6 VanDerWaalsContact O-N 3.17Å; P3-I7 WeakPolarHBondContact O-CG1 3.36Å; P3-I7 PolarHBondContact O-N 3.04Å
4	S	58.2	Low	59	Low	62 Å²	62	87.5 Å²	87.5	43%	0.434	46%	0.456	S	S	.	.	H	α-helix	trans	-58.9	-34.1	178.2	-36.8	0	0	0	0	112.5	D2 K8	D2-S4 PolarHBondContact O-N 2.95Å; D2-S4 VanDerWaalsContact O-N 3.16Å; D2-S4 VanDerWaalsContact OD1-CB 3.28Å; D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.31Å; D2-S4 PolarHBondContact OD1-OG 2.97Å; D2-S4 PolarHBondContact OD2-OG 3.01Å; S4-K8 WeakPolarHBondContact O-CG 3.33Å; S4-K8 PolarHBondContact O-N 3.41Å
5	F	59.4	Low	59.1	Low	81 Å²	81	92.6 Å²	92.6	36%	0.355	47%	0.473	S	S	.	.	H	α-helix	trans	-71.8	-40.7	178.8	179.6	-104.1	0	0	0	112	D2 P3 K8 L9 L28	D2-F5 HydrophobicContact CB-CB 4.44Å; D2-F5 WeakPolarHBondContact O-CB 3.4Å; D2-F5 PolarHBondContact O-N 2.9Å; P3-F5 PolarHBondContact O-N 3.41Å; F5-K8 PolarHBondContact O-N 2.99Å; F5-L9 HydrophobicContact CD1-CD1 3.85Å; F5-L9 HydrophobicContact CD1-CG 4.47Å; F5-L9 HydrophobicContact CE1-CD1 3.22Å; F5-L9 HydrophobicContact CE1-CG 4.01Å; F5-L9 HydrophobicContact CE2-CD1 4.43Å; F5-L9 HydrophobicContact CE2-CG 4.39Å; F5-L9 HydrophobicContact CZ-CD1 3.56Å; F5-L9 HydrophobicContact CZ-CD2 4.34Å; F5-L9 HydrophobicContact CZ-CG 3.94Å; F5-L9 PolarHBondContact O-N 2.94Å; F5-L28 HydrophobicContact CE1-CD1 3.82Å; F5-L28 HydrophobicContact CZ-CD1 3.62Å
6	I	63.3	Low	59.1	Low	70 Å²	70	96.1 Å²	96.1	36%	0.359	48%	0.48	S	S	.	.	H	α-helix	trans	-65.6	-42.3	176.8	-62.3	-59.8	0	0	0	110.5	M1 P3 L9 N10	M1-I6 HydrophobicContact SD-CD1 3.68Å; M1-I6 HydrophobicContact SD-CG1 4.43Å; P3-I6 PolarHBondContact O-N 3.29Å; P3-I6 VanDerWaalsContact O-N 3.17Å; I6-L9 PolarHBondContact O-N 3.29Å; I6-N10 WeakPolarHBondContact O-CB 3.18Å; I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 3.07Å
7	I	64.1	Low	58.9	Low	97 Å²	97	99.7 Å²	99.7	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-60.2	-47.9	175.3	-65.2	166.7	0	0	0	110	P3 L9 N10 N11	P3-I7 WeakPolarHBondContact O-CG1 3.36Å; P3-I7 PolarHBondContact O-N 3.04Å; I7-L9 PolarHBondContact O-N 3.15Å; I7-N10 PolarHBondContact O-N 3.14Å; I7-N11 PolarHBondContact O-N 3.29Å; I7-N11 PolarHBondContact O-OD1 3.11Å; I7-N11 VanDerWaalsContact O-OD1 3.11Å
8	K	68.1	Low	58.2	Low	109 Å²	109	100.2 Å²	100.2	47%	0.474	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-42.1	177.2	-79.5	-175.2	178.6	-172.3	0	113.1	S4 F5 N11 I12	S4-K8 WeakPolarHBondContact O-CG 3.33Å; S4-K8 PolarHBondContact O-N 3.41Å; F5-K8 PolarHBondContact O-N 2.99Å; K8-N11 PolarHBondContact O-N 2.82Å; K8-I12 WeakPolarHBondContact O-CD1 3.43Å; K8-I12 VanDerWaalsContact O-CG1 3.25Å; K8-I12 WeakPolarHBondContact O-CG1 3.41Å; K8-I12 PolarHBondContact O-N 3.18Å
9	L	61.4	Low	58.1	Low	45 Å²	45	102.9 Å²	102.9	24%	0.236	51%	0.508	C	S	.	.	H	α-helix	trans	-61.6	-47.3	175.7	-82.1	175.6	0	0	0	111	F5 I6 I7 N11 I12 A13 F20	F5-L9 HydrophobicContact CD1-CD1 3.85Å; F5-L9 HydrophobicContact CD1-CG 4.47Å; F5-L9 HydrophobicContact CE1-CD1 3.22Å; F5-L9 HydrophobicContact CE1-CG 4.01Å; F5-L9 HydrophobicContact CE2-CD1 4.43Å; F5-L9 HydrophobicContact CE2-CG 4.39Å; F5-L9 HydrophobicContact CZ-CD1 3.56Å; F5-L9 HydrophobicContact CZ-CD2 4.34Å; F5-L9 HydrophobicContact CZ-CG 3.94Å; F5-L9 PolarHBondContact O-N 2.94Å; I6-L9 PolarHBondContact O-N 3.29Å; I7-L9 PolarHBondContact O-N 3.15Å; L9-N11 VanDerWaalsContact C-N 3.33Å; L9-N11 PolarHBondContact O-N 2.78Å; L9-I12 PolarHBondContact O-N 3.13Å; L9-A13 WeakPolarHBondContact O-CB 3.24Å; L9-A13 PolarHBondContact O-N 2.84Å; L9-F20 HydrophobicContact CB-CE2 4.04Å; L9-F20 HydrophobicContact CB-CZ 4.2Å; L9-F20 HydrophobicContact CD2-CE1 4.38Å; L9-F20 HydrophobicContact CD2-CE2 4.48Å; L9-F20 HydrophobicContact CD2-CZ 3.79Å; L9-F20 WeakPolarHBondContact O-CE2 3.4Å
10	N	60.4	Low	57.6	Low	87 Å²	87	101.4 Å²	101.4	47%	0.465	50%	0.498	S	S	.	.	H	α-helix	trans	-60.7	-42.5	178.1	-72	-11.8	0	0	0	111.8	I6 I7 I12 A13 E14	I6-N10 WeakPolarHBondContact O-CB 3.18Å; I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 3.07Å; I7-N10 PolarHBondContact O-N 3.14Å; N10-I12 VanDerWaalsContact C-N 3.31Å; N10-I12 PolarHBondContact O-N 3.21Å; N10-A13 WeakPolarHBondContact O-CB 3.46Å; N10-A13 PolarHBondContact O-N 3.25Å; N10-A13 VanDerWaalsContact O-N 3.17Å; N10-E14 WeakPolarHBondContact O-CB 3.49Å; N10-E14 PolarHBondContact O-N 3.49Å
11	N	62.6	Low	57	Low	88 Å²	88	104.1 Å²	104.1	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-38.5	176.3	-65.7	2.1	0	0	0	111.9	I7 K8 L9 K15	I7-N11 PolarHBondContact O-N 3.29Å; I7-N11 PolarHBondContact O-OD1 3.11Å; I7-N11 VanDerWaalsContact O-OD1 3.11Å; K8-N11 PolarHBondContact O-N 2.82Å; L9-N11 VanDerWaalsContact C-N 3.33Å; L9-N11 PolarHBondContact O-N 2.78Å; N11-K15 VanDerWaalsContact O-CB 3.24Å; N11-K15 WeakPolarHBondContact O-CB 3.25Å; N11-K15 PolarHBondContact O-N 3.5Å
12	I	64.6	Low	57	Low	88 Å²	88	103.9 Å²	103.9	45%	0.451	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-45.9	174.1	-68.6	165.2	0	0	0	109.9	K8 L9 N10 E14 K15 Y16	K8-I12 WeakPolarHBondContact O-CD1 3.43Å; K8-I12 VanDerWaalsContact O-CG1 3.25Å; K8-I12 WeakPolarHBondContact O-CG1 3.41Å; K8-I12 PolarHBondContact O-N 3.18Å; L9-I12 PolarHBondContact O-N 3.13Å; N10-I12 VanDerWaalsContact C-N 3.31Å; N10-I12 PolarHBondContact O-N 3.21Å; I12-E14 VanDerWaalsContact C-N 3.34Å; I12-E14 PolarHBondContact O-N 3.3Å; I12-K15 PolarHBondContact O-N 3.49Å; I12-Y16 HydrophobicContact CG2-CD2 3.8Å; I12-Y16 HydrophobicContact CG2-CE2 4.03Å; I12-Y16 WeakPolarHBondContact O-CD2 3.41Å; I12-Y16 PolarHBondContact O-N 3.25Å
13	A	55.2	Low	56.6	Low	11 Å²	11	102.8 Å²	102.8	9%	0.091	50%	0.504	C	S	.	.	H	α-helix	trans	-56.6	-49.8	176.9	0	0	0	0	0	111.3	L9 N10 K15 Y16 N17 Y18 F20	L9-A13 WeakPolarHBondContact O-CB 3.24Å; L9-A13 PolarHBondContact O-N 2.84Å; N10-A13 WeakPolarHBondContact O-CB 3.46Å; N10-A13 PolarHBondContact O-N 3.25Å; N10-A13 VanDerWaalsContact O-N 3.17Å; A13-K15 PolarHBondContact O-N 3.17Å; A13-Y16 CarbonylContact O-C 3.46Å; A13-Y16 PolarHBondContact O-N 3.14Å; A13-N17 CarbonylContact O-C 3.56Å; A13-N17 WeakPolarHBondContact O-CA 3.48Å; A13-N17 PolarHBondContact O-N 3.04Å; A13-Y18 WeakPolarHBondContact CB-O 3.33Å; A13-Y18 PolarHBondContact O-N 2.95Å; A13-F20 HydrophobicContact CB-CD2 3.68Å; A13-F20 HydrophobicContact CB-CE2 3.3Å; A13-F20 HydrophobicContact CB-CZ 4.16Å
14	E	55.6	Low	55.8	Low	156 Å²	156	100.9 Å²	100.9	73%	0.729	49%	0.489	S	S	*	.	H	α-helix	trans	-60.5	-46.5	177.8	-170.5	169.7	-162.9	0	0	111.3	N10 I12 Y16 N17	N10-E14 WeakPolarHBondContact O-CB 3.49Å; N10-E14 PolarHBondContact O-N 3.49Å; I12-E14 VanDerWaalsContact C-N 3.34Å; I12-E14 PolarHBondContact O-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.13Å; E14-N17 PolarHBondContact O-N 3.06Å
15	K	59.7	Low	54.9	Low	164 Å²	164	102.8 Å²	102.8	71%	0.713	49%	0.493	S	S	*	.	H	α-helix	trans	-56.6	-34.3	176.5	-178.2	172.5	-177.5	171.9	0	113.5	N11 I12 A13	N11-K15 VanDerWaalsContact O-CB 3.24Å; N11-K15 WeakPolarHBondContact O-CB 3.25Å; N11-K15 PolarHBondContact O-N 3.5Å; I12-K15 PolarHBondContact O-N 3.49Å; A13-K15 PolarHBondContact O-N 3.17Å
16	Y	60	Low	54.1	Low	149 Å²	149	102.7 Å²	102.7	58%	0.584	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	10.1	-179.5	-67.5	-72.6	0	0	0	113.5	I12 A13 E14 Y18	I12-Y16 HydrophobicContact CG2-CD2 3.8Å; I12-Y16 HydrophobicContact CG2-CE2 4.03Å; I12-Y16 WeakPolarHBondContact O-CD2 3.41Å; I12-Y16 PolarHBondContact O-N 3.25Å; A13-Y16 CarbonylContact O-C 3.46Å; A13-Y16 PolarHBondContact O-N 3.14Å; E14-Y16 PolarHBondContact O-N 3.13Å; Y16-Y18 PolarHBondContact O-N 2.85Å; Y16-Y18 VanDerWaalsContact O-N 3.13Å
17	N	54.2	Low	52.9	Low	157 Å²	157	103.7 Å²	103.7	84%	0.84	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	42	-171.2	-163.1	22.5	0	0	0	112.6	A13 E14	A13-N17 CarbonylContact O-C 3.56Å; A13-N17 WeakPolarHBondContact O-CA 3.48Å; A13-N17 PolarHBondContact O-N 3.04Å; E14-N17 PolarHBondContact O-N 3.06Å
18	Y	46.9	Very low	51.6	Low	109 Å²	109	102.1 Å²	102.1	43%	0.427	50%	0.497	S	S	.	.			trans	-104.2	110.8	-174.7	-173.6	-89.3	0	0	0	109.8	A13 Y16 F20 D24	A13-Y18 WeakPolarHBondContact CB-O 3.33Å; A13-Y18 PolarHBondContact O-N 2.95Å; Y16-Y18 PolarHBondContact O-N 2.85Å; Y16-Y18 VanDerWaalsContact O-N 3.13Å; Y18-F20 HydrophobicContact CD1-CD1 4.04Å; Y18-F20 HydrophobicContact CD1-CE1 4.14Å; Y18-F20 HydrophobicContact CD1-CG 4.32Å; Y18-F20 AromaticContact CE1-CD1 3.73Å; Y18-F20 HydrophobicContact CE1-CD1 3.73Å; Y18-F20 HydrophobicContact CE1-CE1 4.06Å; Y18-F20 HydrophobicContact CE1-CG 4.27Å; Y18-F20 PolarHBondContact O-N 3.19Å; Y18-D24 PolarHBondContact OH-OD2 3.38Å
19	E	56.1	Low	50	Low	152 Å²	152	100.9 Å²	100.9	71%	0.71	50%	0.499	S	S	*	.			trans	-81.9	111.7	172.1	-167.8	-177	-170.1	0	0	109.7	R21	E19-R21 PolarHBondContact O-N 3.17Å
20	F	48.2	Very low	48.9	Very low	72 Å²	72	104.4 Å²	104.4	32%	0.316	51%	0.514	S	S	.	.			trans	-62.3	111	171.4	-69.7	-73.9	0	0	0	109.5	L9 A13 Y18 D24	L9-F20 HydrophobicContact CB-CE2 4.04Å; L9-F20 HydrophobicContact CB-CZ 4.2Å; L9-F20 HydrophobicContact CD2-CE1 4.38Å; L9-F20 HydrophobicContact CD2-CE2 4.48Å; L9-F20 HydrophobicContact CD2-CZ 3.79Å; L9-F20 WeakPolarHBondContact O-CE2 3.4Å; A13-F20 HydrophobicContact CB-CD2 3.68Å; A13-F20 HydrophobicContact CB-CE2 3.3Å; A13-F20 HydrophobicContact CB-CZ 4.16Å; Y18-F20 HydrophobicContact CD1-CD1 4.04Å; Y18-F20 HydrophobicContact CD1-CE1 4.14Å; Y18-F20 HydrophobicContact CD1-CG 4.32Å; Y18-F20 AromaticContact CE1-CD1 3.73Å; Y18-F20 HydrophobicContact CE1-CD1 3.73Å; Y18-F20 HydrophobicContact CE1-CE1 4.06Å; Y18-F20 HydrophobicContact CE1-CG 4.27Å; Y18-F20 PolarHBondContact O-N 3.19Å; F20-D24 HydrophobicContact CD1-CB 4.49Å
