A0A3Q0KPF6_SCHMA Loading...

Putative zinc finger protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 256 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	35.4	Very low	34.4	Very low	232 Å²	232	165.5 Å²	165.5	100%	1.143	83%	0.828	S	S	*	*				0	122.5	0	-74.5	177.8	179.3	0	0	107.3	V3	M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.07Å
2	N	33.1	Very low	34	Very low	162 Å²	162	163.4 Å²	163.4	87%	0.866	82%	0.822	S	S	*	*			trans	-67.8	101	176.2	-75.2	-16.7	0	0	0	108.5	L4	N2-L4 VanDerWaalsContact C-N 3.34Å; N2-L4 PolarHBondContact O-N 3.19Å; N2-L4 VanDerWaalsContact O-N 3.17Å
3	V	36	Very low	33.9	Very low	109 Å²	109	164.6 Å²	164.6	66%	0.661	82%	0.823	S	S	*	*			trans	-82.4	92.5	167	-173	0	0	0	0	106.4	M1 M5	M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.07Å; V3-M5 HydrophobicContact CG1-CE 3.81Å; V3-M5 HydrophobicContact CG1-CG 3.88Å; V3-M5 PolarHBondContact O-N 3.4Å
4	L	34.6	Very low	33.5	Very low	159 Å²	159	162.5 Å²	162.5	83%	0.832	82%	0.823	S	S	*	*			trans	-62.6	110.6	162.3	-67.6	167.4	0	0	0	106.6	N2	N2-L4 VanDerWaalsContact C-N 3.34Å; N2-L4 PolarHBondContact O-N 3.19Å; N2-L4 VanDerWaalsContact O-N 3.17Å
5	M	38.4	Very low	33.6	Very low	160 Å²	160	159.2 Å²	159.2	79%	0.788	82%	0.821	S	S	*	*			trans	-102	114.8	163.7	-67.1	-158.4	174.9	0	0	107.5	V3 N7	V3-M5 HydrophobicContact CG1-CE 3.81Å; V3-M5 HydrophobicContact CG1-CG 3.88Å; V3-M5 PolarHBondContact O-N 3.4Å; M5-N7 PolarHBondContact O-N 3.29Å
6	D	36	Very low	33.9	Very low	148 Å²	148	158.6 Å²	158.6	79%	0.791	82%	0.82	S	S	*	*			trans	-57.1	118.9	-178.9	-84.1	-48.5	0	0	0	111.4	T8	D6-T8 VanDerWaalsContact C-N 3.32Å; D6-T8 PolarHBondContact O-N 3.03Å
7	N	33.5	Very low	34.2	Very low	166 Å²	166	153.2 Å²	153.2	89%	0.888	80%	0.798	S	S	*	*			trans	-89.9	51.3	-171.6	-119.1	-3	0	0	0	111.7	M5	M5-N7 PolarHBondContact O-N 3.29Å
8	T	35.9	Very low	34.9	Very low	118 Å²	118	146.6 Å²	146.6	72%	0.724	77%	0.774	S	S	*	*			trans	-123.4	12.9	-166.9	53.2	0	0	0	0	117.1	D6	D6-T8 VanDerWaalsContact C-N 3.32Å; D6-T8 PolarHBondContact O-N 3.03Å
9	N	35.1	Very low	35.6	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	75%	0.747	S	S	*	*			trans	-133.3	14.3	177	-109.9	-34.4	0	0	0	117.5	R11	N9-R11 VanDerWaalsContact C-N 3.35Å; N9-R11 PolarHBondContact O-N 3.34Å
10	Y	30.6	Very low	36.2	Very low	195 Å²	195	138.4 Å²	138.4	77%	0.765	73%	0.733	S	S	*	*			trans	-93.2	66.2	177.5	-153.5	-97.1	0	0	0	111.9
11	R	30.4	Very low	36.7	Very low	213 Å²	213	135.5 Å²	135.5	80%	0.804	72%	0.724	S	S	*	*			trans	-132.8	109.5	165.5	-99.3	-175.3	172.6	163.9	-0.9	108.9	N9	N9-R11 VanDerWaalsContact C-N 3.35Å; N9-R11 PolarHBondContact O-N 3.34Å
12	N	28.7	Very low	36.9	Very low	140 Å²	140	126.9 Å²	126.9	75%	0.749	69%	0.69	S	S	*	*			trans	73.7	112.7	159.6	-30.7	-20.2	0	0	0	109.9
13	E	32.8	Very low	37.1	Very low	179 Å²	179	124.6 Å²	124.6	84%	0.836	68%	0.682	S	S	*	*				-168.4	144.1	69.1	-79.9	168.8	163.1	0	0	107	S15	E13-S15 PolarHBondContact O-N 3.28Å
14	T	28.8	Very low	37.3	Very low	135 Å²	135	122.3 Å²	122.3	83%	0.828	67%	0.67	S	S	*	*			trans	-36.5	108	168.1	46	0	0	0	0	112.2
15	S	35.4	Very low	37.6	Very low	113 Å²	113	121.9 Å²	121.9	79%	0.79	68%	0.675	S	S	*	*			trans	169.3	117.8	152.8	-80.8	0	0	0	0	111	E13	E13-S15 PolarHBondContact O-N 3.28Å
16	N	37.5	Very low	37.9	Very low	150 Å²	150	117.6 Å²	117.6	80%	0.802	66%	0.661	S	S	*	*			trans	72	42.9	135.1	-138	25.5	0	0	0	119.2	G18	N16-G18 PolarHBondContact O-N 3.16Å
17	C	39.4	Very low	38.4	Very low	66 Å²	66	119.9 Å²	119.9	45%	0.446	67%	0.666	S	S	.	*			trans	-93.3	80.8	168.6	-161.6	0	0	0	0	111	C35	C17-C35 HydrophobicContact CB-CB 4.49Å; C17-C35 PolarHBondContact O-SG 2.93Å
18	G	46.5	Very low	39.3	Very low	35 Å²	35	119.3 Å²	119.3	36%	0.361	66%	0.663	S	S	.	*			trans	-61.4	152.2	166	0	0	0	0	0	111.5	N16 V20	N16-G18 PolarHBondContact O-N 3.16Å; G18-V20 PolarHBondContact O-N 3.38Å
19	I	49	Very low	40.1	Very low	53 Å²	53	118.6 Å²	118.6	27%	0.272	66%	0.655	S	S	.	*			trans	-30.9	118.3	-177	-61.8	155.9	0	0	0	112.8	S21 I44 L47	I19-S21 PolarHBondContact O-N 2.98Å; I19-I44 HydrophobicContact CD1-CG2 4.27Å; I19-L47 HydrophobicContact CG1-CD2 4.21Å; I19-L47 HydrophobicContact CG2-CD2 4.28Å
20	V	47.5	Very low	41.2	Very low	75 Å²	75	119 Å²	119	46%	0.455	65%	0.652	S	S	.	*			trans	-91.3	101.5	168.3	-151.2	0	0	0	0	107.3	G18 A22	G18-V20 PolarHBondContact O-N 3.38Å; V20-A22 PolarHBondContact O-N 3.17Å
21	S	45.3	Very low	43	Very low	78 Å²	78	112.3 Å²	112.3	55%	0.545	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.6	112.5	170	-66.6	0	0	0	0	108.5	I19	I19-S21 PolarHBondContact O-N 2.98Å
22	A	41	Very low	44.8	Very low	52 Å²	52	102.5 Å²	102.5	43%	0.43	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92	103.5	173.7	0	0	0	0	0	108.5	V20 S24 L31	V20-A22 PolarHBondContact O-N 3.17Å; A22-S24 PolarHBondContact O-N 3.13Å; A22-L31 PolarHBondContact N-O 3.13Å
23	T	37.1	Very low	47	Very low	114 Å²	114	98.4 Å²	98.4	70%	0.699	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.8	105	170.8	54	0	0	0	0	108.5
24	S	40.5	Very low	49	Very low	60 Å²	60	89.9 Å²	89.9	42%	0.42	53%	0.531	S	S	.	.			trans	-73.1	137.5	165.7	79.9	0	0	0	0	108.8	A22 S26	A22-S24 PolarHBondContact O-N 3.13Å; S24-S26 PolarHBondContact O-N 3.09Å
25	T	40	Very low	51	Low	151 Å²	151	85.5 Å²	85.5	93%	0.926	51%	0.505	S	S	*	.	S	Bend	trans	-73.4	72.4	177.6	53.7	0	0	0	0	109.9
26	S	45.8	Very low	52.9	Low	70 Å²	70	83.7 Å²	83.7	49%	0.49	49%	0.486	S	S	.	.	S	Bend	trans	-162.3	127.2	164.8	50	0	0	0	0	106.6	S24 D28	S24-S26 PolarHBondContact O-N 3.09Å; S26-D28 PolarHBondContact O-N 3.25Å
27	E	46.2	Very low	54.8	Low	196 Å²	196	79.4 Å²	79.4	92%	0.916	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	12.5	-150.1	-61.6	-176.5	124.8	0	0	117.8
28	D	51	Low	56.5	Low	153 Å²	153	78.4 Å²	78.4	82%	0.818	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	3.5	-173.6	-73.5	-59.9	0	0	0	117.2	S26	S26-D28 PolarHBondContact O-N 3.25Å
29	D	54.4	Low	57.8	Low	103 Å²	103	81.2 Å²	81.2	55%	0.551	47%	0.472	S	S	*	.			trans	-125.9	84	-175.8	-84.5	-34	0	0	0	113.4	L31	D29-L31 PolarHBondContact O-N 3.44Å; D29-L31 VanDerWaalsContact O-N 3.15Å
30	Q	58.1	Low	58.9	Low	168 Å²	168	82.8 Å²	82.8	79%	0.785	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	92.3	166.7	-71.4	-179	16.1	0	0	110.1
31	L	67.1	Low	60.3	Low	55 Å²	55	79.7 Å²	79.7	29%	0.288	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.2	176	-61.8	176.1	0	0	0	111.1	A22 D29 F41	A22-L31 PolarHBondContact N-O 3.13Å; D29-L31 PolarHBondContact O-N 3.44Å; D29-L31 VanDerWaalsContact O-N 3.15Å; L31-F41 CarbonylContact C-O 3.57Å; L31-F41 WeakPolarHBondContact CA-O 3.31Å
32	S	69.6	Low	61.4	Low	7 Å²	7	80.6 Å²	80.6	5%	0.049	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.3	173.9	-50.5	0	0	0	0	110.1	T40 F41 I44	S32-T40 CarbonylContact O-C 3.59Å; S32-F41 PolarHBondContact N-O 3.44Å; S32-F41 WeakPolarHBondContact O-CB 3.09Å; S32-F41 PolarHBondContact O-N 3.39Å; S32-I44 WeakPolarHBondContact OG-CG1 3.44Å; S32-I44 PolarHBondContact OG-N 3.26Å
33	L	73.6	Confident	62.9	Low	53 Å²	53	80.1 Å²	80.1	28%	0.277	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.3	-178.8	-170.8	89	0	0	0	111.3	G38 Q39 T40 L47	L33-G38 VanDerWaalsContact CD1-O 3.28Å; L33-G38 WeakPolarHBondContact CD1-O 3.44Å; L33-Q39 CarbonylContact C-O 3.51Å; L33-Q39 WeakPolarHBondContact CA-O 3.49Å; L33-T40 HydrophobicContact CD1-CG2 3.63Å; L33-L47 WeakPolarHBondContact O-CD2 3.27Å
34	C	75.9	Confident	64.6	Low	1 Å²	1	78.7 Å²	78.7	1%	0.007	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-80.3	118.2	164.3	-178.7	0	0	0	0	110.4	L36 C37 G38 Q39 F41 L47 H50	C34-L36 PolarHBondContact O-N 3.38Å; C34-L36 PolarHBondContact SG-N 3.07Å; C34-L36 VanDerWaalsContact SG-N 3.36Å; C34-C37 VanDerWaalsContact SG-SG 3.64Å; C34-G38 WeakPolarHBondContact O-CA 3.44Å; C34-G38 PolarHBondContact O-N 2.9Å; C34-Q39 PolarHBondContact N-O 3.43Å; C34-F41 HydrophobicContact CB-CE2 3.97Å; C34-L47 VanDerWaalsContact CA-CD1 3.49Å; C34-L47 HydrophobicContact CB-CD1 3.52Å; C34-H50 WeakPolarHBondContact CB-NE2 3.5Å; C34-H50 VanDerWaalsContact SG-CD2 3.55Å; C34-H50 PolarHBondContact SG-NE2 3.41Å
35	C	70.8	Confident	66	Low	42 Å²	42	83.8 Å²	83.8	28%	0.284	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.4	176.3	56.4	0	0	0	0	113.5	C17	C17-C35 HydrophobicContact CB-CB 4.49Å; C17-C35 PolarHBondContact O-SG 2.93Å
36	L	74.9	Confident	67.6	Low	75 Å²	75	78.6 Å²	78.6	39%	0.393	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-26.2	-176.2	-57.8	172.6	0	0	0	113.6	C34 H55 V58	C34-L36 PolarHBondContact O-N 3.38Å; C34-L36 PolarHBondContact SG-N 3.07Å; C34-L36 VanDerWaalsContact SG-N 3.36Å; L36-H55 VanDerWaalsContact CB-CE1 3.46Å; L36-H55 WeakPolarHBondContact CB-CE1 3.35Å; L36-H55 HydrophobicContact CD1-CB 3.48Å; L36-H55 VanDerWaalsContact CD1-CB 3.48Å; L36-H55 VanDerWaalsContact CD1-CG 3.41Å; L36-V58 HydrophobicContact CD1-CG2 3.78Å
37	C	76.6	Confident	69	Low	60 Å²	60	75.3 Å²	75.3	41%	0.405	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-2.9	-178.6	70.7	0	0	0	0	114.7	C34 Q39 H50	C34-C37 VanDerWaalsContact SG-SG 3.64Å; C37-Q39 PolarHBondContact O-N 3.24Å; C37-H50 PolarHBondContact SG-CE1 3.2Å; C37-H50 PolarHBondContact SG-NE2 2.98Å
38	G	75.5	Confident	70.4	Confident	45 Å²	45	70 Å²	70	46%	0.464	39%	0.386	S	S	.	.			trans	73.1	6.7	-179.8	0	0	0	0	0	115.2	L33 C34	L33-G38 VanDerWaalsContact CD1-O 3.28Å; L33-G38 WeakPolarHBondContact CD1-O 3.44Å; C34-G38 WeakPolarHBondContact O-CA 3.44Å; C34-G38 PolarHBondContact O-N 2.9Å
39	Q	73.1	Confident	71.4	Confident	94 Å²	94	65.1 Å²	65.1	44%	0.439	36%	0.359	S	S	.	.			trans	-71	138	178.4	-72.8	-166	5.7	0	0	111.8	L33 C34 C37 F41	L33-Q39 CarbonylContact C-O 3.51Å; L33-Q39 WeakPolarHBondContact CA-O 3.49Å; C34-Q39 PolarHBondContact N-O 3.43Å; C37-Q39 PolarHBondContact O-N 3.24Å; Q39-F41 HydrophobicContact CB-CE2 3.56Å; Q39-F41 HydrophobicContact CB-CZ 3.77Å; Q39-F41 WeakPolarHBondContact O-CD2 3.35Å; Q39-F41 WeakPolarHBondContact O-CE2 3.46Å
40	T	72.9	Confident	72.5	Confident	86 Å²	86	60.4 Å²	60.4	53%	0.528	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141.3	173.8	54.9	0	0	0	0	110.8	S32 L33	S32-T40 CarbonylContact O-C 3.59Å; L33-T40 HydrophobicContact CD1-CG2 3.63Å
41	F	76.7	Confident	73.3	Confident	11 Å²	11	54 Å²	54	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.2	-177.7	-67.1	-85.2	0	0	0	109.8	L31 S32 C34 Q39 S43 L47 H50 P103	L31-F41 CarbonylContact C-O 3.57Å; L31-F41 WeakPolarHBondContact CA-O 3.31Å; S32-F41 PolarHBondContact N-O 3.44Å; S32-F41 WeakPolarHBondContact O-CB 3.09Å; S32-F41 PolarHBondContact O-N 3.39Å; C34-F41 HydrophobicContact CB-CE2 3.97Å; Q39-F41 HydrophobicContact CB-CE2 3.56Å; Q39-F41 HydrophobicContact CB-CZ 3.77Å; Q39-F41 WeakPolarHBondContact O-CD2 3.35Å; Q39-F41 WeakPolarHBondContact O-CE2 3.46Å; F41-S43 PolarHBondContact O-N 3.43Å; F41-L47 HydrophobicContact CB-CB 4.1Å; F41-L47 HydrophobicContact CD2-CB 4.01Å; F41-L47 HydrophobicContact CD2-CD1 3.63Å; F41-L47 HydrophobicContact CD2-CG 4.42Å; F41-L47 HydrophobicContact CE2-CD1 3.87Å; F41-L47 HydrophobicContact CG-CB 4.1Å; F41-H50 HydrophobicContact CD1-CB 4.34Å; F41-H50 HydrophobicContact CE1-CB 3.54Å; F41-H50 AromaticContact CE1-CG 3.88Å; F41-H50 HydrophobicContact CE2-CB 3.95Å; F41-H50 AromaticContact CE2-CD2 3.65Å; F41-H50 AromaticContact CE2-CG 3.63Å; F41-H50 HydrophobicContact CZ-CB 3.33Å; F41-H50 AromaticContact CZ-CD2 3.65Å; F41-H50 AromaticContact CZ-CE1 3.94Å; F41-H50 AromaticContact CZ-CG 3.14Å; F41-H50 AromaticContact CZ-ND1 3.36Å; F41-H50 WeakPolarHBondContact CZ-ND1 3.5Å; F41-P103 HydrophobicContact CE1-CB 4.46Å
42	P	69.5	Low	73.5	Confident	97 Å²	97	55.4 Å²	55.4	63%	0.63	31%	0.313	S	S	*	.	S	Bend	trans	-72.5	-6.3	-179.7	30.7	-36.3	0	0	0	113.6
43	S	70.9	Confident	73.4	Confident	42 Å²	42	55.5 Å²	55.5	29%	0.294	31%	0.313	S	S	.	.	S	Bend	trans	-159.4	155.7	176.6	72.3	0	0	0	0	111.5	F41 K45 S46 L47	F41-S43 PolarHBondContact O-N 3.43Å; S43-K45 PolarHBondContact O-N 2.77Å; S43-S46 WeakPolarHBondContact O-CB 3.36Å; S43-S46 PolarHBondContact O-N 2.95Å; S43-S46 VanDerWaalsContact O-N 3.1Å; S43-S46 PolarHBondContact OG-N 2.79Å; S43-S46 VanDerWaalsContact OG-N 3.13Å; S43-S46 PolarHBondContact OG-OG 3.19Å; S43-L47 PolarHBondContact O-N 3.09Å
