A0A3Q0KSK2_SCHMA Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A3Q0KSK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 608 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	35.3	Very low	234 Å²	234	154.6 Å²	154.6	100%	1.153	81%	0.809	S	S	*	*				0	138.2	0	-60.9	171.1	-170.6	0	0	107.8
2	I	35	Very low	35.3	Very low	162 Å²	162	152.9 Å²	152.9	83%	0.831	80%	0.801	S	S	*	*			trans	29.6	89.3	158.1	-44.4	177.1	0	0	0	116
3	H	31.8	Very low	35.1	Very low	169 Å²	169	152.8 Å²	152.8	78%	0.782	80%	0.801	S	S	*	*				68.9	127.9	87.8	-97.9	-86.7	0	0	0	117.8
4	S	37.3	Very low	35	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	80%	0.795	S	S	*	*			trans	70.4	132.5	155.8	-55.4	0	0	0	0	116.8
5	I	39.3	Very low	34.9	Very low	153 Å²	153	155.9 Å²	155.9	79%	0.785	80%	0.797	S	S	*	*			cis	-144.2	131.9	2.6	-70.5	108.4	0	0	0	105.4
6	L	33.8	Very low	34.8	Very low	145 Å²	145	152.6 Å²	152.6	76%	0.759	79%	0.789	S	S	*	*			cis	77.9	120.2	44.9	-87.9	174.2	0	0	0	118.1
7	I	37.3	Very low	34.5	Very low	129 Å²	129	154.9 Å²	154.9	66%	0.662	79%	0.792	S	S	*	*			trans	72.2	97.3	156.4	-54.9	155.6	0	0	0	115.5
8	Y	32.2	Very low	34.2	Very low	220 Å²	220	150.5 Å²	150.5	86%	0.863	78%	0.778	S	S	*	*				-161.9	134.4	71.5	-108.5	-71.2	0	0	0	112.3
9	I	35.9	Very low	33.8	Very low	167 Å²	167	150.6 Å²	150.6	86%	0.856	78%	0.778	S	S	*	*			trans	-136.5	125.5	168.2	-65.4	178.4	0	0	0	109.7
10	G	30.8	Very low	33.5	Very low	68 Å²	68	152.1 Å²	152.1	70%	0.701	78%	0.778	S	S	*	*			trans	73	130.9	154	0	0	0	0	0	119
11	L	38.4	Very low	33.2	Very low	155 Å²	155	150.3 Å²	150.3	81%	0.812	77%	0.769	S	S	*	*			trans	-171.5	126.5	146	-104.4	159.8	0	0	0	110.1
12	N	34.5	Very low	32.7	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	74%	0.744	S	S	*	*			trans	50.2	121.3	162.2	-52.5	-24.6	0	0	0	119.6
13	L	33.7	Very low	32.6	Very low	152 Å²	152	138.9 Å²	138.9	80%	0.796	72%	0.72	S	S	*	*				71	124.8	53.4	-74.4	168.7	0	0	0	116.6
14	I	33.7	Very low	32.6	Very low	140 Å²	140	135.4 Å²	135.4	72%	0.718	71%	0.714	S	S	*	*			trans	65.8	95.7	159.2	-51.6	157.7	0	0	0	117.1
15	Y	32.4	Very low	32.2	Very low	211 Å²	211	135 Å²	135	83%	0.827	71%	0.712	S	S	*	*			trans	-161.1	145.1	132.7	-91.3	-62.2	0	0	0	110.4	F17	Y15-F17 PolarHBondContact O-N 2.84Å
16	P	33.6	Very low	32.1	Very low	103 Å²	103	133.1 Å²	133.1	67%	0.669	70%	0.701	S	S	*	*			trans	-89.4	96.1	-168.8	33.8	-33	0	0	0	112.9	S18 K352	P16-S18 PolarHBondContact O-N 3.14Å; P16-K352 PolarHBondContact O-NZ 3.47Å
17	F	29.9	Very low	32.6	Very low	192 Å²	192	129.4 Å²	129.4	84%	0.842	68%	0.682	S	S	*	*			trans	-41.3	125.7	179	-86.8	-92.1	0	0	0	113.7	Y15 K352	Y15-F17 PolarHBondContact O-N 2.84Å; F17-K352 VanDerWaalsContact C-NZ 3.32Å; F17-K352 PolarHBondContact O-NZ 2.89Å
18	S	29.1	Very low	33.2	Very low	76 Å²	76	125.1 Å²	125.1	53%	0.531	66%	0.663	S	S	.	*			trans	-94.1	111.4	163.1	-68.4	0	0	0	0	107.7	P16 K20 K352	P16-S18 PolarHBondContact O-N 3.14Å; S18-K20 VanDerWaalsContact C-N 3.3Å; S18-K20 PolarHBondContact O-N 3.26Å; S18-K352 WeakPolarHBondContact OG-CE 3.34Å; S18-K352 PolarHBondContact OG-NZ 3Å
19	I	27.7	Very low	34.1	Very low	152 Å²	152	114.8 Å²	114.8	78%	0.779	62%	0.623	S	S	*	*			trans	-70.5	87	179.3	-55.5	174.9	0	0	0	109	I21	I19-I21 HydrophobicContact CG2-CG1 3.88Å; I19-I21 PolarHBondContact O-N 3.46Å
20	K	27.3	Very low	35.3	Very low	181 Å²	181	109.3 Å²	109.3	79%	0.787	60%	0.596	S	S	*	*			trans	-75.6	101.2	162.7	-78.8	-168.2	175.3	-174.4	0	107.9	S18 S22	S18-K20 VanDerWaalsContact C-N 3.3Å; S18-K20 PolarHBondContact O-N 3.26Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.45Å
21	I	27.6	Very low	37.1	Very low	114 Å²	114	106.3 Å²	106.3	59%	0.585	56%	0.563	S	S	*	*			trans	-70.2	88.5	173	-53.5	179.3	0	0	0	108.9	I19 I23 R288	I19-I21 HydrophobicContact CG2-CG1 3.88Å; I19-I21 PolarHBondContact O-N 3.46Å; I21-I23 HydrophobicContact CG2-CG1 4.09Å; I21-I23 PolarHBondContact O-N 2.85Å; I21-R288 PolarHBondContact O-NH1 3.15Å
22	S	25.8	Very low	38.4	Very low	89 Å²	89	99 Å²	99	62%	0.622	53%	0.525	S	S	*	.			trans	-75.1	112.6	167.9	-175.6	0	0	0	0	108.8	K20 C24	K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.45Å; S22-C24 PolarHBondContact O-N 3.27Å
23	I	33.6	Very low	40	Very low	67 Å²	67	93 Å²	93	34%	0.344	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	3.4	-175.7	-77.1	-173.7	0	0	0	112.9	I21 S25 R288	I21-I23 HydrophobicContact CG2-CG1 4.09Å; I21-I23 PolarHBondContact O-N 2.85Å; I23-S25 PolarHBondContact O-N 2.92Å; I23-S25 VanDerWaalsContact O-N 3.17Å; I23-R288 VanDerWaalsContact CD1-NH1 3.3Å
24	C	30.1	Very low	41.4	Very low	96 Å²	96	88.2 Å²	88.2	65%	0.649	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	11.8	178.5	-60.3	0	0	0	0	115.1	S22 Q368	S22-C24 PolarHBondContact O-N 3.27Å; C24-Q368 PolarHBondContact SG-NE2 2.87Å; C24-Q368 VanDerWaalsContact SG-NE2 3.42Å
25	S	28.6	Very low	43.1	Very low	92 Å²	92	81.6 Å²	81.6	64%	0.643	43%	0.434	S	S	*	.			trans	-149.7	58	-179.3	-159.3	0	0	0	0	113.2	I23	I23-S25 PolarHBondContact O-N 2.92Å; I23-S25 VanDerWaalsContact O-N 3.17Å
26	M	38	Very low	44.8	Very low	112 Å²	112	71.6 Å²	71.6	55%	0.552	40%	0.395	S	S	*	.			trans	-111.2	97.9	156.7	-68.9	-174.3	72.6	0	0	106.8	S28 H281	M26-S28 PolarHBondContact O-N 2.85Å; M26-H281 PolarHBondContact O-NE2 3.29Å
27	N	45.3	Very low	46.4	Very low	67 Å²	67	68.7 Å²	68.7	36%	0.358	37%	0.373	S	S	.	.			trans	-70	122.4	-172.2	-61.7	-2.5	0	0	0	110.2	N30	N27-N30 HydrophobicContact CB-CB 4.27Å; N27-N30 WeakPolarHBondContact CB-OD1 3.37Å; N27-N30 PolarHBondContact ND2-OD1 2.87Å
28	S	48.2	Very low	48.2	Very low	40 Å²	40	61.6 Å²	61.6	28%	0.28	34%	0.344	S	S	.	.	S	Bend	trans	-89.1	-15	-165	66.9	0	0	0	0	114.7	M26 E199 N277	M26-S28 PolarHBondContact O-N 2.85Å; S28-E199 PolarHBondContact N-OE1 3.3Å; S28-E199 PolarHBondContact OG-OE1 3.4Å; S28-N277 WeakPolarHBondContact CA-ND2 3.33Å; S28-N277 PolarHBondContact O-ND2 3Å
29	G	52.4	Low	49.8	Very low	2 Å²	2	58.4 Å²	58.4	2%	0.021	32%	0.321	C	S	.	.	S	Bend	trans	-123.3	1	-178.9	0	0	0	0	0	116.2	W31 V32 F33 E199	G29-W31 VanDerWaalsContact C-N 3.28Å; G29-W31 PolarHBondContact O-N 3.44Å; G29-W31 VanDerWaalsContact O-N 3.1Å; G29-V32 WeakPolarHBondContact O-CA 3.42Å; G29-V32 WeakPolarHBondContact O-CB 3.42Å; G29-V32 WeakPolarHBondContact O-CG2 3.36Å; G29-V32 PolarHBondContact O-N 2.97Å; G29-F33 WeakPolarHBondContact O-CD2 3.41Å; G29-F33 WeakPolarHBondContact O-CE2 3.34Å; G29-E199 WeakPolarHBondContact CA-OE2 3.39Å; G29-E199 PolarHBondContact N-OE2 3.11Å
30	N	59.8	Low	51.3	Low	53 Å²	53	53.2 Å²	53.2	28%	0.283	29%	0.294	S	S	.	.	H	α-helix	trans	-44.7	-48.3	-175.8	-104.1	57.1	0	0	0	113.8	N27 V32 F33 D34	N27-N30 HydrophobicContact CB-CB 4.27Å; N27-N30 WeakPolarHBondContact CB-OD1 3.37Å; N27-N30 PolarHBondContact ND2-OD1 2.87Å; N30-V32 PolarHBondContact O-N 3.12Å; N30-F33 WeakPolarHBondContact O-CB 3.44Å; N30-F33 PolarHBondContact O-N 3.16Å; N30-F33 VanDerWaalsContact O-N 3.1Å; N30-D34 PolarHBondContact O-N 3.07Å
31	W	68.8	Low	52.5	Low	4 Å²	4	48.8 Å²	48.8	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-23.5	179.5	67.7	-89.4	0	0	0	114.3	G29 L35 S134 L136 M154 W216 F273 L274	G29-W31 VanDerWaalsContact C-N 3.28Å; G29-W31 PolarHBondContact O-N 3.44Å; G29-W31 VanDerWaalsContact O-N 3.1Å; W31-L35 HydrophobicContact CE3-CD1 4.12Å; W31-L35 HydrophobicContact CZ3-CD1 3.91Å; W31-L35 WeakPolarHBondContact O-CB 3.27Å; W31-L35 PolarHBondContact O-N 3.12Å; W31-S134 WeakPolarHBondContact CA-O 3.47Å; W31-S134 WeakPolarHBondContact CB-O 3.32Å; W31-S134 PolarHBondContact N-O 2.99Å; W31-L136 HydrophobicContact CB-CD2 3.73Å; W31-L136 HydrophobicContact CB-CG 3.96Å; W31-L136 HydrophobicContact CD2-CD2 3.63Å; W31-L136 HydrophobicContact CE3-CD2 3.68Å; W31-L136 HydrophobicContact CG-CD2 3.68Å; W31-L136 HydrophobicContact CG-CG 4.42Å; W31-L136 HydrophobicContact CZ3-CD2 4.42Å; W31-M154 HydrophobicContact CH2-CE 4.1Å; W31-M154 HydrophobicContact CZ3-CE 4.14Å; W31-W216 AromaticContact CH2-CH2 3.67Å; W31-W216 HydrophobicContact CH2-CH2 3.67Å; W31-W216 AromaticContact CH2-CZ2 3.36Å; W31-W216 HydrophobicContact CH2-CZ2 3.36Å; W31-W216 AromaticContact CZ2-CH2 3.52Å; W31-W216 HydrophobicContact CZ2-CH2 3.52Å; W31-W216 AromaticContact CZ2-CZ2 3.76Å; W31-W216 HydrophobicContact CZ2-CZ2 3.76Å; W31-W216 HydrophobicContact CZ3-CZ2 4.01Å; W31-F273 HydrophobicContact CE3-CE1 4.19Å; W31-F273 AromaticContact CH2-CD1 3.85Å; W31-F273 HydrophobicContact CH2-CD1 3.85Å; W31-F273 AromaticContact CH2-CE1 3.63Å; W31-F273 HydrophobicContact CH2-CE1 3.63Å; W31-F273 HydrophobicContact CZ2-CD1 4.47Å; W31-F273 HydrophobicContact CZ2-CE1 4.27Å; W31-F273 HydrophobicContact CZ3-CD1 4.24Å; W31-F273 AromaticContact CZ3-CE1 3.59Å; W31-F273 HydrophobicContact CZ3-CE1 3.59Å; W31-L274 HydrophobicContact CH2-CD2 3.79Å; W31-L274 HydrophobicContact CZ2-CD2 4.4Å
32	V	66.6	Low	53.7	Low	2 Å²	2	46.7 Å²	46.7	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-33	177.4	-168.6	0	0	0	0	110.5	G29 N30 L36 T158 M162 W216	G29-V32 WeakPolarHBondContact O-CA 3.42Å; G29-V32 WeakPolarHBondContact O-CB 3.42Å; G29-V32 WeakPolarHBondContact O-CG2 3.36Å; G29-V32 PolarHBondContact O-N 2.97Å; N30-V32 PolarHBondContact O-N 3.12Å; V32-L36 HydrophobicContact CG1-CD1 4.37Å; V32-L36 WeakPolarHBondContact O-CB 3.43Å; V32-L36 WeakPolarHBondContact O-CG 3.17Å; V32-L36 PolarHBondContact O-N 2.99Å; V32-T158 HydrophobicContact CG1-CG2 4.44Å; V32-M162 HydrophobicContact CG1-CE 4.41Å; V32-W216 HydrophobicContact CB-CH2 4.45Å; V32-W216 HydrophobicContact CB-CZ2 4.42Å; V32-W216 HydrophobicContact CG1-CH2 4.23Å; V32-W216 HydrophobicContact CG1-CZ2 3.91Å; V32-W216 HydrophobicContact CG2-CH2 3.33Å; V32-W216 HydrophobicContact CG2-CZ2 3.62Å; V32-W216 HydrophobicContact CG2-CZ3 4.23Å
33	F	67	Low	54.8	Low	7 Å²	7	47.3 Å²	47.3	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-54.6	172.2	-60.3	-91.8	0	0	0	110.5	G29 N30 L35 L36 M37 L182 T195 L198 E199	G29-F33 WeakPolarHBondContact O-CD2 3.41Å; G29-F33 WeakPolarHBondContact O-CE2 3.34Å; N30-F33 WeakPolarHBondContact O-CB 3.44Å; N30-F33 PolarHBondContact O-N 3.16Å; N30-F33 VanDerWaalsContact O-N 3.1Å; F33-L35 PolarHBondContact O-N 2.79Å; F33-L36 CarbonylContact O-C 3.56Å; F33-L36 WeakPolarHBondContact O-CA 3.16Å; F33-L36 PolarHBondContact O-N 2.91Å; F33-M37 VanDerWaalsContact O-CG 3.29Å; F33-M37 WeakPolarHBondContact O-CG 3.3Å; F33-M37 PolarHBondContact O-N 3.41Å; F33-L182 HydrophobicContact CD1-CD1 3.49Å; F33-L182 VanDerWaalsContact CD1-CD1 3.49Å; F33-L182 HydrophobicContact CD1-CD2 3.62Å; F33-L182 HydrophobicContact CD1-CG 4.2Å; F33-L182 HydrophobicContact CE1-CD1 3.77Å; F33-L182 HydrophobicContact CE1-CD2 4.03Å; F33-L182 HydrophobicContact CE1-CG 4.48Å; F33-L182 HydrophobicContact CG-CD1 4.5Å; F33-T195 HydrophobicContact CD1-CG2 4.06Å; F33-T195 WeakPolarHBondContact CE1-O 3.23Å; F33-T195 HydrophobicContact CG-CG2 4.46Å; F33-T195 WeakPolarHBondContact CZ-O 3.25Å; F33-L198 HydrophobicContact CE1-CB 3.57Å; F33-L198 HydrophobicContact CZ-CB 3.64Å; F33-E199 HydrophobicContact CE2-CB 4.07Å; F33-E199 HydrophobicContact CZ-CB 3.93Å
34	D	64.9	Low	55	Low	52 Å²	52	50.2 Å²	50.2	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-56.1	-41.4	179.9	-60.8	-15.4	0	0	0	110.6	N30 M37 L38 L133 S134	N30-D34 PolarHBondContact O-N 3.07Å; D34-M37 PolarHBondContact O-N 2.91Å; D34-L38 WeakPolarHBondContact O-CB 3.45Å; D34-L38 VanDerWaalsContact O-CG 3.3Å; D34-L38 WeakPolarHBondContact O-CG 3.29Å; D34-L38 PolarHBondContact O-N 3.27Å; D34-L133 HydrophobicContact CB-CD2 3.46Å; D34-L133 VanDerWaalsContact CB-CD2 3.46Å; D34-S134 WeakPolarHBondContact OD2-CA 3.42Å; D34-S134 WeakPolarHBondContact OD2-CB 3.46Å; D34-S134 PolarHBondContact OD2-N 3.4Å; D34-S134 PolarHBondContact OD2-OG 2.92Å
35	L	69.2	Low	55.3	Low	1 Å²	1	52 Å²	52	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-45.6	174.1	-173.6	151.9	0	0	0	112.1	W31 F33 M37 L38 S39 L133 I151 M154 L155 T158	W31-L35 HydrophobicContact CE3-CD1 4.12Å; W31-L35 HydrophobicContact CZ3-CD1 3.91Å; W31-L35 WeakPolarHBondContact O-CB 3.27Å; W31-L35 PolarHBondContact O-N 3.12Å; F33-L35 PolarHBondContact O-N 2.79Å; L35-M37 VanDerWaalsContact C-N 3.32Å; L35-M37 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.45Å; L35-S39 PolarHBondContact O-N 3.31Å; L35-S39 VanDerWaalsContact O-N 3.13Å; L35-L133 HydrophobicContact CB-CD2 4.17Å; L35-I151 HydrophobicContact CD1-CD1 3.99Å; L35-M154 HydrophobicContact CD1-CB 4.1Å; L35-L155 HydrophobicContact CB-CD2 4.49Å; L35-L155 HydrophobicContact CD2-CD2 3.81Å; L35-L155 HydrophobicContact CD2-CG 4.23Å; L35-L155 HydrophobicContact CG-CD2 3.65Å; L35-L155 HydrophobicContact CG-CG 3.97Å; L35-L155 WeakPolarHBondContact O-CD2 3.11Å; L35-T158 HydrophobicContact CD2-CG2 3.85Å; L35-T158 WeakPolarHBondContact CD2-OG1 3.37Å
36	L	68.2	Low	55.5	Low	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-41	173.8	-82.1	168.1	0	0	0	112.1	V32 F33 S39 H40 T158 M162 L182 Y183 L198	V32-L36 HydrophobicContact CG1-CD1 4.37Å; V32-L36 WeakPolarHBondContact O-CB 3.43Å; V32-L36 WeakPolarHBondContact O-CG 3.17Å; V32-L36 PolarHBondContact O-N 2.99Å; F33-L36 CarbonylContact O-C 3.56Å; F33-L36 WeakPolarHBondContact O-CA 3.16Å; F33-L36 PolarHBondContact O-N 2.91Å; L36-S39 VanDerWaalsContact O-CB 3.32Å; L36-S39 WeakPolarHBondContact O-CB 3.42Å; L36-S39 PolarHBondContact O-N 2.83Å; L36-S39 VanDerWaalsContact O-N 3.15Å; L36-S39 PolarHBondContact O-OG 3.19Å; L36-H40 PolarHBondContact O-CD2 3.44Å; L36-T158 HydrophobicContact CD2-CG2 3.94Å; L36-T158 HydrophobicContact CG-CG2 4.07Å; L36-M162 HydrophobicContact CD2-CG 4.27Å; L36-L182 HydrophobicContact CD1-CD1 3.71Å; L36-Y183 HydrophobicContact CD2-CE1 4.05Å; L36-Y183 VanDerWaalsContact CD2-OH 3.27Å; L36-Y183 WeakPolarHBondContact CD2-OH 3.49Å; L36-L198 HydrophobicContact CD1-CD2 4.06Å
37	M	65.8	Low	55.3	Low	41 Å²	41	50.4 Å²	50.4	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-42.8	177.5	-64.5	-59	-68.1	0	0	112.1	F33 D34 L35 S39 H40 T185 I187	F33-M37 VanDerWaalsContact O-CG 3.29Å; F33-M37 WeakPolarHBondContact O-CG 3.3Å; F33-M37 PolarHBondContact O-N 3.41Å; D34-M37 PolarHBondContact O-N 2.91Å; L35-M37 VanDerWaalsContact C-N 3.32Å; L35-M37 PolarHBondContact O-N 3.41Å; M37-S39 PolarHBondContact O-N 3.01Å; M37-H40 WeakPolarHBondContact O-CB 3.39Å; M37-H40 PolarHBondContact O-N 3.17Å; M37-T185 WeakPolarHBondContact CE-O 3.49Å; M37-I187 HydrophobicContact CE-CD1 3.74Å; M37-I187 HydrophobicContact CE-CG1 3.54Å
38	L	68.8	Low	54.8	Low	44 Å²	44	54.5 Å²	54.5	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-29.6	172.2	-73.2	177.5	0	0	0	112.5	D34 L35 H40 L41 K42 I129 L133 L155	D34-L38 WeakPolarHBondContact O-CB 3.45Å; D34-L38 VanDerWaalsContact O-CG 3.3Å; D34-L38 WeakPolarHBondContact O-CG 3.29Å; D34-L38 PolarHBondContact O-N 3.27Å; L35-L38 PolarHBondContact O-N 3.45Å; L38-H40 PolarHBondContact O-N 3.29Å; L38-L41 HydrophobicContact CD2-CD1 4.23Å; L38-L41 PolarHBondContact O-N 3.3Å; L38-K42 PolarHBondContact O-N 3.25Å; L38-I129 HydrophobicContact CD1-CB 4.5Å; L38-I129 HydrophobicContact CD1-CG1 4.3Å; L38-I129 HydrophobicContact CD1-CG2 3.48Å; L38-I129 VanDerWaalsContact CD1-CG2 3.48Å; L38-L133 HydrophobicContact CD1-CD2 3.75Å; L38-L133 HydrophobicContact CD1-CG 4.23Å; L38-L155 HydrophobicContact CB-CD2 4.07Å