21	R	46.1	Very low	47.7	Very low	159 Å²	159	105 Å²	105	60%	0.6	51%	0.512	S	S	*	.			trans	-77.2	154.5	168.7	-58.4	-165	-177.6	-145.8	0.1	108.9	E19 C23 D24 I25	E19-R21 PolarHBondContact O-N 3.17Å; R21-C23 PolarHBondContact O-N 3.04Å; R21-D24 PolarHBondContact N-OD2 3.28Å; R21-D24 VanDerWaalsContact N-OD2 3.17Å; R21-D24 WeakPolarHBondContact O-CA 3.4Å; R21-D24 WeakPolarHBondContact O-CB 3Å; R21-D24 PolarHBondContact O-N 3.37Å; R21-I25 PolarHBondContact O-N 3.06Å
22	D	45.7	Very low	46.1	Very low	135 Å²	135	104.5 Å²	104.5	72%	0.722	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-20.2	173.9	-67	-32.2	0	0	0	113.5
23	C	41.6	Very low	44.6	Very low	75 Å²	75	103.7 Å²	103.7	51%	0.507	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-20.8	176.4	-42.4	0	0	0	0	114	R21	R21-C23 PolarHBondContact O-N 3.04Å
24	D	40.9	Very low	43.6	Very low	53 Å²	53	109.5 Å²	109.5	28%	0.283	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-18	-176.9	-57.1	-24.1	0	0	0	111.8	Y18 F20 R21 V26	Y18-D24 PolarHBondContact OH-OD2 3.38Å; F20-D24 HydrophobicContact CD1-CB 4.49Å; R21-D24 PolarHBondContact N-OD2 3.28Å; R21-D24 VanDerWaalsContact N-OD2 3.17Å; R21-D24 WeakPolarHBondContact O-CA 3.4Å; R21-D24 WeakPolarHBondContact O-CB 3Å; R21-D24 PolarHBondContact O-N 3.37Å; D24-V26 PolarHBondContact O-N 3.05Å
25	I	39.8	Very low	42.4	Very low	101 Å²	101	109 Å²	109	52%	0.518	55%	0.545	S	S	.	.			trans	-65.8	74	155.1	-48.1	174.8	0	0	0	106.2	R21 D27	R21-I25 PolarHBondContact O-N 3.06Å; I25-D27 PolarHBondContact O-N 3.44Å
26	V	42.2	Very low	41.3	Very low	79 Å²	79	108 Å²	108	48%	0.479	55%	0.553	S	S	.	*			trans	-43.3	127.9	149	177.3	0	0	0	0	104.3	D24 L28 F31	D24-V26 PolarHBondContact O-N 3.05Å; V26-L28 WeakPolarHBondContact O-CG 3.13Å; V26-L28 PolarHBondContact O-N 2.88Å; V26-F31 HydrophobicContact CG1-CD2 4.38Å; V26-F31 HydrophobicContact CG1-CE2 3.73Å
27	D	37.4	Very low	40.1	Very low	92 Å²	92	102.5 Å²	102.5	49%	0.492	54%	0.542	S	S	.	.			trans	-62	86.5	179.5	-168.1	-0.4	0	0	0	109.1	I25 T29 E30	I25-D27 PolarHBondContact O-N 3.44Å; D27-T29 VanDerWaalsContact CG-OG1 3.28Å; D27-T29 PolarHBondContact O-N 2.81Å; D27-T29 WeakPolarHBondContact OD1-CB 3.31Å; D27-T29 PolarHBondContact OD1-N 3.18Å; D27-T29 PolarHBondContact OD1-OG1 3.01Å; D27-T29 PolarHBondContact OD2-OG1 3.39Å; D27-E30 PolarHBondContact O-N 2.81Å; D27-E30 VanDerWaalsContact O-N 3.08Å
28	L	36.8	Very low	39.3	Very low	64 Å²	64	99.8 Å²	99.8	34%	0.335	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.7	177.8	-67.4	179.9	0	0	0	110.1	M1 F5 V26 E30 F31 S32	M1-L28 HydrophobicContact CE-CB 4.5Å; F5-L28 HydrophobicContact CE1-CD1 3.82Å; F5-L28 HydrophobicContact CZ-CD1 3.62Å; V26-L28 WeakPolarHBondContact O-CG 3.13Å; V26-L28 PolarHBondContact O-N 2.88Å; L28-E30 PolarHBondContact O-N 3.42Å; L28-F31 HydrophobicContact CD2-CB 4.25Å; L28-F31 HydrophobicContact CD2-CD2 3.71Å; L28-F31 HydrophobicContact CD2-CE2 4.28Å; L28-F31 HydrophobicContact CD2-CG 4.13Å; L28-F31 CarbonylContact O-C 3.6Å; L28-F31 VanDerWaalsContact O-CA 3.3Å; L28-F31 WeakPolarHBondContact O-CA 3.42Å; L28-F31 WeakPolarHBondContact O-CB 3.19Å; L28-F31 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-N 2.92Å
29	T	35.4	Very low	38.7	Very low	82 Å²	82	101.3 Å²	101.3	50%	0.503	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.9	168.7	72.1	0	0	0	0	112	M1 D27 F31 S32	M1-T29 HydrophobicContact CE-CG2 4.22Å; D27-T29 VanDerWaalsContact CG-OG1 3.28Å; D27-T29 PolarHBondContact O-N 2.81Å; D27-T29 WeakPolarHBondContact OD1-CB 3.31Å; D27-T29 PolarHBondContact OD1-N 3.18Å; D27-T29 PolarHBondContact OD1-OG1 3.01Å; D27-T29 PolarHBondContact OD2-OG1 3.39Å; T29-F31 VanDerWaalsContact C-N 3.33Å; T29-S32 VanDerWaalsContact O-CB 3.23Å; T29-S32 WeakPolarHBondContact O-CB 3.38Å; T29-S32 PolarHBondContact O-N 3.41Å; T29-S32 VanDerWaalsContact O-N 3.15Å; T29-S32 PolarHBondContact O-OG 3.17Å
30	E	38.2	Very low	38	Very low	119 Å²	119	99.3 Å²	99.3	56%	0.556	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-23	169.3	-155.4	-177.6	-170.9	0	0	111.9	D27 L28 S32	D27-E30 PolarHBondContact O-N 2.81Å; D27-E30 VanDerWaalsContact O-N 3.08Å; L28-E30 PolarHBondContact O-N 3.42Å; E30-S32 PolarHBondContact O-N 3.46Å
31	F	34.9	Very low	37.5	Very low	99 Å²	99	100.3 Å²	100.3	43%	0.434	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	32.3	162.7	-65.3	-93	0	0	0	111.5	V26 L28 T29 V33	V26-F31 HydrophobicContact CG1-CD2 4.38Å; V26-F31 HydrophobicContact CG1-CE2 3.73Å; L28-F31 HydrophobicContact CD2-CB 4.25Å; L28-F31 HydrophobicContact CD2-CD2 3.71Å; L28-F31 HydrophobicContact CD2-CE2 4.28Å; L28-F31 HydrophobicContact CD2-CG 4.13Å; L28-F31 CarbonylContact O-C 3.6Å; L28-F31 VanDerWaalsContact O-CA 3.3Å; L28-F31 WeakPolarHBondContact O-CA 3.42Å; L28-F31 WeakPolarHBondContact O-CB 3.19Å; L28-F31 PolarHBondContact O-N 3.22Å; T29-F31 VanDerWaalsContact C-N 3.33Å; F31-V33 WeakPolarHBondContact O-CG2 3.3Å; F31-V33 PolarHBondContact O-N 2.77Å
32	S	28.9	Very low	37	Very low	78 Å²	78	96.9 Å²	96.9	55%	0.545	55%	0.547	S	S	.	.			trans	-60	86.5	164.1	35.1	0	0	0	0	108.1	L28 T29 E30 T34	L28-S32 PolarHBondContact O-N 2.92Å; T29-S32 VanDerWaalsContact O-CB 3.23Å; T29-S32 WeakPolarHBondContact O-CB 3.38Å; T29-S32 PolarHBondContact O-N 3.41Å; T29-S32 VanDerWaalsContact O-N 3.15Å; T29-S32 PolarHBondContact O-OG 3.17Å; E30-S32 PolarHBondContact O-N 3.46Å; S32-T34 PolarHBondContact O-N 2.93Å
33	V	32.2	Very low	36.4	Very low	72 Å²	72	93.9 Å²	93.9	44%	0.436	53%	0.53	S	S	.	.			trans	-62.6	92.3	162.4	-166.3	0	0	0	0	103.7	F31 K35 D38 F39	F31-V33 WeakPolarHBondContact O-CG2 3.3Å; F31-V33 PolarHBondContact O-N 2.77Å; V33-K35 WeakPolarHBondContact CG1-O 3.28Å; V33-K35 CarbonylContact O-C 3.12Å; V33-K35 PolarHBondContact O-N 2.86Å; V33-D38 HydrophobicContact CG1-CB 4.33Å; V33-F39 HydrophobicContact CG2-CB 4.5Å
34	T	34.5	Very low	36	Very low	133 Å²	133	94.2 Å²	94.2	82%	0.816	53%	0.531	S	S	*	.	S	Bend	trans	-67.4	1.6	-178.4	45.3	0	0	0	0	112.5	S32	S32-T34 PolarHBondContact O-N 2.93Å
35	K	31.6	Very low	35.9	Very low	144 Å²	144	98.2 Å²	98.2	63%	0.626	55%	0.553	S	S	*	*	S	Bend	trans	-116.2	116.5	162.6	-77.1	-176.6	176	-177.8	0	109.5	V33 G37	V33-K35 WeakPolarHBondContact CG1-O 3.28Å; V33-K35 CarbonylContact O-C 3.12Å; V33-K35 PolarHBondContact O-N 2.86Å; K35-G37 PolarHBondContact O-N 3.49Å
36	T	36.3	Very low	35.6	Very low	143 Å²	143	96.7 Å²	96.7	88%	0.877	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	1.6	172.9	-23.9	0	0	0	0	114.1
37	G	35	Very low	35.4	Very low	35 Å²	35	98.7 Å²	98.7	36%	0.361	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	-34.5	-174.7	0	0	0	0	0	115.6	K35 S41	K35-G37 PolarHBondContact O-N 3.49Å; G37-S41 WeakPolarHBondContact O-CB 3.37Å; G37-S41 PolarHBondContact O-N 3.42Å; G37-S41 PolarHBondContact O-OG 3.31Å
38	D	35.5	Very low	35.2	Very low	99 Å²	99	100.1 Å²	100.1	53%	0.529	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-29.3	-156.2	-65	-11.6	0	0	0	114.6	V33 S42	V33-D38 HydrophobicContact CG1-CB 4.33Å; D38-S42 PolarHBondContact O-OG 2.73Å
39	F	36.2	Very low	34.8	Very low	141 Å²	141	101.6 Å²	101.6	62%	0.618	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-32.1	-176.1	-155.4	-92.4	0	0	0	113.2	V33 S42	V33-F39 HydrophobicContact CG2-CB 4.5Å; F39-S42 PolarHBondContact O-OG 2.88Å
40	L	40.3	Very low	34.8	Very low	111 Å²	111	105.1 Å²	105.1	58%	0.581	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-28.3	179.7	-62.1	-179.5	0	0	0	112.6	S42 L43	L40-S42 VanDerWaalsContact C-N 3.31Å; L40-L43 HydrophobicContact CD2-CD1 3.94Å
41	S	38.4	Very low	34.5	Very low	92 Å²	92	106.1 Å²	106.1	64%	0.643	61%	0.605	S	S	*	*	S	Bend	trans	-78.1	-14.5	175.6	63.8	0	0	0	0	114.1	G37	G37-S41 WeakPolarHBondContact O-CB 3.37Å; G37-S41 PolarHBondContact O-N 3.42Å; G37-S41 PolarHBondContact O-OG 3.31Å
42	S	34.8	Very low	34.6	Very low	88 Å²	88	110.6 Å²	110.6	62%	0.615	63%	0.628	S	S	*	*	S	Bend	trans	-95.3	-7.3	175.1	52.9	0	0	0	0	113.1	D38 F39 L40	D38-S42 PolarHBondContact O-OG 2.73Å; F39-S42 PolarHBondContact O-OG 2.88Å; L40-S42 VanDerWaalsContact C-N 3.31Å
43	L	33.6	Very low	34.7	Very low	71 Å²	71	111.8 Å²	111.8	37%	0.372	63%	0.628	S	S	.	*	S	Bend	trans	-77.2	131.7	166.5	-72.2	165.2	0	0	0	107.7	L40 D45 I47	L40-L43 HydrophobicContact CD2-CD1 3.94Å; L43-D45 PolarHBondContact O-N 3.39Å; L43-I47 HydrophobicContact CB-CD1 4.41Å; L43-I47 HydrophobicContact CD2-CD1 3.94Å
44	P	32.7	Very low	34.5	Very low	83 Å²	83	112.4 Å²	112.4	54%	0.539	63%	0.634	S	S	.	*			trans	-58.7	136	176.2	23.4	-31.2	0	0	0	109.6	S46 I47	P44-S46 PolarHBondContact O-N 3.13Å; P44-I47 HydrophobicContact CG-CD1 4.33Å; P44-I47 HydrophobicContact CG-CG1 4.5Å; P44-I47 PolarHBondContact O-N 3.46Å
45	D	38.5	Very low	34.3	Very low	136 Å²	136	111 Å²	111	73%	0.727	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-52.4	-18.8	-177.9	-69.2	-35.4	0	0	0	113.2	L43 I47 L48	L43-D45 PolarHBondContact O-N 3.39Å; D45-I47 PolarHBondContact O-N 3.42Å; D45-L48 PolarHBondContact O-N 3.31Å; D45-L48 VanDerWaalsContact O-N 3.13Å