44	I	72.7	Confident	73.4	Confident	83 Å²	83	54.7 Å²	54.7	43%	0.426	31%	0.31	S	S	.	.	H	α-helix	trans	-56.9	-35.9	172.2	-63.1	171.6	0	0	0	110.9	I19 S32 S46 L47 H48	I19-I44 HydrophobicContact CD1-CG2 4.27Å; S32-I44 WeakPolarHBondContact OG-CG1 3.44Å; S32-I44 PolarHBondContact OG-N 3.26Å; I44-S46 PolarHBondContact O-N 3.07Å; I44-L47 WeakPolarHBondContact O-CB 3.41Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-H48 PolarHBondContact O-N 3.47Å
45	K	71.2	Confident	73.3	Confident	168 Å²	168	56.5 Å²	56.5	73%	0.73	32%	0.318	S	S	*	.	H	α-helix	trans	-61.9	-44.4	176.7	-66.9	179	-177.9	172.2	0	111.8	S43 L47 H48 I49	S43-K45 PolarHBondContact O-N 2.77Å; K45-L47 VanDerWaalsContact C-N 3.32Å; K45-H48 PolarHBondContact O-N 2.79Å; K45-I49 WeakPolarHBondContact O-CG1 3.41Å; K45-I49 PolarHBondContact O-N 2.95Å
46	S	73.1	Confident	72.9	Confident	41 Å²	41	59.3 Å²	59.3	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-37.8	176.4	-58.6	0	0	0	0	111.5	S43 I44 H50	S43-S46 WeakPolarHBondContact O-CB 3.36Å; S43-S46 PolarHBondContact O-N 2.95Å; S43-S46 VanDerWaalsContact O-N 3.1Å; S43-S46 PolarHBondContact OG-N 2.79Å; S43-S46 VanDerWaalsContact OG-N 3.13Å; S43-S46 PolarHBondContact OG-OG 3.19Å; I44-S46 PolarHBondContact O-N 3.07Å; S46-H50 WeakPolarHBondContact O-CB 3.46Å; S46-H50 PolarHBondContact O-N 3.03Å
47	L	75.9	Confident	71.8	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-44.6	173.2	174.5	61.3	0	0	0	112.1	I19 L33 C34 F41 S43 I44 K45 I49 H50 I51	I19-L47 HydrophobicContact CG1-CD2 4.21Å; I19-L47 HydrophobicContact CG2-CD2 4.28Å; L33-L47 WeakPolarHBondContact O-CD2 3.27Å; C34-L47 VanDerWaalsContact CA-CD1 3.49Å; C34-L47 HydrophobicContact CB-CD1 3.52Å; F41-L47 HydrophobicContact CB-CB 4.1Å; F41-L47 HydrophobicContact CD2-CB 4.01Å; F41-L47 HydrophobicContact CD2-CD1 3.63Å; F41-L47 HydrophobicContact CD2-CG 4.42Å; F41-L47 HydrophobicContact CE2-CD1 3.87Å; F41-L47 HydrophobicContact CG-CB 4.1Å; S43-L47 PolarHBondContact O-N 3.09Å; I44-L47 WeakPolarHBondContact O-CB 3.41Å; I44-L47 PolarHBondContact O-N 3.26Å; K45-L47 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.19Å; L47-H50 CarbonylContact O-C 3.54Å; L47-H50 WeakPolarHBondContact O-CA 3.32Å; L47-H50 WeakPolarHBondContact O-CB 3.45Å; L47-H50 PolarHBondContact O-N 3.46Å; L47-H50 VanDerWaalsContact O-N 3.1Å; L47-I51 HydrophobicContact CD1-CD1 3.94Å; L47-I51 HydrophobicContact CD1-CG1 4.05Å; L47-I51 HydrophobicContact CG-CD1 3.89Å; L47-I51 HydrophobicContact CG-CG1 4.41Å; L47-I51 WeakPolarHBondContact O-CG1 3.35Å; L47-I51 PolarHBondContact O-N 2.84Å
48	H	74.4	Confident	70.6	Confident	84 Å²	84	64 Å²	64	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-42.9	176.1	-83	-162.4	0	0	0	112.2	I44 K45 H50 I51 N52	I44-H48 PolarHBondContact O-N 3.47Å; K45-H48 PolarHBondContact O-N 2.79Å; H48-H50 VanDerWaalsContact C-N 3.27Å; H48-H50 PolarHBondContact O-N 2.77Å; H48-I51 PolarHBondContact O-N 3.15Å; H48-N52 WeakPolarHBondContact O-CB 3.42Å; H48-N52 VanDerWaalsContact O-CG 3.32Å; H48-N52 PolarHBondContact O-N 3.44Å
49	I	73.4	Confident	69.3	Low	52 Å²	52	64.5 Å²	64.5	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-43	173.6	-66.9	165.6	0	0	0	109.6	K45 L47 V53 V100 L115	K45-I49 WeakPolarHBondContact O-CG1 3.41Å; K45-I49 PolarHBondContact O-N 2.95Å; L47-I49 PolarHBondContact O-N 3.19Å; I49-V53 HydrophobicContact CG2-CG2 4.16Å; I49-V53 WeakPolarHBondContact O-CB 3.39Å; I49-V53 WeakPolarHBondContact O-CG2 3.48Å; I49-V53 PolarHBondContact O-N 3.4Å; I49-V100 HydrophobicContact CD1-CG1 4.38Å; I49-L115 HydrophobicContact CG2-CD2 4.21Å
50	H	76.6	Confident	68.1	Low	3 Å²	3	68.3 Å²	68.3	1%	0.014	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-49.4	175.8	164.2	82.8	0	0	0	112.5	C34 C37 F41 S46 L47 H48 N52 V53 V54 H55	C34-H50 WeakPolarHBondContact CB-NE2 3.5Å; C34-H50 VanDerWaalsContact SG-CD2 3.55Å; C34-H50 PolarHBondContact SG-NE2 3.41Å; C37-H50 PolarHBondContact SG-CE1 3.2Å; C37-H50 PolarHBondContact SG-NE2 2.98Å; F41-H50 HydrophobicContact CD1-CB 4.34Å; F41-H50 HydrophobicContact CE1-CB 3.54Å; F41-H50 AromaticContact CE1-CG 3.88Å; F41-H50 HydrophobicContact CE2-CB 3.95Å; F41-H50 AromaticContact CE2-CD2 3.65Å; F41-H50 AromaticContact CE2-CG 3.63Å; F41-H50 HydrophobicContact CZ-CB 3.33Å; F41-H50 AromaticContact CZ-CD2 3.65Å; F41-H50 AromaticContact CZ-CE1 3.94Å; F41-H50 AromaticContact CZ-CG 3.14Å; F41-H50 AromaticContact CZ-ND1 3.36Å; F41-H50 WeakPolarHBondContact CZ-ND1 3.5Å; S46-H50 WeakPolarHBondContact O-CB 3.46Å; S46-H50 PolarHBondContact O-N 3.03Å; L47-H50 CarbonylContact O-C 3.54Å; L47-H50 WeakPolarHBondContact O-CA 3.32Å; L47-H50 WeakPolarHBondContact O-CB 3.45Å; L47-H50 PolarHBondContact O-N 3.46Å; L47-H50 VanDerWaalsContact O-N 3.1Å; H48-H50 VanDerWaalsContact C-N 3.27Å; H48-H50 PolarHBondContact O-N 2.77Å; H50-N52 PolarHBondContact O-N 2.96Å; H50-V53 PolarHBondContact O-N 3.45Å; H50-V54 WeakPolarHBondContact O-CA 3.23Å; H50-V54 WeakPolarHBondContact O-CB 3.39Å; H50-V54 WeakPolarHBondContact O-CG2 3.48Å; H50-V54 PolarHBondContact O-N 3.19Å; H50-H55 AromaticContact CD2-CD2 3.87Å; H50-H55 AromaticContact CE1-CD2 3.91Å; H50-H55 AromaticContact CE1-NE2 3.6Å; H50-H55 AromaticContact NE2-CD2 3.28Å; H50-H55 PolarHBondContact NE2-CD2 3.35Å; H50-H55 VanDerWaalsContact NE2-CD2 3.28Å; H50-H55 AromaticContact NE2-NE2 3.11Å; H50-H55 PolarHBondContact NE2-NE2 3.36Å; H50-H55 VanDerWaalsContact NE2-NE2 3.11Å
51	I	74	Confident	66.8	Low	35 Å²	35	68.8 Å²	68.8	18%	0.179	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-49.2	179.3	-66	167.6	0	0	0	110.1	L47 H48 V53 H55 V58	L47-I51 HydrophobicContact CD1-CD1 3.94Å; L47-I51 HydrophobicContact CD1-CG1 4.05Å; L47-I51 HydrophobicContact CG-CD1 3.89Å; L47-I51 HydrophobicContact CG-CG1 4.41Å; L47-I51 WeakPolarHBondContact O-CG1 3.35Å; L47-I51 PolarHBondContact O-N 2.84Å; H48-I51 PolarHBondContact O-N 3.15Å; I51-V53 VanDerWaalsContact C-N 3.27Å; I51-V53 PolarHBondContact O-N 2.88Å; I51-H55 HydrophobicContact CG2-CB 4.38Å; I51-H55 CarbonylContact O-C 3.55Å; I51-H55 WeakPolarHBondContact O-CA 3.38Å; I51-H55 WeakPolarHBondContact O-CB 3.46Å; I51-H55 PolarHBondContact O-N 3.18Å; I51-V58 HydrophobicContact CG2-CG2 4.15Å
52	N	71.7	Confident	65.1	Low	84 Å²	84	73 Å²	73	45%	0.449	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-22.7	-176.9	-70.6	-14.4	0	0	0	114	H48 H50	H48-N52 WeakPolarHBondContact O-CB 3.42Å; H48-N52 VanDerWaalsContact O-CG 3.32Å; H48-N52 PolarHBondContact O-N 3.44Å; H50-N52 PolarHBondContact O-N 2.96Å
53	V	69.1	Low	63.8	Low	9 Å²	9	74.5 Å²	74.5	6%	0.055	40%	0.395	C	S	.	.	H	α-helix	trans	-100.8	-34.5	-178	-179.1	0	0	0	0	112.5	I49 H50 I51 I119	I49-V53 HydrophobicContact CG2-CG2 4.16Å; I49-V53 WeakPolarHBondContact O-CB 3.39Å; I49-V53 WeakPolarHBondContact O-CG2 3.48Å; I49-V53 PolarHBondContact O-N 3.4Å; H50-V53 PolarHBondContact O-N 3.45Å; I51-V53 VanDerWaalsContact C-N 3.27Å; I51-V53 PolarHBondContact O-N 2.88Å; V53-I119 HydrophobicContact CB-CD1 4.44Å; V53-I119 HydrophobicContact CG1-CB 4.25Å; V53-I119 HydrophobicContact CG1-CD1 3.42Å; V53-I119 VanDerWaalsContact CG1-CD1 3.42Å; V53-I119 HydrophobicContact CG1-CG1 4.42Å; V53-I119 HydrophobicContact CG1-CG2 4.07Å
54	V	73.2	Confident	62.3	Low	35 Å²	35	77.7 Å²	77.7	21%	0.212	40%	0.404	C	S	.	.	H	α-helix	trans	-98.3	-35.4	-176.4	-177.5	0	0	0	0	111.6	H50	H50-V54 WeakPolarHBondContact O-CA 3.23Å; H50-V54 WeakPolarHBondContact O-CB 3.39Å; H50-V54 WeakPolarHBondContact O-CG2 3.48Å; H50-V54 PolarHBondContact O-N 3.19Å
55	H	73.5	Confident	60.8	Low	39 Å²	39	80.3 Å²	80.3	18%	0.181	41%	0.414	C	S	.	.			trans	-116.4	43.9	-171.1	-61	-68.7	0	0	0	112.5	L36 H50 I51 E57 V58	L36-H55 VanDerWaalsContact CB-CE1 3.46Å; L36-H55 WeakPolarHBondContact CB-CE1 3.35Å; L36-H55 HydrophobicContact CD1-CB 3.48Å; L36-H55 VanDerWaalsContact CD1-CB 3.48Å; L36-H55 VanDerWaalsContact CD1-CG 3.41Å; H50-H55 AromaticContact CD2-CD2 3.87Å; H50-H55 AromaticContact CE1-CD2 3.91Å; H50-H55 AromaticContact CE1-NE2 3.6Å; H50-H55 AromaticContact NE2-CD2 3.28Å; H50-H55 PolarHBondContact NE2-CD2 3.35Å; H50-H55 VanDerWaalsContact NE2-CD2 3.28Å; H50-H55 AromaticContact NE2-NE2 3.11Å; H50-H55 PolarHBondContact NE2-NE2 3.36Å; H50-H55 VanDerWaalsContact NE2-NE2 3.11Å; I51-H55 HydrophobicContact CG2-CB 4.38Å; I51-H55 CarbonylContact O-C 3.55Å; I51-H55 WeakPolarHBondContact O-CA 3.38Å; I51-H55 WeakPolarHBondContact O-CB 3.46Å; I51-H55 PolarHBondContact O-N 3.18Å; H55-E57 PolarHBondContact O-N 3.09Å; H55-V58 HydrophobicContact CB-CG2 4.1Å; H55-V58 WeakPolarHBondContact O-CG2 3.49Å; H55-V58 PolarHBondContact O-N 3.45Å
56	E	61.6	Low	59.3	Low	102 Å²	102	78.1 Å²	78.1	48%	0.477	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-52.5	-11.9	-173.7	-166.7	166.8	-161.3	0	0	115.7	V58 R116	E56-V58 PolarHBondContact O-N 2.99Å; E56-R116 IonicContact OE1-CZ 3.55Å; E56-R116 IonicContact OE1-NH1 2.96Å; E56-R116 PolarHBondContact OE1-NH1 3.41Å; E56-R116 IonicContact OE1-NH2 3.92Å; E56-R116 PolarHBondContact OE1-NH2 3.47Å; E56-R116 IonicContact OE2-CZ 3.28Å; E56-R116 IonicContact OE2-NH1 3.07Å
57	E	53.1	Low	57.6	Low	189 Å²	189	82.2 Å²	82.2	88%	0.883	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-80.9	-4.1	179.8	-61	-175.9	-177	0	0	115.4	H55	H55-E57 PolarHBondContact O-N 3.09Å
58	V	51.2	Low	55.7	Low	44 Å²	44	88.8 Å²	88.8	27%	0.267	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-110.7	-3.2	178.9	-95.9	0	0	0	0	115.1	L36 I51 H55 E56 D60	L36-V58 HydrophobicContact CD1-CG2 3.78Å; I51-V58 HydrophobicContact CG2-CG2 4.15Å; H55-V58 HydrophobicContact CB-CG2 4.1Å; H55-V58 WeakPolarHBondContact O-CG2 3.49Å; H55-V58 PolarHBondContact O-N 3.45Å; E56-V58 PolarHBondContact O-N 2.99Å; V58-D60 PolarHBondContact O-N 3.45Å
59	A	47.7	Very low	54.1	Low	55 Å²	55	87.6 Å²	87.6	46%	0.455	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.5	-173.4	0	0	0	0	0	114.4
60	D	47.2	Very low	52.5	Low	175 Å²	175	93.8 Å²	93.8	94%	0.936	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	5.1	-178.5	-82.2	-14.3	0	0	0	114	V58	V58-D60 PolarHBondContact O-N 3.45Å
61	S	45.7	Very low	50.8	Low	96 Å²	96	101.2 Å²	101.2	67%	0.671	55%	0.546	S	S	*	.	S	Bend	trans	-134.5	6.8	178.6	61.7	0	0	0	0	115.1
62	F	40.5	Very low	49.2	Very low	100 Å²	100	106.7 Å²	106.7	44%	0.439	58%	0.576	S	S	.	*			trans	-100.5	84.4	178.1	-123.4	-95.9	0	0	0	111.1	F64	F62-F64 PolarHBondContact O-N 3.44Å; F62-F64 VanDerWaalsContact O-N 3.14Å
63	D	42.2	Very low	47.7	Very low	128 Å²	128	109.6 Å²	109.6	68%	0.684	59%	0.591	S	S	*	*			trans	-75.5	91.7	164.5	-170.8	20	0	0	0	108.4	H65	D63-H65 PolarHBondContact O-N 2.91Å; D63-H65 VanDerWaalsContact O-N 3.11Å; D63-H65 IonicContact OD1-CE1 2.61Å; D63-H65 IonicContact OD1-ND1 3.93Å; D63-H65 IonicContact OD2-CE1 2.79Å; D63-H65 PolarHBondContact OD2-CE1 3.2Å; D63-H65 IonicContact OD2-ND1 3.02Å; D63-H65 PolarHBondContact OD2-ND1 3.29Å
64	F	41.3	Very low	46.5	Very low	109 Å²	109	113.6 Å²	113.6	48%	0.478	62%	0.62	S	S	.	*			trans	-80.5	90.4	176	-168.2	-111.7	0	0	0	108.7	F62 L66	F62-F64 PolarHBondContact O-N 3.44Å; F62-F64 VanDerWaalsContact O-N 3.14Å; F64-L66 HydrophobicContact CD1-CD2 3.91Å; F64-L66 HydrophobicContact CD1-CG 3.79Å; F64-L66 HydrophobicContact CE1-CD2 3.37Å; F64-L66 HydrophobicContact CE1-CG 3.81Å; F64-L66 HydrophobicContact CZ-CD2 4.37Å; F64-L66 PolarHBondContact O-N 3.4Å
65	H	39.4	Very low	45.1	Very low	137 Å²	137	120.3 Å²	120.3	63%	0.634	65%	0.648	S	S	*	*			trans	-61.6	100	163.9	-82	24.6	0	0	0	109	D63 T67	D63-H65 PolarHBondContact O-N 2.91Å; D63-H65 VanDerWaalsContact O-N 3.11Å; D63-H65 IonicContact OD1-CE1 2.61Å; D63-H65 IonicContact OD1-ND1 3.93Å; D63-H65 IonicContact OD2-CE1 2.79Å; D63-H65 PolarHBondContact OD2-CE1 3.2Å; D63-H65 IonicContact OD2-ND1 3.02Å; D63-H65 PolarHBondContact OD2-ND1 3.29Å; H65-T67 VanDerWaalsContact C-N 3.34Å; H65-T67 PolarHBondContact O-N 2.73Å; H65-T67 VanDerWaalsContact O-N 3.11Å
66	L	41	Very low	43.4	Very low	123 Å²	123	122.6 Å²	122.6	64%	0.644	67%	0.669	S	S	*	*			trans	-69.1	95.5	158.5	-75.6	166	0	0	0	106.9	F64 D68	F64-L66 HydrophobicContact CD1-CD2 3.91Å; F64-L66 HydrophobicContact CD1-CG 3.79Å; F64-L66 HydrophobicContact CE1-CD2 3.37Å; F64-L66 HydrophobicContact CE1-CG 3.81Å; F64-L66 HydrophobicContact CZ-CD2 4.37Å; F64-L66 PolarHBondContact O-N 3.4Å; L66-D68 PolarHBondContact O-N 2.61Å