39	S	62.1	Low	53.9	Low	9 Å²	9	59.7 Å²	59.7	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-22.8	175.7	87.3	0	0	0	0	113.5	L35 L36 M37 K43	L35-S39 PolarHBondContact O-N 3.31Å; L35-S39 VanDerWaalsContact O-N 3.13Å; L36-S39 VanDerWaalsContact O-CB 3.32Å; L36-S39 WeakPolarHBondContact O-CB 3.42Å; L36-S39 PolarHBondContact O-N 2.83Å; L36-S39 VanDerWaalsContact O-N 3.15Å; L36-S39 PolarHBondContact O-OG 3.19Å; M37-S39 PolarHBondContact O-N 3.01Å; S39-K43 PolarHBondContact O-N 3.45Å
40	H	58.6	Low	52.6	Low	43 Å²	43	67.6 Å²	67.6	20%	0.199	35%	0.345	C	S	.	.	H	α-helix	trans	-73.6	-45.7	169.3	-74.5	-95.5	0	0	0	111.9	L36 M37 L38 K42 K43 L44 Y183	L36-H40 PolarHBondContact O-CD2 3.44Å; M37-H40 WeakPolarHBondContact O-CB 3.39Å; M37-H40 PolarHBondContact O-N 3.17Å; L38-H40 PolarHBondContact O-N 3.29Å; H40-K42 PolarHBondContact O-N 3.49Å; H40-K43 WeakPolarHBondContact O-CB 3.28Å; H40-K43 PolarHBondContact O-N 2.87Å; H40-L44 PolarHBondContact O-N 2.58Å; H40-Y183 AromaticContact CE1-CD1 3.93Å; H40-Y183 PolarHBondContact CE1-O 2.93Å; H40-Y183 VanDerWaalsContact CE1-O 3.23Å; H40-Y183 AromaticContact NE2-CD1 3.33Å; H40-Y183 VanDerWaalsContact NE2-CD1 3.33Å; H40-Y183 WeakPolarHBondContact NE2-CD1 3.44Å
41	L	53.2	Low	51.2	Low	87 Å²	87	68.6 Å²	68.6	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-35.9	177.8	-55.6	-175.1	0	0	0	110.8	L38 K43 L44 N45	L38-L41 HydrophobicContact CD2-CD1 4.23Å; L38-L41 PolarHBondContact O-N 3.3Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 3.1Å; L41-L44 HydrophobicContact CD2-CD1 4.44Å; L41-L44 PolarHBondContact O-N 3.04Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L41-N45 PolarHBondContact O-N 2.9Å
42	K	52	Low	49.3	Very low	71 Å²	71	73.8 Å²	73.8	31%	0.309	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-34.4	171.9	-170.3	166.5	-157.3	166.8	0	113.2	L38 H40 L44 N45 S46 W152	L38-K42 PolarHBondContact O-N 3.25Å; H40-K42 PolarHBondContact O-N 3.49Å; K42-L44 VanDerWaalsContact C-N 3.25Å; K42-L44 PolarHBondContact O-N 2.88Å; K42-N45 PolarHBondContact O-N 3.38Å; K42-S46 WeakPolarHBondContact CG-OG 3.32Å; K42-S46 VanDerWaalsContact O-CB 3.25Å; K42-S46 WeakPolarHBondContact O-CB 3.38Å; K42-S46 PolarHBondContact O-N 2.89Å; K42-S46 VanDerWaalsContact O-N 3.17Å; K42-S46 PolarHBondContact O-OG 2.66Å; K42-W152 HydrophobicContact CB-CZ3 4.35Å; K42-W152 HydrophobicContact CD-CD2 4.38Å; K42-W152 HydrophobicContact CD-CE3 3.51Å; K42-W152 HydrophobicContact CD-CH2 4.46Å; K42-W152 HydrophobicContact CD-CZ3 3.57Å; K42-W152 HydrophobicContact CG-CZ3 4.2Å
43	K	50.5	Low	47.5	Very low	102 Å²	102	82 Å²	82	44%	0.443	42%	0.423	S	S	.	.	H	α-helix	trans	-70.6	-19.7	175.4	-72.6	173.1	-177.8	172.3	0	113.3	S39 H40 L41 H159	S39-K43 PolarHBondContact O-N 3.45Å; H40-K43 WeakPolarHBondContact O-CB 3.28Å; H40-K43 PolarHBondContact O-N 2.87Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 3.1Å; K43-H159 PolarHBondContact NZ-NE2 3.27Å
44	L	36.5	Very low	45.5	Very low	128 Å²	128	89.9 Å²	89.9	67%	0.67	46%	0.459	S	S	*	.	H	α-helix	trans	-88.4	-33.1	174.6	-63.3	170.3	0	0	0	112.2	H40 L41 K42	H40-L44 PolarHBondContact O-N 2.58Å; L41-L44 HydrophobicContact CD2-CD1 4.44Å; L41-L44 PolarHBondContact O-N 3.04Å; L41-L44 VanDerWaalsContact O-N 3.09Å; K42-L44 VanDerWaalsContact C-N 3.25Å; K42-L44 PolarHBondContact O-N 2.88Å
45	N	37.7	Very low	43.9	Very low	134 Å²	134	93.9 Å²	93.9	72%	0.717	48%	0.479	S	S	*	.	H	α-helix	trans	-111.8	12	-169.1	-65.3	7.2	0	0	0	115.3	L41 K42 P47	L41-N45 PolarHBondContact O-N 2.9Å; K42-N45 PolarHBondContact O-N 3.38Å; N45-P47 WeakPolarHBondContact O-CD 3.39Å
46	S	32.8	Very low	41.8	Very low	37 Å²	37	101 Å²	101	26%	0.259	52%	0.517	S	S	.	.			trans	-95.6	115.1	-178.8	-68.5	0	0	0	0	113.6	K42 L48 Y49	K42-S46 WeakPolarHBondContact CG-OG 3.32Å; K42-S46 VanDerWaalsContact O-CB 3.25Å; K42-S46 WeakPolarHBondContact O-CB 3.38Å; K42-S46 PolarHBondContact O-N 2.89Å; K42-S46 VanDerWaalsContact O-N 3.17Å; K42-S46 PolarHBondContact O-OG 2.66Å; S46-L48 PolarHBondContact O-N 3.03Å; S46-Y49 PolarHBondContact O-N 3.06Å
47	P	34.1	Very low	39.9	Very low	133 Å²	133	108.4 Å²	108.4	86%	0.864	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	2.6	172.9	30.1	-35.8	0	0	0	114.2	N45	N45-P47 WeakPolarHBondContact O-CD 3.39Å
48	L	32.8	Very low	38.1	Very low	152 Å²	152	113.8 Å²	113.8	80%	0.796	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	19.2	175.7	-63.4	177.5	0	0	0	113.1	S46 M50	S46-L48 PolarHBondContact O-N 3.03Å; L48-M50 PolarHBondContact O-N 2.67Å
49	Y	30.3	Very low	36.1	Very low	149 Å²	149	117.7 Å²	117.7	58%	0.584	61%	0.605	S	S	*	*			trans	-75.2	91.5	173.4	-169.3	-98.8	0	0	0	111.1	S46 P51	S46-Y49 PolarHBondContact O-N 3.06Å; Y49-P51 HydrophobicContact CD1-CB 4.45Å; Y49-P51 HydrophobicContact CE1-CB 4.33Å; Y49-P51 VanDerWaalsContact O-CD 3.25Å; Y49-P51 WeakPolarHBondContact O-CD 3.48Å
50	M	26.1	Very low	34.4	Very low	168 Å²	168	124.8 Å²	124.8	83%	0.828	64%	0.642	S	S	*	*			trans	-59.3	112.6	162.9	-89.5	-78.6	157.3	0	0	109.2	L48 V52	L48-M50 PolarHBondContact O-N 2.67Å; M50-V52 PolarHBondContact O-N 2.92Å
51	P	28.7	Very low	33	Very low	74 Å²	74	126.7 Å²	126.7	48%	0.481	66%	0.659	S	S	.	*			trans	-75.6	127.2	-173.9	30	-33.5	0	0	0	110.4	Y49 K53	Y49-P51 HydrophobicContact CD1-CB 4.45Å; Y49-P51 HydrophobicContact CE1-CB 4.33Å; Y49-P51 VanDerWaalsContact O-CD 3.25Å; Y49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-K53 HydrophobicContact CB-CG 4.24Å; P51-K53 HydrophobicContact CG-CG 4.21Å; P51-K53 PolarHBondContact O-N 3.07Å
52	V	29.9	Very low	31.8	Very low	114 Å²	114	131 Å²	131	69%	0.691	67%	0.674	S	S	*	*			trans	-72.9	77.3	166.6	-176	0	0	0	0	108.3	M50 H54	M50-V52 PolarHBondContact O-N 2.92Å; V52-H54 PolarHBondContact O-N 2.93Å
53	K	28.5	Very low	30.7	Very low	175 Å²	175	135.6 Å²	135.6	76%	0.761	70%	0.697	S	S	*	*			trans	-68.3	80.4	173.5	-73.6	-174.3	175.3	-176.7	0	109.8	P51	P51-K53 HydrophobicContact CB-CG 4.24Å; P51-K53 HydrophobicContact CG-CG 4.21Å; P51-K53 PolarHBondContact O-N 3.07Å
54	H	26	Very low	29.6	Very low	171 Å²	171	139.8 Å²	139.8	79%	0.792	72%	0.717	S	S	*	*			trans	176.3	56	146.2	-94.1	-59	0	0	0	113.3	V52	V52-H54 PolarHBondContact O-N 2.93Å
55	I	29.5	Very low	29.1	Very low	136 Å²	136	141.9 Å²	141.9	70%	0.697	72%	0.723	S	S	*	*			trans	-131.7	47	159.2	-39.9	-179.6	0	0	0	111.2
56	N	26.3	Very low	28.8	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	73%	0.727	S	S	*	*			trans	-109.1	91	161.4	-75.7	11	0	0	0	107.6
57	H	27.7	Very low	28.5	Very low	158 Å²	158	148.3 Å²	148.3	73%	0.731	75%	0.748	S	S	*	*	S	Bend	trans	172.4	38.8	157.2	-93	-63.5	0	0	0	112
58	I	27.9	Very low	28.4	Very low	155 Å²	155	150.5 Å²	150.5	80%	0.795	75%	0.749	S	S	*	*			trans	-131.5	70.5	156.9	-51	-178.5	0	0	0	108
59	T	27.3	Very low	28.2	Very low	126 Å²	126	150.3 Å²	150.3	77%	0.773	75%	0.749	S	S	*	*			trans	-122.5	85.1	169	47.9	0	0	0	0	107.5
60	N	27.1	Very low	28.3	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	76%	0.755	S	S	*	*			trans	-164.9	155.6	162.9	-107.9	-7.3	0	0	0	110
61	P	28.2	Very low	28.5	Very low	84 Å²	84	145 Å²	145	55%	0.545	75%	0.748	S	S	.	*				-126.6	158.4	-113.5	38.9	-27.3	0	0	0	114.4
62	F	28.9	Very low	28.7	Very low	176 Å²	176	148.7 Å²	148.7	77%	0.772	76%	0.763	S	S	*	*			trans	-129.8	94.1	151.6	-89.2	-83	0	0	0	108
63	E	28	Very low	28.8	Very low	169 Å²	169	148.8 Å²	148.8	79%	0.79	76%	0.764	S	S	*	*			trans	-70.4	163.7	166	-68.1	-176.1	108.2	0	0	110.5	H65	E63-H65 PolarHBondContact O-N 3.04Å
64	H	27.1	Very low	28.9	Very low	190 Å²	190	148.1 Å²	148.1	88%	0.88	77%	0.768	S	S	*	*			trans	-69.6	118.1	177.7	-73.9	-98.4	0	0	0	111.4
65	H	27	Very low	29	Very low	171 Å²	171	147.3 Å²	147.3	79%	0.792	77%	0.769	S	S	*	*			trans	-137.5	158.4	155.5	-89.3	-58	0	0	0	111.7	E63	E63-H65 PolarHBondContact O-N 3.04Å
66	H	30.5	Very low	29.2	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.796	78%	0.776	S	S	*	*			trans	79.5	128.2	-168.1	-49.8	-54.7	0	0	0	116
67	L	27.8	Very low	29.6	Very low	134 Å²	134	145.1 Å²	145.1	70%	0.702	78%	0.778	S	S	*	*			cis	-167.6	108.7	-19.5	-129.1	169.4	0	0	0	109.2
68	M	31.4	Very low	29.9	Very low	180 Å²	180	140.7 Å²	140.7	89%	0.887	77%	0.774	S	S	*	*			trans	-158.1	83.5	161	-89.1	-47	157.6	0	0	113
69	N	28	Very low	30.2	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	78%	0.782	S	S	*	*			trans	58.1	160.1	148.8	-79.7	-1.4	0	0	0	122.6
70	P	31.9	Very low	30.4	Very low	109 Å²	109	148.4 Å²	148.4	71%	0.708	79%	0.785	S	S	*	*			trans	-123	168.6	-150.2	43	-31.6	0	0	0	115.7
71	S	31.6	Very low	30.5	Very low	97 Å²	97	147.8 Å²	147.8	68%	0.678	78%	0.781	S	S	*	*				173.6	150.2	116.2	46	0	0	0	0	112.7
72	N	31.8	Very low	30.7	Very low	150 Å²	150	151.6 Å²	151.6	80%	0.802	80%	0.795	S	S	*	*			trans	69.2	145.3	156.6	-59.5	-18.1	0	0	0	118.1
73	V	32.2	Very low	30.7	Very low	116 Å²	116	154.6 Å²	154.6	70%	0.703	80%	0.801	S	S	*	*			cis	-163.4	154.9	-10.5	113.5	0	0	0	0	111.7
74	L	31.1	Very low	30.8	Very low	162 Å²	162	150.9 Å²	150.9	85%	0.848	80%	0.799	S	S	*	*			trans	71.9	155.5	161.5	-85.3	166	0	0	0	122.9
75	N	27.9	Very low	31	Very low	154 Å²	154	146.8 Å²	146.8	82%	0.824	79%	0.792	S	S	*	*			trans	-117.3	164.5	-174.2	-73.9	-57	0	0	0	112.3
76	S	33.2	Very low	31.1	Very low	120 Å²	120	145.2 Å²	145.2	84%	0.839	80%	0.795	S	S	*	*				-171.2	160	123.1	49.4	0	0	0	0	115.5
77	S	35.1	Very low	31.2	Very low	120 Å²	120	142.2 Å²	142.2	84%	0.839	79%	0.793	S	S	*	*			trans	-49.6	168	179.3	50	0	0	0	0	119.3
78	G	34.4	Very low	31.4	Very low	64 Å²	64	140 Å²	140	66%	0.66	79%	0.789	S	S	*	*			cis	153.1	-171.1	-0.7	0	0	0	0	0	114.7
79	R	33.1	Very low	31.4	Very low	251 Å²	251	140.2 Å²	140.2	95%	0.947	79%	0.788	S	S	*	*			trans	84.1	135.1	-177.9	-50.6	177.1	-176.4	-168.4	0.6	115
80	K	31.9	Very low	31.5	Very low	193 Å²	193	137.5 Å²	137.5	84%	0.839	78%	0.78	S	S	*	*			cis	77	140.7	23.4	-73.3	-172.6	165.2	-175.5	0	115.5
81	L	29.7	Very low	31.5	Very low	144 Å²	144	140.3 Å²	140.3	75%	0.754	78%	0.784	S	S	*	*			cis	-170.9	-178.9	-6.8	-123.7	171	0	0	0	109.9
82	I	32.5	Very low	31.4	Very low	163 Å²	163	141.3 Å²	141.3	84%	0.836	78%	0.781	S	S	*	*			trans	142.2	162.2	144.7	-72.7	167.9	0	0	0	116.9
83	R	28	Very low	31.5	Very low	239 Å²	239	141.8 Å²	141.8	90%	0.902	78%	0.778	S	S	*	*			trans	-140.8	179.3	-169.6	-88.1	-176.3	171.3	-173.6	-2.2	111.3
84	A	29.9	Very low	31.4	Very low	91 Å²	91	143 Å²	143	75%	0.752	78%	0.78	S	S	*	*			cis	167.9	132.6	-39	0	0	0	0	0	111
85	S	31.7	Very low	31.2	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	78%	0.78	S	S	*	*			trans	-166.2	129.2	-177.5	47	0	0	0	0	110.4
86	T	28.8	Very low	31.2	Very low	138 Å²	138	141.4 Å²	141.4	85%	0.847	78%	0.781	S	S	*	*				57.2	132.6	73.7	61.3	0	0	0	0	114.7
87	S	33	Very low	30.9	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	78%	0.783	S	S	*	*			cis	-148.8	-156.3	1.7	56.2	0	0	0	0	109.6
88	S	33.3	Very low	30.7	Very low	87 Å²	87	147 Å²	147	61%	0.608	79%	0.786	S	S	*	*			cis	-169.6	158.8	-0.9	18.4	0	0	0	0	109.8
89	E	30.2	Very low	30.3	Very low	185 Å²	185	151.5 Å²	151.5	86%	0.864	80%	0.795	S	S	*	*			trans	49.7	151.2	150.8	-66.8	166	157.7	0	0	122
90	S	31.2	Very low	30.2	Very low	90 Å²	90	146.9 Å²	146.9	63%	0.629	78%	0.784	S	S	*	*			cis	-173.8	138.5	-20.5	54.1	0	0	0	0	111.4
91	Q	31.3	Very low	30.1	Very low	169 Å²	169	146 Å²	146	79%	0.79	79%	0.788	S	S	*	*			trans	61.6	149.9	158.7	-67.1	178.3	-98.3	0	0	118.7
92	D	30.3	Very low	30.1	Very low	117 Å²	117	143.8 Å²	143.8	63%	0.626	78%	0.777	S	S	*	*			cis	-158.3	176.6	-5	-116	-30.5	0	0	0	112.3
93	H	32.5	Very low	30	Very low	160 Å²	160	144 Å²	144	74%	0.741	77%	0.774	S	S	*	*			trans	75.2	98.4	162.5	-75.7	-72	0	0	0	123.4
94	L	30	Very low	30.1	Very low	143 Å²	143	141.2 Å²	141.2	75%	0.749	78%	0.776	S	S	*	*			trans	53.8	122.9	130.6	-85.7	72.8	0	0	0	123.9
95	L	26.7	Very low	30	Very low	159 Å²	159	142.8 Å²	142.8	83%	0.832	77%	0.772	S	S	*	*			trans	50.4	99.4	147.9	-76.3	91.1	0	0	0	120.3
96	S	29.6	Very low	29.9	Very low	123 Å²	123	144.2 Å²	144.2	86%	0.86	77%	0.772	S	S	*	*				-161.2	161.2	110.9	46.8	0	0	0	0	111
97	N	25.7	Very low	30	Very low	161 Å²	161	145.7 Å²	145.7	86%	0.861	77%	0.769	S	S	*	*			trans	-86.6	132.4	178	-67.7	-43.1	0	0	0	110.7
98	Q	30.1	Very low	30	Very low	196 Å²	196	145.3 Å²	145.3	92%	0.916	77%	0.766	S	S	*	*			trans	-159.1	144.7	134.4	-114	159.5	-1.3	0	0	111.5
99	N	26.7	Very low	29.8	Very low	158 Å²	158	150.7 Å²	150.7	85%	0.845	78%	0.781	S	S	*	*			trans	-89.7	144.4	168.3	-45.4	-76.9	0	0	0	107.8
100	E	31.2	Very low	29.8	Very low	155 Å²	155	147 Å²	147	72%	0.724	77%	0.771	S	S	*	*			trans	-160.9	115.1	150.1	-118.3	-176.7	-130.1	0	0	113.1	N102	E100-N102 WeakPolarHBondContact CG-ND2 3.24Å; E100-N102 WeakPolarHBondContact CG-OD1 3.49Å; E100-N102 PolarHBondContact OE2-ND2 3.33Å; E100-N102 PolarHBondContact OE2-OD1 2.9Å
101	L	29.1	Very low	29.5	Very low	173 Å²	173	147.3 Å²	147.3	91%	0.906	77%	0.771	S	S	*	*			trans	-160.2	69	146.5	-150.8	81	0	0	0	108.1
102	N	29.8	Very low	29.3	Very low	98 Å²	98	147.9 Å²	147.9	52%	0.524	78%	0.777	S	S	.	*				87.7	138.9	74.9	-85.5	-35.4	0	0	0	114.9	E100	E100-N102 WeakPolarHBondContact CG-ND2 3.24Å; E100-N102 WeakPolarHBondContact CG-OD1 3.49Å; E100-N102 PolarHBondContact OE2-ND2 3.33Å; E100-N102 PolarHBondContact OE2-OD1 2.9Å
103	Q	30.4	Very low	29.3	Very low	167 Å²	167	149 Å²	149	78%	0.78	78%	0.779	S	S	*	*			trans	75.5	81.7	167.4	-64.5	166.5	19.2	0	0	118.1
104	L	29.7	Very low	29.1	Very low	181 Å²	181	146.5 Å²	146.5	95%	0.948	78%	0.779	S	S	*	*				-156.1	121.8	115.3	-107.5	166.6	0	0	0	109.4
105	D	28.4	Very low	29	Very low	125 Å²	125	148.6 Å²	148.6	67%	0.668	78%	0.783	S	S	*	*			trans	-96.7	175.4	-158.2	-61.9	-74	0	0	0	116
106	N	30.4	Very low	29	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	77%	0.773	S	S	*	*			trans	87.4	117.4	150.8	-67.2	-44.7	0	0	0	120.6
107	H	31.4	Very low	29.4	Very low	169 Å²	169	143.3 Å²	143.3	78%	0.782	76%	0.757	S	S	*	*			trans	46.3	108.7	141.5	-63	-74.6	0	0	0	117.9
108	S	31.2	Very low	30.6	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	75%	0.745	S	S	*	*				-169.9	159.7	66.7	-67.9	0	0	0	0	113.2	V110	S108-V110 PolarHBondContact O-N 3.37Å
109	Q	29.4	Very low	31.7	Very low	200 Å²	200	138.1 Å²	138.1	94%	0.935	74%	0.735	S	S	*	*			trans	-69.6	91	162.3	-68.2	164.6	-58	0	0	109.7
110	V	30.6	Very low	33.3	Very low	109 Å²	109	135.2 Å²	135.2	66%	0.661	72%	0.719	S	S	*	*			trans	-70.7	129.2	168.2	-174.7	0	0	0	0	108	S108	S108-V110 PolarHBondContact O-N 3.37Å