46	S	33.4	Very low	34.3	Very low	70 Å²	70	110.7 Å²	110.7	49%	0.49	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-65.5	-12.8	178.6	-168.8	0	0	0	0	115.6	P44 L48	P44-S46 PolarHBondContact O-N 3.13Å; S46-L48 VanDerWaalsContact C-N 3.34Å
47	I	38.2	Very low	34.4	Very low	121 Å²	121	110.6 Å²	110.6	62%	0.621	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-85.4	-12.7	175.5	-49.1	172.7	0	0	0	111.3	L43 P44 D45	L43-I47 HydrophobicContact CB-CD1 4.41Å; L43-I47 HydrophobicContact CD2-CD1 3.94Å; P44-I47 HydrophobicContact CG-CD1 4.33Å; P44-I47 HydrophobicContact CG-CG1 4.5Å; P44-I47 PolarHBondContact O-N 3.46Å; D45-I47 PolarHBondContact O-N 3.42Å
48	L	33.2	Very low	34.2	Very low	121 Å²	121	116.9 Å²	116.9	63%	0.634	65%	0.653	S	S	*	*	S	Bend	trans	-98.7	10.9	-179.8	-90.2	161	0	0	0	113.5	D45 S46 D50	D45-L48 PolarHBondContact O-N 3.31Å; D45-L48 VanDerWaalsContact O-N 3.13Å; S46-L48 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 2.82Å
49	S	28.1	Very low	34	Very low	95 Å²	95	119.9 Å²	119.9	66%	0.664	67%	0.669	S	S	*	*			trans	-84.3	101.3	169.9	-56.7	0	0	0	0	108.9	D51	S49-D51 PolarHBondContact O-N 3.41Å; S49-D51 VanDerWaalsContact O-N 3.15Å
50	D	36.6	Very low	33.6	Very low	156 Å²	156	119.4 Å²	119.4	83%	0.834	68%	0.677	S	S	*	*			trans	-51.3	108	161.5	-73.9	-36.2	0	0	0	108.8	L48	L48-D50 PolarHBondContact O-N 2.82Å
51	D	31.2	Very low	32.8	Very low	140 Å²	140	122.3 Å²	122.3	75%	0.749	69%	0.688	S	S	*	*			trans	-136.8	105.3	146.3	-107.8	-27.4	0	0	0	107.2	S49 N53	S49-D51 PolarHBondContact O-N 3.41Å; S49-D51 VanDerWaalsContact O-N 3.15Å; D51-N53 PolarHBondContact O-N 2.65Å
52	E	36.8	Very low	32.3	Very low	194 Å²	194	123.3 Å²	123.3	91%	0.907	69%	0.692	S	S	*	*			trans	-58.3	100.6	162.9	-65.9	-152	154.7	0	0	108.8
53	N	31.6	Very low	31.9	Very low	103 Å²	103	124.1 Å²	124.1	55%	0.551	70%	0.698	S	S	*	*			trans	-163.9	142.6	135.1	-150	4.8	0	0	0	113.4	D51 L99	D51-N53 PolarHBondContact O-N 2.65Å; N53-L99 HydrophobicContact CB-CD1 4.47Å
54	C	27.4	Very low	31.6	Very low	84 Å²	84	128.7 Å²	128.7	57%	0.568	72%	0.721	S	S	*	*			trans	-51.3	147.4	168.2	-154.2	0	0	0	0	112.9
55	C	30.9	Very low	31.4	Very low	104 Å²	104	130.9 Å²	130.9	70%	0.703	73%	0.733	S	S	*	*			trans	-143.2	105.9	151.6	-83.3	0	0	0	0	107.9	V57	C55-V57 PolarHBondContact O-N 3Å
56	D	31.3	Very low	30.7	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	74%	0.739	S	S	*	*			trans	-47.2	116	173.9	-66.3	-59.3	0	0	0	111.5	E58	D56-E58 VanDerWaalsContact C-N 3.28Å; D56-E58 PolarHBondContact O-N 3.16Å
57	V	39.3	Very low	30.4	Very low	141 Å²	141	137.3 Å²	137.3	86%	0.855	76%	0.758	S	S	*	*			trans	-80.3	87.9	169.2	-179	0	0	0	0	107.3	C55 N59	C55-V57 PolarHBondContact O-N 3Å; V57-N59 PolarHBondContact O-N 3.17Å; V57-N59 VanDerWaalsContact O-N 3.13Å
58	E	30.3	Very low	29.8	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	77%	0.766	S	S	*	*			trans	-53.6	113.8	166.1	-74.9	-164.3	145.3	0	0	110.2	D56 V60	D56-E58 VanDerWaalsContact C-N 3.28Å; D56-E58 PolarHBondContact O-N 3.16Å; E58-V60 PolarHBondContact O-N 3.16Å
59	N	30.2	Very low	29.5	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	77%	0.774	S	S	*	*			trans	13.3	67.4	141.4	-133	21.4	0	0	0	117.2	V57 Q61	V57-N59 PolarHBondContact O-N 3.17Å; V57-N59 VanDerWaalsContact O-N 3.13Å; N59-Q61 VanDerWaalsContact C-N 3.3Å; N59-Q61 PolarHBondContact O-N 3.25Å
60	V	28.3	Very low	29.7	Very low	131 Å²	131	135.7 Å²	135.7	79%	0.794	78%	0.78	S	S	*	*			trans	-74	90.6	167.2	-175.8	0	0	0	0	108.3	E58 P62	E58-V60 PolarHBondContact O-N 3.16Å; V60-P62 WeakPolarHBondContact O-CD 3.33Å
61	Q	23	Very low	29.3	Very low	172 Å²	172	134.6 Å²	134.6	80%	0.804	78%	0.779	S	S	*	*			trans	-62.7	118.9	171.6	-160	-176.8	8.8	0	0	109.1	N59 S63	N59-Q61 VanDerWaalsContact C-N 3.3Å; N59-Q61 PolarHBondContact O-N 3.25Å; Q61-S63 PolarHBondContact O-N 2.92Å
62	P	29.3	Very low	29.3	Very low	113 Å²	113	135.5 Å²	135.5	73%	0.734	78%	0.784	S	S	*	*			trans	-72.8	106.9	-178.8	-6.6	19.6	0	0	0	110.1	V60 I64	V60-P62 WeakPolarHBondContact O-CD 3.33Å; P62-I64 PolarHBondContact O-N 3.02Å; P62-I64 VanDerWaalsContact O-N 3.14Å
63	S	25.5	Very low	28.9	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	78%	0.779	S	S	*	*			trans	-71.8	107.1	171.3	78.5	0	0	0	0	109.9	Q61 T65	Q61-S63 PolarHBondContact O-N 2.92Å; S63-T65 PolarHBondContact O-N 3.47Å
64	I	28.7	Very low	28.9	Very low	167 Å²	167	133.8 Å²	133.8	86%	0.856	79%	0.79	S	S	*	*			trans	-77.1	93.6	172.6	34.3	165.3	0	0	0	110.5	P62	P62-I64 PolarHBondContact O-N 3.02Å; P62-I64 VanDerWaalsContact O-N 3.14Å
65	T	26.7	Very low	29.1	Very low	129 Å²	129	137.2 Å²	137.2	79%	0.791	80%	0.802	S	S	*	*			trans	-96.5	117.2	160.1	48.8	0	0	0	0	110.6	S63	S63-T65 PolarHBondContact O-N 3.47Å
66	K	25.7	Very low	29	Very low	196 Å²	196	139 Å²	139	85%	0.852	80%	0.803	S	S	*	*			trans	-37.6	132.5	168.5	-79.7	168.8	168.2	170.6	0	112.8
67	T	26.5	Very low	28.8	Very low	144 Å²	144	135.8 Å²	135.8	88%	0.883	80%	0.802	S	S	*	*				169.4	140.6	105.1	36	0	0	0	0	110
68	G	25.6	Very low	28.3	Very low	76 Å²	76	134.6 Å²	134.6	78%	0.784	80%	0.796	S	S	*	*			trans	107.6	82.7	157.8	0	0	0	0	0	116.9
69	S	26.9	Very low	28.1	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	80%	0.798	S	S	*	*			trans	15.5	112.5	140.5	-172.9	0	0	0	0	118.5
70	S	31.7	Very low	27.7	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	79%	0.787	S	S	*	*				176.3	135.6	110.3	-70.7	0	0	0	0	110.5	N72	S70-N72 PolarHBondContact O-N 3.1Å
71	T	27.7	Very low	27.7	Very low	134 Å²	134	129.9 Å²	129.9	82%	0.822	79%	0.786	S	S	*	*			trans	-70.5	114.1	-172.4	46.3	0	0	0	0	113.2
72	N	32.5	Very low	28.2	Very low	158 Å²	158	128.7 Å²	128.7	85%	0.845	79%	0.791	S	S	*	*			trans	-152.5	110.9	133.6	-91.5	-25.4	0	0	0	107.5	S70 T74	S70-N72 PolarHBondContact O-N 3.1Å; N72-T74 PolarHBondContact O-N 3.03Å
73	T	28	Very low	28	Very low	132 Å²	132	132 Å²	132	81%	0.81	80%	0.797	S	S	*	*			trans	-69.9	108.4	-167.3	21.6	0	0	0	0	112.5	I75	T73-I75 PolarHBondContact O-N 3.18Å
74	T	31.3	Very low	28.2	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	80%	0.803	S	S	*	*			trans	-73.3	109.8	160.7	-59.6	0	0	0	0	108.4	N72 I76	N72-T74 PolarHBondContact O-N 3.03Å; T74-I76 PolarHBondContact O-N 3Å
75	I	32.9	Very low	28.2	Very low	157 Å²	157	137 Å²	137	81%	0.805	80%	0.802	S	S	*	*			trans	-83	107.4	176.1	-60.2	174.4	0	0	0	107.8	T73	T73-I75 PolarHBondContact O-N 3.18Å
76	I	27.8	Very low	28.5	Very low	141 Å²	141	139.2 Å²	139.2	72%	0.723	80%	0.803	S	S	*	*			trans	-75.9	117.2	170	-59	174.5	0	0	0	107.1	T74 T78	T74-I76 PolarHBondContact O-N 3Å; I76-T78 HydrophobicContact CG2-CG2 4.45Å
77	G	27.8	Very low	28.5	Very low	71 Å²	71	139 Å²	139	73%	0.732	81%	0.806	S	S	*	*			trans	-85.9	107.3	171	0	0	0	0	0	109.6
78	T	27.1	Very low	28.9	Very low	116 Å²	116	141.7 Å²	141.7	71%	0.712	81%	0.808	S	S	*	*			trans	-88.6	123.1	164.7	50	0	0	0	0	108.4	I76	I76-T78 HydrophobicContact CG2-CG2 4.45Å
79	C	26.1	Very low	29.1	Very low	123 Å²	123	147.6 Å²	147.6	83%	0.831	82%	0.815	S	S	*	*			trans	-93.6	94.8	166.7	-59.3	0	0	0	0	107
80	S	23.5	Very low	29.2	Very low	91 Å²	91	145.8 Å²	145.8	64%	0.636	81%	0.814	S	S	*	*			trans	-78.7	154.2	170.4	-57.8	0	0	0	0	110.9
81	D	27.4	Very low	29.1	Very low	145 Å²	145	149.4 Å²	149.4	78%	0.775	82%	0.819	S	S	*	*			trans	101.6	85.5	157.1	-54.5	-19.4	0	0	0	116.2
82	T	32.6	Very low	29.2	Very low	147 Å²	147	152.6 Å²	152.6	90%	0.902	82%	0.821	S	S	*	*			trans	-140.4	118	134.6	19	0	0	0	0	110
83	E	26.6	Very low	29.2	Very low	182 Å²	182	156.3 Å²	156.3	85%	0.85	82%	0.824	S	S	*	*			trans	-78.5	133.9	172.5	-52.6	178.2	163.6	0	0	109.5
84	K	29.8	Very low	29.4	Very low	199 Å²	199	159.2 Å²	159.2	87%	0.865	83%	0.828	S	S	*	*			trans	166.8	99	153.3	-98.2	177	178.1	-167.4	0	107.4
85	E	28.3	Very low	29.7	Very low	181 Å²	181	158.4 Å²	158.4	85%	0.846	82%	0.823	S	S	*	*				55.9	125.3	83.4	-76.5	-159.3	165	0	0	115.9
86	E	32.1	Very low	29.6	Very low	174 Å²	174	160.1 Å²	160.1	81%	0.813	83%	0.827	S	S	*	*			trans	78.1	96.8	165.9	-61.4	179.7	165	0	0	116.8
87	E	26.9	Very low	29.9	Very low	193 Å²	193	156.1 Å²	156.1	90%	0.902	81%	0.812	S	S	*	*				54.8	99.5	82.9	-79.1	-168.5	169.3	0	0	114.2
88	E	33.8	Very low	30.2	Very low	199 Å²	199	159.1 Å²	159.1	93%	0.93	82%	0.818	S	S	*	*				-162.7	131.4	123.7	-123.9	-175.9	173.9	0	0	111.9
89	E	31.2	Very low	30.6	Very low	201 Å²	201	157 Å²	157	94%	0.939	80%	0.802	S	S	*	*			trans	-68.3	146.7	173.5	-66.5	178.3	125.8	0	0	111.9
90	G	27.6	Very low	30.9	Very low	76 Å²	76	160.1 Å²	160.1	78%	0.784	80%	0.802	S	S	*	*			trans	178.3	70.7	171.9	0	0	0	0	0	118
91	E	30.5	Very low	31.5	Very low	188 Å²	188	161.6 Å²	161.6	88%	0.879	80%	0.803	S	S	*	*			trans	71.1	99.2	137	-144.7	172.1	-158.3	0	0	121.6
92	K	28.5	Very low	32.1	Very low	202 Å²	202	163.4 Å²	163.4	88%	0.878	81%	0.807	S	S	*	*			trans	1	118.7	144.8	-61.8	177.2	178	180	0	118
93	R	34.4	Very low	32.5	Very low	236 Å²	236	163 Å²	163	89%	0.891	80%	0.799	S	S	*	*			trans	-133.8	116.7	142.6	-73	-168.1	-172.3	122.3	7.3	110.6	V95	R93-V95 PolarHBondContact O-N 3.33Å
94	E	31.1	Very low	33.4	Very low	192 Å²	192	157.4 Å²	157.4	90%	0.897	78%	0.78	S	S	*	*			trans	-64.7	116.8	164.1	-67.6	171.1	163.2	0	0	108.6
95	V	37.4	Very low	34.2	Very low	113 Å²	113	157.5 Å²	157.5	69%	0.685	78%	0.78	S	S	*	*			trans	-127	97.7	159.4	-179	0	0	0	0	106.4	R93 S97	R93-V95 PolarHBondContact O-N 3.33Å; V95-S97 PolarHBondContact O-N 2.95Å