67	T	36.3	Very low	42.1	Very low	126 Å²	126	125 Å²	125	77%	0.773	69%	0.69	S	S	*	*			trans	-73.5	86.7	167.6	55.7	0	0	0	0	107.9	H65	H65-T67 VanDerWaalsContact C-N 3.34Å; H65-T67 PolarHBondContact O-N 2.73Å; H65-T67 VanDerWaalsContact O-N 3.11Å
68	D	37.6	Very low	41.2	Very low	140 Å²	140	121.6 Å²	121.6	75%	0.749	68%	0.682	S	S	*	*			trans	-84.3	128	159	-67.1	-40.9	0	0	0	107.8	L66	L66-D68 PolarHBondContact O-N 2.61Å
69	G	39.1	Very low	40.3	Very low	59 Å²	59	127.3 Å²	127.3	61%	0.608	71%	0.711	S	S	*	*			trans	89.5	103.6	170.7	0	0	0	0	0	113
70	E	39.7	Very low	39.5	Very low	182 Å²	182	128.4 Å²	128.4	85%	0.85	73%	0.728	S	S	*	*				59.5	102.4	89.2	-64	-174.3	147.4	0	0	112
71	N	41.1	Very low	39.1	Very low	159 Å²	159	125.6 Å²	125.6	85%	0.85	72%	0.722	S	S	*	*			trans	22.6	111.2	142	-44.3	-43.1	0	0	0	116.2
72	D	40.1	Very low	38.5	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	73%	0.732	S	S	*	*				-177.3	143	103.1	-143.7	-46.5	0	0	0	109.5	S74	D72-S74 PolarHBondContact O-N 3.06Å
73	D	40.6	Very low	38.5	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	75%	0.751	S	S	*	*			trans	-65.8	121.7	179.1	-67.1	-69.3	0	0	0	110.1
74	S	43.6	Very low	38.1	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	75%	0.749	S	S	*	*			trans	160.1	145.8	139.6	53.3	0	0	0	0	113.3	D72	D72-S74 PolarHBondContact O-N 3.06Å
75	H	43.7	Very low	37.7	Very low	176 Å²	176	136.7 Å²	136.7	82%	0.815	77%	0.77	S	S	*	*			trans	77.5	95.8	162.2	-55	-61.2	0	0	0	116.5
76	S	38.1	Very low	37.7	Very low	87 Å²	87	135 Å²	135	61%	0.608	77%	0.773	S	S	*	*				91	92.5	90.6	-176.4	0	0	0	0	111.5	T78	S76-T78 PolarHBondContact O-N 3.08Å; S76-T78 PolarHBondContact O-OG1 3.13Å
77	V	35.4	Very low	37.4	Very low	152 Å²	152	134.7 Å²	134.7	92%	0.921	78%	0.781	S	S	*	*			trans	-60.1	103.8	166.8	-70.5	0	0	0	0	109.4
78	T	33.9	Very low	37.6	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.724	78%	0.781	S	S	*	*			trans	-120.2	110.6	170	28.6	0	0	0	0	110	S76	S76-T78 PolarHBondContact O-N 3.08Å; S76-T78 PolarHBondContact O-OG1 3.13Å
79	L	32.5	Very low	37.8	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	78%	0.777	S	S	*	*			trans	21.2	119.5	144	-87.8	147.2	0	0	0	118.7
80	G	30.4	Very low	37.7	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	79%	0.788	S	S	*	*				46.7	90.8	129.7	0	0	0	0	0	116.3
81	S	38	Very low	37.8	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	79%	0.787	S	S	*	*			trans	-128.3	123.7	163.5	-76	0	0	0	0	110.6	I83	S81-I83 PolarHBondContact O-N 2.85Å
82	R	34.1	Very low	37.6	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	79%	0.79	S	S	*	*			trans	-61.6	119.2	-174.9	-56.8	174.1	-178.5	-159.5	-1.3	109.8	S84	R82-S84 PolarHBondContact O-N 3.2Å; R82-S84 VanDerWaalsContact O-N 3.15Å
83	I	39.4	Very low	37.6	Very low	162 Å²	162	138.8 Å²	138.8	83%	0.831	79%	0.785	S	S	*	*			trans	-81.1	95	160.2	-58.2	178.8	0	0	0	106.8	S81 L85	S81-I83 PolarHBondContact O-N 2.85Å; I83-L85 PolarHBondContact O-N 3.41Å
84	S	34.6	Very low	37.4	Very low	92 Å²	92	136.5 Å²	136.5	64%	0.643	78%	0.78	S	S	*	*			trans	-67.4	107.3	168.7	-60.1	0	0	0	0	109	R82 S86	R82-S84 PolarHBondContact O-N 3.2Å; R82-S84 VanDerWaalsContact O-N 3.15Å; S84-S86 VanDerWaalsContact C-N 3.32Å; S84-S86 PolarHBondContact O-N 3.44Å; S84-S86 VanDerWaalsContact O-N 3.09Å
85	L	33.7	Very low	37.6	Very low	175 Å²	175	140.5 Å²	140.5	92%	0.916	79%	0.786	S	S	*	*			trans	-74	89.5	160.9	-74.9	163.4	0	0	0	107.8	I83	I83-L85 PolarHBondContact O-N 3.41Å
86	S	39.3	Very low	37.5	Very low	101 Å²	101	137 Å²	137	71%	0.706	78%	0.779	S	S	*	*			trans	-113.2	115.7	167.2	55.7	0	0	0	0	109.8	S84	S84-S86 VanDerWaalsContact C-N 3.32Å; S84-S86 PolarHBondContact O-N 3.44Å; S84-S86 VanDerWaalsContact O-N 3.09Å
87	S	33.2	Very low	38.2	Very low	117 Å²	117	140.7 Å²	140.7	82%	0.818	79%	0.786	S	S	*	*			trans	-44.8	136.4	170.5	-55	0	0	0	0	113.2
88	S	40.5	Very low	39.5	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	77%	0.774	S	S	*	*			trans	-161.6	107.8	146.2	-70.1	0	0	0	0	108.8
89	S	41.7	Very low	41.2	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	76%	0.763	S	S	*	*			trans	48.2	116.8	141.7	50.7	0	0	0	0	120.1
90	E	38.1	Very low	43.2	Very low	178 Å²	178	130 Å²	130	83%	0.832	73%	0.729	S	S	*	*			trans	84	78.6	131.4	-60.4	168.5	157.7	0	0	117.3
91	E	40.9	Very low	45.5	Very low	177 Å²	177	129.6 Å²	129.6	83%	0.827	71%	0.711	S	S	*	*			trans	-164.5	82.9	131.7	-106.3	174.5	-175.1	0	0	110.3	I93	E91-I93 PolarHBondContact O-N 3.24Å
92	F	37.3	Very low	47.5	Very low	208 Å²	208	124 Å²	124	91%	0.912	67%	0.672	S	S	*	*			trans	-77.2	74	172.7	-158.2	-95.5	0	0	0	109	S94	F92-S94 PolarHBondContact O-N 3.01Å
93	I	40.4	Very low	49.4	Very low	135 Å²	135	115.2 Å²	115.2	69%	0.692	65%	0.645	S	S	*	*			trans	-87.2	102.7	165.7	-63.9	174.5	0	0	0	106.8	E91 K95	E91-I93 PolarHBondContact O-N 3.24Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.48Å
94	S	36	Very low	51.1	Low	96 Å²	96	111.1 Å²	111.1	67%	0.671	63%	0.625	S	S	*	*			trans	-57.5	91.2	166.7	53.6	0	0	0	0	109.4	F92	F92-S94 PolarHBondContact O-N 3.01Å
95	K	48.8	Very low	53.3	Low	177 Å²	177	109 Å²	109	77%	0.77	61%	0.609	S	S	*	*			trans	-58.4	126.7	165.4	-172.8	172.7	-176.7	171.6	0	106.4	I93 E97	I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.48Å; K95-E97 PolarHBondContact O-N 3.33Å
96	P	41.4	Very low	55.5	Low	103 Å²	103	109.1 Å²	109.1	67%	0.669	60%	0.603	S	S	*	*			trans	-57.2	117	174.1	24	-31.4	0	0	0	106.4	T98	P96-T98 PolarHBondContact O-N 2.83Å
97	E	52.2	Low	57.5	Low	164 Å²	164	110.4 Å²	110.4	77%	0.766	60%	0.595	S	S	*	*			trans	-62.4	92.8	172.1	-62.5	-155.9	139	0	0	106	K95 P99	K95-E97 PolarHBondContact O-N 3.33Å; E97-P99 VanDerWaalsContact O-N 3.13Å
98	T	63.6	Low	59.9	Low	109 Å²	109	108 Å²	108	67%	0.669	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-56	122.7	175.5	49.1	0	0	0	0	105.9	P96 V100	P96-T98 PolarHBondContact O-N 2.83Å; T98-V100 PolarHBondContact O-N 3.1Å
99	P	69.2	Low	61.8	Low	75 Å²	75	104.5 Å²	104.5	49%	0.487	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-68	132.5	-167.3	32.9	-39.7	0	0	0	108.5	E97 V101 S108 F109	E97-P99 VanDerWaalsContact O-N 3.13Å; P99-V101 PolarHBondContact O-N 2.83Å; P99-S108 WeakPolarHBondContact CB-OG 3.46Å; P99-S108 WeakPolarHBondContact CG-OG 3.41Å; P99-F109 CarbonylContact C-O 3.59Å; P99-F109 WeakPolarHBondContact CA-O 3.49Å; P99-F109 WeakPolarHBondContact CB-O 3.31Å
100	V	74.3	Confident	63.5	Low	25 Å²	25	104.3 Å²	104.3	15%	0.152	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.9	-173.7	-162.3	0	0	0	0	108.5	I49 T98 F109 L112 L115	I49-V100 HydrophobicContact CD1-CG1 4.38Å; T98-V100 PolarHBondContact O-N 3.1Å; V100-F109 PolarHBondContact N-O 2.96Å; V100-F109 PolarHBondContact O-N 3.45Å; V100-L112 HydrophobicContact CG1-CD2 3.77Å; V100-L112 HydrophobicContact CG2-CD2 4.24Å; V100-L112 HydrophobicContact CG2-CG 4.22Å; V100-L115 HydrophobicContact CB-CD2 4.12Å; V100-L115 HydrophobicContact CG1-CD2 3.4Å; V100-L115 VanDerWaalsContact CG1-CD2 3.4Å
101	V	78.9	Confident	65.5	Low	70 Å²	70	96.7 Å²	96.7	42%	0.424	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.8	-174.4	180	0	0	0	0	110.4	P99 P103 K106 K107	P99-V101 PolarHBondContact O-N 2.83Å; V101-P103 WeakPolarHBondContact O-CD 3.3Å; V101-K106 HydrophobicContact CG1-CB 4.25Å; V101-K106 WeakPolarHBondContact CG1-O 3.4Å; V101-K107 CarbonylContact C-O 3.55Å; V101-K107 WeakPolarHBondContact CA-O 3.06Å
102	C	79.3	Confident	67.3	Low	0 Å²	0	93.2 Å²	93.2	0%	0	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-67.7	123.5	174	179	0	0	0	0	110.9	N104 K106 K107 F109 L115 H118 H123	C102-N104 PolarHBondContact O-N 3.3Å; C102-N104 PolarHBondContact SG-N 3.32Å; C102-N104 VanDerWaalsContact SG-N 3.39Å; C102-K106 WeakPolarHBondContact O-CA 3.12Å; C102-K106 PolarHBondContact O-N 3.44Å; C102-K107 PolarHBondContact N-O 3.38Å; C102-F109 HydrophobicContact CB-CE2 4.1Å; C102-L115 HydrophobicContact CB-CD1 3.45Å; C102-L115 VanDerWaalsContact CB-CD1 3.45Å; C102-H118 VanDerWaalsContact SG-CD2 3.59Å; C102-H118 PolarHBondContact SG-NE2 2.84Å; C102-H118 VanDerWaalsContact SG-NE2 3.35Å; C102-H123 PolarHBondContact SG-NE2 3.37Å
103	P	74.3	Confident	69.1	Low	50 Å²	50	88 Å²	88	33%	0.325	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.3	176	20.9	-31.9	0	0	0	112.9	F41 V101 I119	F41-P103 HydrophobicContact CE1-CB 4.46Å; V101-P103 WeakPolarHBondContact O-CD 3.3Å; P103-I119 HydrophobicContact CG-CD1 4.42Å
104	N	75.6	Confident	71	Confident	77 Å²	77	84 Å²	84	41%	0.412	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-36.3	-173.2	-63.2	47.5	0	0	0	113.6	C102 H123	C102-N104 PolarHBondContact O-N 3.3Å; C102-N104 PolarHBondContact SG-N 3.32Å; C102-N104 VanDerWaalsContact SG-N 3.39Å; N104-H123 WeakPolarHBondContact CB-NE2 3.39Å
105	C	80.7	Confident	73.1	Confident	46 Å²	46	79.4 Å²	79.4	31%	0.311	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	4	-176.2	73.9	0	0	0	0	115	K107 H118	C105-K107 PolarHBondContact O-N 2.83Å; C105-K107 VanDerWaalsContact SG-CG 3.58Å; C105-H118 VanDerWaalsContact SG-CE1 3.51Å; C105-H118 PolarHBondContact SG-NE2 3.02Å
106	K	80.6	Confident	74.4	Confident	179 Å²	179	75.4 Å²	75.4	78%	0.778	42%	0.419	S	S	*	.			trans	57.7	17.7	179	-56.1	-176.3	-179.5	-177.4	0	115.1	V101 C102	V101-K106 HydrophobicContact CG1-CB 4.25Å; V101-K106 WeakPolarHBondContact CG1-O 3.4Å; C102-K106 WeakPolarHBondContact O-CA 3.12Å; C102-K106 PolarHBondContact O-N 3.44Å
107	K	81.1	Confident	76	Confident	127 Å²	127	71.8 Å²	71.8	55%	0.552	40%	0.396	S	S	*	.			trans	-72.9	141.4	171.6	-73.9	178.6	-175.3	-74.9	0	111	V101 C102 C105 F109	V101-K107 CarbonylContact C-O 3.55Å; V101-K107 WeakPolarHBondContact CA-O 3.06Å; C102-K107 PolarHBondContact N-O 3.38Å; C105-K107 PolarHBondContact O-N 2.83Å; C105-K107 VanDerWaalsContact SG-CG 3.58Å; K107-F109 HydrophobicContact CB-CE2 3.65Å; K107-F109 HydrophobicContact CB-CZ 3.91Å; K107-F109 WeakPolarHBondContact O-CD2 3.22Å; K107-F109 WeakPolarHBondContact O-CE2 3.32Å
108	S	82.8	Confident	77.4	Confident	67 Å²	67	64.8 Å²	64.8	47%	0.469	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.1	-176.4	-159.4	0	0	0	0	111.5	P99	P99-S108 WeakPolarHBondContact CB-OG 3.46Å; P99-S108 WeakPolarHBondContact CG-OG 3.41Å
109	F	80.8	Confident	78.1	Confident	37 Å²	37	59.6 Å²	59.6	16%	0.162	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.6	-175.3	-65.9	-84.9	0	0	0	111.1	P99 V100 C102 K107 G111 L115 H118	P99-F109 CarbonylContact C-O 3.59Å; P99-F109 WeakPolarHBondContact CA-O 3.49Å; P99-F109 WeakPolarHBondContact CB-O 3.31Å; V100-F109 PolarHBondContact N-O 2.96Å; V100-F109 PolarHBondContact O-N 3.45Å; C102-F109 HydrophobicContact CB-CE2 4.1Å; K107-F109 HydrophobicContact CB-CE2 3.65Å; K107-F109 HydrophobicContact CB-CZ 3.91Å; K107-F109 WeakPolarHBondContact O-CD2 3.22Å; K107-F109 WeakPolarHBondContact O-CE2 3.32Å; F109-G111 PolarHBondContact O-N 2.74Å; F109-G111 VanDerWaalsContact O-N 3.13Å; F109-L115 HydrophobicContact CB-CB 4.18Å; F109-L115 HydrophobicContact CD2-CB 4.12Å; F109-L115 HydrophobicContact CD2-CD1 3.63Å; F109-L115 HydrophobicContact CD2-CG 4.48Å; F109-L115 HydrophobicContact CE2-CD1 3.89Å; F109-L115 HydrophobicContact CG-CB 4.26Å; F109-H118 HydrophobicContact CD1-CB 4.35Å; F109-H118 HydrophobicContact CE1-CB 3.59Å; F109-H118 AromaticContact CE1-CG 3.85Å; F109-H118 HydrophobicContact CE2-CB 3.89Å; F109-H118 AromaticContact CE2-CD2 3.37Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.42Å; F109-H118 AromaticContact CE2-CG 3.53Å; F109-H118 AromaticContact CE2-NE2 3.95Å; F109-H118 HydrophobicContact CZ-CB 3.35Å; F109-H118 AromaticContact CZ-CD2 3.44Å; F109-H118 VanDerWaalsContact CZ-CD2 3.44Å; F109-H118 WeakPolarHBondContact CZ-CD2 3.49Å; F109-H118 AromaticContact CZ-CE1 3.99Å; F109-H118 AromaticContact CZ-CG 3.08Å; F109-H118 AromaticContact CZ-ND1 3.48Å; F109-H118 WeakPolarHBondContact CZ-ND1 3.34Å; F109-H118 AromaticContact CZ-NE2 3.96Å
110	P	77.9	Confident	78.2	Confident	90 Å²	90	57.1 Å²	57.1	58%	0.584	31%	0.313	S	S	*	.	S	Bend	trans	-67.3	-14.3	-177.2	27.5	-35.3	0	0	0	113.7