111	P	26.1	Very low	34.7	Very low	96 Å²	96	133.4 Å²	133.4	62%	0.623	71%	0.714	S	S	*	*			trans	-58.9	163.8	176.4	-24.8	34.5	0	0	0	112.4	Q113	P111-Q113 PolarHBondContact O-N 3Å
112	I	26.9	Very low	36.7	Very low	180 Å²	180	129.1 Å²	129.1	92%	0.923	69%	0.692	S	S	*	*			trans	-67.2	83.8	162.1	-58.9	172.1	0	0	0	107.4	S114	I112-S114 PolarHBondContact O-N 3.26Å
113	Q	30.1	Very low	38.8	Very low	142 Å²	142	126.4 Å²	126.4	66%	0.664	68%	0.68	S	S	*	*			trans	-68.3	125.6	171.4	-70.2	-174.5	-14.7	0	0	107.9	P111 F115	P111-Q113 PolarHBondContact O-N 3Å; Q113-F115 PolarHBondContact O-N 2.97Å
114	S	28.1	Very low	41.1	Very low	106 Å²	106	122.7 Å²	122.7	74%	0.741	67%	0.666	S	S	*	*			trans	-60.6	109.4	173.8	50.1	0	0	0	0	109.7	I112 P116	I112-S114 PolarHBondContact O-N 3.26Å; S114-P116 WeakPolarHBondContact O-CD 3.39Å; S114-P116 WeakPolarHBondContact O-CG 3.4Å
115	F	27.7	Very low	43.7	Very low	188 Å²	188	118.9 Å²	118.9	83%	0.825	64%	0.643	S	S	*	*			trans	-59.8	112.7	171.6	-82.7	-80.1	0	0	0	110.5	Q113	Q113-F115 PolarHBondContact O-N 2.97Å
116	P	26.9	Very low	46.4	Very low	95 Å²	95	113.6 Å²	113.6	62%	0.617	61%	0.614	S	S	*	*			trans	-87.7	152.9	179.6	-4.1	25	0	0	0	111.7	S114 N118	S114-P116 WeakPolarHBondContact O-CD 3.39Å; S114-P116 WeakPolarHBondContact O-CG 3.4Å; P116-N118 PolarHBondContact O-N 2.96Å
117	S	36.7	Very low	49.1	Very low	75 Å²	75	110.9 Å²	110.9	52%	0.524	60%	0.599	S	S	.	*			trans	59	18.7	151.8	54	0	0	0	0	121.1	D119 I120	S117-D119 PolarHBondContact O-N 3.29Å; S117-D119 VanDerWaalsContact O-N 3.12Å; S117-I120 PolarHBondContact O-N 3.2Å; S117-I120 VanDerWaalsContact O-N 3.11Å
118	N	51	Low	51.7	Low	117 Å²	117	105.8 Å²	105.8	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-55	-30.1	173.6	-82.8	-22.7	0	0	0	114.4	P116 I120 L122	P116-N118 PolarHBondContact O-N 2.96Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.48Å; N118-L122 PolarHBondContact O-N 3.22Å
119	D	53.4	Low	54.3	Low	131 Å²	131	101.5 Å²	101.5	70%	0.701	55%	0.551	S	S	*	*	H	α-helix	trans	-70.8	-24.1	-179.7	-59.6	-56.9	0	0	0	113.6	S117 S123	S117-D119 PolarHBondContact O-N 3.29Å; S117-D119 VanDerWaalsContact O-N 3.12Å; D119-S123 WeakPolarHBondContact O-CB 3.49Å; D119-S123 PolarHBondContact O-N 3.47Å; D119-S123 VanDerWaalsContact O-N 3.11Å; D119-S123 PolarHBondContact O-OG 3.19Å
120	I	60.2	Low	57.1	Low	97 Å²	97	92 Å²	92	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-72.2	-46	180	-60.3	-177.1	0	0	0	109.7	S117 N118 S123 N124	S117-I120 PolarHBondContact O-N 3.2Å; S117-I120 VanDerWaalsContact O-N 3.11Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.48Å; I120-S123 PolarHBondContact O-N 3.06Å; I120-S123 PolarHBondContact O-OG 2.87Å; I120-S123 VanDerWaalsContact O-OG 3.06Å; I120-N124 WeakPolarHBondContact O-CB 3.34Å; I120-N124 VanDerWaalsContact O-CG 3.25Å; I120-N124 PolarHBondContact O-N 2.79Å; I120-N124 PolarHBondContact O-ND2 3.07Å
121	D	62.4	Low	59.8	Low	117 Å²	117	91.8 Å²	91.8	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-68.3	-37.5	178.3	-77.1	-13.8	0	0	0	112.4	H125	D121-H125 VanDerWaalsContact O-CB 3.27Å; D121-H125 WeakPolarHBondContact O-CB 3.46Å; D121-H125 PolarHBondContact O-N 2.74Å
122	L	69.4	Low	62.6	Low	84 Å²	84	92.2 Å²	92.2	44%	0.44	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-43.2	176.6	-175.1	60.1	0	0	0	111.8	N118 H125 E126 W152	N118-L122 PolarHBondContact O-N 3.22Å; L122-H125 PolarHBondContact O-N 3.41Å; L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.94Å; L122-W152 HydrophobicContact CD1-CZ2 4.27Å
123	S	74.1	Confident	65.1	Low	41 Å²	41	83.8 Å²	83.8	29%	0.287	46%	0.457	S	S	.	.	H	α-helix	trans	-70.3	-40.1	177.9	53.6	0	0	0	0	112.6	D119 I120 H125 E126 I127	D119-S123 WeakPolarHBondContact O-CB 3.49Å; D119-S123 PolarHBondContact O-N 3.47Å; D119-S123 VanDerWaalsContact O-N 3.11Å; D119-S123 PolarHBondContact O-OG 3.19Å; I120-S123 PolarHBondContact O-N 3.06Å; I120-S123 PolarHBondContact O-OG 2.87Å; I120-S123 VanDerWaalsContact O-OG 3.06Å; S123-H125 VanDerWaalsContact C-N 3.3Å; S123-H125 PolarHBondContact O-N 3.39Å; S123-E126 PolarHBondContact O-N 3.03Å; S123-I127 VanDerWaalsContact O-CG1 3.31Å; S123-I127 WeakPolarHBondContact O-CG1 3.36Å; S123-I127 PolarHBondContact O-N 3.17Å
124	N	79.7	Confident	67.3	Low	89 Å²	89	79.3 Å²	79.3	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-58.4	-40.8	170.6	-77.1	-30.7	0	0	0	112.1	I120 I127 S128	I120-N124 WeakPolarHBondContact O-CB 3.34Å; I120-N124 VanDerWaalsContact O-CG 3.25Å; I120-N124 PolarHBondContact O-N 2.79Å; I120-N124 PolarHBondContact O-ND2 3.07Å; N124-I127 PolarHBondContact O-N 3Å; N124-S128 WeakPolarHBondContact O-CB 3.47Å; N124-S128 PolarHBondContact O-N 2.89Å
125	H	83.5	Confident	69.4	Low	101 Å²	101	76.2 Å²	76.2	47%	0.468	43%	0.426	S	S	.	.	H	α-helix	trans	-67.9	-40.4	177.2	-169.4	91.4	0	0	0	112.5	D121 L122 S123 S128 I129 W152	D121-H125 VanDerWaalsContact O-CB 3.27Å; D121-H125 WeakPolarHBondContact O-CB 3.46Å; D121-H125 PolarHBondContact O-N 2.74Å; L122-H125 PolarHBondContact O-N 3.41Å; S123-H125 VanDerWaalsContact C-N 3.3Å; S123-H125 PolarHBondContact O-N 3.39Å; H125-S128 WeakPolarHBondContact O-CB 3.27Å; H125-S128 PolarHBondContact O-N 3.31Å; H125-I129 VanDerWaalsContact CD2-CD1 3.48Å; H125-I129 WeakPolarHBondContact CD2-CD1 3.48Å; H125-I129 WeakPolarHBondContact O-CG1 3.17Å; H125-I129 PolarHBondContact O-N 2.94Å; H125-W152 AromaticContact CD2-CH2 3.74Å; H125-W152 AromaticContact CD2-CZ2 3.61Å; H125-W152 AromaticContact NE2-CH2 3.75Å
126	E	84.6	Confident	72	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.065	39%	0.389	C	S	.	.	H	α-helix	trans	-61.9	-45.1	173.5	-74.9	-175.4	-172.8	0	0	112.4	L122 S123 S128 I129 C130 T148 G149 I151 W152	L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.94Å; S123-E126 PolarHBondContact O-N 3.03Å; E126-S128 VanDerWaalsContact C-N 3.33Å; E126-S128 PolarHBondContact O-N 3.17Å; E126-I129 PolarHBondContact O-N 3.23Å; E126-C130 PolarHBondContact O-N 3.18Å; E126-C130 PolarHBondContact O-SG 3.49Å; E126-C130 VanDerWaalsContact O-SG 3.33Å; E126-T148 WeakPolarHBondContact OE2-CA 3.42Å; E126-T148 WeakPolarHBondContact OE2-CG2 3.33Å; E126-G149 WeakPolarHBondContact OE1-CA 3.37Å; E126-G149 PolarHBondContact OE1-N 3.45Å; E126-G149 PolarHBondContact OE2-N 2.6Å; E126-I151 HydrophobicContact CB-CG2 4.1Å; E126-I151 HydrophobicContact CG-CG2 3.82Å; E126-W152 PolarHBondContact OE1-NE1 2.97Å
127	I	87.2	Confident	74.8	Confident	77 Å²	77	63.9 Å²	63.9	40%	0.395	36%	0.364	S	S	.	.	H	α-helix	trans	-57.4	-49	174.8	-69.8	165.1	0	0	0	109.9	S123 N124 I129 C130 H131 L145	S123-I127 VanDerWaalsContact O-CG1 3.31Å; S123-I127 WeakPolarHBondContact O-CG1 3.36Å; S123-I127 PolarHBondContact O-N 3.17Å; N124-I127 PolarHBondContact O-N 3Å; I127-I129 PolarHBondContact O-N 3Å; I127-C130 PolarHBondContact O-N 3.12Å; I127-C130 VanDerWaalsContact O-N 3.15Å; I127-H131 PolarHBondContact O-CD2 2.94Å; I127-H131 VanDerWaalsContact O-CD2 3.23Å; I127-H131 PolarHBondContact O-N 3.24Å; I127-L145 HydrophobicContact CB-CD2 4.17Å; I127-L145 HydrophobicContact CG1-CD2 4.04Å; I127-L145 HydrophobicContact CG2-CD2 3.98Å
128	S	85.7	Confident	77.3	Confident	63 Å²	63	66.4 Å²	66.4	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-54	-50.5	176.7	-171.8	0	0	0	0	111.6	N124 H125 E126 C130 H131 T132	N124-S128 WeakPolarHBondContact O-CB 3.47Å; N124-S128 PolarHBondContact O-N 2.89Å; H125-S128 WeakPolarHBondContact O-CB 3.27Å; H125-S128 PolarHBondContact O-N 3.31Å; E126-S128 VanDerWaalsContact C-N 3.33Å; E126-S128 PolarHBondContact O-N 3.17Å; S128-C130 PolarHBondContact O-N 3.42Å; S128-H131 PolarHBondContact O-N 3.07Å; S128-H131 VanDerWaalsContact O-N 3.09Å; S128-T132 WeakPolarHBondContact O-CB 3.33Å; S128-T132 PolarHBondContact O-N 3.39Å; S128-T132 PolarHBondContact O-OG1 3.05Å; S128-T132 VanDerWaalsContact O-OG1 3.06Å
129	I	86	Confident	79.1	Confident	9 Å²	9	65.9 Å²	65.9	5%	0.046	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-46.7	176.3	-64.6	164.7	0	0	0	111.7	L38 H125 E126 I127 H131 T132 L133 I151 W152	L38-I129 HydrophobicContact CD1-CB 4.5Å; L38-I129 HydrophobicContact CD1-CG1 4.3Å; L38-I129 HydrophobicContact CD1-CG2 3.48Å; L38-I129 VanDerWaalsContact CD1-CG2 3.48Å; H125-I129 VanDerWaalsContact CD2-CD1 3.48Å; H125-I129 WeakPolarHBondContact CD2-CD1 3.48Å; H125-I129 WeakPolarHBondContact O-CG1 3.17Å; H125-I129 PolarHBondContact O-N 2.94Å; E126-I129 PolarHBondContact O-N 3.23Å; I127-I129 PolarHBondContact O-N 3Å; I129-H131 PolarHBondContact O-N 3.21Å; I129-T132 PolarHBondContact O-N 3.06Å; I129-L133 HydrophobicContact CG2-CD1 3.62Å; I129-L133 HydrophobicContact CG2-CG 3.88Å; I129-L133 VanDerWaalsContact O-CG 3.32Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 3.44Å; I129-I151 HydrophobicContact CB-CG1 4.41Å; I129-I151 HydrophobicContact CG2-CD1 4.21Å; I129-I151 HydrophobicContact CG2-CG1 3.59Å; I129-W152 HydrophobicContact CD1-CH2 3.7Å; I129-W152 HydrophobicContact CD1-CZ2 4.06Å; I129-W152 HydrophobicContact CD1-CZ3 4.06Å
130	C	88.6	Confident	80.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-26.1	179.2	-68.7	0	0	0	0	113.2	E126 I127 S128 R141 C144 L145	E126-C130 PolarHBondContact O-N 3.18Å; E126-C130 PolarHBondContact O-SG 3.49Å; E126-C130 VanDerWaalsContact O-SG 3.33Å; I127-C130 PolarHBondContact O-N 3.12Å; I127-C130 VanDerWaalsContact O-N 3.15Å; S128-C130 PolarHBondContact O-N 3.42Å; C130-R141 WeakPolarHBondContact O-CG 3.42Å; C130-R141 PolarHBondContact O-NE 3.34Å; C130-C144 VanDerWaalsContact CA-SG 3.58Å; C130-C144 HydrophobicContact CB-CB 3.72Å; C130-C144 WeakPolarHBondContact CB-SG 3.35Å; C130-C144 WeakPolarHBondContact SG-CB 3.11Å; C130-C144 CovalentContact SG-SG 2.04Å; C130-C144 PolarHBondContact SG-SG 3.02Å; C130-L145 HydrophobicContact CB-CD2 3.65Å; C130-L145 HydrophobicContact CB-CG 4Å
131	H	87.8	Confident	82.5	Confident	103 Å²	103	57.9 Å²	57.9	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-83.6	-46.1	171.8	-77.7	-78.5	0	0	0	112.9	I127 S128 I129 R141	I127-H131 PolarHBondContact O-CD2 2.94Å; I127-H131 VanDerWaalsContact O-CD2 3.23Å; I127-H131 PolarHBondContact O-N 3.24Å; S128-H131 PolarHBondContact O-N 3.07Å; S128-H131 VanDerWaalsContact O-N 3.09Å; I129-H131 PolarHBondContact O-N 3.21Å; H131-R141 PolarHBondContact O-NH2 3.43Å
132	T	84.7	Confident	83.9	Confident	106 Å²	106	59.4 Å²	59.4	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-69.4	-31.7	-173.9	-60.1	0	0	0	0	114.4	S128 I129 S134	S128-T132 WeakPolarHBondContact O-CB 3.33Å; S128-T132 PolarHBondContact O-N 3.39Å; S128-T132 PolarHBondContact O-OG1 3.05Å; S128-T132 VanDerWaalsContact O-OG1 3.06Å; I129-T132 PolarHBondContact O-N 3.06Å; T132-S134 PolarHBondContact O-N 3.35Å; T132-S134 VanDerWaalsContact O-N 3.1Å
133	L	79.1	Confident	85.1	Confident	3 Å²	3	56 Å²	56	2%	0.016	30%	0.295	C	S	.	.	S	Bend	trans	-57.9	113.8	178.8	-76.9	169.2	0	0	0	111.7	D34 L35 L38 I129 L136 I151	D34-L133 HydrophobicContact CB-CD2 3.46Å; D34-L133 VanDerWaalsContact CB-CD2 3.46Å; L35-L133 HydrophobicContact CB-CD2 4.17Å; L38-L133 HydrophobicContact CD1-CD2 3.75Å; L38-L133 HydrophobicContact CD1-CG 4.23Å; I129-L133 HydrophobicContact CG2-CD1 3.62Å; I129-L133 HydrophobicContact CG2-CG 3.88Å; I129-L133 VanDerWaalsContact O-CG 3.32Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 3.44Å; L133-L136 HydrophobicContact CB-CD1 3.67Å; L133-L136 HydrophobicContact CB-CG 3.86Å; L133-L136 HydrophobicContact CD1-CD1 3.84Å; L133-L136 HydrophobicContact CG-CD1 4.41Å; L133-I151 HydrophobicContact CD1-CD1 3.64Å; L133-I151 HydrophobicContact CD1-CG1 4.39Å
134	S	75.8	Confident	85.9	Confident	48 Å²	48	54.3 Å²	54.3	34%	0.336	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	142.4	-177.7	82.1	0	0	0	0	110.7	W31 D34 T132 L136	W31-S134 WeakPolarHBondContact CA-O 3.47Å; W31-S134 WeakPolarHBondContact CB-O 3.32Å; W31-S134 PolarHBondContact N-O 2.99Å; D34-S134 WeakPolarHBondContact OD2-CA 3.42Å; D34-S134 WeakPolarHBondContact OD2-CB 3.46Å; D34-S134 PolarHBondContact OD2-N 3.4Å; D34-S134 PolarHBondContact OD2-OG 2.92Å; T132-S134 PolarHBondContact O-N 3.35Å; T132-S134 VanDerWaalsContact O-N 3.1Å; S134-L136 VanDerWaalsContact C-N 3.28Å; S134-L136 PolarHBondContact O-N 2.98Å
135	G	73.5	Confident	86.6	Confident	41 Å²	41	53.5 Å²	53.5	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	6.6	178.3	0	0	0	0	0	116.2	T137	G135-T137 PolarHBondContact O-N 3.49Å
136	L	82.3	Confident	87	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.047	28%	0.278	C	S	.	.			trans	-66.1	127.6	160.2	-74.4	-175.2	0	0	0	109.2	W31 L133 S134 Q140 F273	W31-L136 HydrophobicContact CB-CD2 3.73Å; W31-L136 HydrophobicContact CB-CG 3.96Å; W31-L136 HydrophobicContact CD2-CD2 3.63Å; W31-L136 HydrophobicContact CE3-CD2 3.68Å; W31-L136 HydrophobicContact CG-CD2 3.68Å; W31-L136 HydrophobicContact CG-CG 4.42Å; W31-L136 HydrophobicContact CZ3-CD2 4.42Å; L133-L136 HydrophobicContact CB-CD1 3.67Å; L133-L136 HydrophobicContact CB-CG 3.86Å; L133-L136 HydrophobicContact CD1-CD1 3.84Å; L133-L136 HydrophobicContact CG-CD1 4.41Å; S134-L136 VanDerWaalsContact C-N 3.28Å; S134-L136 PolarHBondContact O-N 2.98Å; L136-Q140 HydrophobicContact CB-CB 4.38Å; L136-Q140 HydrophobicContact CD2-CB 4.06Å; L136-F273 HydrophobicContact CD1-CZ 4.43Å; L136-F273 HydrophobicContact CD2-CE1 3.77Å; L136-F273 HydrophobicContact CD2-CZ 3.67Å
137	T	85.7	Confident	87.4	Confident	15 Å²	15	54 Å²	54	9%	0.092	28%	0.281	C	S	.	.			trans	-70.2	156.9	175.1	96.1	0	0	0	0	110.4	G135 R139 Q140 R141 N277 E280	G135-T137 PolarHBondContact O-N 3.49Å; T137-R139 PolarHBondContact O-N 2.66Å; T137-R139 VanDerWaalsContact O-N 3.08Å; T137-Q140 WeakPolarHBondContact O-CA 3.06Å; T137-Q140 WeakPolarHBondContact O-CB 3.31Å; T137-Q140 PolarHBondContact O-N 3.27Å; T137-R141 PolarHBondContact O-N 2.8Å; T137-N277 HydrophobicContact CG2-CB 4.36Å; T137-E280 WeakPolarHBondContact CB-OE2 3.13Å; T137-E280 WeakPolarHBondContact CG2-OE2 3.39Å; T137-E280 PolarHBondContact OG1-OE2 3.19Å
138	N	88.4	Confident	87.6	Confident	128 Å²	128	53.8 Å²	53.8	68%	0.684	28%	0.283	S	S	*	.	H	α-helix	trans	-55.7	-32.6	-177.5	-72.3	-27.5	0	0	0	112.6	Y142	N138-Y142 WeakPolarHBondContact O-CB 3.36Å; N138-Y142 PolarHBondContact O-N 2.96Å
139	R	89.3	Confident	87.9	Confident	106 Å²	106	51 Å²	51	40%	0.4	26%	0.264	S	S	.	.	H	α-helix	trans	-68.1	-41.1	173.5	-176.2	177.4	174.4	-153.4	-0.6	112.2	T137 I143 E279	T137-R139 PolarHBondContact O-N 2.66Å; T137-R139 VanDerWaalsContact O-N 3.08Å; R139-I143 HydrophobicContact CG-CD1 4.19Å; R139-I143 WeakPolarHBondContact O-CD1 3.47Å; R139-I143 VanDerWaalsContact O-CG1 3.23Å; R139-I143 WeakPolarHBondContact O-CG1 3.29Å; R139-I143 PolarHBondContact O-N 2.92Å; R139-I143 VanDerWaalsContact O-N 3.11Å; R139-E279 IonicContact CZ-OE2 3.45Å; R139-E279 IonicContact NH1-OE2 2.92Å; R139-E279 PolarHBondContact NH1-OE2 2.97Å; R139-E279 IonicContact NH2-OE2 3.87Å; R139-E279 PolarHBondContact NH2-OE2 2.79Å; R139-E279 VanDerWaalsContact NH2-OE2 3.08Å