96	E	30.5	Very low	35.4	Very low	192 Å²	192	153.9 Å²	153.9	90%	0.897	76%	0.764	S	S	*	*			trans	-62	115.9	162.4	-74	-179	144.9	0	0	108.6
97	S	34.4	Very low	37.2	Very low	57 Å²	57	150.1 Å²	150.1	40%	0.399	75%	0.75	S	S	.	*			trans	-130.4	116.2	157.3	54	0	0	0	0	108.4	V95 L99	V95-S97 PolarHBondContact O-N 2.95Å; S97-L99 PolarHBondContact O-N 2.89Å
98	P	34.6	Very low	39	Very low	135 Å²	135	145.3 Å²	145.3	88%	0.877	73%	0.726	S	S	*	*			trans	-69.1	96.9	177.9	-9.7	24.5	0	0	0	109.4	F100	P98-F100 VanDerWaalsContact C-N 3.26Å; P98-F100 PolarHBondContact O-N 3.43Å
99	L	34.5	Very low	40.8	Very low	70 Å²	70	141.7 Å²	141.7	37%	0.366	71%	0.713	S	S	.	*			trans	-83.1	10.4	-171.9	-107.8	160.6	0	0	0	114.7	N53 S97	N53-L99 HydrophobicContact CB-CD1 4.47Å; S97-L99 PolarHBondContact O-N 2.89Å
100	F	32.9	Very low	42.7	Very low	189 Å²	189	133.8 Å²	133.8	83%	0.829	69%	0.686	S	S	*	*			trans	-120.8	94.9	-176.5	-65.5	-77.7	0	0	0	110.8	P98 E102	P98-F100 VanDerWaalsContact C-N 3.26Å; P98-F100 PolarHBondContact O-N 3.43Å; F100-E102 PolarHBondContact O-N 3.3Å
101	N	36.4	Very low	44.3	Very low	122 Å²	122	133 Å²	133	65%	0.652	66%	0.663	S	S	*	*			trans	-67.7	91.4	156.4	173.1	7.1	0	0	0	108	N103 S104	N101-N103 PolarHBondContact O-N 3.49Å; N101-N103 WeakPolarHBondContact OD1-CA 3.44Å; N101-N103 WeakPolarHBondContact OD1-CB 3.3Å; N101-N103 PolarHBondContact OD1-N 2.67Å; N101-S104 PolarHBondContact O-N 3.05Å
102	E	40.6	Very low	46.2	Very low	184 Å²	184	131.5 Å²	131.5	86%	0.86	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-7.8	176.5	-151.6	-179	174.9	0	0	113.3	F100	F100-E102 PolarHBondContact O-N 3.3Å
103	N	40	Very low	48.2	Very low	139 Å²	139	124.7 Å²	124.7	74%	0.743	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	6.7	-175.8	-63.7	-23.9	0	0	0	114.8	N101 K105	N101-N103 PolarHBondContact O-N 3.49Å; N101-N103 WeakPolarHBondContact OD1-CA 3.44Å; N101-N103 WeakPolarHBondContact OD1-CB 3.3Å; N101-N103 PolarHBondContact OD1-N 2.67Å; N103-K105 PolarHBondContact O-N 2.91Å
104	S	45.9	Very low	49.8	Very low	63 Å²	63	116.4 Å²	116.4	44%	0.441	62%	0.617	S	S	.	*			trans	-69.1	86.9	164.3	168.7	0	0	0	0	108.9	N101 M106	N101-S104 PolarHBondContact O-N 3.05Å; S104-M106 VanDerWaalsContact C-N 3.28Å; S104-M106 PolarHBondContact O-N 3.35Å
105	K	45.9	Very low	51.6	Low	201 Å²	201	110 Å²	110	87%	0.874	59%	0.589	S	S	*	*			trans	-61.9	92.7	172.8	-166.7	174.2	-173.3	-178.9	0	108.5	N103 D107	N103-K105 PolarHBondContact O-N 2.91Å; K105-D107 PolarHBondContact O-N 3.15Å
106	M	54.7	Low	53.2	Low	105 Å²	105	106.7 Å²	106.7	52%	0.517	57%	0.57	S	S	.	*			trans	-64.6	122	-177.8	-164.7	163.7	-137.8	0	0	109.3	S104 F108 I111	S104-M106 VanDerWaalsContact C-N 3.28Å; S104-M106 PolarHBondContact O-N 3.35Å; M106-F108 PolarHBondContact O-N 2.88Å; M106-I111 HydrophobicContact CE-CD1 4.07Å; M106-I111 HydrophobicContact CG-CD1 3.83Å; M106-I111 HydrophobicContact SD-CD1 3.89Å
107	D	69	Low	55.2	Low	96 Å²	96	100.6 Å²	100.6	51%	0.513	55%	0.549	S	S	.	.			trans	-79.3	92.6	-179.3	-177.7	20.5	0	0	0	110.8	K105 N109 G110 I111	K105-D107 PolarHBondContact O-N 3.15Å; D107-N109 PolarHBondContact O-N 3.39Å; D107-N109 WeakPolarHBondContact OD1-CB 3.43Å; D107-N109 PolarHBondContact OD1-N 2.9Å; D107-G110 WeakPolarHBondContact O-CA 3.37Å; D107-G110 PolarHBondContact O-N 3.44Å; D107-G110 PolarHBondContact OD2-N 2.85Å; D107-G110 VanDerWaalsContact OD2-N 3.16Å; D107-I111 PolarHBondContact O-N 3.33Å; D107-I111 VanDerWaalsContact O-N 3.1Å
108	F	64.5	Low	57.1	Low	92 Å²	92	101.9 Å²	101.9	40%	0.404	55%	0.551	S	S	.	*	H	α-helix	trans	-53.9	-30.8	173.2	-77.2	-83.7	0	0	0	113.2	M106 I111 K112 I213	M106-F108 PolarHBondContact O-N 2.88Å; F108-I111 PolarHBondContact O-N 3.45Å; F108-K112 VanDerWaalsContact O-CB 3.3Å; F108-K112 WeakPolarHBondContact O-CB 3.32Å; F108-K112 PolarHBondContact O-N 2.88Å; F108-I213 HydrophobicContact CE1-CD1 4.35Å; F108-I213 HydrophobicContact CE2-CD1 3.69Å; F108-I213 HydrophobicContact CE2-CG2 4.38Å; F108-I213 HydrophobicContact CZ-CD1 3.29Å; F108-I213 HydrophobicContact CZ-CG2 4.41Å
109	N	72.3	Confident	58.9	Low	122 Å²	122	101.9 Å²	101.9	65%	0.652	54%	0.539	S	S	*	.	H	α-helix	trans	-69.7	-38.7	176.9	-62.9	-47.9	0	0	0	110.9	D107 K112 A113	D107-N109 PolarHBondContact O-N 3.39Å; D107-N109 WeakPolarHBondContact OD1-CB 3.43Å; D107-N109 PolarHBondContact OD1-N 2.9Å; N109-K112 PolarHBondContact O-N 3.38Å; N109-A113 VanDerWaalsContact O-CB 3.27Å; N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 2.56Å
110	G	70.4	Confident	60.8	Low	35 Å²	35	105.3 Å²	105.3	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-59.5	-47	172.2	0	0	0	0	0	112.4	D107 A113 A114	D107-G110 WeakPolarHBondContact O-CA 3.37Å; D107-G110 PolarHBondContact O-N 3.44Å; D107-G110 PolarHBondContact OD2-N 2.85Å; D107-G110 VanDerWaalsContact OD2-N 3.16Å; G110-A113 PolarHBondContact O-N 3.39Å; G110-A114 WeakPolarHBondContact O-CB 3.18Å; G110-A114 PolarHBondContact O-N 2.89Å
111	I	62.6	Low	62.5	Low	61 Å²	61	98.6 Å²	98.6	31%	0.313	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-47.4	176.9	-63.5	173.4	0	0	0	110.8	M106 D107 F108 A113 A114 L115	M106-I111 HydrophobicContact CE-CD1 4.07Å; M106-I111 HydrophobicContact CG-CD1 3.83Å; M106-I111 HydrophobicContact SD-CD1 3.89Å; D107-I111 PolarHBondContact O-N 3.33Å; D107-I111 VanDerWaalsContact O-N 3.1Å; F108-I111 PolarHBondContact O-N 3.45Å; I111-A113 VanDerWaalsContact C-N 3.29Å; I111-A113 PolarHBondContact O-N 2.82Å; I111-A114 PolarHBondContact O-N 3.18Å; I111-L115 HydrophobicContact CG2-CD1 4.15Å; I111-L115 HydrophobicContact CG2-CG 4.5Å; I111-L115 WeakPolarHBondContact O-CG 3.27Å; I111-L115 PolarHBondContact O-N 2.87Å
112	K	69.5	Low	64	Low	155 Å²	155	95 Å²	95	67%	0.674	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-37.8	178.8	-168.4	173.8	-176.4	175.3	0	112.1	F108 N109 S116	F108-K112 VanDerWaalsContact O-CB 3.3Å; F108-K112 WeakPolarHBondContact O-CB 3.32Å; F108-K112 PolarHBondContact O-N 2.88Å; N109-K112 PolarHBondContact O-N 3.38Å; K112-S116 WeakPolarHBondContact O-CB 3.35Å; K112-S116 PolarHBondContact O-N 3.3Å
113	A	71.8	Confident	65.2	Low	60 Å²	60	88.6 Å²	88.6	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-66.9	-43	174.7	0	0	0	0	0	111.8	N109 G110 I111 S116 S117	N109-A113 VanDerWaalsContact O-CB 3.27Å; N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 2.56Å; G110-A113 PolarHBondContact O-N 3.39Å; I111-A113 VanDerWaalsContact C-N 3.29Å; I111-A113 PolarHBondContact O-N 2.82Å; A113-S116 PolarHBondContact O-N 3.35Å; A113-S117 WeakPolarHBondContact O-CB 3.47Å; A113-S117 PolarHBondContact O-N 2.77Å
114	A	68.1	Low	66.7	Low	61 Å²	61	84.4 Å²	84.4	50%	0.504	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-45.3	176.1	0	0	0	0	0	111.5	G110 I111 S117 L118	G110-A114 WeakPolarHBondContact O-CB 3.18Å; G110-A114 PolarHBondContact O-N 2.89Å; I111-A114 PolarHBondContact O-N 3.18Å; A114-S117 WeakPolarHBondContact O-CB 3.44Å; A114-S117 PolarHBondContact O-N 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.35Å; A114-L118 PolarHBondContact O-N 3.43Å
115	L	67.1	Low	67.5	Low	59 Å²	59	84.2 Å²	84.2	31%	0.309	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-43.6	175.7	-72.1	174.8	0	0	0	112.2	I111 S117 L118 E119 L202	I111-L115 HydrophobicContact CG2-CD1 4.15Å; I111-L115 HydrophobicContact CG2-CG 4.5Å; I111-L115 WeakPolarHBondContact O-CG 3.27Å; I111-L115 PolarHBondContact O-N 2.87Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 3.37Å; L115-L118 PolarHBondContact O-N 2.9Å; L115-E119 WeakPolarHBondContact O-CB 3.44Å; L115-E119 PolarHBondContact O-N 2.99Å; L115-L202 HydrophobicContact CD2-CD1 3.92Å
116	S	71.2	Confident	68	Low	42 Å²	42	77.8 Å²	77.8	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-37.5	175.6	-173.8	0	0	0	0	112.2	K112 A113 E119 K120	K112-S116 WeakPolarHBondContact O-CB 3.35Å; K112-S116 PolarHBondContact O-N 3.3Å; A113-S116 PolarHBondContact O-N 3.35Å; S116-E119 PolarHBondContact O-N 3.39Å; S116-K120 VanDerWaalsContact O-CG 3.3Å; S116-K120 WeakPolarHBondContact O-CG 3.49Å; S116-K120 PolarHBondContact O-N 3.17Å
117	S	73.2	Confident	68.6	Low	65 Å²	65	79.8 Å²	79.8	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-41.3	175.8	-168.3	0	0	0	0	111.6	A113 A114 L115 K120 S121	A113-S117 WeakPolarHBondContact O-CB 3.47Å; A113-S117 PolarHBondContact O-N 2.77Å; A114-S117 WeakPolarHBondContact O-CB 3.44Å; A114-S117 PolarHBondContact O-N 3.31Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 3.37Å; S117-K120 PolarHBondContact O-N 2.75Å; S117-S121 WeakPolarHBondContact O-CB 3.46Å; S117-S121 PolarHBondContact O-N 2.86Å; S117-S121 PolarHBondContact O-OG 3.08Å
118	L	74.1	Confident	68.1	Low	83 Å²	83	81.2 Å²	81.2	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-62	-48	174.1	-178.2	63.4	0	0	0	110.9	A114 L115 K120 S121 V122 L202	A114-L118 WeakPolarHBondContact O-CB 3.35Å; A114-L118 PolarHBondContact O-N 3.43Å; L115-L118 PolarHBondContact O-N 2.9Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 2.84Å; L118-S121 WeakPolarHBondContact O-CB 3.42Å; L118-S121 PolarHBondContact O-N 3.41Å; L118-S121 VanDerWaalsContact O-N 3.11Å; L118-V122 HydrophobicContact CD1-CG2 4.19Å; L118-V122 HydrophobicContact CG-CG2 4.37Å; L118-V122 WeakPolarHBondContact O-CB 3.39Å; L118-V122 VanDerWaalsContact O-CG2 3.25Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.06Å; L118-L202 HydrophobicContact CD2-CD1 4.3Å