111	G	79.7	Confident	78.2	Confident	19 Å²	19	58.3 Å²	58.3	20%	0.196	32%	0.323	C	S	.	.	S	Bend	trans	-169.7	171.1	178.5	0	0	0	0	0	113.1	F109 T113 S114 L115	F109-G111 PolarHBondContact O-N 2.74Å; F109-G111 VanDerWaalsContact O-N 3.13Å; G111-T113 VanDerWaalsContact C-N 3.32Å; G111-T113 PolarHBondContact O-N 2.67Å; G111-S114 PolarHBondContact O-N 3.46Å; G111-L115 PolarHBondContact O-N 3.02Å; G111-L115 VanDerWaalsContact O-N 3.09Å
112	L	79.4	Confident	78	Confident	103 Å²	103	59.3 Å²	59.3	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-38.8	-177.7	-73.2	168.7	0	0	0	112.8	V100 S114 L115 R116	V100-L112 HydrophobicContact CG1-CD2 3.77Å; V100-L112 HydrophobicContact CG2-CD2 4.24Å; V100-L112 HydrophobicContact CG2-CG 4.22Å; L112-S114 PolarHBondContact O-N 2.98Å; L112-L115 PolarHBondContact O-N 2.88Å; L112-R116 WeakPolarHBondContact O-CB 3.06Å; L112-R116 PolarHBondContact O-N 3.47Å
113	T	74.9	Confident	78	Confident	98 Å²	98	62.4 Å²	62.4	60%	0.601	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-45.9	178.1	-46.8	0	0	0	0	111.3	G111 L115 R116 V117 T140	G111-T113 VanDerWaalsContact C-N 3.32Å; G111-T113 PolarHBondContact O-N 2.67Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L115 PolarHBondContact O-N 3Å; T113-R116 PolarHBondContact O-N 3Å; T113-V117 WeakPolarHBondContact O-CG2 3.47Å; T113-V117 PolarHBondContact O-N 2.8Å; T113-V117 VanDerWaalsContact O-N 3.08Å; T113-T140 HydrophobicContact CG2-CG2 4.5Å
114	S	78.5	Confident	77.8	Confident	52 Å²	52	63 Å²	63	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177.2	-59.5	0	0	0	0	111.8	G111 L112 H118	G111-S114 PolarHBondContact O-N 3.46Å; L112-S114 PolarHBondContact O-N 2.98Å; S114-H118 WeakPolarHBondContact O-CB 3.35Å; S114-H118 PolarHBondContact O-N 3.45Å
115	L	81.3	Confident	77	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.5	-43.6	175.5	174	59.8	0	0	0	112.2	I49 V100 C102 F109 G111 L112 T113 V117 H118 I119	I49-L115 HydrophobicContact CG2-CD2 4.21Å; V100-L115 HydrophobicContact CB-CD2 4.12Å; V100-L115 HydrophobicContact CG1-CD2 3.4Å; V100-L115 VanDerWaalsContact CG1-CD2 3.4Å; C102-L115 HydrophobicContact CB-CD1 3.45Å; C102-L115 VanDerWaalsContact CB-CD1 3.45Å; F109-L115 HydrophobicContact CB-CB 4.18Å; F109-L115 HydrophobicContact CD2-CB 4.12Å; F109-L115 HydrophobicContact CD2-CD1 3.63Å; F109-L115 HydrophobicContact CD2-CG 4.48Å; F109-L115 HydrophobicContact CE2-CD1 3.89Å; F109-L115 HydrophobicContact CG-CB 4.26Å; G111-L115 PolarHBondContact O-N 3.02Å; G111-L115 VanDerWaalsContact O-N 3.09Å; L112-L115 PolarHBondContact O-N 2.88Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L115 PolarHBondContact O-N 3Å; L115-V117 PolarHBondContact O-N 3.28Å; L115-H118 WeakPolarHBondContact O-CB 3.26Å; L115-H118 PolarHBondContact O-N 3.14Å; L115-I119 HydrophobicContact CD1-CD1 3.69Å; L115-I119 HydrophobicContact CD1-CG1 4.04Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.83Å; L115-I119 PolarHBondContact O-N 3.28Å
116	R	76.8	Confident	76	Confident	92 Å²	92	66 Å²	66	35%	0.347	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-49.7	177.1	-177.1	-176.9	-68.9	-165.6	-12.2	111	E56 L112 T113 H118 I119 D120	E56-R116 IonicContact OE1-CZ 3.55Å; E56-R116 IonicContact OE1-NH1 2.96Å; E56-R116 PolarHBondContact OE1-NH1 3.41Å; E56-R116 IonicContact OE1-NH2 3.92Å; E56-R116 PolarHBondContact OE1-NH2 3.47Å; E56-R116 IonicContact OE2-CZ 3.28Å; E56-R116 IonicContact OE2-NH1 3.07Å; L112-R116 WeakPolarHBondContact O-CB 3.06Å; L112-R116 PolarHBondContact O-N 3.47Å; T113-R116 PolarHBondContact O-N 3Å; R116-H118 VanDerWaalsContact C-N 3.27Å; R116-H118 PolarHBondContact O-N 3.34Å; R116-I119 PolarHBondContact O-N 3.35Å; R116-I119 VanDerWaalsContact O-N 3.1Å; R116-D120 WeakPolarHBondContact O-CB 3.42Å; R116-D120 PolarHBondContact O-N 3.33Å
117	V	74.5	Confident	75.3	Confident	28 Å²	28	64.1 Å²	64.1	17%	0.17	35%	0.351	C	S	.	.	H	α-helix	trans	-57.8	-42.7	176	174.3	0	0	0	0	111.6	T113 L115 D120 S121 S139 T140	T113-V117 WeakPolarHBondContact O-CG2 3.47Å; T113-V117 PolarHBondContact O-N 2.8Å; T113-V117 VanDerWaalsContact O-N 3.08Å; L115-V117 PolarHBondContact O-N 3.28Å; V117-D120 PolarHBondContact O-N 3.28Å; V117-S121 VanDerWaalsContact O-CB 3.25Å; V117-S121 WeakPolarHBondContact O-CB 3.21Å; V117-S121 PolarHBondContact O-N 3.11Å; V117-S121 PolarHBondContact O-OG 3.46Å; V117-S139 WeakPolarHBondContact CG2-O 3.48Å; V117-T140 HydrophobicContact CG2-CG2 4.4Å
118	H	80.4	Confident	74.9	Confident	16 Å²	16	59.7 Å²	59.7	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-46.4	176.1	163.1	68.4	0	0	0	111.8	C102 C105 F109 S114 L115 R116 S121 V122 H123	C102-H118 VanDerWaalsContact SG-CD2 3.59Å; C102-H118 PolarHBondContact SG-NE2 2.84Å; C102-H118 VanDerWaalsContact SG-NE2 3.35Å; C105-H118 VanDerWaalsContact SG-CE1 3.51Å; C105-H118 PolarHBondContact SG-NE2 3.02Å; F109-H118 HydrophobicContact CD1-CB 4.35Å; F109-H118 HydrophobicContact CE1-CB 3.59Å; F109-H118 AromaticContact CE1-CG 3.85Å; F109-H118 HydrophobicContact CE2-CB 3.89Å; F109-H118 AromaticContact CE2-CD2 3.37Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.42Å; F109-H118 AromaticContact CE2-CG 3.53Å; F109-H118 AromaticContact CE2-NE2 3.95Å; F109-H118 HydrophobicContact CZ-CB 3.35Å; F109-H118 AromaticContact CZ-CD2 3.44Å; F109-H118 VanDerWaalsContact CZ-CD2 3.44Å; F109-H118 WeakPolarHBondContact CZ-CD2 3.49Å; F109-H118 AromaticContact CZ-CE1 3.99Å; F109-H118 AromaticContact CZ-CG 3.08Å; F109-H118 AromaticContact CZ-ND1 3.48Å; F109-H118 WeakPolarHBondContact CZ-ND1 3.34Å; F109-H118 AromaticContact CZ-NE2 3.96Å; S114-H118 WeakPolarHBondContact O-CB 3.35Å; S114-H118 PolarHBondContact O-N 3.45Å; L115-H118 WeakPolarHBondContact O-CB 3.26Å; L115-H118 PolarHBondContact O-N 3.14Å; R116-H118 VanDerWaalsContact C-N 3.27Å; R116-H118 PolarHBondContact O-N 3.34Å; H118-S121 PolarHBondContact O-N 3.34Å; H118-S121 PolarHBondContact O-OG 2.89Å; H118-V122 WeakPolarHBondContact ND1-CG2 3.41Å; H118-V122 VanDerWaalsContact O-CB 3.24Å; H118-V122 WeakPolarHBondContact O-CB 3.37Å; H118-V122 WeakPolarHBondContact O-CG2 3.37Å; H118-V122 PolarHBondContact O-N 2.98Å; H118-H123 AromaticContact CE1-NE2 3.87Å; H118-H123 AromaticContact NE2-CD2 3.76Å; H118-H123 AromaticContact NE2-NE2 3.36Å; H118-H123 PolarHBondContact NE2-NE2 2.87Å
119	I	78.1	Confident	74.6	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-62.7	-47.6	178.2	-76.6	167.9	0	0	0	110.6	V53 P103 L115 R116 S121 H123 H124	V53-I119 HydrophobicContact CB-CD1 4.44Å; V53-I119 HydrophobicContact CG1-CB 4.25Å; V53-I119 HydrophobicContact CG1-CD1 3.42Å; V53-I119 VanDerWaalsContact CG1-CD1 3.42Å; V53-I119 HydrophobicContact CG1-CG1 4.42Å; V53-I119 HydrophobicContact CG1-CG2 4.07Å; P103-I119 HydrophobicContact CG-CD1 4.42Å; L115-I119 HydrophobicContact CD1-CD1 3.69Å; L115-I119 HydrophobicContact CD1-CG1 4.04Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 3.83Å; L115-I119 PolarHBondContact O-N 3.28Å; R116-I119 PolarHBondContact O-N 3.35Å; R116-I119 VanDerWaalsContact O-N 3.1Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.19Å; I119-H123 CarbonylContact O-C 3.53Å; I119-H123 WeakPolarHBondContact O-CA 3.14Å; I119-H123 WeakPolarHBondContact O-CB 3.07Å; I119-H123 PolarHBondContact O-N 3.28Å; I119-H124 WeakPolarHBondContact CG2-CD2 3.45Å; I119-H124 WeakPolarHBondContact CG2-NE2 3.4Å; I119-H124 PolarHBondContact O-CD2 3.29Å; I119-H124 PolarHBondContact O-N 2.89Å
120	D	73.3	Confident	74.8	Confident	23 Å²	23	59.2 Å²	59.2	12%	0.123	33%	0.327	C	S	.	.	I	π-helix	trans	-62.4	-37.9	179.3	-75.5	-30	0	0	0	113.2	R116 V117 H124 G125 R127	R116-D120 WeakPolarHBondContact O-CB 3.42Å; R116-D120 PolarHBondContact O-N 3.33Å; V117-D120 PolarHBondContact O-N 3.28Å; D120-H124 CarbonylContact O-C 3.19Å; D120-G125 PolarHBondContact O-N 3.11Å; D120-R127 HydrophobicContact CB-CB 3.85Å; D120-R127 WeakPolarHBondContact OD1-CD 3.44Å
121	S	73	Confident	75.2	Confident	51 Å²	51	54.9 Å²	54.9	36%	0.357	30%	0.299	S	S	.	.	I	π-helix	trans	-82.1	-40.5	-178.4	58.3	0	0	0	0	113.8	V117 H118 I119	V117-S121 VanDerWaalsContact O-CB 3.25Å; V117-S121 WeakPolarHBondContact O-CB 3.21Å; V117-S121 PolarHBondContact O-N 3.11Å; V117-S121 PolarHBondContact O-OG 3.46Å; H118-S121 PolarHBondContact O-N 3.34Å; H118-S121 PolarHBondContact O-OG 2.89Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.19Å
122	V	76	Confident	75.6	Confident	90 Å²	90	60.7 Å²	60.7	55%	0.545	33%	0.325	S	S	.	.	I	π-helix	trans	-96.7	-35.5	-171.9	-178.9	0	0	0	0	112	H118	H118-V122 WeakPolarHBondContact ND1-CG2 3.41Å; H118-V122 VanDerWaalsContact O-CB 3.24Å; H118-V122 WeakPolarHBondContact O-CB 3.37Å; H118-V122 WeakPolarHBondContact O-CG2 3.37Å; H118-V122 PolarHBondContact O-N 2.98Å
123	H	77.6	Confident	76	Confident	65 Å²	65	63.4 Å²	63.4	30%	0.301	33%	0.329	S	S	.	.	I	π-helix	trans	-105.8	-36.2	-172.2	-63	-55.2	0	0	0	113.4	C102 N104 H118 I119	C102-H123 PolarHBondContact SG-NE2 3.37Å; N104-H123 WeakPolarHBondContact CB-NE2 3.39Å; H118-H123 AromaticContact CE1-NE2 3.87Å; H118-H123 AromaticContact NE2-CD2 3.76Å; H118-H123 AromaticContact NE2-NE2 3.36Å; H118-H123 PolarHBondContact NE2-NE2 2.87Å; I119-H123 CarbonylContact O-C 3.53Å; I119-H123 WeakPolarHBondContact O-CA 3.14Å; I119-H123 WeakPolarHBondContact O-CB 3.07Å; I119-H123 PolarHBondContact O-N 3.28Å
124	H	70.3	Confident	76.7	Confident	64 Å²	64	61 Å²	61	30%	0.296	32%	0.316	S	S	.	.	S	Bend	trans	-103.3	-9.6	-178.6	-64	-97.7	0	0	0	114.4	I119 D120 N126	I119-H124 WeakPolarHBondContact CG2-CD2 3.45Å; I119-H124 WeakPolarHBondContact CG2-NE2 3.4Å; I119-H124 PolarHBondContact O-CD2 3.29Å; I119-H124 PolarHBondContact O-N 2.89Å; D120-H124 CarbonylContact O-C 3.19Å; H124-N126 PolarHBondContact O-N 2.85Å
125	G	60	Low	77.1	Confident	35 Å²	35	64.4 Å²	64.4	36%	0.361	33%	0.328	S	S	.	.	S	Bend	trans	64.5	-15.9	170	0	0	0	0	0	117.7	D120	D120-G125 PolarHBondContact O-N 3.11Å
126	N	58.7	Low	77.2	Confident	150 Å²	150	70.6 Å²	70.6	80%	0.802	36%	0.355	S	S	*	.	S	Bend	trans	-135.6	4.6	-158.7	-72.3	-28.3	0	0	0	115.8	H124	H124-N126 PolarHBondContact O-N 2.85Å
127	R	66.1	Low	77.6	Confident	139 Å²	139	71.7 Å²	71.7	53%	0.525	36%	0.362	S	S	.	.			trans	-110.1	5.4	-174.9	-76.2	-175.9	178	154.3	-3.9	116	D120 P129	D120-R127 HydrophobicContact CB-CB 3.85Å; D120-R127 WeakPolarHBondContact OD1-CD 3.44Å; R127-P129 WeakPolarHBondContact O-CD 3.1Å
128	I	72.4	Confident	77.9	Confident	34 Å²	34	72.2 Å²	72.2	17%	0.174	36%	0.362	C	S	.	.	S	Bend	trans	-77.1	126.6	178.1	52.4	-166	0	0	0	111.5	Q130 K137	I128-Q130 PolarHBondContact O-N 2.98Å; I128-K137 HydrophobicContact CD1-CB 3.73Å; I128-K137 HydrophobicContact CD1-CD 3.48Å; I128-K137 VanDerWaalsContact CD1-CD 3.48Å; I128-K137 HydrophobicContact CD1-CG 3.86Å; I128-K137 HydrophobicContact CG1-CB 3.95Å; I128-K137 HydrophobicContact CG1-CD 3.94Å; I128-K137 HydrophobicContact CG1-CG 3.91Å
129	P	76.9	Confident	77.6	Confident	33 Å²	33	74 Å²	74	21%	0.214	38%	0.376	C	S	.	.			trans	-52.3	129.7	174.5	-27.2	32.8	0	0	0	111.6	R127 K137 F138 L141 L144	R127-P129 WeakPolarHBondContact O-CD 3.1Å; P129-K137 CarbonylContact O-C 3.34Å; P129-K137 WeakPolarHBondContact O-CA 3.33Å; P129-F138 WeakPolarHBondContact CD-O 2.99Å; P129-F138 PolarHBondContact O-N 3.07Å; P129-L141 HydrophobicContact CG-CB 4.5Å; P129-L144 HydrophobicContact CB-CB 4.11Å; P129-L144 HydrophobicContact CB-CD2 3.69Å
130	Q	84.4	Confident	77.5	Confident	61 Å²	61	75.5 Å²	75.5	29%	0.285	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-119.5	143.3	-177.3	-173	173.6	-55.1	0	0	110.7	I128 M135 K136 K137 L144	I128-Q130 PolarHBondContact O-N 2.98Å; Q130-M135 PolarHBondContact NE2-SD 3.11Å; Q130-K136 CarbonylContact C-O 3.51Å; Q130-K136 WeakPolarHBondContact CA-O 3.33Å; Q130-K137 HydrophobicContact CB-CG 4.25Å; Q130-K137 HydrophobicContact CG-CG 4.08Å; Q130-K137 VanDerWaalsContact OE1-CE 3.25Å; Q130-L144 VanDerWaalsContact O-CD2 3.29Å; Q130-L144 WeakPolarHBondContact O-CD2 3.31Å