140	Q	91.7	Very high	88.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-42.8	175.8	-64.6	178.5	-52	0	0	111.8	L136 T137 Y142 I143 C144 F273 A276	L136-Q140 HydrophobicContact CB-CB 4.38Å; L136-Q140 HydrophobicContact CD2-CB 4.06Å; T137-Q140 WeakPolarHBondContact O-CA 3.06Å; T137-Q140 WeakPolarHBondContact O-CB 3.31Å; T137-Q140 PolarHBondContact O-N 3.27Å; Q140-Y142 VanDerWaalsContact C-N 3.35Å; Q140-Y142 PolarHBondContact O-N 3.21Å; Q140-I143 PolarHBondContact O-N 3.17Å; Q140-C144 WeakPolarHBondContact O-CB 3.43Å; Q140-C144 PolarHBondContact O-N 3.22Å; Q140-F273 HydrophobicContact CB-CE1 4.15Å; Q140-F273 HydrophobicContact CB-CE2 4.27Å; Q140-F273 HydrophobicContact CB-CZ 4.01Å; Q140-F273 HydrophobicContact CG-CD1 4.38Å; Q140-F273 HydrophobicContact CG-CE1 4.32Å; Q140-F273 PolarHBondContact NE2-O 3.16Å; Q140-F273 WeakPolarHBondContact O-CE2 3.02Å; Q140-A276 HydrophobicContact CG-CB 3.84Å
141	R	92.5	Very high	88.3	Confident	60 Å²	60	50.6 Å²	50.6	23%	0.226	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-44	174.7	-179.2	175.4	-66.7	128	-5.7	111.6	C130 H131 T137 I143 C144 L145	C130-R141 WeakPolarHBondContact O-CG 3.42Å; C130-R141 PolarHBondContact O-NE 3.34Å; H131-R141 PolarHBondContact O-NH2 3.43Å; T137-R141 PolarHBondContact O-N 2.8Å; R141-I143 PolarHBondContact O-N 3.43Å; R141-C144 VanDerWaalsContact O-CB 3.29Å; R141-C144 WeakPolarHBondContact O-CB 3.45Å; R141-C144 PolarHBondContact O-N 3.42Å; R141-L145 HydrophobicContact CG-CD1 4Å; R141-L145 HydrophobicContact CG-CG 4.5Å; R141-L145 WeakPolarHBondContact O-CG 3.39Å; R141-L145 PolarHBondContact O-N 3.03Å
142	Y	93.1	Very high	88.5	Confident	149 Å²	149	47.8 Å²	47.8	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-58.9	-46.4	174.4	179.2	-92.1	0	0	0	112.1	N138 Q140 C144 L145 Q146	N138-Y142 WeakPolarHBondContact O-CB 3.36Å; N138-Y142 PolarHBondContact O-N 2.96Å; Q140-Y142 VanDerWaalsContact C-N 3.35Å; Q140-Y142 PolarHBondContact O-N 3.21Å; Y142-C144 VanDerWaalsContact C-N 3.31Å; Y142-C144 PolarHBondContact O-N 2.96Å; Y142-L145 PolarHBondContact O-N 3.46Å; Y142-Q146 VanDerWaalsContact O-CB 3.31Å; Y142-Q146 WeakPolarHBondContact O-CB 3.35Å; Y142-Q146 PolarHBondContact O-N 2.57Å
143	I	93.2	Very high	88.9	Confident	13 Å²	13	42.9 Å²	42.9	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-35.9	176.4	-63.7	160.5	0	0	0	111.5	R139 Q140 R141 Q146 H147 L150 L269 L272 F273	R139-I143 HydrophobicContact CG-CD1 4.19Å; R139-I143 WeakPolarHBondContact O-CD1 3.47Å; R139-I143 VanDerWaalsContact O-CG1 3.23Å; R139-I143 WeakPolarHBondContact O-CG1 3.29Å; R139-I143 PolarHBondContact O-N 2.92Å; R139-I143 VanDerWaalsContact O-N 3.11Å; Q140-I143 PolarHBondContact O-N 3.17Å; R141-I143 PolarHBondContact O-N 3.43Å; I143-Q146 PolarHBondContact O-N 3.06Å; I143-H147 PolarHBondContact O-CD2 3.42Å; I143-H147 PolarHBondContact O-N 3.1Å; I143-L150 HydrophobicContact CG2-CD2 3.86Å; I143-L269 HydrophobicContact CG2-CD1 3.62Å; I143-L272 HydrophobicContact CD1-CB 4.04Å; I143-L272 WeakPolarHBondContact CD1-O 3.17Å; I143-F273 HydrophobicContact CB-CD2 4.23Å; I143-F273 HydrophobicContact CG2-CD2 3.89Å
144	C	92.6	Very high	89.5	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.034	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-50.1	175.7	-162.7	0	0	0	0	111	C130 Q140 R141 Y142 F273	C130-C144 VanDerWaalsContact CA-SG 3.58Å; C130-C144 HydrophobicContact CB-CB 3.72Å; C130-C144 WeakPolarHBondContact CB-SG 3.35Å; C130-C144 WeakPolarHBondContact SG-CB 3.11Å; C130-C144 CovalentContact SG-SG 2.04Å; C130-C144 PolarHBondContact SG-SG 3.02Å; Q140-C144 WeakPolarHBondContact O-CB 3.43Å; Q140-C144 PolarHBondContact O-N 3.22Å; R141-C144 VanDerWaalsContact O-CB 3.29Å; R141-C144 WeakPolarHBondContact O-CB 3.45Å; R141-C144 PolarHBondContact O-N 3.42Å; Y142-C144 VanDerWaalsContact C-N 3.31Å; Y142-C144 PolarHBondContact O-N 2.96Å; C144-F273 HydrophobicContact CB-CE2 4.07Å
145	L	92.7	Very high	90.1	Very high	72 Å²	72	40.6 Å²	40.6	38%	0.377	20%	0.202	S	C	.	.	H	α-helix	trans	-72.1	-27.1	179.7	-64.5	169.8	0	0	0	113.3	I127 C130 R141 Y142 H147	I127-L145 HydrophobicContact CB-CD2 4.17Å; I127-L145 HydrophobicContact CG1-CD2 4.04Å; I127-L145 HydrophobicContact CG2-CD2 3.98Å; C130-L145 HydrophobicContact CB-CD2 3.65Å; C130-L145 HydrophobicContact CB-CG 4Å; R141-L145 HydrophobicContact CG-CD1 4Å; R141-L145 HydrophobicContact CG-CG 4.5Å; R141-L145 WeakPolarHBondContact O-CG 3.39Å; R141-L145 PolarHBondContact O-N 3.03Å; Y142-L145 PolarHBondContact O-N 3.46Å; L145-H147 VanDerWaalsContact C-N 3.33Å
146	Q	92.8	Very high	90.9	Very high	100 Å²	100	42.4 Å²	42.4	47%	0.467	20%	0.199	S	C	.	.	H	α-helix	trans	-73.3	-21.9	178.6	-176.7	173.6	11.6	0	0	113.4	Y142 I143	Y142-Q146 VanDerWaalsContact O-CB 3.31Å; Y142-Q146 WeakPolarHBondContact O-CB 3.35Å; Y142-Q146 PolarHBondContact O-N 2.57Å; I143-Q146 PolarHBondContact O-N 3.06Å
147	H	92.6	Very high	91.5	Very high	26 Å²	26	42 Å²	42	12%	0.12	20%	0.197	C	C	.	.	S	Bend	trans	-126.3	90.7	-169.8	-71.9	-80.5	0	0	0	112.4	I143 L145 G149 L150 T235	I143-H147 PolarHBondContact O-CD2 3.42Å; I143-H147 PolarHBondContact O-N 3.1Å; L145-H147 VanDerWaalsContact C-N 3.33Å; H147-G149 PolarHBondContact O-N 2.85Å; H147-L150 HydrophobicContact CB-CB 3.69Å; H147-L150 HydrophobicContact CB-CD2 3.86Å; H147-L150 HydrophobicContact CB-CG 4.39Å; H147-L150 WeakPolarHBondContact O-CB 3.33Å; H147-L150 PolarHBondContact O-N 2.93Å; H147-T235 WeakPolarHBondContact ND1-CB 3.17Å; H147-T235 PolarHBondContact ND1-OG1 3.46Å
148	T	92.6	Very high	91.7	Very high	71 Å²	71	41.2 Å²	41.2	44%	0.436	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	136.1	172.7	-16.9	0	0	0	0	111.5	E126 L150 M233	E126-T148 WeakPolarHBondContact OE2-CA 3.42Å; E126-T148 WeakPolarHBondContact OE2-CG2 3.33Å; T148-L150 PolarHBondContact O-N 2.81Å; T148-M233 WeakPolarHBondContact O-CA 3.23Å
149	G	91.6	Very high	91.7	Very high	5 Å²	5	37.6 Å²	37.6	5%	0.052	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-13.3	-173.5	0	0	0	0	0	115.3	E126 H147 I151 W152 A153	E126-G149 WeakPolarHBondContact OE1-CA 3.37Å; E126-G149 PolarHBondContact OE1-N 3.45Å; E126-G149 PolarHBondContact OE2-N 2.6Å; H147-G149 PolarHBondContact O-N 2.85Å; G149-I151 VanDerWaalsContact C-N 3.34Å; G149-I151 PolarHBondContact O-N 2.91Å; G149-W152 PolarHBondContact O-N 3.18Å; G149-A153 PolarHBondContact O-N 3.38Å; G149-A153 VanDerWaalsContact O-N 3.14Å
150	L	93.5	Very high	91.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-43.9	-176.1	174.8	58.5	0	0	0	111.7	I143 H147 T148 W152 A153 M154 I224 M233 L269 F273	I143-L150 HydrophobicContact CG2-CD2 3.86Å; H147-L150 HydrophobicContact CB-CB 3.69Å; H147-L150 HydrophobicContact CB-CD2 3.86Å; H147-L150 HydrophobicContact CB-CG 4.39Å; H147-L150 WeakPolarHBondContact O-CB 3.33Å; H147-L150 PolarHBondContact O-N 2.93Å; T148-L150 PolarHBondContact O-N 2.81Å; L150-W152 VanDerWaalsContact C-N 3.28Å; L150-W152 PolarHBondContact O-N 3.5Å; L150-A153 CarbonylContact O-C 3.58Å; L150-A153 PolarHBondContact O-N 2.86Å; L150-M154 HydrophobicContact CD1-CG 3.76Å; L150-M154 HydrophobicContact CD1-SD 4.1Å; L150-M154 HydrophobicContact CG-CG 3.97Å; L150-M154 VanDerWaalsContact O-CG 3.27Å; L150-M154 WeakPolarHBondContact O-CG 3.33Å; L150-M154 PolarHBondContact O-N 3.01Å; L150-I224 HydrophobicContact CD1-CD1 3.62Å; L150-I224 HydrophobicContact CD1-CG1 3.86Å; L150-M233 HydrophobicContact CB-CE 3.87Å; L150-M233 HydrophobicContact CD1-CE 4.16Å; L150-L269 HydrophobicContact CD1-CD2 3.76Å; L150-L269 HydrophobicContact CD1-CG 3.97Å; L150-L269 HydrophobicContact CD2-CD1 4.06Å; L150-L269 HydrophobicContact CD2-CD2 4.17Å; L150-L269 HydrophobicContact CD2-CG 4.17Å; L150-L269 HydrophobicContact CG-CD2 4.48Å; L150-F273 HydrophobicContact CD2-CD2 4.1Å; L150-F273 HydrophobicContact CD2-CE2 4.46Å
151	I	89.6	Confident	91.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-36.7	-175.7	-173.2	53.5	0	0	0	112	L35 E126 I129 L133 G149 M154 L155	L35-I151 HydrophobicContact CD1-CD1 3.99Å; E126-I151 HydrophobicContact CB-CG2 4.1Å; E126-I151 HydrophobicContact CG-CG2 3.82Å; I129-I151 HydrophobicContact CB-CG1 4.41Å; I129-I151 HydrophobicContact CG2-CD1 4.21Å; I129-I151 HydrophobicContact CG2-CG1 3.59Å; L133-I151 HydrophobicContact CD1-CD1 3.64Å; L133-I151 HydrophobicContact CD1-CG1 4.39Å; G149-I151 VanDerWaalsContact C-N 3.34Å; G149-I151 PolarHBondContact O-N 2.91Å; I151-M154 HydrophobicContact CD1-CB 4.45Å; I151-M154 PolarHBondContact O-N 3.2Å; I151-L155 HydrophobicContact CG1-CD1 4.2Å; I151-L155 WeakPolarHBondContact O-CB 3.39Å; I151-L155 WeakPolarHBondContact O-CD1 3.02Å; I151-L155 VanDerWaalsContact O-CG 3.28Å; I151-L155 WeakPolarHBondContact O-CG 3.49Å; I151-L155 PolarHBondContact O-N 2.72Å
152	W	91.1	Very high	91.8	Very high	44 Å²	44	31.7 Å²	31.7	17%	0.167	15%	0.152	C	C	.	.	H	α-helix	trans	-67.2	-37.3	172.7	-60.2	127.3	0	0	0	113	K42 L122 H125 E126 I129 G149 L150 L155 E156	K42-W152 HydrophobicContact CB-CZ3 4.35Å; K42-W152 HydrophobicContact CD-CD2 4.38Å; K42-W152 HydrophobicContact CD-CE3 3.51Å; K42-W152 HydrophobicContact CD-CH2 4.46Å; K42-W152 HydrophobicContact CD-CZ3 3.57Å; K42-W152 HydrophobicContact CG-CZ3 4.2Å; L122-W152 HydrophobicContact CD1-CZ2 4.27Å; H125-W152 AromaticContact CD2-CH2 3.74Å; H125-W152 AromaticContact CD2-CZ2 3.61Å; H125-W152 AromaticContact NE2-CH2 3.75Å; E126-W152 PolarHBondContact OE1-NE1 2.97Å; I129-W152 HydrophobicContact CD1-CH2 3.7Å; I129-W152 HydrophobicContact CD1-CZ2 4.06Å; I129-W152 HydrophobicContact CD1-CZ3 4.06Å; G149-W152 PolarHBondContact O-N 3.18Å; L150-W152 VanDerWaalsContact C-N 3.28Å; L150-W152 PolarHBondContact O-N 3.5Å; W152-L155 HydrophobicContact CD2-CD1 4.43Å; W152-L155 HydrophobicContact CE3-CD1 3.4Å; W152-L155 HydrophobicContact CZ3-CD1 3.73Å; W152-L155 WeakPolarHBondContact O-CB 3.27Å; W152-L155 PolarHBondContact O-N 3.47Å; W152-E156 PolarHBondContact O-N 3.36Å
153	A	94	Very high	91.7	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-69.3	-35.3	174.2	0	0	0	0	0	112.5	G149 L150 L155 G157 A223 I224 A227 M233	G149-A153 PolarHBondContact O-N 3.38Å; G149-A153 VanDerWaalsContact O-N 3.14Å; L150-A153 CarbonylContact O-C 3.58Å; L150-A153 PolarHBondContact O-N 2.86Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-G157 PolarHBondContact O-N 3.09Å; A153-A223 WeakPolarHBondContact O-CB 3.37Å; A153-I224 HydrophobicContact CB-CB 4.44Å; A153-I224 HydrophobicContact CB-CG1 3.84Å; A153-A227 HydrophobicContact CB-CB 3.93Å; A153-M233 HydrophobicContact CB-SD 3.91Å
154	M	91.5	Very high	91.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-39.1	171.2	-67.4	-69	-59.8	0	0	111.1	W31 L35 L150 I151 T158 V220 I224 F273 L274	W31-M154 HydrophobicContact CH2-CE 4.1Å; W31-M154 HydrophobicContact CZ3-CE 4.14Å; L35-M154 HydrophobicContact CD1-CB 4.1Å; L150-M154 HydrophobicContact CD1-CG 3.76Å; L150-M154 HydrophobicContact CD1-SD 4.1Å; L150-M154 HydrophobicContact CG-CG 3.97Å; L150-M154 VanDerWaalsContact O-CG 3.27Å; L150-M154 WeakPolarHBondContact O-CG 3.33Å; L150-M154 PolarHBondContact O-N 3.01Å; I151-M154 HydrophobicContact CD1-CB 4.45Å; I151-M154 PolarHBondContact O-N 3.2Å; M154-T158 VanDerWaalsContact O-CB 3.24Å; M154-T158 WeakPolarHBondContact O-CB 3.29Å; M154-T158 PolarHBondContact O-N 3.03Å; M154-T158 PolarHBondContact O-OG1 3.07Å; M154-V220 HydrophobicContact CE-CG1 4.06Å; M154-V220 HydrophobicContact CE-CG2 4.41Å; M154-V220 HydrophobicContact SD-CG1 3.4Å; M154-V220 WeakPolarHBondContact SD-CG1 3.48Å; M154-I224 HydrophobicContact SD-CD1 4.07Å; M154-F273 HydrophobicContact CE-CB 4.32Å; M154-F273 HydrophobicContact CE-CD1 3.38Å; M154-F273 HydrophobicContact CE-CE1 3.76Å; M154-F273 HydrophobicContact CE-CG 3.84Å; M154-F273 HydrophobicContact CE-CZ 4.48Å; M154-F273 HydrophobicContact SD-CB 4.42Å; M154-F273 HydrophobicContact SD-CD1 4.34Å; M154-F273 HydrophobicContact SD-CG 4.21Å; M154-L274 HydrophobicContact CE-CD2 3.73Å; M154-L274 HydrophobicContact CE-CG 4.42Å
155	L	88	Confident	91.9	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-55	174.2	-78.8	159.1	0	0	0	112.3	L35 L38 I151 W152 A153 G157 T158 H159	L35-L155 HydrophobicContact CB-CD2 4.49Å; L35-L155 HydrophobicContact CD2-CD2 3.81Å; L35-L155 HydrophobicContact CD2-CG 4.23Å; L35-L155 HydrophobicContact CG-CD2 3.65Å; L35-L155 HydrophobicContact CG-CG 3.97Å; L35-L155 WeakPolarHBondContact O-CD2 3.11Å; L38-L155 HydrophobicContact CB-CD2 4.07Å; I151-L155 HydrophobicContact CG1-CD1 4.2Å; I151-L155 WeakPolarHBondContact O-CB 3.39Å; I151-L155 WeakPolarHBondContact O-CD1 3.02Å; I151-L155 VanDerWaalsContact O-CG 3.28Å; I151-L155 WeakPolarHBondContact O-CG 3.49Å; I151-L155 PolarHBondContact O-N 2.72Å; W152-L155 HydrophobicContact CD2-CD1 4.43Å; W152-L155 HydrophobicContact CE3-CD1 3.4Å; W152-L155 HydrophobicContact CZ3-CD1 3.73Å; W152-L155 WeakPolarHBondContact O-CB 3.27Å; W152-L155 PolarHBondContact O-N 3.47Å; A153-L155 VanDerWaalsContact C-N 3.34Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-G157 PolarHBondContact O-N 3.23Å; L155-T158 PolarHBondContact O-N 3.24Å; L155-H159 PolarHBondContact O-N 3.34Å
156	E	90.9	Very high	91.9	Very high	78 Å²	78	26.4 Å²	26.4	36%	0.364	13%	0.131	S	C	.	.	H	α-helix	trans	-57.8	-44.2	176.7	-178.4	175.8	157.7	0	0	110.8	W152 H159 L160 A223 R230	W152-E156 PolarHBondContact O-N 3.36Å; E156-H159 PolarHBondContact O-N 2.89Å; E156-L160 VanDerWaalsContact O-CB 3.24Å; E156-L160 WeakPolarHBondContact O-CB 3.48Å; E156-L160 PolarHBondContact O-N 3.2Å; E156-A223 HydrophobicContact CB-CB 4.08Å; E156-A223 HydrophobicContact CG-CB 4.14Å; E156-R230 IonicContact OE1-CZ 3.62Å; E156-R230 IonicContact OE1-NH1 3.52Å; E156-R230 PolarHBondContact OE1-NH1 3.36Å; E156-R230 IonicContact OE1-NH2 2.81Å; E156-R230 PolarHBondContact OE1-NH2 3.41Å; E156-R230 IonicContact OE2-NH1 3.3Å; E156-R230 PolarHBondContact OE2-NH1 3.03Å
157	G	93.5	Very high	92	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.4	-32.2	-178.2	0	0	0	0	0	114.9	A153 L155 G161 G219 V220	A153-G157 PolarHBondContact O-N 3.09Å; L155-G157 VanDerWaalsContact C-N 3.31Å; L155-G157 PolarHBondContact O-N 3.23Å; G157-G161 PolarHBondContact O-N 3.15Å; G157-G161 VanDerWaalsContact O-N 3.07Å; G157-G219 VanDerWaalsContact CA-C 3.45Å; G157-G219 VanDerWaalsContact CA-O 3.23Å; G157-G219 WeakPolarHBondContact CA-O 3.46Å; G157-G219 CarbonylContact O-C 3.55Å; G157-G219 VanDerWaalsContact O-C 3.26Å; G157-G219 WeakPolarHBondContact O-CA 3.42Å; G157-V220 PolarHBondContact O-N 3.06Å