119	E	72.1	Confident	67.6	Low	135 Å²	135	80 Å²	80	63%	0.631	43%	0.426	S	S	*	.	H	α-helix	trans	-58.2	-43.1	178.1	-172.7	-179.7	-168.7	0	0	112.1	L115 S116 S123	L115-E119 WeakPolarHBondContact O-CB 3.44Å; L115-E119 PolarHBondContact O-N 2.99Å; S116-E119 PolarHBondContact O-N 3.39Å; E119-S123 VanDerWaalsContact O-CB 3.31Å; E119-S123 WeakPolarHBondContact O-CB 3.46Å; E119-S123 PolarHBondContact O-N 2.99Å; E119-S123 PolarHBondContact O-OG 2.72Å
120	K	75.6	Confident	66.8	Low	143 Å²	143	77.5 Å²	77.5	62%	0.622	41%	0.41	S	S	*	.	H	α-helix	trans	-64.9	-41.8	174.6	-73.1	168.5	-176	167	0	112.1	S116 S117 L118 S123 S124	S116-K120 VanDerWaalsContact O-CG 3.3Å; S116-K120 WeakPolarHBondContact O-CG 3.49Å; S116-K120 PolarHBondContact O-N 3.17Å; S117-K120 PolarHBondContact O-N 2.75Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 2.84Å; K120-S123 PolarHBondContact O-N 3.37Å; K120-S124 VanDerWaalsContact O-CB 3.24Å; K120-S124 WeakPolarHBondContact O-CB 3.38Å; K120-S124 PolarHBondContact O-N 2.85Å
121	S	67.5	Low	65.9	Low	47 Å²	47	85.4 Å²	85.4	33%	0.329	43%	0.429	S	S	.	.	H	α-helix	trans	-64.5	-44.2	179.3	-63.1	0	0	0	0	111	S117 L118 S124 W125	S117-S121 WeakPolarHBondContact O-CB 3.46Å; S117-S121 PolarHBondContact O-N 2.86Å; S117-S121 PolarHBondContact O-OG 3.08Å; L118-S121 WeakPolarHBondContact O-CB 3.42Å; L118-S121 PolarHBondContact O-N 3.41Å; L118-S121 VanDerWaalsContact O-N 3.11Å; S121-S124 PolarHBondContact O-N 2.89Å; S121-W125 WeakPolarHBondContact O-CB 3.34Å; S121-W125 PolarHBondContact O-N 3.31Å
122	V	67.3	Low	65.1	Low	47 Å²	47	89.7 Å²	89.7	29%	0.285	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.4	174.7	0	0	0	0	111	L118 S124 W125 E126 K195	L118-V122 HydrophobicContact CD1-CG2 4.19Å; L118-V122 HydrophobicContact CG-CG2 4.37Å; L118-V122 WeakPolarHBondContact O-CB 3.39Å; L118-V122 VanDerWaalsContact O-CG2 3.25Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.06Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 2.66Å; V122-W125 PolarHBondContact O-N 3.05Å; V122-E126 WeakPolarHBondContact O-CG 3.42Å; V122-E126 PolarHBondContact O-N 2.87Å; V122-K195 HydrophobicContact CG1-CD 3.98Å
123	S	67.5	Low	64	Low	50 Å²	50	87.3 Å²	87.3	35%	0.35	44%	0.441	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.4	-64.3	0	0	0	0	112.5	E119 K120 K127	E119-S123 VanDerWaalsContact O-CB 3.31Å; E119-S123 WeakPolarHBondContact O-CB 3.46Å; E119-S123 PolarHBondContact O-N 2.99Å; E119-S123 PolarHBondContact O-OG 2.72Å; K120-S123 PolarHBondContact O-N 3.37Å; S123-K127 WeakPolarHBondContact O-CG 3.2Å; S123-K127 PolarHBondContact O-N 3.18Å
124	S	69.9	Low	62.6	Low	50 Å²	50	91.8 Å²	91.8	35%	0.35	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-42	175.8	-176	0	0	0	0	111.6	K120 S121 V122 K127 R128	K120-S124 VanDerWaalsContact O-CB 3.24Å; K120-S124 WeakPolarHBondContact O-CB 3.38Å; K120-S124 PolarHBondContact O-N 2.85Å; S121-S124 PolarHBondContact O-N 2.89Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 2.66Å; S124-K127 PolarHBondContact O-N 3.42Å; S124-R128 PolarHBondContact O-N 3.39Å; S124-R128 PolarHBondContact OG-NH2 2.9Å
125	W	63.6	Low	61.3	Low	60 Å²	60	91.1 Å²	91.1	23%	0.227	46%	0.456	C	S	.	.	H	α-helix	trans	-62	-44.2	174.8	178	85	0	0	0	111.9	S121 V122 K127 R128 R129	S121-W125 WeakPolarHBondContact O-CB 3.34Å; S121-W125 PolarHBondContact O-N 3.31Å; V122-W125 PolarHBondContact O-N 3.05Å; W125-K127 PolarHBondContact O-N 3.21Å; W125-R128 PolarHBondContact O-N 2.85Å; W125-R129 WeakPolarHBondContact O-CB 3.49Å; W125-R129 PolarHBondContact O-N 3.34Å
126	E	56.2	Low	59.9	Low	65 Å²	65	92.7 Å²	92.7	30%	0.304	47%	0.472	S	S	.	.	H	α-helix	trans	-59.8	-47.1	174.4	-75.2	-176.4	163.3	0	0	111.8	V122 R128 R129 F130 K195	V122-E126 WeakPolarHBondContact O-CG 3.42Å; V122-E126 PolarHBondContact O-N 2.87Å; E126-R128 VanDerWaalsContact C-N 3.31Å; E126-R128 PolarHBondContact O-N 2.61Å; E126-R129 PolarHBondContact O-N 2.86Å; E126-F130 HydrophobicContact CB-CD2 4.09Å; E126-F130 HydrophobicContact CB-CE2 4.3Å; E126-F130 HydrophobicContact CG-CE2 4.23Å; E126-F130 WeakPolarHBondContact O-CB 3.42Å; E126-F130 WeakPolarHBondContact O-CD2 3.33Å; E126-F130 PolarHBondContact O-N 3.26Å; E126-K195 VanDerWaalsContact CD-NZ 3.32Å; E126-K195 VanDerWaalsContact CG-NZ 3.33Å; E126-K195 IonicContact OE1-NZ 2.64Å; E126-K195 PolarHBondContact OE1-NZ 3.47Å
127	K	66.9	Low	58.2	Low	147 Å²	147	97.1 Å²	97.1	64%	0.639	49%	0.493	S	S	*	.	H	α-helix	trans	-58	-42.7	176.8	-76	176.2	-178.7	174.6	0	111.9	S123 S124 W125 R131	S123-K127 WeakPolarHBondContact O-CG 3.2Å; S123-K127 PolarHBondContact O-N 3.18Å; S124-K127 PolarHBondContact O-N 3.42Å; W125-K127 PolarHBondContact O-N 3.21Å; K127-R131 WeakPolarHBondContact O-CB 3.42Å; K127-R131 VanDerWaalsContact O-CG 3.26Å; K127-R131 WeakPolarHBondContact O-CG 3.3Å; K127-R131 PolarHBondContact O-N 3.45Å
128	R	59.3	Low	56.2	Low	127 Å²	127	102 Å²	102	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-49	178.1	-85.2	179.7	-92.8	128.6	-6	111.8	S124 W125 E126 Q132	S124-R128 PolarHBondContact O-N 3.39Å; S124-R128 PolarHBondContact OG-NH2 2.9Å; W125-R128 PolarHBondContact O-N 2.85Å; E126-R128 VanDerWaalsContact C-N 3.31Å; E126-R128 PolarHBondContact O-N 2.61Å; R128-Q132 WeakPolarHBondContact O-CG 3.45Å; R128-Q132 PolarHBondContact O-N 3.48Å; R128-Q132 VanDerWaalsContact O-N 3.16Å
129	R	54.4	Low	54.3	Low	65 Å²	65	105.5 Å²	105.5	25%	0.245	53%	0.526	C	S	.	.	H	α-helix	trans	-65.1	-43.6	-178.6	-163.6	-173	-173.2	179	4.2	112.3	W125 E126 I133	W125-R129 WeakPolarHBondContact O-CB 3.49Å; W125-R129 PolarHBondContact O-N 3.34Å; E126-R129 PolarHBondContact O-N 2.86Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 3.3Å
130	F	55.4	Low	52.4	Low	71 Å²	71	104.3 Å²	104.3	31%	0.311	53%	0.528	S	S	.	.	H	α-helix	trans	-84.3	-26.4	-177.7	-66.4	-68.1	0	0	0	113.9	E126 Q132 I133 N134 P188	E126-F130 HydrophobicContact CB-CD2 4.09Å; E126-F130 HydrophobicContact CB-CE2 4.3Å; E126-F130 HydrophobicContact CG-CE2 4.23Å; E126-F130 WeakPolarHBondContact O-CB 3.42Å; E126-F130 WeakPolarHBondContact O-CD2 3.33Å; E126-F130 PolarHBondContact O-N 3.26Å; F130-Q132 VanDerWaalsContact C-N 3.31Å; F130-I133 HydrophobicContact CD1-CD1 3.66Å; F130-I133 HydrophobicContact CE1-CD1 4.04Å; F130-I133 PolarHBondContact O-N 3.35Å; F130-N134 PolarHBondContact O-N 2.71Å; F130-P188 HydrophobicContact CE1-CB 4.23Å; F130-P188 HydrophobicContact CE1-CG 3.99Å; F130-P188 HydrophobicContact CZ-CB 4.08Å; F130-P188 HydrophobicContact CZ-CG 4.28Å
131	R	51.3	Low	50.2	Low	200 Å²	200	101.4 Å²	101.4	76%	0.755	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-34.9	167	-81.8	-178.3	161.5	-107	-0.1	112	K127 I133 N134 G135	K127-R131 WeakPolarHBondContact O-CB 3.42Å; K127-R131 VanDerWaalsContact O-CG 3.26Å; K127-R131 WeakPolarHBondContact O-CG 3.3Å; K127-R131 PolarHBondContact O-N 3.45Å; R131-I133 VanDerWaalsContact C-N 3.31Å; R131-N134 PolarHBondContact O-N 3.19Å; R131-G135 PolarHBondContact O-N 3.28Å; R131-G135 VanDerWaalsContact O-N 3.15Å
132	Q	45.7	Very low	48.4	Very low	151 Å²	151	105.9 Å²	105.9	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-66.7	-33.2	174.7	-78.2	-172	-18.9	0	0	112.5	R128 F130 N134 G135 S136	R128-Q132 WeakPolarHBondContact O-CG 3.45Å; R128-Q132 PolarHBondContact O-N 3.48Å; R128-Q132 VanDerWaalsContact O-N 3.16Å; F130-Q132 VanDerWaalsContact C-N 3.31Å; Q132-N134 VanDerWaalsContact C-N 3.34Å; Q132-N134 PolarHBondContact O-N 2.9Å; Q132-G135 PolarHBondContact O-N 3.32Å; Q132-S136 PolarHBondContact O-N 3.25Å
133	I	45.6	Very low	46.6	Very low	105 Å²	105	109.4 Å²	109.4	54%	0.538	57%	0.573	S	S	.	*	H	α-helix	trans	-66.6	-35.5	176.4	-67.8	163.1	0	0	0	111.7	R129 F130 R131 G135	R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 3.3Å; F130-I133 HydrophobicContact CD1-CD1 3.66Å; F130-I133 HydrophobicContact CE1-CD1 4.04Å; F130-I133 PolarHBondContact O-N 3.35Å; R131-I133 VanDerWaalsContact C-N 3.31Å; I133-G135 VanDerWaalsContact C-N 3.33Å
134	N	42.8	Very low	44.9	Very low	154 Å²	154	112.2 Å²	112.2	82%	0.824	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-4.7	175.1	-74.3	-1.9	0	0	0	113.9	F130 R131 Q132	F130-N134 PolarHBondContact O-N 2.71Å; R131-N134 PolarHBondContact O-N 3.19Å; Q132-N134 VanDerWaalsContact C-N 3.34Å; Q132-N134 PolarHBondContact O-N 2.9Å
135	G	40.6	Very low	43.1	Very low	48 Å²	48	115.6 Å²	115.6	50%	0.495	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.4	-5.8	-171.8	0	0	0	0	0	116	R131 Q132 I133 N137	R131-G135 PolarHBondContact O-N 3.28Å; R131-G135 VanDerWaalsContact O-N 3.15Å; Q132-G135 PolarHBondContact O-N 3.32Å; I133-G135 VanDerWaalsContact C-N 3.33Å; G135-N137 PolarHBondContact O-N 3.14Å; G135-N137 VanDerWaalsContact O-N 3.08Å
136	S	38.3	Very low	41.6	Very low	92 Å²	92	118.6 Å²	118.6	64%	0.643	65%	0.647	S	S	*	*	S	Bend	trans	-86.2	85.2	179.4	63.6	0	0	0	0	112.2	Q132	Q132-S136 PolarHBondContact O-N 3.25Å
137	N	34.8	Very low	40.4	Very low	135 Å²	135	118.7 Å²	118.7	72%	0.722	67%	0.665	S	S	*	*				51.7	79.7	128.9	-59.5	-29.2	0	0	0	117.5	G135 H139	G135-N137 PolarHBondContact O-N 3.14Å; G135-N137 VanDerWaalsContact O-N 3.08Å; N137-H139 PolarHBondContact O-N 2.88Å
138	L	31.6	Very low	38.5	Very low	168 Å²	168	122.4 Å²	122.4	88%	0.88	68%	0.675	S	S	*	*			trans	-72.4	56.1	146.5	-123.4	92	0	0	0	109.8	T140	L138-T140 VanDerWaalsContact C-N 3.3Å