131	C	87.7	Confident	77.9	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.402	C	S	.	.			trans	-80	123.1	173.3	-179.6	0	0	0	0	110.5	Y133 M135 K136 F138 L144 H147 H152	C131-Y133 VanDerWaalsContact C-N 3.26Å; C131-Y133 PolarHBondContact O-N 3.11Å; C131-M135 WeakPolarHBondContact O-CA 3.48Å; C131-M135 PolarHBondContact O-N 2.98Å; C131-K136 PolarHBondContact N-O 3.49Å; C131-F138 HydrophobicContact CB-CE2 3.99Å; C131-L144 VanDerWaalsContact CA-CD1 3.48Å; C131-L144 HydrophobicContact CB-CD1 3.59Å; C131-H147 VanDerWaalsContact SG-CD2 3.58Å; C131-H147 PolarHBondContact SG-NE2 3.3Å; C131-H147 VanDerWaalsContact SG-NE2 3.36Å; C131-H152 VanDerWaalsContact SG-CD2 3.55Å; C131-H152 PolarHBondContact SG-NE2 2.93Å
132	D	87.8	Confident	78.3	Confident	140 Å²	140	80.6 Å²	80.6	75%	0.749	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-22.7	-179.2	-61.4	-32.2	0	0	0	113
133	Y	86.8	Confident	78.6	Confident	161 Å²	161	82.4 Å²	82.4	63%	0.631	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-31	179.8	-62.1	-76.3	0	0	0	113.9	C131 I148 H152	C131-Y133 VanDerWaalsContact C-N 3.26Å; C131-Y133 PolarHBondContact O-N 3.11Å; Y133-I148 HydrophobicContact CE2-CG2 4.03Å; Y133-H152 WeakPolarHBondContact CB-CE1 3.47Å; Y133-H152 HydrophobicContact CD2-CB 4.08Å; Y133-H152 AromaticContact CD2-CD2 3.81Å; Y133-H152 AromaticContact CD2-CG 3.79Å; Y133-H152 HydrophobicContact CE2-CB 4.41Å; Y133-H152 HydrophobicContact CG-CB 4.4Å; Y133-H152 AromaticContact CG-CG 3.88Å; Y133-H152 AromaticContact CG-ND1 3.95Å
134	C	90	Very high	79.1	Confident	48 Å²	48	80 Å²	80	32%	0.324	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	4.7	-174.8	69	0	0	0	0	114.8	K136 H147	C134-K136 PolarHBondContact O-N 3.14Å; C134-H147 PolarHBondContact SG-NE2 3.08Å
135	M	87	Confident	79.9	Confident	122 Å²	122	85 Å²	85	60%	0.601	42%	0.419	S	S	*	.			trans	59	15.7	178.7	-51.6	-60.4	-92.6	0	0	114.8	Q130 C131	Q130-M135 PolarHBondContact NE2-SD 3.11Å; C131-M135 WeakPolarHBondContact O-CA 3.48Å; C131-M135 PolarHBondContact O-N 2.98Å
136	K	84.4	Confident	81.2	Confident	130 Å²	130	86.8 Å²	86.8	57%	0.565	42%	0.418	S	S	*	.			trans	-72	137.4	174.3	-74.7	-179.1	-176	-70.3	0	110.9	Q130 C131 C134 F138	Q130-K136 CarbonylContact C-O 3.51Å; Q130-K136 WeakPolarHBondContact CA-O 3.33Å; C131-K136 PolarHBondContact N-O 3.49Å; C134-K136 PolarHBondContact O-N 3.14Å; K136-F138 HydrophobicContact CB-CE2 3.86Å; K136-F138 HydrophobicContact CB-CZ 4.06Å; K136-F138 WeakPolarHBondContact O-CD2 3.34Å; K136-F138 VanDerWaalsContact O-CE2 3.28Å; K136-F138 WeakPolarHBondContact O-CE2 3.43Å
137	K	83.8	Confident	82.7	Confident	115 Å²	115	80.5 Å²	80.5	50%	0.5	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-98.7	141.3	-179.1	-69.2	161.6	151.1	-166.5	0	111.1	I128 P129 Q130	I128-K137 HydrophobicContact CD1-CB 3.73Å; I128-K137 HydrophobicContact CD1-CD 3.48Å; I128-K137 VanDerWaalsContact CD1-CD 3.48Å; I128-K137 HydrophobicContact CD1-CG 3.86Å; I128-K137 HydrophobicContact CG1-CB 3.95Å; I128-K137 HydrophobicContact CG1-CD 3.94Å; I128-K137 HydrophobicContact CG1-CG 3.91Å; P129-K137 CarbonylContact O-C 3.34Å; P129-K137 WeakPolarHBondContact O-CA 3.33Å; Q130-K137 HydrophobicContact CB-CG 4.25Å; Q130-K137 HydrophobicContact CG-CG 4.08Å; Q130-K137 VanDerWaalsContact OE1-CE 3.25Å
138	F	80.4	Confident	83.8	Confident	40 Å²	40	75.7 Å²	75.7	18%	0.175	37%	0.368	C	S	.	.			trans	-124.2	152.3	-175.7	-65.9	-87.6	0	0	0	110.9	P129 C131 K136 L144 H147	P129-F138 WeakPolarHBondContact CD-O 2.99Å; P129-F138 PolarHBondContact O-N 3.07Å; C131-F138 HydrophobicContact CB-CE2 3.99Å; K136-F138 HydrophobicContact CB-CE2 3.86Å; K136-F138 HydrophobicContact CB-CZ 4.06Å; K136-F138 WeakPolarHBondContact O-CD2 3.34Å; K136-F138 VanDerWaalsContact O-CE2 3.28Å; K136-F138 WeakPolarHBondContact O-CE2 3.43Å; F138-L144 HydrophobicContact CB-CB 4.07Å; F138-L144 HydrophobicContact CD2-CB 3.9Å; F138-L144 HydrophobicContact CD2-CD1 3.53Å; F138-L144 HydrophobicContact CD2-CG 4.29Å; F138-L144 HydrophobicContact CE2-CD1 3.72Å; F138-L144 HydrophobicContact CG-CB 4.03Å; F138-L144 HydrophobicContact CG-CD1 4.46Å; F138-H147 HydrophobicContact CD1-CB 4.37Å; F138-H147 HydrophobicContact CE1-CB 3.51Å; F138-H147 AromaticContact CE1-CG 3.78Å; F138-H147 HydrophobicContact CE2-CB 4.04Å; F138-H147 AromaticContact CE2-CD2 3.49Å; F138-H147 VanDerWaalsContact CE2-CD2 3.49Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.34Å; F138-H147 AromaticContact CE2-CG 3.76Å; F138-H147 HydrophobicContact CZ-CB 3.34Å; F138-H147 AromaticContact CZ-CD2 3.31Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.37Å; F138-H147 AromaticContact CZ-CG 3.1Å; F138-H147 AromaticContact CZ-ND1 3.59Å; F138-H147 AromaticContact CZ-NE2 3.86Å
139	S	75.9	Confident	84.6	Confident	53 Å²	53	75.5 Å²	75.5	37%	0.371	37%	0.37	S	S	.	.	S	Bend	trans	-69	-34.1	177.5	48.5	0	0	0	0	112.6	V117 Y143	V117-S139 WeakPolarHBondContact CG2-O 3.48Å; S139-Y143 WeakPolarHBondContact OG-CD2 3.31Å
140	T	76	Confident	85.2	Confident	32 Å²	32	75.1 Å²	75.1	20%	0.196	37%	0.367	C	S	.	.	S	Bend	trans	-139.3	157.8	-179.2	72.3	0	0	0	0	111.1	T113 V117 S142 Y143 L144	T113-T140 HydrophobicContact CG2-CG2 4.5Å; V117-T140 HydrophobicContact CG2-CG2 4.4Å; T140-S142 PolarHBondContact O-N 2.81Å; T140-Y143 HydrophobicContact CG2-CD2 4.22Å; T140-Y143 PolarHBondContact O-N 3.45Å; T140-Y143 WeakPolarHBondContact OG1-CD2 3.49Å; T140-Y143 PolarHBondContact OG1-N 3.13Å; T140-L144 PolarHBondContact O-N 2.77Å; T140-L144 VanDerWaalsContact O-N 3.11Å
141	L	81.1	Confident	85.4	Confident	91 Å²	91	76.6 Å²	76.6	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-34	175.7	-172.7	63.3	0	0	0	111.6	P129 L144 R145	P129-L141 HydrophobicContact CG-CB 4.5Å; L141-L144 HydrophobicContact CD1-CD2 4.18Å; L141-L144 PolarHBondContact O-N 3.25Å; L141-R145 WeakPolarHBondContact O-CG 3.34Å; L141-R145 PolarHBondContact O-N 3.44Å
142	S	80.5	Confident	85.5	Confident	89 Å²	89	79.9 Å²	79.9	62%	0.622	40%	0.396	S	S	*	.	H	α-helix	trans	-62.4	-42.2	176.3	-52.3	0	0	0	0	112.1	T140 R145 M146	T140-S142 PolarHBondContact O-N 2.81Å; S142-R145 PolarHBondContact O-N 3.04Å; S142-M146 WeakPolarHBondContact O-CB 3.45Å; S142-M146 PolarHBondContact O-N 3.38Å
143	Y	83.8	Confident	85.7	Confident	128 Å²	128	78.5 Å²	78.5	50%	0.502	39%	0.385	S	S	.	.	H	α-helix	trans	-68.3	-37.3	175.4	-75.7	-61.4	0	0	0	112.2	S139 T140 M146 H147	S139-Y143 WeakPolarHBondContact OG-CD2 3.31Å; T140-Y143 HydrophobicContact CG2-CD2 4.22Å; T140-Y143 PolarHBondContact O-N 3.45Å; T140-Y143 WeakPolarHBondContact OG1-CD2 3.49Å; T140-Y143 PolarHBondContact OG1-N 3.13Å; Y143-M146 HydrophobicContact CD1-CE 3.72Å; Y143-M146 HydrophobicContact CE1-CE 4.19Å; Y143-M146 PolarHBondContact O-N 3.26Å; Y143-H147 WeakPolarHBondContact O-CB 3.43Å; Y143-H147 PolarHBondContact O-N 3.09Å
144	L	88	Confident	85.7	Confident	15 Å²	15	73 Å²	73	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-48	173.2	172.8	59.5	0	0	0	111.6	P129 Q130 C131 F138 T140 L141 M146 H147 I148	P129-L144 HydrophobicContact CB-CB 4.11Å; P129-L144 HydrophobicContact CB-CD2 3.69Å; Q130-L144 VanDerWaalsContact O-CD2 3.29Å; Q130-L144 WeakPolarHBondContact O-CD2 3.31Å; C131-L144 VanDerWaalsContact CA-CD1 3.48Å; C131-L144 HydrophobicContact CB-CD1 3.59Å; F138-L144 HydrophobicContact CB-CB 4.07Å; F138-L144 HydrophobicContact CD2-CB 3.9Å; F138-L144 HydrophobicContact CD2-CD1 3.53Å; F138-L144 HydrophobicContact CD2-CG 4.29Å; F138-L144 HydrophobicContact CE2-CD1 3.72Å; F138-L144 HydrophobicContact CG-CB 4.03Å; F138-L144 HydrophobicContact CG-CD1 4.46Å; T140-L144 PolarHBondContact O-N 2.77Å; T140-L144 VanDerWaalsContact O-N 3.11Å; L141-L144 HydrophobicContact CD1-CD2 4.18Å; L141-L144 PolarHBondContact O-N 3.25Å; L144-M146 PolarHBondContact O-N 3.02Å; L144-H147 WeakPolarHBondContact O-CB 3.29Å; L144-H147 PolarHBondContact O-N 3.37Å; L144-H147 VanDerWaalsContact O-N 3.11Å; L144-I148 HydrophobicContact CD1-CD1 3.86Å; L144-I148 HydrophobicContact CD1-CG1 4.07Å; L144-I148 HydrophobicContact CG-CD1 3.98Å; L144-I148 WeakPolarHBondContact O-CG1 3.28Å; L144-I148 PolarHBondContact O-N 2.77Å
145	R	87.4	Confident	85.5	Confident	169 Å²	169	72.9 Å²	72.9	64%	0.638	37%	0.372	S	S	*	.	H	α-helix	trans	-61	-42.8	177.2	-72.9	178.7	179.8	176	0.5	112.2	L141 S142 H147 I148 S149	L141-R145 WeakPolarHBondContact O-CG 3.34Å; L141-R145 PolarHBondContact O-N 3.44Å; S142-R145 PolarHBondContact O-N 3.04Å; R145-H147 VanDerWaalsContact C-N 3.3Å; R145-H147 PolarHBondContact O-N 3.26Å; R145-I148 PolarHBondContact O-N 3.49Å; R145-S149 WeakPolarHBondContact O-CB 3.46Å; R145-S149 PolarHBondContact O-N 3.36Å; R145-S149 PolarHBondContact O-OG 3.29Å
146	M	87	Confident	85.4	Confident	72 Å²	72	72.6 Å²	72.6	36%	0.355	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-40.4	173.9	-176.7	-177.9	70	0	0	111.2	S142 Y143 L144 S149 T150 Q169	S142-M146 WeakPolarHBondContact O-CB 3.45Å; S142-M146 PolarHBondContact O-N 3.38Å; Y143-M146 HydrophobicContact CD1-CE 3.72Å; Y143-M146 HydrophobicContact CE1-CE 4.19Å; Y143-M146 PolarHBondContact O-N 3.26Å; L144-M146 PolarHBondContact O-N 3.02Å; M146-S149 WeakPolarHBondContact CA-OG 3.44Å; M146-S149 PolarHBondContact O-OG 3.34Å; M146-T150 HydrophobicContact CG-CG2 4.22Å; M146-T150 WeakPolarHBondContact O-CB 3.44Å; M146-T150 VanDerWaalsContact O-CG2 3.22Å; M146-T150 WeakPolarHBondContact O-CG2 3.42Å; M146-T150 PolarHBondContact O-N 3.47Å; M146-T150 PolarHBondContact O-OG1 3.48Å; M146-Q169 HydrophobicContact SD-CG 4.4Å
147	H	88.7	Confident	85.5	Confident	18 Å²	18	67.4 Å²	67.4	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-49.4	175.9	164.2	72.7	0	0	0	112.1	C131 C134 F138 Y143 L144 R145 S149 T150 V151 H152	C131-H147 VanDerWaalsContact SG-CD2 3.58Å; C131-H147 PolarHBondContact SG-NE2 3.3Å; C131-H147 VanDerWaalsContact SG-NE2 3.36Å; C134-H147 PolarHBondContact SG-NE2 3.08Å; F138-H147 HydrophobicContact CD1-CB 4.37Å; F138-H147 HydrophobicContact CE1-CB 3.51Å; F138-H147 AromaticContact CE1-CG 3.78Å; F138-H147 HydrophobicContact CE2-CB 4.04Å; F138-H147 AromaticContact CE2-CD2 3.49Å; F138-H147 VanDerWaalsContact CE2-CD2 3.49Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.34Å; F138-H147 AromaticContact CE2-CG 3.76Å; F138-H147 HydrophobicContact CZ-CB 3.34Å; F138-H147 AromaticContact CZ-CD2 3.31Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.37Å; F138-H147 AromaticContact CZ-CG 3.1Å; F138-H147 AromaticContact CZ-ND1 3.59Å; F138-H147 AromaticContact CZ-NE2 3.86Å; Y143-H147 WeakPolarHBondContact O-CB 3.43Å; Y143-H147 PolarHBondContact O-N 3.09Å; L144-H147 WeakPolarHBondContact O-CB 3.29Å; L144-H147 PolarHBondContact O-N 3.37Å; L144-H147 VanDerWaalsContact O-N 3.11Å; R145-H147 VanDerWaalsContact C-N 3.3Å; R145-H147 PolarHBondContact O-N 3.26Å; H147-S149 PolarHBondContact O-N 3.25Å; H147-T150 PolarHBondContact O-N 3.34Å; H147-V151 WeakPolarHBondContact ND1-CG2 3.41Å; H147-V151 VanDerWaalsContact O-CB 3.26Å; H147-V151 WeakPolarHBondContact O-CB 3.37Å; H147-V151 WeakPolarHBondContact O-CG2 3.38Å; H147-V151 PolarHBondContact O-N 2.84Å; H147-H152 AromaticContact CE1-NE2 3.77Å; H147-H152 AromaticContact NE2-CD2 3.6Å; H147-H152 AromaticContact NE2-NE2 3.25Å; H147-H152 PolarHBondContact NE2-NE2 3.49Å
148	I	90	Very high	85.6	Confident	38 Å²	38	64.2 Å²	64.2	20%	0.195	33%	0.331	C	S	.	.	I	π-helix	trans	-57.7	-52.2	179.2	-66.9	167.5	0	0	0	110.2	Y133 L144 R145 T150 H152 E153	Y133-I148 HydrophobicContact CE2-CG2 4.03Å; L144-I148 HydrophobicContact CD1-CD1 3.86Å; L144-I148 HydrophobicContact CD1-CG1 4.07Å; L144-I148 HydrophobicContact CG-CD1 3.98Å; L144-I148 WeakPolarHBondContact O-CG1 3.28Å; L144-I148 PolarHBondContact O-N 2.77Å; R145-I148 PolarHBondContact O-N 3.49Å; I148-T150 VanDerWaalsContact C-N 3.34Å; I148-T150 PolarHBondContact O-N 2.91Å; I148-H152 WeakPolarHBondContact O-CA 3.24Å; I148-H152 WeakPolarHBondContact O-CB 3.25Å; I148-H152 PolarHBondContact O-N 2.96Å; I148-E153 HydrophobicContact CG2-CG 4.35Å; I148-E153 PolarHBondContact O-N 2.67Å
149	S	88.4	Confident	85.9	Confident	30 Å²	30	65.3 Å²	65.3	21%	0.21	34%	0.34	C	S	.	.	I	π-helix	trans	-61.1	-39.6	-179.1	53.2	0	0	0	0	113.4	R145 M146 H147 E153 G154 I155	R145-S149 WeakPolarHBondContact O-CB 3.46Å; R145-S149 PolarHBondContact O-N 3.36Å; R145-S149 PolarHBondContact O-OG 3.29Å; M146-S149 WeakPolarHBondContact CA-OG 3.44Å; M146-S149 PolarHBondContact O-OG 3.34Å; H147-S149 PolarHBondContact O-N 3.25Å; S149-E153 VanDerWaalsContact CA-OE2 3.31Å; S149-E153 WeakPolarHBondContact CA-OE2 3.4Å; S149-E153 CarbonylContact O-C 3.15Å; S149-E153 WeakPolarHBondContact O-CB 3.48Å; S149-G154 PolarHBondContact O-N 3.35Å; S149-G154 VanDerWaalsContact O-N 3.14Å; S149-I155 WeakPolarHBondContact O-CB 3.44Å; S149-I155 PolarHBondContact O-N 3.47Å