158	T	90.5	Very high	92.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-47.9	171.6	-57.6	0	0	0	0	109.9	V32 L35 L36 M154 L155 L160 G161 M162 W216	V32-T158 HydrophobicContact CG1-CG2 4.44Å; L35-T158 HydrophobicContact CD2-CG2 3.85Å; L35-T158 WeakPolarHBondContact CD2-OG1 3.37Å; L36-T158 HydrophobicContact CD2-CG2 3.94Å; L36-T158 HydrophobicContact CG-CG2 4.07Å; M154-T158 VanDerWaalsContact O-CB 3.24Å; M154-T158 WeakPolarHBondContact O-CB 3.29Å; M154-T158 PolarHBondContact O-N 3.03Å; M154-T158 PolarHBondContact O-OG1 3.07Å; L155-T158 PolarHBondContact O-N 3.24Å; T158-L160 VanDerWaalsContact C-N 3.27Å; T158-L160 PolarHBondContact O-N 3.2Å; T158-G161 PolarHBondContact O-N 3.19Å; T158-M162 HydrophobicContact CG2-CE 4.28Å; T158-M162 HydrophobicContact CG2-CG 4.03Å; T158-M162 VanDerWaalsContact O-CB 3.29Å; T158-M162 WeakPolarHBondContact O-CB 2.93Å; T158-M162 WeakPolarHBondContact O-CG 2.88Å; T158-M162 PolarHBondContact O-N 3.29Å; T158-W216 PolarHBondContact OG1-NE1 3.46Å
159	H	88.8	Confident	92.2	Very high	51 Å²	51	22.9 Å²	22.9	24%	0.236	11%	0.11	C	C	.	.	H	α-helix	trans	-55.8	-43.5	174.3	-177.4	-80.7	0	0	0	112.1	K43 L155 E156 M162 H163 Y183	K43-H159 PolarHBondContact NZ-NE2 3.27Å; L155-H159 PolarHBondContact O-N 3.34Å; E156-H159 PolarHBondContact O-N 2.89Å; H159-M162 PolarHBondContact O-N 3.37Å; H159-H163 WeakPolarHBondContact O-CB 3.32Å; H159-H163 PolarHBondContact O-N 2.98Å; H159-Y183 WeakPolarHBondContact CA-OH 3.43Å; H159-Y183 AromaticContact CD2-CE1 3.69Å; H159-Y183 AromaticContact CD2-CZ 3.87Å
160	L	92.8	Very high	92.2	Very high	42 Å²	42	28.5 Å²	28.5	22%	0.22	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-49.2	178.7	-175.9	61	0	0	0	112.7	E156 T158 E164 Q222 F419	E156-L160 VanDerWaalsContact O-CB 3.24Å; E156-L160 WeakPolarHBondContact O-CB 3.48Å; E156-L160 PolarHBondContact O-N 3.2Å; T158-L160 VanDerWaalsContact C-N 3.27Å; T158-L160 PolarHBondContact O-N 3.2Å; L160-E164 WeakPolarHBondContact O-CB 3.38Å; L160-E164 PolarHBondContact O-N 3.08Å; L160-Q222 HydrophobicContact CD2-CB 4.08Å; L160-Q222 HydrophobicContact CD2-CG 3.8Å; L160-F419 HydrophobicContact CD1-CB 3.79Å; L160-F419 HydrophobicContact CD1-CD1 3.66Å; L160-F419 HydrophobicContact CD1-CE1 4.45Å; L160-F419 HydrophobicContact CD1-CG 3.8Å; L160-F419 HydrophobicContact CD2-CB 4.09Å; L160-F419 HydrophobicContact CD2-CD1 4.25Å; L160-F419 HydrophobicContact CD2-CD2 3.92Å; L160-F419 HydrophobicContact CD2-CE2 4.45Å; L160-F419 HydrophobicContact CD2-CG 3.81Å; L160-F419 HydrophobicContact CG-CB 4.09Å; L160-F419 HydrophobicContact CG-CD1 3.53Å; L160-F419 HydrophobicContact CG-CD2 4.1Å; L160-F419 HydrophobicContact CG-CE1 3.92Å; L160-F419 HydrophobicContact CG-CE2 4.46Å; L160-F419 HydrophobicContact CG-CG 3.62Å; L160-F419 HydrophobicContact CG-CZ 4.37Å; L160-F419 WeakPolarHBondContact O-CE1 3.3Å
161	G	93.3	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-35.4	178.4	0	0	0	0	0	114	G157 T158 C165 S215	G157-G161 PolarHBondContact O-N 3.15Å; G157-G161 VanDerWaalsContact O-N 3.07Å; T158-G161 PolarHBondContact O-N 3.19Å; G161-C165 PolarHBondContact O-N 3.49Å; G161-S215 PolarHBondContact O-OG 2.88Å
162	M	90.2	Very high	92.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-78.5	-42.5	-178.8	-67.9	-55.5	178.9	0	0	112.5	V32 L36 T158 H159 E164 C165 V166 V179 Y183 L198 L212 W216	V32-M162 HydrophobicContact CG1-CE 4.41Å; L36-M162 HydrophobicContact CD2-CG 4.27Å; T158-M162 HydrophobicContact CG2-CE 4.28Å; T158-M162 HydrophobicContact CG2-CG 4.03Å; T158-M162 VanDerWaalsContact O-CB 3.29Å; T158-M162 WeakPolarHBondContact O-CB 2.93Å; T158-M162 WeakPolarHBondContact O-CG 2.88Å; T158-M162 PolarHBondContact O-N 3.29Å; H159-M162 PolarHBondContact O-N 3.37Å; M162-E164 VanDerWaalsContact C-N 3.32Å; M162-E164 PolarHBondContact O-N 3.08Å; M162-C165 VanDerWaalsContact O-CB 3.28Å; M162-C165 WeakPolarHBondContact O-CB 3.49Å; M162-C165 PolarHBondContact O-N 2.88Å; M162-C165 VanDerWaalsContact O-N 3.16Å; M162-V166 PolarHBondContact O-N 2.93Å; M162-V179 HydrophobicContact CB-CG1 3.74Å; M162-V179 HydrophobicContact CG-CG1 4.43Å; M162-V179 HydrophobicContact SD-CG2 3.66Å; M162-Y183 HydrophobicContact CB-CE2 4.18Å; M162-Y183 WeakPolarHBondContact CB-OH 3.45Å; M162-L198 HydrophobicContact CE-CD2 4.46Å; M162-L212 HydrophobicContact CE-CD1 4.1Å; M162-L212 HydrophobicContact SD-CD1 3.51Å; M162-L212 VanDerWaalsContact SD-CD1 3.51Å; M162-W216 HydrophobicContact CE-CB 4.15Å; M162-W216 HydrophobicContact CE-CD2 4.37Å; M162-W216 HydrophobicContact CE-CG 4.03Å
163	H	91.3	Very high	92.3	Very high	94 Å²	94	33.9 Å²	33.9	44%	0.435	16%	0.16	S	C	.	.	H	α-helix	trans	-60.6	-41	173.4	176	-87	0	0	0	111.8	H159 C165 V166 H167	H159-H163 WeakPolarHBondContact O-CB 3.32Å; H159-H163 PolarHBondContact O-N 2.98Å; H163-C165 VanDerWaalsContact C-N 3.3Å; H163-C165 PolarHBondContact O-N 3.3Å; H163-V166 PolarHBondContact O-N 3.42Å; H163-H167 WeakPolarHBondContact O-CB 3.4Å; H163-H167 PolarHBondContact O-N 3.5Å
164	E	94.8	Very high	92.2	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-69.7	-27.1	177.2	-165.4	59.8	-159.1	0	0	112.5	L160 M162 H167 Q168 F419 R420	L160-E164 WeakPolarHBondContact O-CB 3.38Å; L160-E164 PolarHBondContact O-N 3.08Å; M162-E164 VanDerWaalsContact C-N 3.32Å; M162-E164 PolarHBondContact O-N 3.08Å; E164-H167 PolarHBondContact O-N 3.26Å; E164-H167 IonicContact OE1-CD2 3.19Å; E164-H167 IonicContact OE2-CD2 3.82Å; E164-Q168 HydrophobicContact CG-CG 4.21Å; E164-Q168 WeakPolarHBondContact O-CB 3.43Å; E164-Q168 VanDerWaalsContact O-CG 3.24Å; E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 3.11Å; E164-Q168 PolarHBondContact OE1-NE2 2.96Å; E164-F419 HydrophobicContact CB-CD1 3.81Å; E164-F419 HydrophobicContact CB-CE1 3.58Å; E164-F419 HydrophobicContact CG-CD1 3.95Å; E164-F419 HydrophobicContact CG-CE1 3.93Å; E164-R420 VanDerWaalsContact CD-NE 3.29Å; E164-R420 VanDerWaalsContact OE1-CD 3.3Å; E164-R420 WeakPolarHBondContact OE1-CD 3.48Å; E164-R420 IonicContact OE1-CZ 2.85Å; E164-R420 IonicContact OE1-NE 2.99Å; E164-R420 PolarHBondContact OE1-NE 2.88Å; E164-R420 IonicContact OE1-NH2 3.69Å; E164-R420 IonicContact OE2-CZ 3.71Å; E164-R420 IonicContact OE2-NE 3.42Å; E164-R420 PolarHBondContact OE2-NE 3.15Å; E164-R420 IonicContact OE2-NH2 3.69Å; E164-R420 PolarHBondContact OE2-NH2 2.91Å
165	C	94.5	Very high	92.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-52	168.9	-173.9	0	0	0	0	111.5	G161 M162 H163 H167 Q168 F169 W174 C176 F211	G161-C165 PolarHBondContact O-N 3.49Å; M162-C165 VanDerWaalsContact O-CB 3.28Å; M162-C165 WeakPolarHBondContact O-CB 3.49Å; M162-C165 PolarHBondContact O-N 2.88Å; M162-C165 VanDerWaalsContact O-N 3.16Å; H163-C165 VanDerWaalsContact C-N 3.3Å; H163-C165 PolarHBondContact O-N 3.3Å; C165-H167 PolarHBondContact O-N 3.01Å; C165-Q168 PolarHBondContact O-N 3.31Å; C165-F169 WeakPolarHBondContact O-CB 3.2Å; C165-F169 WeakPolarHBondContact O-CD2 3.15Å; C165-F169 PolarHBondContact O-N 3.02Å; C165-F169 VanDerWaalsContact O-N 3.09Å; C165-W174 VanDerWaalsContact SG-CH2 3.5Å; C165-C176 HydrophobicContact CB-CB 4.03Å; C165-C176 WeakPolarHBondContact CB-SG 3.05Å; C165-C176 WeakPolarHBondContact SG-CB 3.41Å; C165-C176 CovalentContact SG-SG 2.05Å; C165-C176 PolarHBondContact SG-SG 3.48Å; C165-F211 HydrophobicContact CB-CD1 4.49Å; C165-F211 HydrophobicContact CB-CE1 3.88Å
166	V	92.9	Very high	92.2	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-38	176.1	175	0	0	0	0	111.3	M162 H163 K170 C176 V179 N180	M162-V166 PolarHBondContact O-N 2.93Å; H163-V166 PolarHBondContact O-N 3.42Å; V166-K170 WeakPolarHBondContact O-CA 3.49Å; V166-K170 WeakPolarHBondContact O-CB 3.12Å; V166-K170 PolarHBondContact O-N 3.4Å; V166-C176 HydrophobicContact CG2-CB 4.05Å; V166-V179 HydrophobicContact CG2-CB 4.23Å; V166-V179 HydrophobicContact CG2-CG1 3.82Å; V166-N180 WeakPolarHBondContact CG1-ND2 3.28Å; V166-N180 WeakPolarHBondContact CG1-OD1 3.35Å; V166-N180 WeakPolarHBondContact CG2-OD1 3.38Å
167	H	94.3	Very high	91.8	Very high	84 Å²	84	31.9 Å²	31.9	39%	0.389	15%	0.151	S	C	.	.	H	α-helix	trans	-65.9	-53.5	177.6	-175.9	70.9	0	0	0	112.9	H163 E164 C165 F169 R420	H163-H167 WeakPolarHBondContact O-CB 3.4Å; H163-H167 PolarHBondContact O-N 3.5Å; E164-H167 PolarHBondContact O-N 3.26Å; E164-H167 IonicContact OE1-CD2 3.19Å; E164-H167 IonicContact OE2-CD2 3.82Å; C165-H167 PolarHBondContact O-N 3.01Å; H167-F169 VanDerWaalsContact C-N 3.25Å; H167-F169 PolarHBondContact O-N 3.2Å; H167-R420 PolarHBondContact CD2-NE 2.63Å; H167-R420 PolarHBondContact CD2-NH2 2.77Å; H167-R420 PolarHBondContact NE2-NE 3.31Å; H167-R420 PolarHBondContact NE2-NH1 3.17Å
168	Q	95.5	Very high	91	Very high	37 Å²	37	32 Å²	32	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-26.5	-177.1	-67.4	-68.1	-33	0	0	112.9	E164 C165 F211	E164-Q168 HydrophobicContact CG-CG 4.21Å; E164-Q168 WeakPolarHBondContact O-CB 3.43Å; E164-Q168 VanDerWaalsContact O-CG 3.24Å; E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 3.11Å; E164-Q168 PolarHBondContact OE1-NE2 2.96Å; C165-Q168 PolarHBondContact O-N 3.31Å; Q168-F211 HydrophobicContact CB-CZ 4.25Å; Q168-F211 HydrophobicContact CG-CZ 4.24Å
169	F	94.6	Very high	90.2	Very high	1 Å²	1	32 Å²	32	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-108.3	2.1	-175.9	-73.9	-91.2	0	0	0	114.9	C165 H167 H171 E172 W174 N175 F211 K427 Y430	C165-F169 WeakPolarHBondContact O-CB 3.2Å; C165-F169 WeakPolarHBondContact O-CD2 3.15Å; C165-F169 PolarHBondContact O-N 3.02Å; C165-F169 VanDerWaalsContact O-N 3.09Å; H167-F169 VanDerWaalsContact C-N 3.25Å; H167-F169 PolarHBondContact O-N 3.2Å; F169-H171 PolarHBondContact O-N 2.89Å; F169-E172 HydrophobicContact CB-CB 4.49Å; F169-E172 HydrophobicContact CD1-CB 3.95Å; F169-E172 HydrophobicContact CD1-CG 3.83Å; F169-E172 HydrophobicContact CE1-CG 4.46Å; F169-E172 PolarHBondContact O-N 3.22Å; F169-W174 HydrophobicContact CB-CE3 4.31Å; F169-W174 HydrophobicContact CB-CZ3 4.42Å; F169-W174 AromaticContact CD1-CE3 3.52Å; F169-W174 HydrophobicContact CD1-CE3 3.52Å; F169-W174 AromaticContact CD1-CZ3 3.76Å; F169-W174 HydrophobicContact CD1-CZ3 3.76Å; F169-W174 HydrophobicContact CD2-CE3 4.43Å; F169-W174 AromaticContact CD2-CZ3 3.88Å; F169-W174 HydrophobicContact CD2-CZ3 3.88Å; F169-W174 AromaticContact CE1-CE3 3.87Å; F169-W174 HydrophobicContact CE1-CE3 3.87Å; F169-W174 AromaticContact CE1-CZ3 3.91Å; F169-W174 HydrophobicContact CE1-CZ3 3.91Å; F169-W174 HydrophobicContact CE2-CZ3 4.03Å; F169-W174 AromaticContact CG-CE3 3.83Å; F169-W174 HydrophobicContact CG-CE3 3.83Å; F169-W174 AromaticContact CG-CZ3 3.74Å; F169-W174 HydrophobicContact CG-CZ3 3.74Å; F169-W174 HydrophobicContact CZ-CE3 4.47Å; F169-W174 HydrophobicContact CZ-CZ3 4.05Å; F169-N175 VanDerWaalsContact O-CA 3.3Å; F169-N175 WeakPolarHBondContact O-CA 3.46Å; F169-N175 WeakPolarHBondContact O-CB 3.42Å; F169-F211 HydrophobicContact CD2-CD1 4.35Å; F169-F211 HydrophobicContact CD2-CE1 4.25Å; F169-F211 HydrophobicContact CD2-CZ 4.46Å; F169-F211 HydrophobicContact CE2-CB 4.42Å; F169-F211 AromaticContact CE2-CD1 3.64Å; F169-F211 HydrophobicContact CE2-CD1 3.64Å; F169-F211 AromaticContact CE2-CD2 3.75Å; F169-F211 HydrophobicContact CE2-CD2 3.75Å; F169-F211 AromaticContact CE2-CE1 3.8Å; F169-F211 HydrophobicContact CE2-CE1 3.8Å; F169-F211 AromaticContact CE2-CE2 3.84Å; F169-F211 HydrophobicContact CE2-CE2 3.84Å; F169-F211 AromaticContact CE2-CG 3.64Å; F169-F211 HydrophobicContact CE2-CG 3.64Å; F169-F211 AromaticContact CE2-CZ 3.89Å; F169-F211 HydrophobicContact CE2-CZ 3.89Å; F169-F211 HydrophobicContact CZ-CB 4.45Å; F169-F211 HydrophobicContact CZ-CD1 4.45Å; F169-F211 HydrophobicContact CZ-CD2 4.18Å; F169-F211 HydrophobicContact CZ-CG 4.09Å; F169-K427 HydrophobicContact CE1-CD 4.29Å; F169-K427 HydrophobicContact CE2-CD 4.01Å; F169-K427 HydrophobicContact CZ-CD 3.76Å; F169-Y430 HydrophobicContact CE1-CD1 4.15Å; F169-Y430 AromaticContact CE1-CE1 3.61Å; F169-Y430 HydrophobicContact CE1-CE1 3.61Å; F169-Y430 HydrophobicContact CE1-CE2 4.04Å; F169-Y430 AromaticContact CE1-CZ 3.55Å; F169-Y430 AromaticContact CZ-CD1 3.76Å; F169-Y430 HydrophobicContact CZ-CD1 3.76Å; F169-Y430 AromaticContact CZ-CD2 3.99Å; F169-Y430 HydrophobicContact CZ-CD2 3.99Å; F169-Y430 AromaticContact CZ-CE1 3.71Å; F169-Y430 HydrophobicContact CZ-CE1 3.71Å; F169-Y430 AromaticContact CZ-CE2 3.92Å; F169-Y430 HydrophobicContact CZ-CE2 3.92Å; F169-Y430 AromaticContact CZ-CG 3.92Å; F169-Y430 HydrophobicContact CZ-CG 3.92Å; F169-Y430 AromaticContact CZ-CZ 3.8Å
170	K	91.9	Very high	89.3	Confident	123 Å²	123	32.5 Å²	32.5	54%	0.535	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-35.9	-178.7	-177.9	-176.5	171.4	-160.8	0	114.6	V166 R549	V166-K170 WeakPolarHBondContact O-CA 3.49Å; V166-K170 WeakPolarHBondContact O-CB 3.12Å; V166-K170 PolarHBondContact O-N 3.4Å; K170-R549 PolarHBondContact O-NH2 3.44Å
171	H	90.7	Very high	88	Confident	72 Å²	72	31.8 Å²	31.8	33%	0.333	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	5	-172.5	-70	-63.2	0	0	0	114.8	F169 I559 N560	F169-H171 PolarHBondContact O-N 2.89Å; H171-I559 HydrophobicContact CB-CG2 4.29Å; H171-N560 HydrophobicContact CB-CB 4.03Å
172	E	91.9	Very high	86.6	Confident	28 Å²	28	32.1 Å²	32.1	13%	0.131	15%	0.154	C	C	.	.	S	Bend	trans	-95	158	176.9	-66.5	-90.5	-158	0	0	110.4	F169 W174 K427 R549 I559	F169-E172 HydrophobicContact CB-CB 4.49Å; F169-E172 HydrophobicContact CD1-CB 3.95Å; F169-E172 HydrophobicContact CD1-CG 3.83Å; F169-E172 HydrophobicContact CE1-CG 4.46Å; F169-E172 PolarHBondContact O-N 3.22Å; E172-W174 VanDerWaalsContact C-N 3.34Å; E172-W174 WeakPolarHBondContact CB-O 3.27Å; E172-W174 CarbonylContact O-C 3.58Å; E172-W174 PolarHBondContact O-N 3.35Å; E172-K427 VanDerWaalsContact OE1-CE 3.31Å; E172-K427 WeakPolarHBondContact OE1-CE 3.41Å; E172-K427 IonicContact OE1-NZ 2.69Å; E172-K427 PolarHBondContact OE1-NZ 2.97Å; E172-R549 VanDerWaalsContact O-CZ 3.23Å; E172-R549 PolarHBondContact O-NH1 2.95Å; E172-R549 PolarHBondContact O-NH2 3.19Å; E172-I559 VanDerWaalsContact CD-CD1 3.44Å; E172-I559 WeakPolarHBondContact OE1-CD1 3.43Å; E172-I559 WeakPolarHBondContact OE2-CD1 3.43Å; E172-I559 WeakPolarHBondContact OE2-CG1 3.3Å
173	Q	92	Very high	85.2	Confident	60 Å²	60	34.2 Å²	34.2	28%	0.28	16%	0.162	S	C	.	.	S	Bend	trans	-56.8	-45.2	178.6	-70.8	175.1	-14.8	0	0	111.8	H543 R549 R564 L565 C567	Q173-H543 PolarHBondContact O-NE2 2.8Å; Q173-R549 PolarHBondContact O-NH1 2.92Å; Q173-R564 PolarHBondContact NE2-O 2.92Å; Q173-L565 HydrophobicContact CG-CD1 4.4Å; Q173-C567 PolarHBondContact NE2-SG 2.99Å