139	H	33.8	Very low	37.1	Very low	156 Å²	156	123.5 Å²	123.5	72%	0.722	69%	0.688	S	S	*	*			trans	-99.9	67.2	158.6	-104.6	-57.3	0	0	0	107.2	N137 S141	N137-H139 PolarHBondContact O-N 2.88Å; H139-S141 PolarHBondContact ND1-OG 3.1Å; H139-S141 PolarHBondContact O-N 3.43Å
140	T	32.2	Very low	35.9	Very low	109 Å²	109	125.4 Å²	125.4	67%	0.669	71%	0.712	S	S	*	*			trans	-69.2	76.3	151	51	0	0	0	0	106.7	L138 N142	L138-T140 VanDerWaalsContact C-N 3.3Å; T140-N142 PolarHBondContact O-N 2.86Å
141	S	30.2	Very low	35.3	Very low	83 Å²	83	127.5 Å²	127.5	58%	0.58	73%	0.733	S	S	*	*			trans	-72.9	87.6	163	-62.5	0	0	0	0	106.2	H139 S143	H139-S141 PolarHBondContact ND1-OG 3.1Å; H139-S141 PolarHBondContact O-N 3.43Å; S141-S143 PolarHBondContact O-N 2.72Å
142	N	29.5	Very low	34.5	Very low	141 Å²	141	124.8 Å²	124.8	75%	0.754	74%	0.739	S	S	*	*			trans	-60.3	96.5	159.8	-81.2	2	0	0	0	106.6	T140 S144	T140-N142 PolarHBondContact O-N 2.86Å; N142-S144 PolarHBondContact O-N 2.81Å
143	S	29.6	Very low	34.3	Very low	120 Å²	120	122.4 Å²	122.4	84%	0.839	74%	0.736	S	S	*	*			trans	-70.7	80.3	164	-72	0	0	0	0	108.5	S141	S141-S143 PolarHBondContact O-N 2.72Å
144	S	31.4	Very low	33.6	Very low	109 Å²	109	124 Å²	124	76%	0.762	75%	0.746	S	S	*	*			trans	-88.7	102.8	161.6	-65.2	0	0	0	0	108.3	N142	N142-S144 PolarHBondContact O-N 2.81Å
145	S	31.5	Very low	33.2	Very low	122 Å²	122	123.1 Å²	123.1	85%	0.853	74%	0.741	S	S	*	*			trans	-33.1	126.6	162.6	160.8	0	0	0	0	114.4
146	S	32.4	Very low	32.8	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	76%	0.755	S	S	*	*			trans	-178.7	137.5	133.2	-162.2	0	0	0	0	112.6
147	G	30.4	Very low	32.4	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	76%	0.762	S	S	*	*			trans	98.6	89.9	157.6	0	0	0	0	0	115.6
148	R	27.3	Very low	32.5	Very low	226 Å²	226	137.3 Å²	137.3	85%	0.853	77%	0.768	S	S	*	*				67.7	112.5	81.5	-79.9	-166	-173.1	-167.1	4.6	116
149	I	29.6	Very low	32.6	Very low	149 Å²	149	135.4 Å²	135.4	76%	0.764	77%	0.768	S	S	*	*			trans	75.5	132.5	141.5	-46.1	153.9	0	0	0	114.5
150	S	30.1	Very low	32.7	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	77%	0.769	S	S	*	*			cis	-171.6	171.2	6.9	37.5	0	0	0	0	108
151	P	41.8	Very low	32.9	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	77%	0.773	S	S	*	*			trans	-103.2	155.8	-160.5	38	-29.3	0	0	0	114.3
152	T	36.1	Very low	33.2	Very low	143 Å²	143	141.2 Å²	141.2	88%	0.877	79%	0.785	S	S	*	*			trans	-160.2	159.4	157.8	29.1	0	0	0	0	112.3
153	P	40.9	Very low	33.4	Very low	100 Å²	100	140.2 Å²	140.2	65%	0.649	78%	0.778	S	S	*	*			trans	-115	-172.1	-134	42.4	-32.9	0	0	0	114.5
154	D	29.8	Very low	33.7	Very low	139 Å²	139	138 Å²	138	74%	0.743	76%	0.761	S	S	*	*			trans	86.2	100.1	160.4	-57.1	-30.3	0	0	0	117.3
155	D	35.4	Very low	34.3	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	76%	0.759	S	S	*	*				-170.7	113.7	106.2	-106.7	-32.8	0	0	0	113.4
156	R	31.5	Very low	34.6	Very low	212 Å²	212	137.3 Å²	137.3	80%	0.8	75%	0.754	S	S	*	*			trans	46	112.9	131.7	-62.7	174.9	-177.7	-171.4	-0.9	120.1
157	N	31.1	Very low	34.7	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	75%	0.746	S	S	*	*			trans	56.4	88.2	135.8	-66.3	-29.9	0	0	0	119.1
158	Y	36.1	Very low	34.9	Very low	214 Å²	214	142.7 Å²	142.7	84%	0.839	75%	0.747	S	S	*	*			trans	-133.2	92.4	135.4	-82.3	-82.2	0	0	0	109.8	R160	Y158-R160 PolarHBondContact O-N 3.15Å
159	S	34.1	Very low	35.5	Very low	127 Å²	127	136.2 Å²	136.2	89%	0.888	74%	0.736	S	S	*	*			trans	-63.4	86	155.2	168.5	0	0	0	0	108
160	R	34.8	Very low	36.1	Very low	196 Å²	196	138.3 Å²	138.3	74%	0.74	74%	0.739	S	S	*	*			trans	-125	93	168	-168	-179.4	-83.8	175	-4.3	107.9	Y158 T162	Y158-R160 PolarHBondContact O-N 3.15Å; R160-T162 PolarHBondContact O-N 3.26Å; R160-T162 VanDerWaalsContact O-N 3.13Å
161	N	38	Very low	36.4	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	74%	0.738	S	S	*	*			trans	33.8	70.2	154.9	-63.1	-13.6	0	0	0	113.9	I163	N161-I163 PolarHBondContact O-N 3.08Å
162	T	35.6	Very low	35.9	Very low	135 Å²	135	140.5 Å²	140.5	83%	0.828	74%	0.737	S	S	*	*			trans	-67.6	92.8	164.6	-41.8	0	0	0	0	106.5	R160 P164	R160-T162 PolarHBondContact O-N 3.26Å; R160-T162 VanDerWaalsContact O-N 3.13Å; T162-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact O-N 3.09Å
163	I	34	Very low	35.7	Very low	119 Å²	119	138.9 Å²	138.9	61%	0.61	72%	0.722	S	S	*	*			trans	-50.9	119.9	169.7	-62.5	171.6	0	0	0	106	N161 M167	N161-I163 PolarHBondContact O-N 3.08Å; I163-M167 HydrophobicContact CG2-CB 4.07Å
164	P	35.7	Very low	35.1	Very low	74 Å²	74	141.5 Å²	141.5	48%	0.481	73%	0.725	S	S	.	*			trans	-57	139.9	-178.1	18.7	-28.9	0	0	0	109.3	T162 S166 M167	T162-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact O-N 3.09Å; P164-S166 PolarHBondContact O-N 3.47Å; P164-M167 PolarHBondContact O-N 2.51Å
165	P	44.8	Very low	34.9	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-61.3	-8.2	-172.1	21.4	-31.1	0	0	0	114.3
166	S	38.1	Very low	34.8	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-77	-17.1	173.1	64.9	0	0	0	0	114.6	P164	P164-S166 PolarHBondContact O-N 3.47Å
167	M	33.5	Very low	34.7	Very low	143 Å²	143	142 Å²	142	70%	0.704	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-104.6	11.4	178.9	-63.5	-138.7	85.1	0	0	114	I163 P164 S169	I163-M167 HydrophobicContact CG2-CB 4.07Å; P164-M167 PolarHBondContact O-N 2.51Å; M167-S169 PolarHBondContact O-N 3.38Å
168	K	35	Very low	34.7	Very low	159 Å²	159	144.9 Å²	144.9	69%	0.691	73%	0.726	S	S	*	*			trans	-66.4	87.3	154.9	-71.3	179.7	-178.7	177.5	0	105.8	K170	K168-K170 PolarHBondContact O-N 2.89Å
169	S	39.9	Very low	34.5	Very low	90 Å²	90	141.2 Å²	141.2	63%	0.629	72%	0.721	S	S	*	*			trans	-43.4	117.5	157.2	57.5	0	0	0	0	104.3	M167 N171	M167-S169 PolarHBondContact O-N 3.38Å; S169-N171 VanDerWaalsContact C-N 3.32Å; S169-N171 WeakPolarHBondContact O-CA 3.48Å; S169-N171 PolarHBondContact O-N 2.81Å
170	K	41.2	Very low	34.4	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.835	72%	0.717	S	S	*	*			trans	-41.2	111.6	172.9	-75.4	171.5	179.3	172	0	103.9	K168 N172	K168-K170 PolarHBondContact O-N 2.89Å; K170-N172 PolarHBondContact O-N 2.83Å
171	N	37.9	Very low	34.2	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	71%	0.709	S	S	*	*			trans	-41	115	-172.4	-67.9	-31.5	0	0	0	104.7	S169 L173	S169-N171 VanDerWaalsContact C-N 3.32Å; S169-N171 WeakPolarHBondContact O-CA 3.48Å; S169-N171 PolarHBondContact O-N 2.81Å; N171-L173 HydrophobicContact CB-CB 4.28Å; N171-L173 PolarHBondContact O-N 3.11Å
172	N	30.8	Very low	34.2	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	72%	0.717	S	S	*	*			trans	-65.9	60.1	155.4	-76	-32.3	0	0	0	104.8	K170 H174	K170-N172 PolarHBondContact O-N 2.83Å; N172-H174 PolarHBondContact O-CD2 2.85Å; N172-H174 VanDerWaalsContact O-CD2 3.25Å; N172-H174 PolarHBondContact O-N 2.9Å
173	L	30.6	Very low	34.5	Very low	109 Å²	109	138.1 Å²	138.1	57%	0.571	70%	0.697	S	S	*	*			trans	-56.9	85.7	141.4	-150.2	75.7	0	0	0	100.5	N171 Y175	N171-L173 HydrophobicContact CB-CB 4.28Å; N171-L173 PolarHBondContact O-N 3.11Å; L173-Y175 HydrophobicContact CB-CD2 4.33Å; L173-Y175 HydrophobicContact CB-CE2 4.49Å; L173-Y175 HydrophobicContact CD2-CD2 4.05Å; L173-Y175 HydrophobicContact CD2-CE2 3.69Å; L173-Y175 HydrophobicContact CG-CD2 4.42Å; L173-Y175 HydrophobicContact CG-CE2 4.49Å; L173-Y175 PolarHBondContact O-N 3.4Å
174	H	28.3	Very low	35	Very low	155 Å²	155	141.7 Å²	141.7	72%	0.718	71%	0.708	S	S	*	*			trans	-45.9	88.6	141.5	-64.8	-88.3	0	0	0	102.8	N172 V176	N172-H174 PolarHBondContact O-CD2 2.85Å; N172-H174 VanDerWaalsContact O-CD2 3.25Å; N172-H174 PolarHBondContact O-N 2.9Å; H174-V176 PolarHBondContact O-N 3.36Å
175	Y	27.6	Very low	35.5	Very low	184 Å²	184	147.2 Å²	147.2	72%	0.722	72%	0.719	S	S	*	*			trans	-54.5	91.2	151.2	-87.8	-92.3	0	0	0	100.4	L173 K177	L173-Y175 HydrophobicContact CB-CD2 4.33Å; L173-Y175 HydrophobicContact CB-CE2 4.49Å; L173-Y175 HydrophobicContact CD2-CD2 4.05Å; L173-Y175 HydrophobicContact CD2-CE2 3.69Å; L173-Y175 HydrophobicContact CG-CD2 4.42Å; L173-Y175 HydrophobicContact CG-CE2 4.49Å; L173-Y175 PolarHBondContact O-N 3.4Å; Y175-K177 WeakPolarHBondContact O-CA 3.42Å; Y175-K177 PolarHBondContact O-N 3.05Å
176	V	31.7	Very low	35.7	Very low	123 Å²	123	146.1 Å²	146.1	75%	0.745	70%	0.703	S	S	*	*			trans	-45.4	101	154.3	174.2	0	0	0	0	100.4	H174 R178	H174-V176 PolarHBondContact O-N 3.36Å; V176-R178 PolarHBondContact O-N 3.43Å
177	K	30	Very low	36.2	Very low	188 Å²	188	143.4 Å²	143.4	82%	0.817	68%	0.684	S	S	*	*			trans	-61.6	95.2	-173.4	-157.8	177.6	-171	-178.9	0	99.8	Y175 L179	Y175-K177 WeakPolarHBondContact O-CA 3.42Å; Y175-K177 PolarHBondContact O-N 3.05Å; K177-L179 VanDerWaalsContact C-N 3.3Å; K177-L179 PolarHBondContact O-N 2.76Å
178	R	32	Very low	36.9	Very low	209 Å²	209	140.5 Å²	140.5	79%	0.789	68%	0.676	S	S	*	*			trans	-50.2	112.1	-177.1	-105.5	-176.2	-86.2	-178.1	-6.2	101	V176 T180	V176-R178 PolarHBondContact O-N 3.43Å; R178-T180 PolarHBondContact O-N 2.93Å
179	L	31.1	Very low	37.7	Very low	138 Å²	138	139 Å²	139	72%	0.723	67%	0.673	S	S	*	*			trans	-59.2	89.5	174.6	-90.4	145.2	0	0	0	103.2	K177 H181	K177-L179 VanDerWaalsContact C-N 3.3Å; K177-L179 PolarHBondContact O-N 2.76Å; L179-H181 HydrophobicContact CD2-CB 4.5Å; L179-H181 PolarHBondContact O-N 2.85Å
180	T	30.9	Very low	38.4	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	67%	0.666	S	S	*	*			trans	-74.7	37.6	164.9	53.5	0	0	0	0	107.1	R178 K182	R178-T180 PolarHBondContact O-N 2.93Å; T180-K182 PolarHBondContact O-N 2.91Å