150	T	89.5	Confident	86.4	Confident	26 Å²	26	62.8 Å²	62.8	16%	0.16	32%	0.323	C	S	.	.	I	π-helix	trans	-87.8	-29.7	-174.1	60	0	0	0	0	114.2	M146 H147 I148 T168	M146-T150 HydrophobicContact CG-CG2 4.22Å; M146-T150 WeakPolarHBondContact O-CB 3.44Å; M146-T150 VanDerWaalsContact O-CG2 3.22Å; M146-T150 WeakPolarHBondContact O-CG2 3.42Å; M146-T150 PolarHBondContact O-N 3.47Å; M146-T150 PolarHBondContact O-OG1 3.48Å; H147-T150 PolarHBondContact O-N 3.34Å; I148-T150 VanDerWaalsContact C-N 3.34Å; I148-T150 PolarHBondContact O-N 2.91Å; T150-T168 HydrophobicContact CG2-CG2 4.16Å
151	V	89.7	Confident	86.9	Confident	91 Å²	91	65.8 Å²	65.8	55%	0.552	34%	0.338	S	S	*	.	I	π-helix	trans	-103	-42.1	-174	-179.5	0	0	0	0	112.2	H147	H147-V151 WeakPolarHBondContact ND1-CG2 3.41Å; H147-V151 VanDerWaalsContact O-CB 3.26Å; H147-V151 WeakPolarHBondContact O-CB 3.37Å; H147-V151 WeakPolarHBondContact O-CG2 3.38Å; H147-V151 PolarHBondContact O-N 2.84Å
152	H	90.3	Very high	87.2	Confident	70 Å²	70	66.2 Å²	66.2	32%	0.324	34%	0.339	S	S	.	.	I	π-helix	trans	-94.7	-41.4	-176.3	-66.8	-64.2	0	0	0	112.1	C131 Y133 H147 I148	C131-H152 VanDerWaalsContact SG-CD2 3.55Å; C131-H152 PolarHBondContact SG-NE2 2.93Å; Y133-H152 WeakPolarHBondContact CB-CE1 3.47Å; Y133-H152 HydrophobicContact CD2-CB 4.08Å; Y133-H152 AromaticContact CD2-CD2 3.81Å; Y133-H152 AromaticContact CD2-CG 3.79Å; Y133-H152 HydrophobicContact CE2-CB 4.41Å; Y133-H152 HydrophobicContact CG-CB 4.4Å; Y133-H152 AromaticContact CG-CG 3.88Å; Y133-H152 AromaticContact CG-ND1 3.95Å; H147-H152 AromaticContact CE1-NE2 3.77Å; H147-H152 AromaticContact NE2-CD2 3.6Å; H147-H152 AromaticContact NE2-NE2 3.25Å; H147-H152 PolarHBondContact NE2-NE2 3.49Å; I148-H152 WeakPolarHBondContact O-CA 3.24Å; I148-H152 WeakPolarHBondContact O-CB 3.25Å; I148-H152 PolarHBondContact O-N 2.96Å
153	E	90.6	Very high	87.6	Confident	111 Å²	111	64.4 Å²	64.4	52%	0.519	33%	0.326	S	S	.	.	S	Bend	trans	-88.6	-15.8	177.4	-55.9	178.3	154.6	0	0	112.7	I148 S149 I155	I148-E153 HydrophobicContact CG2-CG 4.35Å; I148-E153 PolarHBondContact O-N 2.67Å; S149-E153 VanDerWaalsContact CA-OE2 3.31Å; S149-E153 WeakPolarHBondContact CA-OE2 3.4Å; S149-E153 CarbonylContact O-C 3.15Å; S149-E153 WeakPolarHBondContact O-CB 3.48Å; E153-I155 HydrophobicContact CB-CD1 4.04Å; E153-I155 HydrophobicContact CB-CG1 3.8Å; E153-I155 PolarHBondContact O-N 3.33Å; E153-I155 WeakPolarHBondContact OE2-CD1 3.39Å
154	G	86.5	Confident	87.8	Confident	44 Å²	44	66.2 Å²	66.2	45%	0.454	34%	0.339	S	S	.	.			trans	65.1	23.1	179.7	0	0	0	0	0	114.1	S149 R156	S149-G154 PolarHBondContact O-N 3.35Å; S149-G154 VanDerWaalsContact O-N 3.14Å; G154-R156 WeakPolarHBondContact O-CG 3.49Å; G154-R156 PolarHBondContact O-N 3.42Å
155	I	86	Confident	87.7	Confident	46 Å²	46	71.3 Å²	71.3	24%	0.236	36%	0.36	C	S	.	.			trans	-66.8	123.5	-177.7	-62.3	179	0	0	0	110.2	S149 E153 A157 P229	S149-I155 WeakPolarHBondContact O-CB 3.44Å; S149-I155 PolarHBondContact O-N 3.47Å; E153-I155 HydrophobicContact CB-CD1 4.04Å; E153-I155 HydrophobicContact CB-CG1 3.8Å; E153-I155 PolarHBondContact O-N 3.33Å; E153-I155 WeakPolarHBondContact OE2-CD1 3.39Å; I155-A157 HydrophobicContact CG2-CB 4.12Å; I155-P229 HydrophobicContact CD1-CG 4.05Å
156	R	86.2	Confident	87.7	Confident	117 Å²	117	65.2 Å²	65.2	44%	0.442	34%	0.344	S	S	.	.			trans	-116.9	67.3	176.3	-55.3	-177.6	77.2	86.9	-1.2	109.9	G154 Y158 S166 Y167 T168	G154-R156 WeakPolarHBondContact O-CG 3.49Å; G154-R156 PolarHBondContact O-N 3.42Å; R156-Y158 PolarHBondContact O-N 2.76Å; R156-S166 WeakPolarHBondContact CB-OG 3.24Å; R156-S166 VanDerWaalsContact CD-OG 3.3Å; R156-S166 WeakPolarHBondContact CD-OG 3.39Å; R156-S166 VanDerWaalsContact CZ-O 3.25Å; R156-S166 PolarHBondContact NE-O 3.1Å; R156-S166 PolarHBondContact NE-OG 3.17Å; R156-S166 PolarHBondContact NH2-O 3.48Å; R156-Y167 CarbonylContact C-O 3.46Å; R156-Y167 VanDerWaalsContact CA-O 3.23Å; R156-Y167 WeakPolarHBondContact CA-O 3.47Å; R156-T168 HydrophobicContact CG-CG2 4.01Å
157	A	85.2	Confident	87.6	Confident	20 Å²	20	63.7 Å²	63.7	17%	0.165	34%	0.335	C	S	.	.			trans	-62.7	-15.5	-171.7	0	0	0	0	0	114.6	I155 Y167	I155-A157 HydrophobicContact CG2-CB 4.12Å; A157-Y167 PolarHBondContact N-O 2.98Å
158	Y	86.5	Confident	87.5	Confident	49 Å²	49	64.6 Å²	64.6	19%	0.192	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	101.2	-172.5	-57.3	-80.7	0	0	0	110.9	R156 S166 Y167 K170	R156-Y158 PolarHBondContact O-N 2.76Å; Y158-S166 CarbonylContact O-C 3.59Å; Y158-S166 WeakPolarHBondContact O-CA 3.45Å; Y158-Y167 WeakPolarHBondContact CB-O 3.37Å; Y158-Y167 WeakPolarHBondContact CD2-O 3.09Å; Y158-Y167 PolarHBondContact N-O 3.02Å; Y158-Y167 VanDerWaalsContact N-O 3.08Å; Y158-Y167 PolarHBondContact O-N 3.16Å; Y158-K170 HydrophobicContact CD1-CB 3.98Å; Y158-K170 HydrophobicContact CE1-CB 3.58Å; Y158-K170 HydrophobicContact CE1-CD 4.49Å; Y158-K170 HydrophobicContact CE1-CG 4.29Å; Y158-K170 HydrophobicContact CE2-CB 4.44Å; Y158-K170 VanDerWaalsContact CE2-N 3.34Å
159	V	86.4	Confident	87.2	Confident	62 Å²	62	66.3 Å²	66.3	38%	0.376	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.8	-177.8	-174.3	0	0	0	0	111.1	K165	V159-K165 CarbonylContact C-O 3.32Å
160	C	87.3	Confident	87.1	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.007	35%	0.351	C	S	.	.			trans	-78.9	118.4	169.2	179.2	0	0	0	0	110.2	I162 C163 E164 K165 L173 H176 H181	C160-I162 PolarHBondContact O-N 3.32Å; C160-I162 VanDerWaalsContact O-N 3.13Å; C160-I162 PolarHBondContact SG-N 3.18Å; C160-I162 VanDerWaalsContact SG-N 3.44Å; C160-C163 VanDerWaalsContact SG-SG 3.65Å; C160-E164 WeakPolarHBondContact O-CA 3.36Å; C160-E164 PolarHBondContact O-N 2.84Å; C160-K165 WeakPolarHBondContact CB-O 3.43Å; C160-K165 PolarHBondContact N-O 2.69Å; C160-L173 HydrophobicContact CB-CD1 3.88Å; C160-H176 WeakPolarHBondContact CB-NE2 3.09Å; C160-H176 PolarHBondContact SG-NE2 3.33Å; C160-H181 PolarHBondContact SG-NE2 3.35Å; C160-H181 VanDerWaalsContact SG-NE2 3.39Å
161	N	86.4	Confident	87	Confident	95 Å²	95	72.7 Å²	72.7	51%	0.508	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3	179.7	-67.6	-33.4	0	0	0	114.6	L221	N161-L221 PolarHBondContact ND2-O 3.42Å
162	I	86.8	Confident	87	Confident	100 Å²	100	70.1 Å²	70.1	51%	0.513	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-36.6	179.3	-56.9	169.4	0	0	0	111.5	C160 L177 H181 I183	C160-I162 PolarHBondContact O-N 3.32Å; C160-I162 VanDerWaalsContact O-N 3.13Å; C160-I162 PolarHBondContact SG-N 3.18Å; C160-I162 VanDerWaalsContact SG-N 3.44Å; I162-L177 HydrophobicContact CD1-CD2 4.37Å; I162-H181 HydrophobicContact CD1-CB 3.82Å; I162-H181 WeakPolarHBondContact CG2-CE1 3.32Å; I162-H181 WeakPolarHBondContact CG2-ND1 3.47Å; I162-I183 HydrophobicContact CD1-CD1 3.43Å; I162-I183 VanDerWaalsContact CD1-CD1 3.43Å
163	C	89.8	Confident	86.9	Confident	50 Å²	50	67 Å²	67	34%	0.338	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	8.7	-179	68.4	0	0	0	0	114.1	C160 K165 H176 H181	C160-C163 VanDerWaalsContact SG-SG 3.65Å; C163-K165 PolarHBondContact O-N 3.2Å; C163-H176 PolarHBondContact SG-CE1 3.04Å; C163-H176 PolarHBondContact SG-NE2 3.24Å; C163-H181 PolarHBondContact SG-NE2 3.36Å; C163-H181 VanDerWaalsContact SG-NE2 3.44Å
164	E	88	Confident	86.8	Confident	167 Å²	167	65.4 Å²	65.4	78%	0.78	34%	0.335	S	S	*	.			trans	60.3	10.1	176	-58.6	-179.8	177.3	0	0	115.2	C160 S166	C160-E164 WeakPolarHBondContact O-CA 3.36Å; C160-E164 PolarHBondContact O-N 2.84Å; E164-S166 PolarHBondContact O-N 3.13Å
165	K	84.8	Confident	86.9	Confident	121 Å²	121	69.1 Å²	69.1	53%	0.526	34%	0.339	S	S	.	.			trans	-67.5	129.1	174.6	-71.6	-177.5	-177.9	-179.8	0	110.9	V159 C160 C163 Y167	V159-K165 CarbonylContact C-O 3.32Å; C160-K165 WeakPolarHBondContact CB-O 3.43Å; C160-K165 PolarHBondContact N-O 2.69Å; C163-K165 PolarHBondContact O-N 3.2Å; K165-Y167 HydrophobicContact CB-CE2 3.88Å; K165-Y167 WeakPolarHBondContact O-CE2 3.2Å
166	S	86.9	Confident	87.1	Confident	42 Å²	42	67.6 Å²	67.6	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148.1	178.5	65.9	0	0	0	0	112.4	R156 Y158 E164	R156-S166 WeakPolarHBondContact CB-OG 3.24Å; R156-S166 VanDerWaalsContact CD-OG 3.3Å; R156-S166 WeakPolarHBondContact CD-OG 3.39Å; R156-S166 VanDerWaalsContact CZ-O 3.25Å; R156-S166 PolarHBondContact NE-O 3.1Å; R156-S166 PolarHBondContact NE-OG 3.17Å; R156-S166 PolarHBondContact NH2-O 3.48Å; Y158-S166 CarbonylContact O-C 3.59Å; Y158-S166 WeakPolarHBondContact O-CA 3.45Å; E164-S166 PolarHBondContact O-N 3.13Å
167	Y	86.2	Confident	87.3	Confident	39 Å²	39	62.5 Å²	62.5	15%	0.153	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.3	-177	-62.5	-89.3	0	0	0	110.4	R156 A157 Y158 K165 Q169 L173 H176	R156-Y167 CarbonylContact C-O 3.46Å; R156-Y167 VanDerWaalsContact CA-O 3.23Å; R156-Y167 WeakPolarHBondContact CA-O 3.47Å; A157-Y167 PolarHBondContact N-O 2.98Å; Y158-Y167 WeakPolarHBondContact CB-O 3.37Å; Y158-Y167 WeakPolarHBondContact CD2-O 3.09Å; Y158-Y167 PolarHBondContact N-O 3.02Å; Y158-Y167 VanDerWaalsContact N-O 3.08Å; Y158-Y167 PolarHBondContact O-N 3.16Å; K165-Y167 HydrophobicContact CB-CE2 3.88Å; K165-Y167 WeakPolarHBondContact O-CE2 3.2Å; Y167-Q169 VanDerWaalsContact C-N 3.34Å; Y167-L173 HydrophobicContact CD2-CB 4.01Å; Y167-L173 HydrophobicContact CD2-CD1 3.75Å; Y167-L173 HydrophobicContact CD2-CG 4.5Å; Y167-L173 HydrophobicContact CE2-CD1 3.99Å; Y167-L173 HydrophobicContact CG-CB 4.28Å; Y167-H176 HydrophobicContact CE1-CB 3.99Å; Y167-H176 HydrophobicContact CE2-CB 3.9Å; Y167-H176 AromaticContact CE2-CD2 3.56Å; Y167-H176 AromaticContact CE2-CG 3.74Å; Y167-H176 VanDerWaalsContact CZ-CB 3.46Å; Y167-H176 AromaticContact CZ-CD2 3.78Å; Y167-H176 AromaticContact CZ-CG 3.47Å; Y167-H176 VanDerWaalsContact CZ-CG 3.47Å; Y167-H176 WeakPolarHBondContact OH-CB 3.2Å; Y167-H176 PolarHBondContact OH-CD2 2.78Å; Y167-H176 PolarHBondContact OH-ND1 3.27Å; Y167-H176 VanDerWaalsContact OH-ND1 3.09Å
168	T	86.1	Confident	87.5	Confident	38 Å²	38	69.5 Å²	69.5	23%	0.233	34%	0.335	C	S	.	.	S	Bend	trans	-75.3	-22.5	177.8	50.7	0	0	0	0	113.1	T150 R156	T150-T168 HydrophobicContact CG2-CG2 4.16Å; R156-T168 HydrophobicContact CG-CG2 4.01Å
169	Q	84.1	Confident	87.7	Confident	74 Å²	74	72.4 Å²	72.4	35%	0.346	35%	0.353	S	S	.	.	S	Bend	trans	-136.6	144.4	-175.6	-63.9	179.8	2.2	0	0	111.8	M146 Y167 H171 S172 L173	M146-Q169 HydrophobicContact SD-CG 4.4Å; Y167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-H171 VanDerWaalsContact C-N 3.3Å; Q169-H171 PolarHBondContact O-N 3.1Å; Q169-S172 WeakPolarHBondContact O-CB 3.34Å; Q169-S172 PolarHBondContact O-N 3.49Å; Q169-S172 VanDerWaalsContact O-N 3.1Å; Q169-L173 PolarHBondContact O-N 2.83Å
170	K	85.2	Confident	87.8	Confident	61 Å²	61	72.8 Å²	72.8	27%	0.265	36%	0.359	S	S	.	.	H	α-helix	trans	-55.4	-41.9	176	-179.1	165.9	171.3	164	0	112.7	Y158 S172 L173 K174 L222 D224	Y158-K170 HydrophobicContact CD1-CB 3.98Å; Y158-K170 HydrophobicContact CE1-CB 3.58Å; Y158-K170 HydrophobicContact CE1-CD 4.49Å; Y158-K170 HydrophobicContact CE1-CG 4.29Å; Y158-K170 HydrophobicContact CE2-CB 4.44Å; Y158-K170 VanDerWaalsContact CE2-N 3.34Å; K170-S172 VanDerWaalsContact C-N 3.32Å; K170-S172 PolarHBondContact O-N 3.1Å; K170-L173 PolarHBondContact O-N 3.44Å; K170-K174 PolarHBondContact O-N 2.86Å; K170-L222 HydrophobicContact CD-CD2 3.77Å; K170-L222 HydrophobicContact CG-CD2 3.99Å; K170-D224 WeakPolarHBondContact CE-OD1 3.49Å; K170-D224 IonicContact NZ-OD1 2.67Å; K170-D224 PolarHBondContact NZ-OD1 3.3Å; K170-D224 IonicContact NZ-OD2 3.81Å; K170-D224 PolarHBondContact NZ-OD2 2.78Å
171	H	88	Confident	87.9	Confident	128 Å²	128	75.1 Å²	75.1	59%	0.593	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-42.4	177.8	173.2	73.9	0	0	0	111.8	Q169 L173 K174 K175	Q169-H171 VanDerWaalsContact C-N 3.3Å; Q169-H171 PolarHBondContact O-N 3.1Å; H171-L173 PolarHBondContact O-N 2.93Å; H171-K174 PolarHBondContact O-N 3.35Å; H171-K175 WeakPolarHBondContact O-CB 3.42Å; H171-K175 PolarHBondContact O-N 2.81Å