174	W	91.9	Very high	83.6	Confident	7 Å²	7	40 Å²	40	3%	0.027	18%	0.18	C	C	.	.	S	Bend	trans	-85.4	116.4	160.8	-179.5	78	0	0	0	110	C165 F169 E172 C176 E208 Y534 H543	C165-W174 VanDerWaalsContact SG-CH2 3.5Å; F169-W174 HydrophobicContact CB-CE3 4.31Å; F169-W174 HydrophobicContact CB-CZ3 4.42Å; F169-W174 AromaticContact CD1-CE3 3.52Å; F169-W174 HydrophobicContact CD1-CE3 3.52Å; F169-W174 AromaticContact CD1-CZ3 3.76Å; F169-W174 HydrophobicContact CD1-CZ3 3.76Å; F169-W174 HydrophobicContact CD2-CE3 4.43Å; F169-W174 AromaticContact CD2-CZ3 3.88Å; F169-W174 HydrophobicContact CD2-CZ3 3.88Å; F169-W174 AromaticContact CE1-CE3 3.87Å; F169-W174 HydrophobicContact CE1-CE3 3.87Å; F169-W174 AromaticContact CE1-CZ3 3.91Å; F169-W174 HydrophobicContact CE1-CZ3 3.91Å; F169-W174 HydrophobicContact CE2-CZ3 4.03Å; F169-W174 AromaticContact CG-CE3 3.83Å; F169-W174 HydrophobicContact CG-CE3 3.83Å; F169-W174 AromaticContact CG-CZ3 3.74Å; F169-W174 HydrophobicContact CG-CZ3 3.74Å; F169-W174 HydrophobicContact CZ-CE3 4.47Å; F169-W174 HydrophobicContact CZ-CZ3 4.05Å; E172-W174 VanDerWaalsContact C-N 3.34Å; E172-W174 WeakPolarHBondContact CB-O 3.27Å; E172-W174 CarbonylContact O-C 3.58Å; E172-W174 PolarHBondContact O-N 3.35Å; W174-C176 HydrophobicContact CH2-CB 4.08Å; W174-C176 HydrophobicContact CZ2-CB 4.16Å; W174-C176 HydrophobicContact CZ3-CB 4.41Å; W174-E208 HydrophobicContact CD2-CB 3.93Å; W174-E208 HydrophobicContact CD2-CG 3.81Å; W174-E208 HydrophobicContact CE3-CB 3.84Å; W174-E208 HydrophobicContact CE3-CG 3.7Å; W174-E208 HydrophobicContact CG-CG 4.22Å; W174-E208 HydrophobicContact CH2-CB 3.83Å; W174-E208 HydrophobicContact CZ2-CB 3.93Å; W174-E208 HydrophobicContact CZ3-CB 3.79Å; W174-E208 HydrophobicContact CZ3-CG 4.13Å; W174-Y534 HydrophobicContact CB-CD1 3.78Å; W174-Y534 HydrophobicContact CB-CD2 3.69Å; W174-Y534 HydrophobicContact CB-CE1 3.84Å; W174-Y534 HydrophobicContact CB-CE2 3.74Å; W174-Y534 HydrophobicContact CB-CG 3.7Å; W174-Y534 AromaticContact CD1-CD1 3.86Å; W174-Y534 AromaticContact CD1-CE1 3.37Å; W174-Y534 AromaticContact CD1-CZ 3.79Å; W174-Y534 HydrophobicContact CG-CD1 4.18Å; W174-Y534 AromaticContact CG-CE1 3.83Å; W174-Y534 HydrophobicContact CG-CE1 3.83Å; W174-Y534 HydrophobicContact CG-CE2 4.27Å; W174-Y534 AromaticContact CG-CZ 3.87Å; W174-H543 AromaticContact CD1-CE1 3.99Å
175	N	91.1	Very high	81.4	Confident	33 Å²	33	42 Å²	42	18%	0.176	19%	0.193	C	C	.	.			trans	-108	26.7	-177.1	67.3	-7	0	0	0	114.2	F169 S177	F169-N175 VanDerWaalsContact O-CA 3.3Å; F169-N175 WeakPolarHBondContact O-CA 3.46Å; F169-N175 WeakPolarHBondContact O-CB 3.42Å; N175-S177 PolarHBondContact O-N 2.98Å; N175-S177 WeakPolarHBondContact OD1-CA 3.07Å; N175-S177 VanDerWaalsContact OD1-CB 3.28Å; N175-S177 WeakPolarHBondContact OD1-CB 3.38Å; N175-S177 PolarHBondContact OD1-N 2.93Å
176	C	89.9	Confident	79.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	23%	0.229	C	C	.	.			trans	57.8	34.9	-170.2	-144.9	0	0	0	0	112.6	C165 V166 W174 A178 V179 N180	C165-C176 HydrophobicContact CB-CB 4.03Å; C165-C176 WeakPolarHBondContact CB-SG 3.05Å; C165-C176 WeakPolarHBondContact SG-CB 3.41Å; C165-C176 CovalentContact SG-SG 2.05Å; C165-C176 PolarHBondContact SG-SG 3.48Å; V166-C176 HydrophobicContact CG2-CB 4.05Å; W174-C176 HydrophobicContact CH2-CB 4.08Å; W174-C176 HydrophobicContact CZ2-CB 4.16Å; W174-C176 HydrophobicContact CZ3-CB 4.41Å; C176-A178 VanDerWaalsContact C-N 3.31Å; C176-A178 PolarHBondContact O-N 3.1Å; C176-V179 WeakPolarHBondContact O-CB 3.41Å; C176-V179 PolarHBondContact O-N 3.42Å; C176-V179 VanDerWaalsContact SG-CG2 3.59Å; C176-N180 PolarHBondContact O-N 3.23Å
177	S	81.2	Confident	76.9	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-51.2	-41.3	-175.6	53.6	0	0	0	0	114.7	N175 V179 N180 L181 G542 H543	N175-S177 PolarHBondContact O-N 2.98Å; N175-S177 WeakPolarHBondContact OD1-CA 3.07Å; N175-S177 VanDerWaalsContact OD1-CB 3.28Å; N175-S177 WeakPolarHBondContact OD1-CB 3.38Å; N175-S177 PolarHBondContact OD1-N 2.93Å; S177-V179 PolarHBondContact O-N 2.95Å; S177-N180 PolarHBondContact O-N 2.9Å; S177-L181 PolarHBondContact O-N 2.65Å; S177-G542 PolarHBondContact OG-O 3.01Å; S177-H543 WeakPolarHBondContact CB-CE1 3.42Å; S177-H543 WeakPolarHBondContact OG-CA 3.46Å; S177-H543 PolarHBondContact OG-CE1 3.03Å; S177-H543 PolarHBondContact OG-ND1 3.4Å
178	A	76.7	Confident	74.3	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-28	179.9	0	0	0	0	0	112.9	C176 L198 I201 G542	C176-A178 VanDerWaalsContact C-N 3.31Å; C176-A178 PolarHBondContact O-N 3.1Å; A178-L198 HydrophobicContact CB-CB 4.29Å; A178-L198 HydrophobicContact CB-CD1 3.99Å; A178-I201 HydrophobicContact CB-CG2 4.41Å; A178-G542 PolarHBondContact N-O 3.49Å
179	V	73.8	Confident	71.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-76.9	-42.3	173.4	167.7	0	0	0	0	111.1	M162 V166 C176 S177 L181 L182 Y183 L198 L212	M162-V179 HydrophobicContact CB-CG1 3.74Å; M162-V179 HydrophobicContact CG-CG1 4.43Å; M162-V179 HydrophobicContact SD-CG2 3.66Å; V166-V179 HydrophobicContact CG2-CB 4.23Å; V166-V179 HydrophobicContact CG2-CG1 3.82Å; C176-V179 WeakPolarHBondContact O-CB 3.41Å; C176-V179 PolarHBondContact O-N 3.42Å; C176-V179 VanDerWaalsContact SG-CG2 3.59Å; S177-V179 PolarHBondContact O-N 2.95Å; V179-L181 VanDerWaalsContact C-N 3.3Å; V179-L181 PolarHBondContact O-N 3.32Å; V179-L182 PolarHBondContact O-N 3.39Å; V179-Y183 HydrophobicContact CG1-CD2 3.69Å; V179-Y183 HydrophobicContact CG1-CE2 3.34Å; V179-Y183 VanDerWaalsContact O-CD2 3.31Å; V179-Y183 WeakPolarHBondContact O-CD2 3.31Å; V179-Y183 PolarHBondContact O-N 3.02Å; V179-L198 HydrophobicContact CG2-CD1 3.62Å; V179-L212 HydrophobicContact CG2-CD1 4.18Å
180	N	70.1	Confident	68.6	Low	60 Å²	60	69.7 Å²	69.7	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-30.7	177.8	-77.5	-39.8	0	0	0	113.6	V166 C176 S177 Y183 R184	V166-N180 WeakPolarHBondContact CG1-ND2 3.28Å; V166-N180 WeakPolarHBondContact CG1-OD1 3.35Å; V166-N180 WeakPolarHBondContact CG2-OD1 3.38Å; C176-N180 PolarHBondContact O-N 3.23Å; S177-N180 PolarHBondContact O-N 2.9Å; N180-Y183 PolarHBondContact O-N 3.08Å; N180-R184 PolarHBondContact O-N 3.28Å; N180-R184 VanDerWaalsContact O-N 3.15Å
181	L	65.8	Low	66.1	Low	28 Å²	28	67.3 Å²	67.3	15%	0.147	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-47.9	174.7	-76.8	173.3	0	0	0	111.5	S177 V179 Y183 R184 T185 L194 L544	S177-L181 PolarHBondContact O-N 2.65Å; V179-L181 VanDerWaalsContact C-N 3.3Å; V179-L181 PolarHBondContact O-N 3.32Å; L181-Y183 VanDerWaalsContact C-N 3.28Å; L181-Y183 PolarHBondContact O-N 2.9Å; L181-R184 PolarHBondContact O-N 3.15Å; L181-T185 PolarHBondContact O-N 3.39Å; L181-T185 VanDerWaalsContact O-N 3.15Å; L181-T185 PolarHBondContact O-OG1 2.85Å; L181-L194 HydrophobicContact CD2-CD2 4.3Å; L181-L544 HydrophobicContact CD1-CD2 4.1Å; L181-L544 HydrophobicContact CD1-CG 4.36Å; L181-L544 HydrophobicContact CD2-CD1 3.95Å; L181-L544 HydrophobicContact CD2-CD2 4.17Å; L181-L544 HydrophobicContact CD2-CG 4.49Å; L181-L544 HydrophobicContact CG-CD1 4.22Å
182	L	63.6	Low	64	Low	7 Å²	7	70.5 Å²	70.5	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-34.1	176.7	-54.7	178.7	0	0	0	111.8	F33 L36 V179 R184 T185 L198	F33-L182 HydrophobicContact CD1-CD1 3.49Å; F33-L182 VanDerWaalsContact CD1-CD1 3.49Å; F33-L182 HydrophobicContact CD1-CD2 3.62Å; F33-L182 HydrophobicContact CD1-CG 4.2Å; F33-L182 HydrophobicContact CE1-CD1 3.77Å; F33-L182 HydrophobicContact CE1-CD2 4.03Å; F33-L182 HydrophobicContact CE1-CG 4.48Å; F33-L182 HydrophobicContact CG-CD1 4.5Å; L36-L182 HydrophobicContact CD1-CD1 3.71Å; V179-L182 PolarHBondContact O-N 3.39Å; L182-R184 PolarHBondContact O-N 2.96Å; L182-T185 PolarHBondContact O-OG1 3.41Å; L182-T185 VanDerWaalsContact O-OG1 3.09Å; L182-L198 HydrophobicContact CD1-CB 4.19Å; L182-L198 HydrophobicContact CD1-CD2 3.75Å
183	Y	60.9	Low	61.7	Low	44 Å²	44	71.9 Å²	71.9	17%	0.173	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.7	172.5	-72.6	-50.9	0	0	0	114.8	L36 H40 H159 M162 V179 N180 L181	L36-Y183 HydrophobicContact CD2-CE1 4.05Å; L36-Y183 VanDerWaalsContact CD2-OH 3.27Å; L36-Y183 WeakPolarHBondContact CD2-OH 3.49Å; H40-Y183 AromaticContact CE1-CD1 3.93Å; H40-Y183 PolarHBondContact CE1-O 2.93Å; H40-Y183 VanDerWaalsContact CE1-O 3.23Å; H40-Y183 AromaticContact NE2-CD1 3.33Å; H40-Y183 VanDerWaalsContact NE2-CD1 3.33Å; H40-Y183 WeakPolarHBondContact NE2-CD1 3.44Å; H159-Y183 WeakPolarHBondContact CA-OH 3.43Å; H159-Y183 AromaticContact CD2-CE1 3.69Å; H159-Y183 AromaticContact CD2-CZ 3.87Å; M162-Y183 HydrophobicContact CB-CE2 4.18Å; M162-Y183 WeakPolarHBondContact CB-OH 3.45Å; V179-Y183 HydrophobicContact CG1-CD2 3.69Å; V179-Y183 HydrophobicContact CG1-CE2 3.34Å; V179-Y183 VanDerWaalsContact O-CD2 3.31Å; V179-Y183 WeakPolarHBondContact O-CD2 3.31Å; V179-Y183 PolarHBondContact O-N 3.02Å; N180-Y183 PolarHBondContact O-N 3.08Å; L181-Y183 VanDerWaalsContact C-N 3.28Å; L181-Y183 PolarHBondContact O-N 2.9Å
184	R	56.8	Low	59.6	Low	217 Å²	217	72.4 Å²	72.4	82%	0.819	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-16.7	-178.1	-163.5	172.4	-177.4	-177.2	0.3	113.7	N180 L181 L182 H186	N180-R184 PolarHBondContact O-N 3.28Å; N180-R184 VanDerWaalsContact O-N 3.15Å; L181-R184 PolarHBondContact O-N 3.15Å; L182-R184 PolarHBondContact O-N 2.96Å; R184-H186 PolarHBondContact O-N 3.34Å
185	T	50.2	Low	57.6	Low	45 Å²	45	74.9 Å²	74.9	28%	0.276	40%	0.395	S	S	.	.			trans	-73	88.5	-178.8	37.9	0	0	0	0	113.3	M37 L181 L182 L194	M37-T185 WeakPolarHBondContact CE-O 3.49Å; L181-T185 PolarHBondContact O-N 3.39Å; L181-T185 VanDerWaalsContact O-N 3.15Å; L181-T185 PolarHBondContact O-OG1 2.85Å; L182-T185 PolarHBondContact O-OG1 3.41Å; L182-T185 VanDerWaalsContact O-OG1 3.09Å; T185-L194 HydrophobicContact CG2-CD2 3.65Å
186	H	46.9	Very low	55.9	Low	164 Å²	164	78.1 Å²	78.1	76%	0.759	41%	0.409	S	S	*	.			trans	-66.6	130.2	154.1	-83.1	-97.1	0	0	0	109.4	R184 K188	R184-H186 PolarHBondContact O-N 3.34Å; H186-K188 PolarHBondContact O-N 3.41Å
187	I	45.9	Very low	54.5	Low	133 Å²	133	78.2 Å²	78.2	68%	0.682	41%	0.41	S	S	*	.	S	Bend	trans	-75.9	84.4	-170	-53.9	171.7	0	0	0	110.6	M37	M37-I187 HydrophobicContact CE-CD1 3.74Å; M37-I187 HydrophobicContact CE-CG1 3.54Å
188	K	39.1	Very low	54	Low	211 Å²	211	78.2 Å²	78.2	92%	0.917	41%	0.41	S	S	*	.			trans	-145.3	17	170.6	-80.3	-152.9	176.5	-172.5	0	115.4	H186	H186-K188 PolarHBondContact O-N 3.41Å
189	S	36.7	Very low	53.7	Low	97 Å²	97	78.5 Å²	78.5	68%	0.678	41%	0.411	S	S	*	.			trans	-131.1	138.5	170.6	-175.6	0	0	0	0	111.3	S191	S189-S191 VanDerWaalsContact C-N 3.3Å; S189-S191 PolarHBondContact O-N 3.3Å; S189-S191 PolarHBondContact OG-OG 3.22Å
190	S	34.6	Very low	53.7	Low	128 Å²	128	79.2 Å²	79.2	90%	0.895	42%	0.418	S	S	*	.			trans	-87.8	15.9	-176.3	46.2	0	0	0	0	114.3	L192	S190-L192 PolarHBondContact O-N 2.97Å
191	S	39.1	Very low	54.2	Low	74 Å²	74	76.4 Å²	76.4	52%	0.517	40%	0.403	S	S	.	.			trans	-79	84.1	177.6	56.3	0	0	0	0	112.3	S189 S193 L194	S189-S191 VanDerWaalsContact C-N 3.3Å; S189-S191 PolarHBondContact O-N 3.3Å; S189-S191 PolarHBondContact OG-OG 3.22Å; S191-S193 PolarHBondContact O-N 2.8Å; S191-L194 PolarHBondContact O-N 2.99Å
192	L	45.4	Very low	55	Low	138 Å²	138	75.9 Å²	75.9	72%	0.723	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-55.3	-12.4	178.3	-168.2	63.4	0	0	0	114.9	S190 L194 T195	S190-L192 PolarHBondContact O-N 2.97Å; L192-L194 PolarHBondContact O-N 3.1Å; L192-T195 PolarHBondContact O-OG1 3.2Å
193	S	43.6	Very low	55.8	Low	57 Å²	57	79 Å²	79	40%	0.399	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-62.5	-36.6	179.9	-146.7	0	0	0	0	113.5	S191 T195 H196 E539	S191-S193 PolarHBondContact O-N 2.8Å; S193-T195 VanDerWaalsContact C-N 3.26Å; S193-T195 PolarHBondContact O-N 2.79Å; S193-T195 VanDerWaalsContact O-N 3.15Å; S193-H196 WeakPolarHBondContact O-CB 3.47Å; S193-H196 PolarHBondContact O-CD2 2.73Å; S193-H196 PolarHBondContact O-N 3.1Å; S193-E539 VanDerWaalsContact CB-OE1 3.27Å; S193-E539 WeakPolarHBondContact CB-OE1 3.47Å; S193-E539 PolarHBondContact OG-OE1 3.13Å
194	L	47.8	Very low	57	Low	71 Å²	71	79.2 Å²	79.2	37%	0.372	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-67.3	-24.8	-166.7	-143.3	74.8	0	0	0	114	L181 T185 S191 L192 H196	L181-L194 HydrophobicContact CD2-CD2 4.3Å; T185-L194 HydrophobicContact CG2-CD2 3.65Å; S191-L194 PolarHBondContact O-N 2.99Å; L192-L194 PolarHBondContact O-N 3.1Å; L194-H196 PolarHBondContact O-N 3.44Å
195	T	50.2	Low	58.6	Low	59 Å²	59	68.9 Å²	68.9	36%	0.362	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.1	173.5	35.1	0	0	0	0	113.7	F33 L192 S193 G197	F33-T195 HydrophobicContact CD1-CG2 4.06Å; F33-T195 WeakPolarHBondContact CE1-O 3.23Å; F33-T195 HydrophobicContact CG-CG2 4.46Å; F33-T195 WeakPolarHBondContact CZ-O 3.25Å; L192-T195 PolarHBondContact O-OG1 3.2Å; S193-T195 VanDerWaalsContact C-N 3.26Å; S193-T195 PolarHBondContact O-N 2.79Å; S193-T195 VanDerWaalsContact O-N 3.15Å; T195-G197 VanDerWaalsContact C-N 3.28Å; T195-G197 PolarHBondContact O-N 2.83Å
196	H	55.7	Low	60.7	Low	102 Å²	102	66.8 Å²	66.8	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-73.3	-20	178.5	-71.2	-80.3	0	0	0	113.5	S193 L194 E199 G200	S193-H196 WeakPolarHBondContact O-CB 3.47Å; S193-H196 PolarHBondContact O-CD2 2.73Å; S193-H196 PolarHBondContact O-N 3.1Å; L194-H196 PolarHBondContact O-N 3.44Å; H196-E199 PolarHBondContact O-N 2.94Å; H196-G200 PolarHBondContact O-N 3.39Å
197	G	59.6	Low	63	Low	2 Å²	2	63 Å²	63	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-52.1	-171.1	0	0	0	0	0	115.3	T195 E199 G200 I201 I541 G542	T195-G197 VanDerWaalsContact C-N 3.28Å; T195-G197 PolarHBondContact O-N 2.83Å; G197-E199 VanDerWaalsContact C-N 3.28Å; G197-E199 PolarHBondContact O-N 2.93Å; G197-G200 PolarHBondContact O-N 3.06Å; G197-I201 PolarHBondContact O-N 2.94Å; G197-I201 VanDerWaalsContact O-N 3.14Å; G197-I541 CarbonylContact O-C 3.56Å; G197-G542 VanDerWaalsContact CA-CA 3.48Å; G197-G542 VanDerWaalsContact CA-N 3.3Å
198	L	71.2	Confident	65.3	Low	3 Å²	3	56.7 Å²	56.7	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-69.4	-28.7	-179.7	-167	70.9	0	0	0	111.9	F33 L36 M162 A178 V179 L182 I201 L202 L212	F33-L198 HydrophobicContact CE1-CB 3.57Å; F33-L198 HydrophobicContact CZ-CB 3.64Å; L36-L198 HydrophobicContact CD1-CD2 4.06Å; M162-L198 HydrophobicContact CE-CD2 4.46Å; A178-L198 HydrophobicContact CB-CB 4.29Å; A178-L198 HydrophobicContact CB-CD1 3.99Å; V179-L198 HydrophobicContact CG2-CD1 3.62Å; L182-L198 HydrophobicContact CD1-CB 4.19Å; L182-L198 HydrophobicContact CD1-CD2 3.75Å; L198-I201 HydrophobicContact CD1-CG2 4.1Å; L198-I201 VanDerWaalsContact O-CG2 3.3Å; L198-I201 WeakPolarHBondContact O-CG2 3.43Å; L198-L202 HydrophobicContact CG-CD1 4.18Å; L198-L202 VanDerWaalsContact O-CB 3.31Å; L198-L202 WeakPolarHBondContact O-CB 3.47Å; L198-L202 WeakPolarHBondContact O-CD1 3.31Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.45Å; L198-L212 HydrophobicContact CD1-CD2 3.83Å