181	H	32.3	Very low	39.1	Very low	124 Å²	124	131.5 Å²	131.5	57%	0.574	63%	0.632	S	S	*	*			trans	-72.3	126.4	157.6	-115	-96.2	0	0	0	104	L179 V183	L179-H181 HydrophobicContact CD2-CB 4.5Å; L179-H181 PolarHBondContact O-N 2.85Å; H181-V183 HydrophobicContact CB-CB 4.25Å; H181-V183 HydrophobicContact CB-CG2 3.67Å; H181-V183 PolarHBondContact O-N 2.94Å
182	K	37.3	Very low	39.7	Very low	209 Å²	209	128.4 Å²	128.4	91%	0.909	62%	0.62	S	S	*	*			trans	-63	31.3	165.2	-62.1	-175	177.3	-179.3	0	111.5	T180 K184	T180-K182 PolarHBondContact O-N 2.91Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 2.64Å
183	V	42.8	Very low	41.2	Very low	67 Å²	67	128 Å²	128	41%	0.406	61%	0.612	S	S	.	*			trans	-64	99.8	165.7	171.5	0	0	0	0	103.7	H181 W185	H181-V183 HydrophobicContact CB-CB 4.25Å; H181-V183 HydrophobicContact CB-CG2 3.67Å; H181-V183 PolarHBondContact O-N 2.94Å; V183-W185 VanDerWaalsContact C-N 3.28Å; V183-W185 PolarHBondContact O-N 3.48Å
184	K	44.4	Very low	42.5	Very low	193 Å²	193	124.1 Å²	124.1	84%	0.839	59%	0.594	S	S	*	*			trans	-50.2	105.9	164.7	-76.7	179.1	178.1	177.7	0	105	K182 K186	K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 2.64Å; K184-K186 PolarHBondContact O-N 2.92Å
185	W	44.8	Very low	43.9	Very low	190 Å²	190	118.8 Å²	118.8	72%	0.72	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-52.1	121.7	172.9	-71.7	95.3	0	0	0	106.2	V183 S187	V183-W185 VanDerWaalsContact C-N 3.28Å; V183-W185 PolarHBondContact O-N 3.48Å; W185-S187 PolarHBondContact O-N 2.82Å
186	K	49.2	Very low	45.6	Very low	89 Å²	89	114.2 Å²	114.2	39%	0.387	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-49.2	129.4	174.7	-74.5	177.3	-177.7	169.4	0	107.3	K184 E190 I191	K184-K186 PolarHBondContact O-N 2.92Å; K186-E190 VanDerWaalsContact CA-OE2 3.24Å; K186-E190 WeakPolarHBondContact CA-OE2 3.39Å; K186-E190 HydrophobicContact CB-CB 3.84Å; K186-E190 HydrophobicContact CG-CB 4.33Å; K186-I191 HydrophobicContact CB-CD1 4.48Å; K186-I191 HydrophobicContact CB-CG1 3.74Å; K186-I191 VanDerWaalsContact O-CD1 3.3Å; K186-I191 WeakPolarHBondContact O-CD1 3.23Å
187	S	49.5	Very low	47.4	Very low	49 Å²	49	116.2 Å²	116.2	34%	0.343	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-55	154.8	177	64.4	0	0	0	0	109.6	W185 M189 E190 I191	W185-S187 PolarHBondContact O-N 2.82Å; S187-M189 PolarHBondContact O-N 3.04Å; S187-E190 PolarHBondContact N-OE2 2.73Å; S187-E190 WeakPolarHBondContact O-CA 3.39Å; S187-E190 PolarHBondContact O-N 3.02Å; S187-E190 VanDerWaalsContact OG-CG 3.3Å; S187-E190 WeakPolarHBondContact OG-CG 3.4Å; S187-E190 PolarHBondContact OG-N 2.91Å; S187-E190 PolarHBondContact OG-OE2 2.81Å; S187-I191 PolarHBondContact O-N 2.88Å
188	P	48.2	Very low	49.1	Very low	82 Å²	82	111.1 Å²	111.1	53%	0.532	53%	0.533	S	S	.	.	H	α-helix	trans	-50.2	-34.3	175.3	-28.3	35.6	0	0	0	112.8	F130 S192	F130-P188 HydrophobicContact CE1-CB 4.23Å; F130-P188 HydrophobicContact CE1-CG 3.99Å; F130-P188 HydrophobicContact CZ-CB 4.08Å; F130-P188 HydrophobicContact CZ-CG 4.28Å; P188-S192 WeakPolarHBondContact O-CB 3.35Å; P188-S192 PolarHBondContact O-N 3.19Å
189	M	52	Low	50.8	Low	127 Å²	127	105 Å²	105	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-65.9	-43.5	174.7	-164.5	66.7	176.2	0	0	112.8	S187 S192 K193	S187-M189 PolarHBondContact O-N 3.04Å; M189-S192 PolarHBondContact O-N 3.42Å; M189-K193 WeakPolarHBondContact O-CG 3.48Å; M189-K193 PolarHBondContact O-N 3.41Å
190	E	53.7	Low	52.7	Low	102 Å²	102	103.2 Å²	103.2	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-68.8	-36.9	176.5	-74	168.2	157.8	0	0	112.3	K186 S187 K193 S194	K186-E190 VanDerWaalsContact CA-OE2 3.24Å; K186-E190 WeakPolarHBondContact CA-OE2 3.39Å; K186-E190 HydrophobicContact CB-CB 3.84Å; K186-E190 HydrophobicContact CG-CB 4.33Å; S187-E190 PolarHBondContact N-OE2 2.73Å; S187-E190 WeakPolarHBondContact O-CA 3.39Å; S187-E190 PolarHBondContact O-N 3.02Å; S187-E190 VanDerWaalsContact OG-CG 3.3Å; S187-E190 WeakPolarHBondContact OG-CG 3.4Å; S187-E190 PolarHBondContact OG-N 2.91Å; S187-E190 PolarHBondContact OG-OE2 2.81Å; E190-K193 PolarHBondContact O-N 2.93Å; E190-S194 PolarHBondContact O-N 3.33Å; E190-S194 PolarHBondContact O-OG 2.64Å
191	I	55.8	Low	54.7	Low	23 Å²	23	103.5 Å²	103.5	12%	0.118	49%	0.489	C	S	.	.	H	α-helix	trans	-62.8	-48.4	173.4	-65.1	169.6	0	0	0	109.5	K186 S187 K193 S194 K195	K186-I191 HydrophobicContact CB-CD1 4.48Å; K186-I191 HydrophobicContact CB-CG1 3.74Å; K186-I191 VanDerWaalsContact O-CD1 3.3Å; K186-I191 WeakPolarHBondContact O-CD1 3.23Å; S187-I191 PolarHBondContact O-N 2.88Å; I191-K193 VanDerWaalsContact C-N 3.34Å; I191-K193 PolarHBondContact O-N 2.93Å; I191-S194 WeakPolarHBondContact CA-OG 3.34Å; I191-S194 PolarHBondContact O-N 3.2Å; I191-S194 VanDerWaalsContact O-N 3.14Å; I191-S194 PolarHBondContact O-OG 2.92Å; I191-K195 HydrophobicContact CG2-CD 4.21Å; I191-K195 HydrophobicContact CG2-CG 4.47Å; I191-K195 WeakPolarHBondContact O-CG 3.24Å; I191-K195 PolarHBondContact O-N 3.3Å
192	S	51.9	Low	56.3	Low	67 Å²	67	100.1 Å²	100.1	47%	0.469	48%	0.475	S	S	.	.	H	α-helix	trans	-57.1	-46.1	176.2	-177.7	0	0	0	0	111.5	P188 M189 S194 K195 Q196	P188-S192 WeakPolarHBondContact O-CB 3.35Å; P188-S192 PolarHBondContact O-N 3.19Å; M189-S192 PolarHBondContact O-N 3.42Å; S192-S194 PolarHBondContact O-N 2.69Å; S192-K195 PolarHBondContact O-N 3.01Å; S192-Q196 WeakPolarHBondContact O-CB 3.25Å; S192-Q196 PolarHBondContact O-N 2.61Å
193	K	60.7	Low	57.8	Low	127 Å²	127	96.4 Å²	96.4	55%	0.552	46%	0.458	S	S	*	.	H	α-helix	trans	-60.8	-40.7	174	-74.5	179.5	179.5	-174.8	0	113.4	M189 E190 I191 R197	M189-K193 WeakPolarHBondContact O-CG 3.48Å; M189-K193 PolarHBondContact O-N 3.41Å; E190-K193 PolarHBondContact O-N 2.93Å; I191-K193 VanDerWaalsContact C-N 3.34Å; I191-K193 PolarHBondContact O-N 2.93Å; K193-R197 PolarHBondContact O-N 3.44Å; K193-R197 VanDerWaalsContact O-N 3.1Å
194	S	58.3	Low	59.2	Low	27 Å²	27	98.9 Å²	98.9	19%	0.189	47%	0.466	C	S	.	.	H	α-helix	trans	-66.4	-39.7	175.9	57.1	0	0	0	0	112.4	E190 I191 S192 R197 V198	E190-S194 PolarHBondContact O-N 3.33Å; E190-S194 PolarHBondContact O-OG 2.64Å; I191-S194 WeakPolarHBondContact CA-OG 3.34Å; I191-S194 PolarHBondContact O-N 3.2Å; I191-S194 VanDerWaalsContact O-N 3.14Å; I191-S194 PolarHBondContact O-OG 2.92Å; S192-S194 PolarHBondContact O-N 2.69Å; S194-R197 WeakPolarHBondContact O-CB 3.46Å; S194-R197 PolarHBondContact O-N 2.7Å; S194-V198 WeakPolarHBondContact O-CG2 3.3Å; S194-V198 PolarHBondContact O-N 3.48Å
195	K	58.1	Low	59.9	Low	43 Å²	43	92.9 Å²	92.9	19%	0.187	44%	0.44	C	S	.	.	H	α-helix	trans	-66.5	-43.7	176.5	-72.5	179.3	177.1	-173.5	0	111.7	V122 E126 I191 S192 R197 V198 I199	V122-K195 HydrophobicContact CG1-CD 3.98Å; E126-K195 VanDerWaalsContact CD-NZ 3.32Å; E126-K195 VanDerWaalsContact CG-NZ 3.33Å; E126-K195 IonicContact OE1-NZ 2.64Å; E126-K195 PolarHBondContact OE1-NZ 3.47Å; I191-K195 HydrophobicContact CG2-CD 4.21Å; I191-K195 HydrophobicContact CG2-CG 4.47Å; I191-K195 WeakPolarHBondContact O-CG 3.24Å; I191-K195 PolarHBondContact O-N 3.3Å; S192-K195 PolarHBondContact O-N 3.01Å; K195-R197 PolarHBondContact O-N 3.36Å; K195-V198 PolarHBondContact O-N 3.05Å; K195-V198 VanDerWaalsContact O-N 3.08Å; K195-I199 WeakPolarHBondContact O-CG1 3.46Å; K195-I199 PolarHBondContact O-N 3.26Å
196	Q	64.1	Low	60.7	Low	89 Å²	89	87.9 Å²	87.9	42%	0.416	43%	0.425	S	S	.	.	H	α-helix	trans	-57.1	-41.8	175.2	-175.8	59.4	28.3	0	0	111	S192 I199 E200	S192-Q196 WeakPolarHBondContact O-CB 3.25Å; S192-Q196 PolarHBondContact O-N 2.61Å; Q196-I199 PolarHBondContact O-N 2.91Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.49Å; Q196-E200 PolarHBondContact NE2-OE1 2.81Å; Q196-E200 WeakPolarHBondContact O-CB 3.31Å; Q196-E200 WeakPolarHBondContact O-CG 3.3Å; Q196-E200 PolarHBondContact O-N 2.68Å
197	R	68.6	Low	61.6	Low	164 Å²	164	86.8 Å²	86.8	62%	0.619	43%	0.429	S	S	*	.	H	α-helix	trans	-61.5	-42.5	172.9	-79.9	-173.4	-71.7	162.3	-4.3	113.4	K193 S194 K195 E200 W201	K193-R197 PolarHBondContact O-N 3.44Å; K193-R197 VanDerWaalsContact O-N 3.1Å; S194-R197 WeakPolarHBondContact O-CB 3.46Å; S194-R197 PolarHBondContact O-N 2.7Å; K195-R197 PolarHBondContact O-N 3.36Å; R197-E200 PolarHBondContact O-N 2.76Å; R197-W201 VanDerWaalsContact O-CB 3.32Å; R197-W201 WeakPolarHBondContact O-CB 3.24Å; R197-W201 PolarHBondContact O-N 3.25Å
198	V	65.7	Low	62.3	Low	82 Å²	82	89.6 Å²	89.6	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-64.3	-41.6	176.5	174.5	0	0	0	0	111	S194 K195 W201 L202	S194-V198 WeakPolarHBondContact O-CG2 3.3Å; S194-V198 PolarHBondContact O-N 3.48Å; K195-V198 PolarHBondContact O-N 3.05Å; K195-V198 VanDerWaalsContact O-N 3.08Å; V198-W201 PolarHBondContact O-N 2.79Å; V198-L202 HydrophobicContact CG1-CD1 4.19Å; V198-L202 WeakPolarHBondContact O-CG 3.3Å; V198-L202 PolarHBondContact O-N 3.16Å
199	I	67.1	Low	62.5	Low	79 Å²	79	89.5 Å²	89.5	41%	0.405	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-44.7	176.3	-67.2	167.6	0	0	0	110.9	K195 Q196 W201 L202 K203	K195-I199 WeakPolarHBondContact O-CG1 3.46Å; K195-I199 PolarHBondContact O-N 3.26Å; Q196-I199 PolarHBondContact O-N 2.91Å; I199-W201 VanDerWaalsContact C-N 3.33Å; I199-L202 PolarHBondContact O-N 2.9Å; I199-K203 HydrophobicContact CG2-CD 4.32Å; I199-K203 WeakPolarHBondContact O-CB 3.35Å; I199-K203 WeakPolarHBondContact O-CG 3.43Å; I199-K203 PolarHBondContact O-N 2.99Å