172	S	88.9	Confident	87.9	Confident	38 Å²	38	75.7 Å²	75.7	27%	0.266	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-41.8	177.7	-55.4	0	0	0	0	111.8	Q169 K170 K175 H176	Q169-S172 WeakPolarHBondContact O-CB 3.34Å; Q169-S172 PolarHBondContact O-N 3.49Å; Q169-S172 VanDerWaalsContact O-N 3.1Å; K170-S172 VanDerWaalsContact C-N 3.32Å; K170-S172 PolarHBondContact O-N 3.1Å; S172-K175 PolarHBondContact O-N 3.04Å; S172-H176 WeakPolarHBondContact O-CB 3.45Å; S172-H176 PolarHBondContact O-N 2.81Å
173	L	89.7	Confident	87.6	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-46.3	172.8	176.2	62.7	0	0	0	111.6	C160 Y167 Q169 K170 H171 K175 H176 L177 L222	C160-L173 HydrophobicContact CB-CD1 3.88Å; Y167-L173 HydrophobicContact CD2-CB 4.01Å; Y167-L173 HydrophobicContact CD2-CD1 3.75Å; Y167-L173 HydrophobicContact CD2-CG 4.5Å; Y167-L173 HydrophobicContact CE2-CD1 3.99Å; Y167-L173 HydrophobicContact CG-CB 4.28Å; Q169-L173 PolarHBondContact O-N 2.83Å; K170-L173 PolarHBondContact O-N 3.44Å; H171-L173 PolarHBondContact O-N 2.93Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 2.73Å; L173-H176 WeakPolarHBondContact O-CB 3.21Å; L173-H176 PolarHBondContact O-N 2.81Å; L173-L177 HydrophobicContact CD1-CD1 3.76Å; L173-L177 HydrophobicContact CD1-CG 4.03Å; L173-L177 HydrophobicContact CD2-CD1 4.29Å; L173-L177 HydrophobicContact CG-CD1 3.68Å; L173-L177 HydrophobicContact CG-CG 4.37Å; L173-L177 WeakPolarHBondContact O-CG 3.45Å; L173-L177 PolarHBondContact O-N 3.01Å; L173-L222 HydrophobicContact CD2-CD1 3.72Å; L173-L222 HydrophobicContact CD2-CG 4.28Å; L173-L222 HydrophobicContact CG-CD1 4.24Å
174	K	87.8	Confident	86.9	Confident	79 Å²	79	74.5 Å²	74.5	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-59.4	-42.8	177.3	-75.6	-172.9	175.5	-174.3	0	112.3	K170 H171 L177 R178 F185 L222	K170-K174 PolarHBondContact O-N 2.86Å; H171-K174 PolarHBondContact O-N 3.35Å; K174-L177 PolarHBondContact O-N 2.84Å; K174-R178 PolarHBondContact O-N 3.33Å; K174-F185 HydrophobicContact CB-CD2 4.41Å; K174-F185 HydrophobicContact CB-CE2 4.09Å; K174-F185 HydrophobicContact CD-CD2 4.4Å; K174-F185 HydrophobicContact CG-CD2 4.08Å; K174-F185 HydrophobicContact CG-CE2 3.85Å; K174-F185 HydrophobicContact CG-CZ 4.39Å; K174-L222 HydrophobicContact CG-CD1 4.23Å
175	K	89.6	Confident	86	Confident	121 Å²	121	70.5 Å²	70.5	53%	0.526	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-42.8	175.9	-175.4	179.3	179.3	-179.8	0	111.2	H171 S172 L173 R178 N179	H171-K175 WeakPolarHBondContact O-CB 3.42Å; H171-K175 PolarHBondContact O-N 2.81Å; S172-K175 PolarHBondContact O-N 3.04Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 2.73Å; K175-R178 PolarHBondContact O-N 3.15Å; K175-N179 WeakPolarHBondContact O-CB 3.45Å; K175-N179 VanDerWaalsContact O-CG 3.31Å; K175-N179 PolarHBondContact O-N 3.23Å; K175-N179 PolarHBondContact O-OD1 3.32Å
176	H	90.1	Very high	84.9	Confident	14 Å²	14	68.5 Å²	68.5	7%	0.065	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-47	173.8	163.2	64.1	0	0	0	112.1	C160 C163 Y167 S172 L173 R178 N179 S180 H181	C160-H176 WeakPolarHBondContact CB-NE2 3.09Å; C160-H176 PolarHBondContact SG-NE2 3.33Å; C163-H176 PolarHBondContact SG-CE1 3.04Å; C163-H176 PolarHBondContact SG-NE2 3.24Å; Y167-H176 HydrophobicContact CE1-CB 3.99Å; Y167-H176 HydrophobicContact CE2-CB 3.9Å; Y167-H176 AromaticContact CE2-CD2 3.56Å; Y167-H176 AromaticContact CE2-CG 3.74Å; Y167-H176 VanDerWaalsContact CZ-CB 3.46Å; Y167-H176 AromaticContact CZ-CD2 3.78Å; Y167-H176 AromaticContact CZ-CG 3.47Å; Y167-H176 VanDerWaalsContact CZ-CG 3.47Å; Y167-H176 WeakPolarHBondContact OH-CB 3.2Å; Y167-H176 PolarHBondContact OH-CD2 2.78Å; Y167-H176 PolarHBondContact OH-ND1 3.27Å; Y167-H176 VanDerWaalsContact OH-ND1 3.09Å; S172-H176 WeakPolarHBondContact O-CB 3.45Å; S172-H176 PolarHBondContact O-N 2.81Å; L173-H176 WeakPolarHBondContact O-CB 3.21Å; L173-H176 PolarHBondContact O-N 2.81Å; H176-R178 VanDerWaalsContact C-N 3.28Å; H176-R178 PolarHBondContact O-N 3.48Å; H176-N179 PolarHBondContact O-N 2.78Å; H176-S180 VanDerWaalsContact CE1-CB 3.41Å; H176-S180 WeakPolarHBondContact CE1-CB 3.44Å; H176-S180 VanDerWaalsContact ND1-CB 3.35Å; H176-S180 WeakPolarHBondContact ND1-CB 3.33Å; H176-S180 PolarHBondContact ND1-OG 2.82Å; H176-S180 WeakPolarHBondContact O-CA 3.36Å; H176-S180 VanDerWaalsContact O-CB 3.27Å; H176-S180 WeakPolarHBondContact O-CB 3.32Å; H176-S180 PolarHBondContact O-N 3.04Å; H176-S180 PolarHBondContact O-OG 3.06Å; H176-H181 AromaticContact CE1-CD2 3.73Å; H176-H181 AromaticContact CE1-NE2 3.43Å; H176-H181 PolarHBondContact CE1-NE2 3.06Å; H176-H181 AromaticContact NE2-CD2 3.43Å; H176-H181 PolarHBondContact NE2-CD2 3.47Å; H176-H181 AromaticContact NE2-NE2 3.24Å; H176-H181 PolarHBondContact NE2-NE2 3.15Å
177	L	89.4	Confident	82.9	Confident	11 Å²	11	74.8 Å²	74.8	6%	0.058	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-37.7	179.8	-71.7	165.8	0	0	0	111.3	I162 L173 K174 H181 S182 I183 F185 L222	I162-L177 HydrophobicContact CD1-CD2 4.37Å; L173-L177 HydrophobicContact CD1-CD1 3.76Å; L173-L177 HydrophobicContact CD1-CG 4.03Å; L173-L177 HydrophobicContact CD2-CD1 4.29Å; L173-L177 HydrophobicContact CG-CD1 3.68Å; L173-L177 HydrophobicContact CG-CG 4.37Å; L173-L177 WeakPolarHBondContact O-CG 3.45Å; L173-L177 PolarHBondContact O-N 3.01Å; K174-L177 PolarHBondContact O-N 2.84Å; L177-H181 CarbonylContact O-C 3.55Å; L177-H181 WeakPolarHBondContact O-CA 3.38Å; L177-H181 WeakPolarHBondContact O-CB 3.13Å; L177-H181 PolarHBondContact O-N 3.39Å; L177-S182 PolarHBondContact O-N 2.77Å; L177-S182 VanDerWaalsContact O-N 3.07Å; L177-I183 HydrophobicContact CB-CB 4.15Å; L177-I183 HydrophobicContact CD2-CD1 3.82Å; L177-I183 PolarHBondContact O-N 3.02Å; L177-F185 HydrophobicContact CB-CE2 3.95Å; L177-F185 HydrophobicContact CB-CZ 4Å; L177-F185 HydrophobicContact CD1-CE2 4.2Å; L177-F185 HydrophobicContact CD1-CZ 3.52Å; L177-F185 HydrophobicContact CG-CZ 4.36Å; L177-L222 HydrophobicContact CD1-CD1 4.4Å
178	R	90.2	Very high	80.5	Confident	167 Å²	167	76.5 Å²	76.5	63%	0.63	41%	0.414	S	S	*	.	H	α-helix	trans	-65.8	-45.1	173	-171.6	-178.9	-62.3	-172.2	-1.2	113	K174 K175 H176 S182 I183	K174-R178 PolarHBondContact O-N 3.33Å; K175-R178 PolarHBondContact O-N 3.15Å; H176-R178 VanDerWaalsContact C-N 3.28Å; H176-R178 PolarHBondContact O-N 3.48Å; R178-S182 WeakPolarHBondContact O-CA 3.42Å; R178-S182 PolarHBondContact O-N 2.73Å; R178-I183 WeakPolarHBondContact CA-O 3.34Å
179	N	89.8	Confident	78.3	Confident	109 Å²	109	81 Å²	81	58%	0.583	44%	0.435	S	S	*	.	H	α-helix	trans	-89.4	-27.9	-169.9	-68.2	9.5	0	0	0	114.1	K175 H176	K175-N179 WeakPolarHBondContact O-CB 3.45Å; K175-N179 VanDerWaalsContact O-CG 3.31Å; K175-N179 PolarHBondContact O-N 3.23Å; K175-N179 PolarHBondContact O-OD1 3.32Å; H176-N179 PolarHBondContact O-N 2.78Å
180	S	88.8	Confident	75.8	Confident	71 Å²	71	84.1 Å²	84.1	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-106.6	-23.6	-175.6	-56.3	0	0	0	0	113.1	H176	H176-S180 VanDerWaalsContact CE1-CB 3.41Å; H176-S180 WeakPolarHBondContact CE1-CB 3.44Å; H176-S180 VanDerWaalsContact ND1-CB 3.35Å; H176-S180 WeakPolarHBondContact ND1-CB 3.33Å; H176-S180 PolarHBondContact ND1-OG 2.82Å; H176-S180 WeakPolarHBondContact O-CA 3.36Å; H176-S180 VanDerWaalsContact O-CB 3.27Å; H176-S180 WeakPolarHBondContact O-CB 3.32Å; H176-S180 PolarHBondContact O-N 3.04Å; H176-S180 PolarHBondContact O-OG 3.06Å
181	H	89.3	Confident	73.4	Confident	50 Å²	50	88 Å²	88	23%	0.231	48%	0.477	C	S	.	.	H	α-helix	trans	-125.7	2.2	-177.2	-60.8	-60.2	0	0	0	113.2	C160 I162 C163 H176 L177 I183	C160-H181 PolarHBondContact SG-NE2 3.35Å; C160-H181 VanDerWaalsContact SG-NE2 3.39Å; I162-H181 HydrophobicContact CD1-CB 3.82Å; I162-H181 WeakPolarHBondContact CG2-CE1 3.32Å; I162-H181 WeakPolarHBondContact CG2-ND1 3.47Å; C163-H181 PolarHBondContact SG-NE2 3.36Å; C163-H181 VanDerWaalsContact SG-NE2 3.44Å; H176-H181 AromaticContact CE1-CD2 3.73Å; H176-H181 AromaticContact CE1-NE2 3.43Å; H176-H181 PolarHBondContact CE1-NE2 3.06Å; H176-H181 AromaticContact NE2-CD2 3.43Å; H176-H181 PolarHBondContact NE2-CD2 3.47Å; H176-H181 AromaticContact NE2-NE2 3.24Å; H176-H181 PolarHBondContact NE2-NE2 3.15Å; L177-H181 CarbonylContact O-C 3.55Å; L177-H181 WeakPolarHBondContact O-CA 3.38Å; L177-H181 WeakPolarHBondContact O-CB 3.13Å; L177-H181 PolarHBondContact O-N 3.39Å; H181-I183 HydrophobicContact CB-CD1 3.78Å; H181-I183 HydrophobicContact CB-CG1 4.02Å; H181-I183 PolarHBondContact O-N 3.31Å
182	S	86	Confident	70.8	Confident	107 Å²	107	89.5 Å²	89.5	75%	0.748	49%	0.49	S	S	*	.			trans	54.1	31.9	-178.8	-55.4	0	0	0	0	113.7	L177 R178	L177-S182 PolarHBondContact O-N 2.77Å; L177-S182 VanDerWaalsContact O-N 3.07Å; R178-S182 WeakPolarHBondContact O-CA 3.42Å; R178-S182 PolarHBondContact O-N 2.73Å
183	I	80.1	Confident	68.6	Low	38 Å²	38	93.2 Å²	93.2	20%	0.195	52%	0.516	C	S	.	.			trans	-89.5	116.6	179.8	-65.7	168.1	0	0	0	109.6	I162 L177 R178 H181 F185	I162-I183 HydrophobicContact CD1-CD1 3.43Å; I162-I183 VanDerWaalsContact CD1-CD1 3.43Å; L177-I183 HydrophobicContact CB-CB 4.15Å; L177-I183 HydrophobicContact CD2-CD1 3.82Å; L177-I183 PolarHBondContact O-N 3.02Å; R178-I183 WeakPolarHBondContact CA-O 3.34Å; H181-I183 HydrophobicContact CB-CD1 3.78Å; H181-I183 HydrophobicContact CB-CG1 4.02Å; H181-I183 PolarHBondContact O-N 3.31Å; I183-F185 HydrophobicContact CG2-CE1 4.18Å; I183-F185 HydrophobicContact CG2-CE2 4.17Å; I183-F185 HydrophobicContact CG2-CZ 3.93Å
184	S	75.1	Confident	66.2	Low	87 Å²	87	96.5 Å²	96.5	61%	0.608	55%	0.55	S	S	*	*			trans	-96.4	121.9	169.3	43.9	0	0	0	0	110.3	S186	S184-S186 VanDerWaalsContact C-N 3.31Å; S184-S186 PolarHBondContact O-N 2.96Å; S184-S186 VanDerWaalsContact O-N 3.13Å
185	F	69.8	Low	63.9	Low	82 Å²	82	97.7 Å²	97.7	36%	0.36	57%	0.568	S	S	.	*			trans	-84.2	79.5	170.7	-57.5	-84.6	0	0	0	108.6	K174 L177 I183 L222	K174-F185 HydrophobicContact CB-CD2 4.41Å; K174-F185 HydrophobicContact CB-CE2 4.09Å; K174-F185 HydrophobicContact CD-CD2 4.4Å; K174-F185 HydrophobicContact CG-CD2 4.08Å; K174-F185 HydrophobicContact CG-CE2 3.85Å; K174-F185 HydrophobicContact CG-CZ 4.39Å; L177-F185 HydrophobicContact CB-CE2 3.95Å; L177-F185 HydrophobicContact CB-CZ 4Å; L177-F185 HydrophobicContact CD1-CE2 4.2Å; L177-F185 HydrophobicContact CD1-CZ 3.52Å; L177-F185 HydrophobicContact CG-CZ 4.36Å; I183-F185 HydrophobicContact CG2-CE1 4.18Å; I183-F185 HydrophobicContact CG2-CE2 4.17Å; I183-F185 HydrophobicContact CG2-CZ 3.93Å; F185-L222 HydrophobicContact CE1-CD1 4.37Å; F185-L222 HydrophobicContact CZ-CD1 4.26Å
186	S	61	Low	61.3	Low	80 Å²	80	98.4 Å²	98.4	56%	0.559	58%	0.583	S	S	*	*			trans	-107.5	131	170.5	44.2	0	0	0	0	108.2	S184	S184-S186 VanDerWaalsContact C-N 3.31Å; S184-S186 PolarHBondContact O-N 2.96Å; S184-S186 VanDerWaalsContact O-N 3.13Å
187	Q	45.1	Very low	58.9	Low	174 Å²	174	105 Å²	105	81%	0.813	62%	0.619	S	S	*	*			trans	76	113.4	-179.5	-100.2	82	5	0	0	117.3
188	G	37.1	Very low	56.3	Low	74 Å²	74	107.5 Å²	107.5	76%	0.763	65%	0.648	S	S	*	*			trans	-70.3	131.4	151.4	0	0	0	0	0	109.9
189	I	39.8	Very low	54	Low	132 Å²	132	106.8 Å²	106.8	68%	0.677	66%	0.662	S	S	*	*			trans	-147.3	117.7	153.5	-64.7	-61.2	0	0	0	103.6
190	L	31.4	Very low	51.9	Low	140 Å²	140	110.4 Å²	110.4	73%	0.733	68%	0.675	S	S	*	*			trans	29.6	134.4	130.9	-42.1	173.2	0	0	0	114.6
191	D	33.6	Very low	49.4	Very low	142 Å²	142	113.5 Å²	113.5	76%	0.759	69%	0.686	S	S	*	*				-164.5	130.9	72.2	-54.2	-64.8	0	0	0	109.8	S193	D191-S193 PolarHBondContact O-N 2.84Å
192	D	34.5	Very low	47.4	Very low	161 Å²	161	119.6 Å²	119.6	86%	0.861	71%	0.712	S	S	*	*			trans	-64	105.2	161.6	171.8	47.9	0	0	0	108.8
193	S	43.1	Very low	45.1	Very low	116 Å²	116	120 Å²	120	81%	0.811	71%	0.714	S	S	*	*			trans	179.6	121.9	163	-80.2	0	0	0	0	110	D191	D191-S193 PolarHBondContact O-N 2.84Å
194	G	38.3	Very low	43.3	Very low	71 Å²	71	123 Å²	123	73%	0.732	74%	0.739	S	S	*	*			trans	126.4	82.2	148.7	0	0	0	0	0	116.1
195	S	39.9	Very low	41.9	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	75%	0.751	S	S	*	*			trans	56.9	96.3	132.1	-71.8	0	0	0	0	117.8	N197	S195-N197 PolarHBondContact O-N 3.43Å; S195-N197 VanDerWaalsContact O-N 3.16Å