199	E	71.2	Confident	67.9	Low	9 Å²	9	46.7 Å²	46.7	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	-46.7	176.4	176.7	64.5	-170.5	0	0	109.4	S28 G29 F33 H196 G197 I201 L202 Q203	S28-E199 PolarHBondContact N-OE1 3.3Å; S28-E199 PolarHBondContact OG-OE1 3.4Å; G29-E199 WeakPolarHBondContact CA-OE2 3.39Å; G29-E199 PolarHBondContact N-OE2 3.11Å; F33-E199 HydrophobicContact CE2-CB 4.07Å; F33-E199 HydrophobicContact CZ-CB 3.93Å; H196-E199 PolarHBondContact O-N 2.94Å; G197-E199 VanDerWaalsContact C-N 3.28Å; G197-E199 PolarHBondContact O-N 2.93Å; E199-I201 PolarHBondContact O-N 2.99Å; E199-L202 CarbonylContact O-C 3.43Å; E199-L202 PolarHBondContact O-N 3.29Å; E199-L202 VanDerWaalsContact O-N 3.13Å; E199-Q203 HydrophobicContact CG-CG 4.41Å; E199-Q203 WeakPolarHBondContact O-CB 3.48Å; E199-Q203 VanDerWaalsContact O-CG 3.3Å; E199-Q203 WeakPolarHBondContact O-CG 3.45Å; E199-Q203 PolarHBondContact O-N 3.38Å; E199-Q203 PolarHBondContact OE1-NE2 2.67Å
200	G	73.7	Confident	70.7	Confident	15 Å²	15	42 Å²	42	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-41.2	178.9	0	0	0	0	0	113.4	H196 G197 Q203 R204 T540	H196-G200 PolarHBondContact O-N 3.39Å; G197-G200 PolarHBondContact O-N 3.06Å; G200-Q203 PolarHBondContact O-N 3.28Å; G200-R204 VanDerWaalsContact O-CG 3.32Å; G200-R204 WeakPolarHBondContact O-CG 3.29Å; G200-R204 PolarHBondContact O-N 2.99Å; G200-T540 VanDerWaalsContact CA-O 3.32Å; G200-T540 WeakPolarHBondContact CA-O 3.45Å
201	I	80.8	Confident	73.7	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-41.7	171	-167	64.6	0	0	0	111.7	A178 G197 L198 E199 Q203 R204 T209 L212 I541	A178-I201 HydrophobicContact CB-CG2 4.41Å; G197-I201 PolarHBondContact O-N 2.94Å; G197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 HydrophobicContact CD1-CG2 4.1Å; L198-I201 VanDerWaalsContact O-CG2 3.3Å; L198-I201 WeakPolarHBondContact O-CG2 3.43Å; E199-I201 PolarHBondContact O-N 2.99Å; I201-Q203 PolarHBondContact O-N 2.98Å; I201-R204 HydrophobicContact CD1-CB 4.42Å; I201-R204 HydrophobicContact CD1-CG 4.32Å; I201-R204 WeakPolarHBondContact O-CB 3.5Å; I201-R204 PolarHBondContact O-N 3.33Å; I201-T209 PolarHBondContact O-OG1 2.98Å; I201-L212 HydrophobicContact CG2-CD2 4.12Å; I201-I541 HydrophobicContact CB-CB 4.25Å; I201-I541 HydrophobicContact CD1-CB 4.42Å
202	L	82.4	Confident	76.3	Confident	17 Å²	17	32.5 Å²	32.5	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-21.9	174.5	-75.2	170.1	0	0	0	113.7	L198 E199 L212	L198-L202 HydrophobicContact CG-CD1 4.18Å; L198-L202 VanDerWaalsContact O-CB 3.31Å; L198-L202 WeakPolarHBondContact O-CB 3.47Å; L198-L202 WeakPolarHBondContact O-CD1 3.31Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.45Å; E199-L202 CarbonylContact O-C 3.43Å; E199-L202 PolarHBondContact O-N 3.29Å; E199-L202 VanDerWaalsContact O-N 3.13Å; L202-L212 HydrophobicContact CD2-CD2 3.68Å; L202-L212 HydrophobicContact CD2-CG 4.15Å; L202-L212 HydrophobicContact CG-CD2 3.97Å
203	Q	80.8	Confident	78.6	Confident	73 Å²	73	26 Å²	26	34%	0.341	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.7	171.3	-71.6	-169.9	26.4	0	0	113.7	E199 G200 I201 R375	E199-Q203 HydrophobicContact CG-CG 4.41Å; E199-Q203 WeakPolarHBondContact O-CB 3.48Å; E199-Q203 VanDerWaalsContact O-CG 3.3Å; E199-Q203 WeakPolarHBondContact O-CG 3.45Å; E199-Q203 PolarHBondContact O-N 3.38Å; E199-Q203 PolarHBondContact OE1-NE2 2.67Å; G200-Q203 PolarHBondContact O-N 3.28Å; I201-Q203 PolarHBondContact O-N 2.98Å; Q203-R375 PolarHBondContact O-NE 3.43Å; Q203-R375 PolarHBondContact O-NH2 3.22Å
204	R	86.4	Confident	81.1	Confident	47 Å²	47	23.2 Å²	23.2	18%	0.177	11%	0.114	C	C	.	.	S	Bend	trans	-81.5	155.2	175.1	-64.8	-136.2	65.2	121.5	6.7	112.1	G200 I201 S206 T209 S477 E529 I541	G200-R204 VanDerWaalsContact O-CG 3.32Å; G200-R204 WeakPolarHBondContact O-CG 3.29Å; G200-R204 PolarHBondContact O-N 2.99Å; I201-R204 HydrophobicContact CD1-CB 4.42Å; I201-R204 HydrophobicContact CD1-CG 4.32Å; I201-R204 WeakPolarHBondContact O-CB 3.5Å; I201-R204 PolarHBondContact O-N 3.33Å; R204-S206 PolarHBondContact O-N 2.79Å; R204-T209 WeakPolarHBondContact O-CG2 3.45Å; R204-S477 PolarHBondContact NH2-OG 2.68Å; R204-E529 IonicContact CZ-OE2 3.32Å; R204-E529 IonicContact NE-OE2 3.19Å; R204-E529 PolarHBondContact NE-OE2 2.82Å; R204-E529 IonicContact NH2-OE2 2.67Å; R204-E529 PolarHBondContact NH2-OE2 2.88Å; R204-I541 HydrophobicContact CG-CG2 4.16Å
205	G	90.3	Very high	83.4	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.01	10%	0.097	C	C	.	.			trans	-81.7	19.1	172.3	0	0	0	0	0	114.4	Y527 L528 E529	G205-Y527 CarbonylContact O-C 3.57Å; G205-Y527 WeakPolarHBondContact O-CB 3.38Å; G205-L528 PolarHBondContact O-N 3.4Å; G205-E529 VanDerWaalsContact N-CD 3.29Å; G205-E529 PolarHBondContact N-OE2 2.95Å; G205-E529 VanDerWaalsContact N-OE2 3.09Å; G205-E529 PolarHBondContact O-N 3.3Å
206	S	94.2	Very high	85.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-91	169.2	-156.2	86.6	0	0	0	0	115.4	R204 E208 T209 A210	R204-S206 PolarHBondContact O-N 2.79Å; S206-E208 VanDerWaalsContact C-N 3.33Å; S206-E208 WeakPolarHBondContact CB-OE2 3.34Å; S206-E208 PolarHBondContact O-N 2.75Å; S206-E208 PolarHBondContact OG-N 2.04Å; S206-E208 PolarHBondContact OG-OE2 3.43Å; S206-T209 WeakPolarHBondContact O-CB 3.08Å; S206-T209 PolarHBondContact O-N 2.97Å; S206-T209 PolarHBondContact OG-N 2.85Å; S206-T209 PolarHBondContact OG-OG1 3.23Å; S206-A210 PolarHBondContact O-N 2.73Å
207	R	95.3	Very high	87.5	Confident	84 Å²	84	12.7 Å²	12.7	32%	0.317	6%	0.059	S	C	.	.	H	α-helix	trans	-63.2	-39.4	175.8	-71.7	-178.4	-66.8	-177.1	-2.2	112.4	T209 A210 F211 Y430 A433 Y527 S531	R207-T209 VanDerWaalsContact C-N 3.27Å; R207-T209 PolarHBondContact O-N 2.95Å; R207-A210 WeakPolarHBondContact O-CA 3.2Å; R207-A210 VanDerWaalsContact O-CB 3.28Å; R207-A210 WeakPolarHBondContact O-CB 3.32Å; R207-A210 PolarHBondContact O-N 3.35Å; R207-F211 PolarHBondContact O-N 2.83Å; R207-Y430 HydrophobicContact CB-CD2 3.87Å; R207-Y430 HydrophobicContact CB-CE2 3.52Å; R207-Y430 WeakPolarHBondContact O-CD2 3.48Å; R207-A433 HydrophobicContact CG-CB 4.33Å; R207-Y527 HydrophobicContact CG-CD1 3.32Å; R207-Y527 HydrophobicContact CG-CD2 4.03Å; R207-Y527 HydrophobicContact CG-CE1 3.54Å; R207-Y527 HydrophobicContact CG-CE2 4.23Å; R207-Y527 HydrophobicContact CG-CG 3.54Å; R207-S531 PolarHBondContact NE-OG 2.82Å; R207-S531 VanDerWaalsContact NE-OG 3.16Å; R207-S531 PolarHBondContact NH2-OG 3.2Å
208	E	93.9	Very high	89.3	Confident	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.058	C	C	.	.	H	α-helix	trans	-64.5	-39	-179.7	-54.4	72.8	-149.2	0	0	109.4	W174 S206 F211 L212 Y430 S531 Y534	W174-E208 HydrophobicContact CD2-CB 3.93Å; W174-E208 HydrophobicContact CD2-CG 3.81Å; W174-E208 HydrophobicContact CE3-CB 3.84Å; W174-E208 HydrophobicContact CE3-CG 3.7Å; W174-E208 HydrophobicContact CG-CG 4.22Å; W174-E208 HydrophobicContact CH2-CB 3.83Å; W174-E208 HydrophobicContact CZ2-CB 3.93Å; W174-E208 HydrophobicContact CZ3-CB 3.79Å; W174-E208 HydrophobicContact CZ3-CG 4.13Å; S206-E208 VanDerWaalsContact C-N 3.33Å; S206-E208 WeakPolarHBondContact CB-OE2 3.34Å; S206-E208 PolarHBondContact O-N 2.75Å; S206-E208 PolarHBondContact OG-N 2.04Å; S206-E208 PolarHBondContact OG-OE2 3.43Å; E208-F211 PolarHBondContact O-N 3.47Å; E208-L212 VanDerWaalsContact O-CB 3.26Å; E208-L212 WeakPolarHBondContact O-CB 3.3Å; E208-L212 PolarHBondContact O-N 2.88Å; E208-Y430 HydrophobicContact CG-CE2 4.19Å; E208-S531 VanDerWaalsContact OE1-CB 3.23Å; E208-S531 WeakPolarHBondContact OE1-CB 2.9Å; E208-S531 PolarHBondContact OE1-OG 2.94Å; E208-Y534 VanDerWaalsContact CD-OH 3.25Å; E208-Y534 HydrophobicContact CG-CE2 3.99Å; E208-Y534 WeakPolarHBondContact CG-OH 3.29Å; E208-Y534 PolarHBondContact OE2-OH 3.49Å
209	T	93.2	Very high	90.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.5	-39.1	171.5	-46.2	0	0	0	0	112.1	I201 R204 S206 R207 L212 S213 M378	I201-T209 PolarHBondContact O-OG1 2.98Å; R204-T209 WeakPolarHBondContact O-CG2 3.45Å; S206-T209 WeakPolarHBondContact O-CB 3.08Å; S206-T209 PolarHBondContact O-N 2.97Å; S206-T209 PolarHBondContact OG-N 2.85Å; S206-T209 PolarHBondContact OG-OG1 3.23Å; R207-T209 VanDerWaalsContact C-N 3.27Å; R207-T209 PolarHBondContact O-N 2.95Å; T209-L212 PolarHBondContact O-N 3.44Å; T209-S213 WeakPolarHBondContact O-CB 3.33Å; T209-S213 PolarHBondContact O-N 2.91Å; T209-S213 PolarHBondContact O-OG 2.91Å; T209-M378 HydrophobicContact CG2-CE 4.09Å
210	A	96	Very high	91.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-39.2	175.1	0	0	0	0	0	112.6	S206 R207 S213 S214 N382 L525 V526	S206-A210 PolarHBondContact O-N 2.73Å; R207-A210 WeakPolarHBondContact O-CA 3.2Å; R207-A210 VanDerWaalsContact O-CB 3.28Å; R207-A210 WeakPolarHBondContact O-CB 3.32Å; R207-A210 PolarHBondContact O-N 3.35Å; A210-S213 PolarHBondContact O-OG 3.41Å; A210-S214 VanDerWaalsContact O-CB 3.31Å; A210-S214 WeakPolarHBondContact O-CB 3.4Å; A210-S214 PolarHBondContact O-N 3.43Å; A210-S214 PolarHBondContact O-OG 3.19Å; A210-N382 WeakPolarHBondContact CA-ND2 3.31Å; A210-N382 WeakPolarHBondContact CB-ND2 3.42Å; A210-L525 HydrophobicContact CB-CB 4.15Å; A210-V526 WeakPolarHBondContact CB-O 3.49Å
211	F	96.3	Very high	93	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.5	-50.4	171.1	-179.1	-81.6	0	0	0	111.2	C165 Q168 F169 R207 E208 S213 S214 S215 L426 K427 Y430	C165-F211 HydrophobicContact CB-CD1 4.49Å; C165-F211 HydrophobicContact CB-CE1 3.88Å; Q168-F211 HydrophobicContact CB-CZ 4.25Å; Q168-F211 HydrophobicContact CG-CZ 4.24Å; F169-F211 HydrophobicContact CD2-CD1 4.35Å; F169-F211 HydrophobicContact CD2-CE1 4.25Å; F169-F211 HydrophobicContact CD2-CZ 4.46Å; F169-F211 HydrophobicContact CE2-CB 4.42Å; F169-F211 AromaticContact CE2-CD1 3.64Å; F169-F211 HydrophobicContact CE2-CD1 3.64Å; F169-F211 AromaticContact CE2-CD2 3.75Å; F169-F211 HydrophobicContact CE2-CD2 3.75Å; F169-F211 AromaticContact CE2-CE1 3.8Å; F169-F211 HydrophobicContact CE2-CE1 3.8Å; F169-F211 AromaticContact CE2-CE2 3.84Å; F169-F211 HydrophobicContact CE2-CE2 3.84Å; F169-F211 AromaticContact CE2-CG 3.64Å; F169-F211 HydrophobicContact CE2-CG 3.64Å; F169-F211 AromaticContact CE2-CZ 3.89Å; F169-F211 HydrophobicContact CE2-CZ 3.89Å; F169-F211 HydrophobicContact CZ-CB 4.45Å; F169-F211 HydrophobicContact CZ-CD1 4.45Å; F169-F211 HydrophobicContact CZ-CD2 4.18Å; F169-F211 HydrophobicContact CZ-CG 4.09Å; R207-F211 PolarHBondContact O-N 2.83Å; E208-F211 PolarHBondContact O-N 3.47Å; F211-S213 PolarHBondContact O-N 3.34Å; F211-S214 PolarHBondContact O-N 3.08Å; F211-S214 PolarHBondContact O-OG 2.95Å; F211-S215 WeakPolarHBondContact O-CB 3.06Å; F211-S215 PolarHBondContact O-N 3.47Å; F211-L426 HydrophobicContact CD2-CB 4.03Å; F211-L426 HydrophobicContact CE2-CB 3.54Å; F211-L426 HydrophobicContact CZ-CB 4.27Å; F211-K427 HydrophobicContact CE2-CB 4.41Å; F211-Y430 HydrophobicContact CB-CD2 3.88Å; F211-Y430 HydrophobicContact CB-CG 4.33Å
212	L	94	Very high	93.8	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-58	-49.8	-175.5	-176.9	64	0	0	0	111.8	M162 V179 L198 I201 L202 E208 T209 S214 W216	M162-L212 HydrophobicContact CE-CD1 4.1Å; M162-L212 HydrophobicContact SD-CD1 3.51Å; M162-L212 VanDerWaalsContact SD-CD1 3.51Å; V179-L212 HydrophobicContact CG2-CD1 4.18Å; L198-L212 HydrophobicContact CD1-CD2 3.83Å; I201-L212 HydrophobicContact CG2-CD2 4.12Å; L202-L212 HydrophobicContact CD2-CD2 3.68Å; L202-L212 HydrophobicContact CD2-CG 4.15Å; L202-L212 HydrophobicContact CG-CD2 3.97Å; E208-L212 VanDerWaalsContact O-CB 3.26Å; E208-L212 WeakPolarHBondContact O-CB 3.3Å; E208-L212 PolarHBondContact O-N 2.88Å; T209-L212 PolarHBondContact O-N 3.44Å; L212-S214 PolarHBondContact O-N 3.43Å; L212-W216 VanDerWaalsContact O-CB 3.25Å; L212-W216 WeakPolarHBondContact O-CB 3.4Å; L212-W216 PolarHBondContact O-N 3.48Å
213	S	93.6	Very high	94.6	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-66.1	-33.4	178.9	58.1	0	0	0	0	113.5	T209 A210 F211 S217 N382 K383	T209-S213 WeakPolarHBondContact O-CB 3.33Å; T209-S213 PolarHBondContact O-N 2.91Å; T209-S213 PolarHBondContact O-OG 2.91Å; A210-S213 PolarHBondContact O-OG 3.41Å; F211-S213 PolarHBondContact O-N 3.34Å; S213-S217 WeakPolarHBondContact O-CB 3.38Å; S213-S217 PolarHBondContact O-N 3.36Å; S213-N382 WeakPolarHBondContact OG-CB 3.1Å; S213-K383 WeakPolarHBondContact O-CG 3.3Å
214	S	96.7	Very high	95.4	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-79	-40.1	177.3	61.3	0	0	0	0	112.9	A210 F211 L212 S217 A218 N382 L525	A210-S214 VanDerWaalsContact O-CB 3.31Å; A210-S214 WeakPolarHBondContact O-CB 3.4Å; A210-S214 PolarHBondContact O-N 3.43Å; A210-S214 PolarHBondContact O-OG 3.19Å; F211-S214 PolarHBondContact O-N 3.08Å; F211-S214 PolarHBondContact O-OG 2.95Å; L212-S214 PolarHBondContact O-N 3.43Å; S214-S217 PolarHBondContact O-N 3.3Å; S214-A218 VanDerWaalsContact O-CB 3.3Å; S214-A218 WeakPolarHBondContact O-CB 3.48Å; S214-A218 PolarHBondContact O-N 3.08Å; S214-N382 WeakPolarHBondContact CB-O 3.35Å; S214-L525 WeakPolarHBondContact OG-CD2 3.32Å
215	S	95.9	Very high	95.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-63.2	-48.4	174.2	-173.4	0	0	0	0	111.8	G161 F211 S217 A218 G219	G161-S215 PolarHBondContact O-OG 2.88Å; F211-S215 WeakPolarHBondContact O-CB 3.06Å; F211-S215 PolarHBondContact O-N 3.47Å; S215-S217 PolarHBondContact O-N 2.84Å; S215-A218 PolarHBondContact O-N 3.14Å; S215-A218 VanDerWaalsContact O-N 3.15Å; S215-G219 PolarHBondContact O-N 3.19Å
216	W	94.4	Very high	96.3	Very high	10 Å²	10	7.1 Å²	7.1	4%	0.038	3%	0.027	C	C	.	.	H	α-helix	trans	-56.6	-49.4	174.8	177.4	32.8	0	0	0	111.7	W31 V32 T158 M162 L212 A218 G219 V220 L274	W31-W216 AromaticContact CH2-CH2 3.67Å; W31-W216 HydrophobicContact CH2-CH2 3.67Å; W31-W216 AromaticContact CH2-CZ2 3.36Å; W31-W216 HydrophobicContact CH2-CZ2 3.36Å; W31-W216 AromaticContact CZ2-CH2 3.52Å; W31-W216 HydrophobicContact CZ2-CH2 3.52Å; W31-W216 AromaticContact CZ2-CZ2 3.76Å; W31-W216 HydrophobicContact CZ2-CZ2 3.76Å; W31-W216 HydrophobicContact CZ3-CZ2 4.01Å; V32-W216 HydrophobicContact CB-CH2 4.45Å; V32-W216 HydrophobicContact CB-CZ2 4.42Å; V32-W216 HydrophobicContact CG1-CH2 4.23Å; V32-W216 HydrophobicContact CG1-CZ2 3.91Å; V32-W216 HydrophobicContact CG2-CH2 3.33Å; V32-W216 HydrophobicContact CG2-CZ2 3.62Å; V32-W216 HydrophobicContact CG2-CZ3 4.23Å; T158-W216 PolarHBondContact OG1-NE1 3.46Å; M162-W216 HydrophobicContact CE-CB 4.15Å; M162-W216 HydrophobicContact CE-CD2 4.37Å; M162-W216 HydrophobicContact CE-CG 4.03Å; L212-W216 VanDerWaalsContact O-CB 3.25Å; L212-W216 WeakPolarHBondContact O-CB 3.4Å; L212-W216 PolarHBondContact O-N 3.48Å; W216-A218 VanDerWaalsContact C-N 3.28Å; W216-A218 PolarHBondContact O-N 3Å; W216-G219 PolarHBondContact O-N 3.21Å; W216-V220 WeakPolarHBondContact O-CG2 3.45Å; W216-V220 PolarHBondContact O-N 3.08Å; W216-L274 HydrophobicContact CD2-CD2 4.4Å; W216-L274 HydrophobicContact CH2-CD2 3.96Å; W216-L274 HydrophobicContact CZ2-CD2 3.58Å