200	E	70.6	Confident	63	Low	102 Å²	102	85.9 Å²	85.9	48%	0.477	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.2	-77	170.4	-170.4	0	0	111.8	Q196 R197 K203 H204	Q196-E200 WeakPolarHBondContact CG-OE1 3.49Å; Q196-E200 PolarHBondContact NE2-OE1 2.81Å; Q196-E200 WeakPolarHBondContact O-CB 3.31Å; Q196-E200 WeakPolarHBondContact O-CG 3.3Å; Q196-E200 PolarHBondContact O-N 2.68Å; R197-E200 PolarHBondContact O-N 2.76Å; E200-K203 PolarHBondContact O-N 2.8Å; E200-H204 WeakPolarHBondContact O-CB 3.43Å; E200-H204 PolarHBondContact O-N 3.18Å
201	W	74	Confident	63.5	Low	139 Å²	139	87.1 Å²	87.1	53%	0.527	42%	0.419	S	S	.	.	H	α-helix	trans	-62.3	-47.1	174.4	-179.1	80.4	0	0	0	111.4	R197 V198 I199 K203 H204 Q205	R197-W201 VanDerWaalsContact O-CB 3.32Å; R197-W201 WeakPolarHBondContact O-CB 3.24Å; R197-W201 PolarHBondContact O-N 3.25Å; V198-W201 PolarHBondContact O-N 2.79Å; I199-W201 VanDerWaalsContact C-N 3.33Å; W201-K203 PolarHBondContact O-N 2.66Å; W201-H204 WeakPolarHBondContact O-CB 3.35Å; W201-H204 PolarHBondContact O-N 3.36Å; W201-H204 VanDerWaalsContact O-N 3.15Å; W201-Q205 HydrophobicContact CD2-CG 4.15Å; W201-Q205 HydrophobicContact CE3-CG 4.41Å; W201-Q205 HydrophobicContact CH2-CG 4.26Å; W201-Q205 HydrophobicContact CZ2-CG 3.98Å; W201-Q205 HydrophobicContact CZ3-CG 4.47Å; W201-Q205 WeakPolarHBondContact O-CG 3.47Å; W201-Q205 PolarHBondContact O-N 3.34Å
202	L	66.6	Low	63.4	Low	53 Å²	53	92.4 Å²	92.4	28%	0.277	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-42	176.2	-72.5	171.5	0	0	0	112.4	L115 L118 V198 I199 H204 Q205 E206	L115-L202 HydrophobicContact CD2-CD1 3.92Å; L118-L202 HydrophobicContact CD2-CD1 4.3Å; V198-L202 HydrophobicContact CG1-CD1 4.19Å; V198-L202 WeakPolarHBondContact O-CG 3.3Å; V198-L202 PolarHBondContact O-N 3.16Å; I199-L202 PolarHBondContact O-N 2.9Å; L202-H204 VanDerWaalsContact C-N 3.32Å; L202-H204 PolarHBondContact O-N 2.85Å; L202-Q205 PolarHBondContact O-N 3.35Å; L202-E206 PolarHBondContact O-N 3.38Å
203	K	68.8	Low	63.3	Low	130 Å²	130	94.1 Å²	94.1	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-63.7	-38.1	174.2	-76.4	-179.2	177.2	-175.9	0	112.2	I199 E200 W201 E206 S207	I199-K203 HydrophobicContact CG2-CD 4.32Å; I199-K203 WeakPolarHBondContact O-CB 3.35Å; I199-K203 WeakPolarHBondContact O-CG 3.43Å; I199-K203 PolarHBondContact O-N 2.99Å; E200-K203 PolarHBondContact O-N 2.8Å; W201-K203 PolarHBondContact O-N 2.66Å; K203-E206 PolarHBondContact O-N 3.33Å; K203-S207 WeakPolarHBondContact O-CB 3.48Å; K203-S207 PolarHBondContact O-N 2.92Å
204	H	71.1	Confident	62.6	Low	120 Å²	120	98.9 Å²	98.9	56%	0.556	47%	0.471	S	S	*	.	H	α-helix	trans	-65.4	-43.2	175.5	-176.6	72.7	0	0	0	110.9	E200 W201 L202 S207 Y208	E200-H204 WeakPolarHBondContact O-CB 3.43Å; E200-H204 PolarHBondContact O-N 3.18Å; W201-H204 WeakPolarHBondContact O-CB 3.35Å; W201-H204 PolarHBondContact O-N 3.36Å; W201-H204 VanDerWaalsContact O-N 3.15Å; L202-H204 VanDerWaalsContact C-N 3.32Å; L202-H204 PolarHBondContact O-N 2.85Å; H204-S207 PolarHBondContact O-N 3.15Å; H204-Y208 VanDerWaalsContact O-CB 3.3Å; H204-Y208 WeakPolarHBondContact O-CB 3.39Å; H204-Y208 PolarHBondContact O-N 3.34Å
205	Q	60.2	Low	62.8	Low	67 Å²	67	102.5 Å²	102.5	31%	0.313	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-46.1	173.2	-65	-54.3	-43.3	0	0	111.5	W201 L202 S207 Y208 M209	W201-Q205 HydrophobicContact CD2-CG 4.15Å; W201-Q205 HydrophobicContact CE3-CG 4.41Å; W201-Q205 HydrophobicContact CH2-CG 4.26Å; W201-Q205 HydrophobicContact CZ2-CG 3.98Å; W201-Q205 HydrophobicContact CZ3-CG 4.47Å; W201-Q205 WeakPolarHBondContact O-CG 3.47Å; W201-Q205 PolarHBondContact O-N 3.34Å; L202-Q205 PolarHBondContact O-N 3.35Å; Q205-S207 VanDerWaalsContact C-N 3.34Å; Q205-S207 PolarHBondContact O-N 3.48Å; Q205-Y208 PolarHBondContact O-N 3.37Å; Q205-M209 VanDerWaalsContact O-CB 3.31Å; Q205-M209 WeakPolarHBondContact O-CB 3.39Å; Q205-M209 WeakPolarHBondContact O-CG 3.26Å; Q205-M209 PolarHBondContact O-N 2.87Å
206	E	61.4	Low	63.1	Low	84 Å²	84	105.6 Å²	105.6	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-59.4	-43.7	175.7	-175.7	-178.9	-165.8	0	0	111.9	L202 K203 M209 S210	L202-E206 PolarHBondContact O-N 3.38Å; K203-E206 PolarHBondContact O-N 3.33Å; E206-M209 PolarHBondContact O-N 2.87Å; E206-S210 WeakPolarHBondContact O-CB 3.1Å; E206-S210 PolarHBondContact O-N 3.08Å; E206-S210 PolarHBondContact O-OG 2.94Å
207	S	67.3	Low	63	Low	67 Å²	67	106.6 Å²	106.6	47%	0.469	51%	0.506	S	S	.	.	H	α-helix	trans	-67.3	-40	177.6	-177	0	0	0	0	112.7	K203 H204 Q205 S210	K203-S207 WeakPolarHBondContact O-CB 3.48Å; K203-S207 PolarHBondContact O-N 2.92Å; H204-S207 PolarHBondContact O-N 3.15Å; Q205-S207 VanDerWaalsContact C-N 3.34Å; Q205-S207 PolarHBondContact O-N 3.48Å; S207-S210 PolarHBondContact O-N 2.9Å
208	Y	63.3	Low	62.7	Low	107 Å²	107	103.2 Å²	103.2	42%	0.42	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-46.3	176.5	179.9	-111.3	0	0	0	110	H204 Q205 S210 Q211 F212	H204-Y208 VanDerWaalsContact O-CB 3.3Å; H204-Y208 WeakPolarHBondContact O-CB 3.39Å; H204-Y208 PolarHBondContact O-N 3.34Å; Q205-Y208 PolarHBondContact O-N 3.37Å; Y208-S210 VanDerWaalsContact C-N 3.31Å; Y208-S210 PolarHBondContact O-N 3.13Å; Y208-Q211 WeakPolarHBondContact O-CB 3.39Å; Y208-Q211 PolarHBondContact O-N 2.97Å; Y208-Q211 VanDerWaalsContact O-N 3.14Å; Y208-F212 AromaticContact CD1-CE2 3.89Å; Y208-F212 HydrophobicContact CD1-CE2 3.89Å; Y208-F212 HydrophobicContact CD2-CE2 4.21Å; Y208-F212 AromaticContact CE1-CE2 3.53Å; Y208-F212 HydrophobicContact CE1-CE2 3.53Å; Y208-F212 AromaticContact CE1-CZ 3.96Å; Y208-F212 HydrophobicContact CE1-CZ 3.96Å; Y208-F212 AromaticContact CE2-CE2 3.89Å; Y208-F212 HydrophobicContact CE2-CE2 3.89Å; Y208-F212 HydrophobicContact CE2-CZ 4.08Å; Y208-F212 HydrophobicContact CG-CE2 4.2Å; Y208-F212 AromaticContact CZ-CE2 3.53Å; Y208-F212 AromaticContact CZ-CZ 3.6Å; Y208-F212 WeakPolarHBondContact O-CD2 3.17Å; Y208-F212 WeakPolarHBondContact O-CE2 3.39Å
209	M	53.3	Low	62.5	Low	81 Å²	81	104.5 Å²	104.5	40%	0.399	50%	0.499	S	S	.	.	H	α-helix	trans	-63.7	-34.3	176.3	-66.9	-69.1	87.7	0	0	113	Q205 E206 Q211 F212	Q205-M209 VanDerWaalsContact O-CB 3.31Å; Q205-M209 WeakPolarHBondContact O-CB 3.39Å; Q205-M209 WeakPolarHBondContact O-CG 3.26Å; Q205-M209 PolarHBondContact O-N 2.87Å; E206-M209 PolarHBondContact O-N 2.87Å; M209-Q211 PolarHBondContact O-N 2.91Å; M209-F212 HydrophobicContact CE-CD2 3.63Å; M209-F212 HydrophobicContact CE-CE2 3.61Å; M209-F212 PolarHBondContact O-N 3.41Å; M209-F212 VanDerWaalsContact O-N 3.17Å
210	S	63	Low	62.2	Low	51 Å²	51	106.2 Å²	106.2	36%	0.357	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-22.3	176	-61.5	0	0	0	0	113.4	E206 S207 Y208 F212 I213	E206-S210 WeakPolarHBondContact O-CB 3.1Å; E206-S210 PolarHBondContact O-N 3.08Å; E206-S210 PolarHBondContact O-OG 2.94Å; S207-S210 PolarHBondContact O-N 2.9Å; Y208-S210 VanDerWaalsContact C-N 3.31Å; Y208-S210 PolarHBondContact O-N 3.13Å; S210-F212 VanDerWaalsContact C-N 3.31Å; S210-I213 PolarHBondContact O-N 2.91Å
211	Q	63.8	Low	61.6	Low	128 Å²	128	106.5 Å²	106.5	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-72.8	-24.6	176.2	-65.5	175.9	25.4	0	0	112.7	Y208 M209 I213	Y208-Q211 WeakPolarHBondContact O-CB 3.39Å; Y208-Q211 PolarHBondContact O-N 2.97Å; Y208-Q211 VanDerWaalsContact O-N 3.14Å; M209-Q211 PolarHBondContact O-N 2.91Å; Q211-I213 VanDerWaalsContact C-N 3.28Å; Q211-I213 PolarHBondContact O-N 2.95Å
212	F	53.4	Low	60.6	Low	133 Å²	133	104 Å²	104	58%	0.583	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.1	179	-64.2	-85.4	0	0	0	113.3	Y208 M209 S210	Y208-F212 AromaticContact CD1-CE2 3.89Å; Y208-F212 HydrophobicContact CD1-CE2 3.89Å; Y208-F212 HydrophobicContact CD2-CE2 4.21Å; Y208-F212 AromaticContact CE1-CE2 3.53Å; Y208-F212 HydrophobicContact CE1-CE2 3.53Å; Y208-F212 AromaticContact CE1-CZ 3.96Å; Y208-F212 HydrophobicContact CE1-CZ 3.96Å; Y208-F212 AromaticContact CE2-CE2 3.89Å; Y208-F212 HydrophobicContact CE2-CE2 3.89Å; Y208-F212 HydrophobicContact CE2-CZ 4.08Å; Y208-F212 HydrophobicContact CG-CE2 4.2Å; Y208-F212 AromaticContact CZ-CE2 3.53Å; Y208-F212 AromaticContact CZ-CZ 3.6Å; Y208-F212 WeakPolarHBondContact O-CD2 3.17Å; Y208-F212 WeakPolarHBondContact O-CE2 3.39Å; M209-F212 HydrophobicContact CE-CD2 3.63Å; M209-F212 HydrophobicContact CE-CE2 3.61Å; M209-F212 PolarHBondContact O-N 3.41Å; M209-F212 VanDerWaalsContact O-N 3.17Å; S210-F212 VanDerWaalsContact C-N 3.31Å
213	I	49.7	Very low	60.1	Low	103 Å²	103	108.3 Å²	108.3	53%	0.528	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-3.7	-175.6	-67.2	167.6	0	0	0	111.6	F108 S210 Q211	F108-I213 HydrophobicContact CE1-CD1 4.35Å; F108-I213 HydrophobicContact CE2-CD1 3.69Å; F108-I213 HydrophobicContact CE2-CG2 4.38Å; F108-I213 HydrophobicContact CZ-CD1 3.29Å; F108-I213 HydrophobicContact CZ-CG2 4.41Å; S210-I213 PolarHBondContact O-N 2.91Å; Q211-I213 VanDerWaalsContact C-N 3.28Å; Q211-I213 PolarHBondContact O-N 2.95Å
214	M	46.3	Very low	59.3	Low	228 Å²	228	106.3 Å²	106.3	100%	1.123	52%	0.522	S	S	*	.			trans	-100.4	0	173.6	-163.4	-176.8	-52.3	0	0	110.9

Retrieved 214 of 214 residues in 120.4 ms (Link to these results)

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