196	T	35.7	Very low	40.3	Very low	136 Å²	136	129 Å²	129	83%	0.834	77%	0.771	S	S	*	*				-39.8	114.8	128.3	53.7	0	0	0	0	109.5
197	N	39.3	Very low	39	Very low	153 Å²	153	129.9 Å²	129.9	82%	0.818	78%	0.783	S	S	*	*			trans	-166.2	114.4	152.1	-91.6	-28.5	0	0	0	110	S195	S195-N197 PolarHBondContact O-N 3.43Å; S195-N197 VanDerWaalsContact O-N 3.16Å
198	G	33.8	Very low	38.5	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	78%	0.783	S	S	*	*			trans	80.5	86	146.5	0	0	0	0	0	116.6	Q200	G198-Q200 VanDerWaalsContact C-N 3.32Å; G198-Q200 PolarHBondContact O-N 3.5Å
199	V	43.4	Very low	38.7	Very low	152 Å²	152	129 Å²	129	92%	0.921	78%	0.783	S	S	*	*			trans	-60	103.6	147.3	173.2	0	0	0	0	106.8	N201	V199-N201 PolarHBondContact O-N 3.31Å
200	Q	44.7	Very low	38.4	Very low	185 Å²	185	130.2 Å²	130.2	86%	0.864	79%	0.791	S	S	*	*			trans	-69.5	120.1	175.5	-69.4	176.4	-21.7	0	0	108.8	G198	G198-Q200 VanDerWaalsContact C-N 3.32Å; G198-Q200 PolarHBondContact O-N 3.5Å
201	N	36.7	Very low	38.6	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	79%	0.79	S	S	*	*			trans	-78.3	147.4	169.2	-147.6	-8.4	0	0	0	108.2	V199	V199-N201 PolarHBondContact O-N 3.31Å
202	K	46.2	Very low	38.6	Very low	178 Å²	178	133.4 Å²	133.4	77%	0.774	80%	0.799	S	S	*	*			trans	95.8	104.8	156.6	-47.1	158.1	-158.9	-167.1	0	117.3
203	S	37.9	Very low	38.7	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	79%	0.791	S	S	*	*				20.3	142.4	129.7	-56.3	0	0	0	0	121.1
204	S	43.7	Very low	38	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	79%	0.792	S	S	*	*			trans	101.3	97.9	141.8	-53	0	0	0	0	117.3
205	Q	45.6	Very low	37.6	Very low	183 Å²	183	139.6 Å²	139.6	86%	0.855	79%	0.791	S	S	*	*				74.5	141.7	125.1	-71.6	-177.8	-9.2	0	0	121.1
206	S	36.1	Very low	37.5	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	80%	0.797	S	S	*	*			trans	94.6	91	146.7	74.1	0	0	0	0	118.3
207	A	32.5	Very low	37.2	Very low	98 Å²	98	143.2 Å²	143.2	81%	0.81	80%	0.797	S	S	*	*				39.2	116.5	120.1	0	0	0	0	0	120.2
208	C	34.9	Very low	37.1	Very low	122 Å²	122	145.9 Å²	145.9	82%	0.824	80%	0.796	S	S	*	*				-169.1	104.7	128	-116.8	0	0	0	0	107.1
209	S	41.8	Very low	37.5	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	81%	0.805	S	S	*	*				63.5	108	93.2	-70.1	0	0	0	0	114.7
210	N	34.5	Very low	37.3	Very low	157 Å²	157	146.7 Å²	146.7	84%	0.84	78%	0.779	S	S	*	*			trans	50.8	108.9	151.6	-66	-10	0	0	0	118.8
211	E	34	Very low	37.4	Very low	153 Å²	153	144.2 Å²	144.2	72%	0.715	77%	0.771	S	S	*	*				-150.9	121.5	124.4	-79.3	-127.4	125.7	0	0	109.1	R213	E211-R213 PolarHBondContact O-N 2.78Å; E211-R213 IonicContact OE2-CZ 3.72Å; E211-R213 IonicContact OE2-NE 3.46Å; E211-R213 PolarHBondContact OE2-NE 3.17Å; E211-R213 IonicContact OE2-NH2 3.19Å; E211-R213 PolarHBondContact OE2-NH2 3.11Å
212	M	34.3	Very low	37.7	Very low	196 Å²	196	139.2 Å²	139.2	97%	0.966	74%	0.744	S	S	*	*			trans	-62.2	102.4	165.9	-88.9	138.3	65.4	0	0	109
213	R	35.7	Very low	37.7	Very low	181 Å²	181	134.9 Å²	134.9	68%	0.683	73%	0.732	S	S	*	*			trans	-130	99	162	-72.1	-173.1	-169.2	-166.6	3.5	109.7	E211 F215	E211-R213 PolarHBondContact O-N 2.78Å; E211-R213 IonicContact OE2-CZ 3.72Å; E211-R213 IonicContact OE2-NE 3.46Å; E211-R213 PolarHBondContact OE2-NE 3.17Å; E211-R213 IonicContact OE2-NH2 3.19Å; E211-R213 PolarHBondContact OE2-NH2 3.11Å; R213-F215 PolarHBondContact O-N 3.14Å
214	T	28.5	Very low	37.9	Very low	136 Å²	136	134.1 Å²	134.1	83%	0.834	72%	0.719	S	S	*	*			trans	15.2	95.5	142.9	53.7	0	0	0	0	115.9	K216	T214-K216 PolarHBondContact O-N 3.28Å
215	F	30.8	Very low	37.7	Very low	162 Å²	162	132.7 Å²	132.7	71%	0.711	71%	0.709	S	S	*	*			trans	-92.1	86.6	164.6	-96.2	-90.5	0	0	0	109.5	R213	R213-F215 PolarHBondContact O-N 3.14Å
216	K	36.6	Very low	37.4	Very low	198 Å²	198	128 Å²	128	86%	0.861	69%	0.694	S	S	*	*			trans	-85.6	116.3	160	-78.8	-175.9	177.5	-178.5	0	108.1	T214	T214-K216 PolarHBondContact O-N 3.28Å
217	S	30.6	Very low	37.7	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	69%	0.689	S	S	*	*			trans	67	85.6	158.7	-132.5	0	0	0	0	117
218	R	36.3	Very low	38.1	Very low	209 Å²	209	129.5 Å²	129.5	79%	0.789	68%	0.683	S	S	*	*			trans	-102.5	112.2	161.2	-116.4	-179.4	175.8	166.6	-4	109.6	G220	R218-G220 PolarHBondContact O-N 3.34Å
219	K	42.9	Very low	38.2	Very low	197 Å²	197	127.9 Å²	127.9	86%	0.857	67%	0.671	S	S	*	*			trans	-52.7	121.5	174.1	-60.7	175.1	179.4	-179.9	0	109.1	L221	K219-L221 PolarHBondContact O-N 3.28Å; K219-L221 VanDerWaalsContact O-N 3.09Å
220	G	38.6	Very low	37.8	Very low	36 Å²	36	129 Å²	129	37%	0.371	67%	0.668	S	S	.	*			trans	-67	105.2	177	0	0	0	0	0	110.4	R218 L222	R218-G220 PolarHBondContact O-N 3.34Å; G220-L222 PolarHBondContact O-N 2.79Å
221	L	47.3	Very low	37.7	Very low	133 Å²	133	126.8 Å²	126.8	70%	0.696	67%	0.665	S	S	*	*			trans	-62.5	117.1	174.8	-82.5	157.7	0	0	0	109.5	N161 K219	N161-L221 PolarHBondContact ND2-O 3.42Å; K219-L221 PolarHBondContact O-N 3.28Å; K219-L221 VanDerWaalsContact O-N 3.09Å
222	L	42.9	Very low	37.8	Very low	30 Å²	30	123.6 Å²	123.6	16%	0.157	66%	0.66	C	S	.	*			trans	-94.9	109.8	162.9	-161.4	111.8	0	0	0	106	K170 L173 K174 L177 F185 G220 D224	K170-L222 HydrophobicContact CD-CD2 3.77Å; K170-L222 HydrophobicContact CG-CD2 3.99Å; L173-L222 HydrophobicContact CD2-CD1 3.72Å; L173-L222 HydrophobicContact CD2-CG 4.28Å; L173-L222 HydrophobicContact CG-CD1 4.24Å; K174-L222 HydrophobicContact CG-CD1 4.23Å; L177-L222 HydrophobicContact CD1-CD1 4.4Å; F185-L222 HydrophobicContact CE1-CD1 4.37Å; F185-L222 HydrophobicContact CZ-CD1 4.26Å; G220-L222 PolarHBondContact O-N 2.79Å; L222-D224 WeakPolarHBondContact CD2-OD2 3.46Å; L222-D224 PolarHBondContact O-N 3.43Å; L222-D224 VanDerWaalsContact O-N 3.07Å
223	V	45.8	Very low	37.8	Very low	88 Å²	88	119.3 Å²	119.3	53%	0.533	65%	0.649	S	S	.	*			trans	-72.9	104.8	175.1	-177.3	0	0	0	0	107.1	S225	V223-S225 PolarHBondContact O-N 3.36Å
224	D	42.4	Very low	37.8	Very low	97 Å²	97	116.7 Å²	116.7	52%	0.519	66%	0.656	S	S	.	*			trans	-86.8	46.2	-179.3	-102	-41.5	0	0	0	111.6	K170 L222	K170-D224 WeakPolarHBondContact CE-OD1 3.49Å; K170-D224 IonicContact NZ-OD1 2.67Å; K170-D224 PolarHBondContact NZ-OD1 3.3Å; K170-D224 IonicContact NZ-OD2 3.81Å; K170-D224 PolarHBondContact NZ-OD2 2.78Å; L222-D224 WeakPolarHBondContact CD2-OD2 3.46Å; L222-D224 PolarHBondContact O-N 3.43Å; L222-D224 VanDerWaalsContact O-N 3.07Å
225	S	40.4	Very low	38.1	Very low	73 Å²	73	114.8 Å²	114.8	51%	0.51	65%	0.648	S	S	.	*	S	Bend	trans	-140.3	115.8	175.8	-63.7	0	0	0	0	109.4	V223 I227	V223-S225 PolarHBondContact O-N 3.36Å; S225-I227 PolarHBondContact O-N 2.79Å; S225-I227 VanDerWaalsContact O-N 3.13Å
226	P	38.8	Very low	38.5	Very low	83 Å²	83	113.3 Å²	113.3	54%	0.539	65%	0.654	S	S	.	*			trans	-52.3	122.9	162	-16.4	28.2	0	0	0	107.1	T228	P226-T228 PolarHBondContact O-N 2.87Å
227	I	43.3	Very low	38.6	Very low	131 Å²	131	109.3 Å²	109.3	67%	0.672	65%	0.651	S	S	*	*			trans	-64.2	96.8	161.2	-57.9	171.3	0	0	0	103.9	S225 P229	S225-I227 PolarHBondContact O-N 2.79Å; S225-I227 VanDerWaalsContact O-N 3.13Å; I227-P229 WeakPolarHBondContact O-CD 3.18Å
228	T	39.5	Very low	38.6	Very low	113 Å²	113	115.2 Å²	115.2	69%	0.693	66%	0.656	S	S	*	*			trans	-69.8	114	173.3	51.1	0	0	0	0	106.7	P226 N230	P226-T228 PolarHBondContact O-N 2.87Å; T228-N230 PolarHBondContact O-N 3.25Å
229	P	38.3	Very low	38.7	Very low	88 Å²	88	109.9 Å²	109.9	57%	0.571	65%	0.65	S	S	*	*			trans	-61.7	123.8	159.9	26.9	-30.1	0	0	0	107	I155 I227 S231	I155-P229 HydrophobicContact CD1-CG 4.05Å; I227-P229 WeakPolarHBondContact O-CD 3.18Å; P229-S231 PolarHBondContact O-N 3.32Å
230	N	32.9	Very low	38.5	Very low	129 Å²	129	107.1 Å²	107.1	69%	0.69	65%	0.645	S	S	*	*			trans	-24.5	126.7	172.2	-178.4	25.1	0	0	0	113.4	T228 S232	T228-N230 PolarHBondContact O-N 3.25Å; N230-S232 VanDerWaalsContact C-N 3.31Å; N230-S232 PolarHBondContact ND2-OG 3.19Å; N230-S232 PolarHBondContact O-N 3.17Å
231	S	32.6	Very low	38.2	Very low	111 Å²	111	114.1 Å²	114.1	78%	0.776	67%	0.668	S	S	*	*			trans	-61.1	90.5	171	52.1	0	0	0	0	110	P229	P229-S231 PolarHBondContact O-N 3.32Å
232	S	35.5	Very low	38.1	Very low	86 Å²	86	114.9 Å²	114.9	60%	0.601	68%	0.678	S	S	*	*			trans	-116.3	85	165	-57.6	0	0	0	0	106.5	N230 P234	N230-S232 VanDerWaalsContact C-N 3.31Å; N230-S232 PolarHBondContact ND2-OG 3.19Å; N230-S232 PolarHBondContact O-N 3.17Å; S232-P234 WeakPolarHBondContact O-CD 3.28Å
233	S	34.6	Very low	37.9	Very low	107 Å²	107	121.1 Å²	121.1	75%	0.748	71%	0.711	S	S	*	*			trans	-52.3	120.5	170.5	-49.4	0	0	0	0	109.1	S235	S233-S235 PolarHBondContact O-N 3.07Å
234	P	34.6	Very low	37.5	Very low	126 Å²	126	119.9 Å²	119.9	82%	0.818	72%	0.716	S	S	*	*			trans	-83.4	105.6	165.9	14.3	1.7	0	0	0	107.6	S232	S232-P234 WeakPolarHBondContact O-CD 3.28Å
235	S	36.1	Very low	37.3	Very low	96 Å²	96	121 Å²	121	67%	0.671	73%	0.729	S	S	*	*			trans	-58.5	138.5	162.5	-53.5	0	0	0	0	109.3	S233 S237	S233-S235 PolarHBondContact O-N 3.07Å; S235-S237 PolarHBondContact O-N 3.23Å
236	P	39.2	Very low	37.4	Very low	130 Å²	130	123.3 Å²	123.3	84%	0.844	74%	0.74	S	S	*	*			trans	-74.7	104.1	174.3	28.8	-30.2	0	0	0	109.5	R238	P236-R238 PolarHBondContact O-N 3.28Å
237	S	37.3	Very low	37.5	Very low	114 Å²	114	124 Å²	124	80%	0.797	75%	0.746	S	S	*	*			trans	-69.6	113.2	169	-56.2	0	0	0	0	109.9	S235 S239	S235-S237 PolarHBondContact O-N 3.23Å; S237-S239 PolarHBondContact O-N 3.17Å
238	R	31.2	Very low	37.5	Very low	242 Å²	242	124.4 Å²	124.4	91%	0.913	75%	0.749	S	S	*	*			trans	-59.5	120.2	162	-83.1	171.6	128	-153	-0	109.4	P236	P236-R238 PolarHBondContact O-N 3.28Å
239	S	38	Very low	37.5	Very low	97 Å²	97	127 Å²	127	68%	0.678	75%	0.751	S	S	*	*			trans	-164.9	134.5	153.5	-52.7	0	0	0	0	112	S237	S237-S239 PolarHBondContact O-N 3.17Å
240	N	39	Very low	37.8	Very low	140 Å²	140	128.7 Å²	128.7	75%	0.749	76%	0.76	S	S	*	*			trans	85	97.3	153.9	-48.6	-20.8	0	0	0	116.1
241	E	32.6	Very low	38.4	Very low	183 Å²	183	131.3 Å²	131.3	86%	0.855	77%	0.765	S	S	*	*				50.3	99.3	75.3	-62.7	-156.8	116.6	0	0	112.9
242	V	45	Very low	39.1	Very low	149 Å²	149	133.3 Å²	133.3	90%	0.903	77%	0.767	S	S	*	*			trans	-139.5	114.7	149.5	-152.5	0	0	0	0	108.3
243	D	38.8	Very low	39.6	Very low	160 Å²	160	136.6 Å²	136.6	86%	0.856	77%	0.773	S	S	*	*			trans	-62.5	153.8	175.2	-115.2	-68.2	0	0	0	113.9
244	G	36.6	Very low	40	Very low	62 Å²	62	139.3 Å²	139.3	64%	0.639	77%	0.774	S	S	*	*			trans	121.2	149.2	143.4	0	0	0	0	0	118.6
245	P	39.2	Very low	41	Very low	120 Å²	120	140.9 Å²	140.9	78%	0.779	77%	0.774	S	S	*	*				-135.6	172.6	-118.1	40	-23.2	0	0	0	117.2
246	V	41.6	Very low	41.7	Very low	122 Å²	122	145 Å²	145	74%	0.739	80%	0.803	S	S	*	*			trans	74.6	118.5	142.7	166.3	0	0	0	0	121.7
247	S	41.7	Very low	41.8	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	80%	0.8	S	S	*	*				167.9	116.2	115.1	-90.8	0	0	0	0	110.9
248	L	42.9	Very low	42.1	Very low	140 Å²	140	147.5 Å²	147.5	73%	0.733	80%	0.801	S	S	*	*				55.9	128.9	95.4	-64	160.9	0	0	0	111.6
249	K	40.7	Very low	42.7	Very low	167 Å²	167	142.2 Å²	142.2	73%	0.726	79%	0.794	S	S	*	*			cis	-170.8	156	25	-144.6	107.8	156.7	-169.5	0	101.8
250	T	43.6	Very low	42.9	Very low	124 Å²	124	144.9 Å²	144.9	76%	0.761	80%	0.801	S	S	*	*				174.1	148.5	69.2	-32.5	0	0	0	0	109
251	K	46.6	Very low	43.2	Very low	185 Å²	185	145.2 Å²	145.2	80%	0.804	80%	0.804	S	S	*	*			trans	-44.8	150.5	174.7	-58	161.1	177	179.5	0	117
252	N	45.5	Very low	43.9	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	80%	0.801	S	S	*	*				-171.3	115.9	118.5	-97.7	-15.3	0	0	0	109.8
253	H	47.9	Very low	43.8	Very low	154 Å²	154	142.2 Å²	142.2	71%	0.713	79%	0.794	S	S	*	*				85.3	94.7	87.2	-142.4	77.2	0	0	0	110.6
254	Q	42.5	Very low	44.2	Very low	165 Å²	165	140.8 Å²	140.8	77%	0.771	79%	0.789	S	S	*	*				78.3	162.5	89.3	-103.6	-155.3	48.7	0	0	114.9
255	I	54.9	Low	44.8	Very low	159 Å²	159	147.4 Å²	147.4	82%	0.815	80%	0.802	S	S	*	*			trans	98.8	115.6	-176.9	-48.5	153.5	0	0	0	111
256	S	51	Low	45.3	Very low	183 Å²	183	149.9 Å²	149.9	100%	1.28	80%	0.804	S	S	*	*			cis	-149.6	0	5.6	-170.7	0	0	0	0	109.9

Retrieved 256 of 256 residues in 503.4 ms (Link to these results)

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