217	S	97	Very high	96.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-70	-22	179.4	-168.1	0	0	0	0	114.1	S213 S214 S215 V221 L274 K383 R387	S213-S217 WeakPolarHBondContact O-CB 3.38Å; S213-S217 PolarHBondContact O-N 3.36Å; S214-S217 PolarHBondContact O-N 3.3Å; S215-S217 PolarHBondContact O-N 2.84Å; S217-V221 WeakPolarHBondContact O-CG2 3.28Å; S217-V221 PolarHBondContact O-N 3.15Å; S217-L274 WeakPolarHBondContact OG-CD1 3.24Å; S217-K383 PolarHBondContact OG-O 3.29Å; S217-R387 WeakPolarHBondContact OG-CD 3.48Å; S217-R387 WeakPolarHBondContact OG-CG 3.42Å; S217-R387 PolarHBondContact OG-NH1 3.28Å
218	A	98.1	Very high	96.5	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-76.1	-45.2	171.6	0	0	0	0	0	111.2	S214 S215 W216 V220 V221 Q222 I390 F419 I422 L426	S214-A218 VanDerWaalsContact O-CB 3.3Å; S214-A218 WeakPolarHBondContact O-CB 3.48Å; S214-A218 PolarHBondContact O-N 3.08Å; S215-A218 PolarHBondContact O-N 3.14Å; S215-A218 VanDerWaalsContact O-N 3.15Å; W216-A218 VanDerWaalsContact C-N 3.28Å; W216-A218 PolarHBondContact O-N 3Å; A218-V220 PolarHBondContact O-N 2.73Å; A218-V221 PolarHBondContact O-N 2.91Å; A218-Q222 PolarHBondContact O-N 3.21Å; A218-I390 HydrophobicContact CB-CD1 4.03Å; A218-I390 HydrophobicContact CB-CG1 4.05Å; A218-F419 HydrophobicContact CB-CE2 3.99Å; A218-F419 HydrophobicContact CB-CZ 4.26Å; A218-I422 HydrophobicContact CB-CG2 4.16Å; A218-L426 HydrophobicContact CB-CD1 4.31Å
219	G	97.9	Very high	96.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-61	-43	178.2	0	0	0	0	0	112.5	G157 S215 W216 Q222 A223 F419	G157-G219 VanDerWaalsContact CA-C 3.45Å; G157-G219 VanDerWaalsContact CA-O 3.23Å; G157-G219 WeakPolarHBondContact CA-O 3.46Å; G157-G219 CarbonylContact O-C 3.55Å; G157-G219 VanDerWaalsContact O-C 3.26Å; G157-G219 WeakPolarHBondContact O-CA 3.42Å; S215-G219 PolarHBondContact O-N 3.19Å; W216-G219 PolarHBondContact O-N 3.21Å; G219-Q222 WeakPolarHBondContact O-CB 3.47Å; G219-Q222 PolarHBondContact O-N 3.3Å; G219-A223 PolarHBondContact O-N 3.46Å; G219-F419 VanDerWaalsContact CA-CE2 3.5Å
220	V	97.4	Very high	96.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.6	-42.1	174.1	170.9	0	0	0	0	112.4	M154 G157 W216 A218 Q222 I224 A270 L274	M154-V220 HydrophobicContact CE-CG1 4.06Å; M154-V220 HydrophobicContact CE-CG2 4.41Å; M154-V220 HydrophobicContact SD-CG1 3.4Å; M154-V220 WeakPolarHBondContact SD-CG1 3.48Å; G157-V220 PolarHBondContact O-N 3.06Å; W216-V220 WeakPolarHBondContact O-CG2 3.45Å; W216-V220 PolarHBondContact O-N 3.08Å; A218-V220 PolarHBondContact O-N 2.73Å; V220-Q222 VanDerWaalsContact C-N 3.35Å; V220-Q222 PolarHBondContact O-N 3.19Å; V220-I224 HydrophobicContact CG1-CD1 3.69Å; V220-I224 HydrophobicContact CG1-CG1 4.39Å; V220-I224 WeakPolarHBondContact O-CB 3.36Å; V220-I224 VanDerWaalsContact O-CG1 3.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.4Å; V220-I224 PolarHBondContact O-N 2.67Å; V220-A270 HydrophobicContact CG1-CB 3.79Å; V220-L274 HydrophobicContact CB-CD1 3.94Å; V220-L274 HydrophobicContact CG1-CD1 3.98Å; V220-L274 HydrophobicContact CG1-CG 4.43Å; V220-L274 HydrophobicContact CG2-CD1 4.19Å
221	V	98.4	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-43.4	173.7	170	0	0	0	0	111.2	S217 A218 T225 I263 M267 A270 R387 I390	S217-V221 WeakPolarHBondContact O-CG2 3.28Å; S217-V221 PolarHBondContact O-N 3.15Å; A218-V221 PolarHBondContact O-N 2.91Å; V221-T225 VanDerWaalsContact O-CB 3.26Å; V221-T225 WeakPolarHBondContact O-CB 3.25Å; V221-T225 PolarHBondContact O-N 3.15Å; V221-T225 PolarHBondContact O-OG1 3.09Å; V221-I263 HydrophobicContact CG1-CG2 4.49Å; V221-M267 HydrophobicContact CG1-CG 3.89Å; V221-M267 HydrophobicContact CG2-CG 4.34Å; V221-A270 HydrophobicContact CG2-CB 3.41Å; V221-A270 VanDerWaalsContact CG2-CB 3.41Å; V221-R387 HydrophobicContact CG2-CB 4.11Å; V221-R387 HydrophobicContact CG2-CG 3.58Å; V221-I390 HydrophobicContact CB-CG1 4.33Å; V221-I390 HydrophobicContact CG1-CB 4.13Å; V221-I390 HydrophobicContact CG1-CG1 4.21Å; V221-I390 HydrophobicContact CG1-CG2 3.91Å
222	Q	98.1	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-46.7	179.6	179.4	128.2	-19.2	0	0	111.6	L160 A218 G219 V220 T225 R226 I390 V416 N417 F419	L160-Q222 HydrophobicContact CD2-CB 4.08Å; L160-Q222 HydrophobicContact CD2-CG 3.8Å; A218-Q222 PolarHBondContact O-N 3.21Å; G219-Q222 WeakPolarHBondContact O-CB 3.47Å; G219-Q222 PolarHBondContact O-N 3.3Å; V220-Q222 VanDerWaalsContact C-N 3.35Å; V220-Q222 PolarHBondContact O-N 3.19Å; Q222-T225 PolarHBondContact O-N 3.26Å; Q222-R226 WeakPolarHBondContact O-CB 3.27Å; Q222-R226 WeakPolarHBondContact O-CG 3.02Å; Q222-R226 PolarHBondContact O-N 3.43Å; Q222-I390 HydrophobicContact CB-CD1 4.38Å; Q222-V416 HydrophobicContact CG-CB 4.5Å; Q222-V416 HydrophobicContact CG-CG2 4Å; Q222-N417 PolarHBondContact NE2-O 3.12Å; Q222-N417 PolarHBondContact OE1-O 3.43Å; Q222-F419 HydrophobicContact CB-CD2 4.27Å; Q222-F419 HydrophobicContact CG-CD2 4.34Å
223	A	97.9	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69	-46.8	-179.5	0	0	0	0	0	113	A153 E156 G219 T225 R226 A227	A153-A223 WeakPolarHBondContact O-CB 3.37Å; E156-A223 HydrophobicContact CB-CB 4.08Å; E156-A223 HydrophobicContact CG-CB 4.14Å; G219-A223 PolarHBondContact O-N 3.46Å; A223-T225 VanDerWaalsContact C-N 3.27Å; A223-T225 PolarHBondContact O-N 2.98Å; A223-R226 PolarHBondContact O-N 3.32Å; A223-A227 WeakPolarHBondContact O-CB 3.2Å; A223-A227 PolarHBondContact O-N 2.9Å
224	I	97.9	Very high	96.1	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57	-44.5	174.4	-66.5	169.4	0	0	0	110.3	L150 A153 M154 V220 A227 C228 M233 F265 L269 A270	L150-I224 HydrophobicContact CD1-CD1 3.62Å; L150-I224 HydrophobicContact CD1-CG1 3.86Å; A153-I224 HydrophobicContact CB-CB 4.44Å; A153-I224 HydrophobicContact CB-CG1 3.84Å; M154-I224 HydrophobicContact SD-CD1 4.07Å; V220-I224 HydrophobicContact CG1-CD1 3.69Å; V220-I224 HydrophobicContact CG1-CG1 4.39Å; V220-I224 WeakPolarHBondContact O-CB 3.36Å; V220-I224 VanDerWaalsContact O-CG1 3.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.4Å; V220-I224 PolarHBondContact O-N 2.67Å; I224-A227 PolarHBondContact O-N 3.37Å; I224-C228 PolarHBondContact O-N 2.61Å; I224-C228 PolarHBondContact O-SG 3.28Å; I224-M233 HydrophobicContact CG2-CE 4.36Å; I224-M233 HydrophobicContact CG2-SD 4.09Å; I224-F265 HydrophobicContact CG2-CD1 4.3Å; I224-F265 HydrophobicContact CG2-CE1 4.2Å; I224-L269 HydrophobicContact CD1-CB 4.46Å; I224-L269 HydrophobicContact CD1-CG 4.36Å; I224-L269 HydrophobicContact CG2-CD2 4.19Å; I224-A270 HydrophobicContact CD1-CB 4.22Å
225	T	98	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-43.7	-179.9	-52.8	0	0	0	0	112.1	V221 Q222 A223 S229 D261 P262 I263 V416	V221-T225 VanDerWaalsContact O-CB 3.26Å; V221-T225 WeakPolarHBondContact O-CB 3.25Å; V221-T225 PolarHBondContact O-N 3.15Å; V221-T225 PolarHBondContact O-OG1 3.09Å; Q222-T225 PolarHBondContact O-N 3.26Å; A223-T225 VanDerWaalsContact C-N 3.27Å; A223-T225 PolarHBondContact O-N 2.98Å; T225-S229 PolarHBondContact O-N 3.34Å; T225-S229 VanDerWaalsContact O-N 3.11Å; T225-S229 PolarHBondContact O-OG 3.33Å; T225-D261 HydrophobicContact CG2-CB 3.6Å; T225-P262 HydrophobicContact CG2-CG 4.34Å; T225-I263 HydrophobicContact CG2-CB 4.33Å; T225-I263 HydrophobicContact CG2-CG1 3.71Å; T225-V416 HydrophobicContact CG2-CG1 3.95Å
226	R	97.3	Very high	95.8	Very high	51 Å²	51	24.6 Å²	24.6	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-34	176.5	-76.3	-179.1	171.5	-170.2	-5	112.1	Q222 A223 S229 R230 V416 E418	Q222-R226 WeakPolarHBondContact O-CB 3.27Å; Q222-R226 WeakPolarHBondContact O-CG 3.02Å; Q222-R226 PolarHBondContact O-N 3.43Å; A223-R226 PolarHBondContact O-N 3.32Å; R226-S229 PolarHBondContact O-N 2.99Å; R226-S229 PolarHBondContact O-OG 3.39Å; R226-R230 WeakPolarHBondContact O-CB 3.15Å; R226-R230 VanDerWaalsContact O-CD 3.25Å; R226-R230 WeakPolarHBondContact O-CD 3.37Å; R226-R230 WeakPolarHBondContact O-CG 3.39Å; R226-R230 PolarHBondContact O-N 3.4Å; R226-R230 VanDerWaalsContact O-N 3.1Å; R226-V416 HydrophobicContact CG-CG2 3.82Å; R226-V416 VanDerWaalsContact NE-CG2 3.29Å; R226-E418 IonicContact CZ-OE2 3.23Å; R226-E418 IonicContact NH1-OE2 3.67Å; R226-E418 VanDerWaalsContact NH2-CD 3.25Å; R226-E418 IonicContact NH2-OE1 3.26Å; R226-E418 PolarHBondContact NH2-OE1 2.87Å; R226-E418 IonicContact NH2-OE2 2.82Å; R226-E418 PolarHBondContact NH2-OE2 2.92Å
227	A	97.3	Very high	95.8	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-46.3	175.9	0	0	0	0	0	111.2	A153 A223 I224 S229 R230 G231 Q232 M233	A153-A227 HydrophobicContact CB-CB 3.93Å; A223-A227 WeakPolarHBondContact O-CB 3.2Å; A223-A227 PolarHBondContact O-N 2.9Å; I224-A227 PolarHBondContact O-N 3.37Å; A227-S229 PolarHBondContact O-N 2.9Å; A227-R230 PolarHBondContact O-N 2.83Å; A227-G231 PolarHBondContact O-N 3.33Å; A227-Q232 HydrophobicContact CB-CB 4.16Å; A227-Q232 PolarHBondContact O-N 3.02Å; A227-M233 HydrophobicContact CB-CG 3.89Å; A227-M233 HydrophobicContact CB-SD 3.85Å
228	C	97.2	Very high	95.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-49.7	171.9	-60.2	0	0	0	0	111.9	I224 R230 G231 C236 P262	I224-C228 PolarHBondContact O-N 2.61Å; I224-C228 PolarHBondContact O-SG 3.28Å; C228-R230 PolarHBondContact O-N 3.34Å; C228-R230 VanDerWaalsContact O-N 3.16Å; C228-G231 PolarHBondContact O-N 3.17Å; C228-G231 VanDerWaalsContact O-N 3.07Å; C228-C236 VanDerWaalsContact CA-SG 3.55Å; C228-C236 HydrophobicContact CB-CB 3.75Å; C228-C236 WeakPolarHBondContact CB-SG 3.32Å; C228-C236 WeakPolarHBondContact SG-CB 3.03Å; C228-C236 CovalentContact SG-SG 2.03Å; C228-C236 PolarHBondContact SG-SG 3.42Å; C228-P262 HydrophobicContact CB-CG 3.5Å; C228-P262 VanDerWaalsContact CB-CG 3.5Å
229	S	95.9	Very high	95.6	Very high	15 Å²	15	30.3 Å²	30.3	11%	0.105	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	7.9	-179	65	0	0	0	0	115.4	T225 R226 A227 C259 D261 R415	T225-S229 PolarHBondContact O-N 3.34Å; T225-S229 VanDerWaalsContact O-N 3.11Å; T225-S229 PolarHBondContact O-OG 3.33Å; R226-S229 PolarHBondContact O-N 2.99Å; R226-S229 PolarHBondContact O-OG 3.39Å; A227-S229 PolarHBondContact O-N 2.9Å; S229-C259 WeakPolarHBondContact CB-SG 3.47Å; S229-D261 WeakPolarHBondContact CB-OD1 3.47Å; S229-D261 PolarHBondContact OG-OD1 2.92Å; S229-R415 PolarHBondContact OG-NH1 3.09Å
230	R	95.8	Very high	95.3	Very high	120 Å²	120	34.4 Å²	34.4	45%	0.453	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-0.7	167.3	-69.9	165.5	-178.7	160.9	-2.9	112.4	E156 R226 A227 C228 Q232	E156-R230 IonicContact OE1-CZ 3.62Å; E156-R230 IonicContact OE1-NH1 3.52Å; E156-R230 PolarHBondContact OE1-NH1 3.36Å; E156-R230 IonicContact OE1-NH2 2.81Å; E156-R230 PolarHBondContact OE1-NH2 3.41Å; E156-R230 IonicContact OE2-NH1 3.3Å; E156-R230 PolarHBondContact OE2-NH1 3.03Å; R226-R230 WeakPolarHBondContact O-CB 3.15Å; R226-R230 VanDerWaalsContact O-CD 3.25Å; R226-R230 WeakPolarHBondContact O-CD 3.37Å; R226-R230 WeakPolarHBondContact O-CG 3.39Å; R226-R230 PolarHBondContact O-N 3.4Å; R226-R230 VanDerWaalsContact O-N 3.1Å; A227-R230 PolarHBondContact O-N 2.83Å; C228-R230 PolarHBondContact O-N 3.34Å; C228-R230 VanDerWaalsContact O-N 3.16Å; R230-Q232 VanDerWaalsContact C-N 3.28Å; R230-Q232 HydrophobicContact CB-CG 3.79Å; R230-Q232 PolarHBondContact O-N 3.39Å
231	G	94.8	Very high	94.8	Very high	66 Å²	66	41.7 Å²	41.7	68%	0.68	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	14.7	-173.1	0	0	0	0	0	114.9	A227 C228 M233	A227-G231 PolarHBondContact O-N 3.33Å; C228-G231 PolarHBondContact O-N 3.17Å; C228-G231 VanDerWaalsContact O-N 3.07Å; G231-M233 VanDerWaalsContact C-N 3.27Å; G231-M233 PolarHBondContact O-N 3.3Å
232	Q	92.9	Very high	94.1	Very high	97 Å²	97	44.1 Å²	44.1	45%	0.453	26%	0.255	S	S	.	.			trans	-84.5	6.7	-176	-62.6	-179.6	-56.2	0	0	114	A227 R230	A227-Q232 HydrophobicContact CB-CB 4.16Å; A227-Q232 PolarHBondContact O-N 3.02Å; R230-Q232 VanDerWaalsContact C-N 3.28Å; R230-Q232 HydrophobicContact CB-CG 3.79Å; R230-Q232 PolarHBondContact O-N 3.39Å
233	M	93	Very high	93.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	28%	0.275	C	S	.	.			trans	-142.2	111	179.4	-77.4	-175.5	64.4	0	0	109.7	T148 L150 A153 I224 A227 G231 T235 C236 L269	T148-M233 WeakPolarHBondContact O-CA 3.23Å; L150-M233 HydrophobicContact CB-CE 3.87Å; L150-M233 HydrophobicContact CD1-CE 4.16Å; A153-M233 HydrophobicContact CB-SD 3.91Å; I224-M233 HydrophobicContact CG2-CE 4.36Å; I224-M233 HydrophobicContact CG2-SD 4.09Å; A227-M233 HydrophobicContact CB-CG 3.89Å; A227-M233 HydrophobicContact CB-SD 3.85Å; G231-M233 VanDerWaalsContact C-N 3.27Å; G231-M233 PolarHBondContact O-N 3.3Å; M233-T235 PolarHBondContact O-N 3.23Å; M233-C236 VanDerWaalsContact CB-SG 3.54Å; M233-C236 PolarHBondContact O-N 2.87Å; M233-L269 HydrophobicContact CE-CD2 3.91Å
234	G	86.6	Confident	92.8	Very high	74 Å²	74	57.2 Å²	57.2	76%	0.763	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	2.9	-174.7	0	0	0	0	0	116.3
235	T	91.4	Very high	92.5	Very high	53 Å²	53	59.6 Å²	59.6	33%	0.325	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	8.8	-177.8	55	0	0	0	0	113.9	H147 M233	H147-T235 WeakPolarHBondContact ND1-CB 3.17Å; H147-T235 PolarHBondContact ND1-OG1 3.46Å; M233-T235 PolarHBondContact O-N 3.23Å
236	C	94.9	Very high	92.2	Very high	24 Å²	24	66.3 Å²	66.3	16%	0.162	37%	0.367	C	S	.	.			trans	-154.1	158.2	176.5	51.8	0	0	0	0	112.8	C228 M233 F265	C228-C236 VanDerWaalsContact CA-SG 3.55Å; C228-C236 HydrophobicContact CB-CB 3.75Å; C228-C236 WeakPolarHBondContact CB-SG 3.32Å; C228-C236 WeakPolarHBondContact SG-CB 3.03Å; C228-C236 CovalentContact SG-SG 2.03Å; C228-C236 PolarHBondContact SG-SG 3.42Å; M233-C236 VanDerWaalsContact CB-SG 3.54Å; M233-C236 PolarHBondContact O-N 2.87Å; C236-F265 HydrophobicContact CB-CD1 3.79Å; C236-F265 HydrophobicContact CB-CD2 4.37Å; C236-F265 HydrophobicContact CB-CE1 3.5Å; C236-F265 VanDerWaalsContact CB-CE1 3.5Å; C236-F265 HydrophobicContact CB-CE2 4.11Å; C236-F265 HydrophobicContact CB-CG 4.23Å; C236-F265 HydrophobicContact CB-CZ 3.67Å
237	D	94.7	Very high	91.9	Very high	92 Å²	92	64.5 Å²	64.5	49%	0.492	37%	0.365	S	S	.	.			trans	-145	175.1	-177.9	-176.8	18.8	0	0	0	109	R243 P262	D237-R243 VanDerWaalsContact CG-NH2 3.34Å; D237-R243 IonicContact OD1-NH2 3.59Å; D237-R243 IonicContact OD2-CZ 2.99Å; D237-R243 IonicContact OD2-NH1 3.56Å; D237-R243 PolarHBondContact OD2-NH1 3.35Å; D237-R243 IonicContact OD2-NH2 2.73Å; D237-R243 PolarHBondContact OD2-NH2 2.81Å; D237-P262 WeakPolarHBondContact O-CB 3.42Å; D237-P262 WeakPolarHBondContact O-CG 3.38Å
238	C	95.7	Very high	91.7	Very high	20 Å²	20	74.2 Å²	74.2	14%	0.135	40%	0.401	C	S	.	.	S	Bend	trans	-52.4	143.9	176.9	-48.7	0	0	0	0	112.8	P240 R243 C259 S260	C238-P240 WeakPolarHBondContact O-CD 3.47Å; C238-R243 PolarHBondContact O-NH2 2.64Å; C238-C259 HydrophobicContact CB-CB 4Å; C238-C259 WeakPolarHBondContact CB-SG 3.39Å; C238-C259 VanDerWaalsContact SG-CA 3.57Å; C238-C259 WeakPolarHBondContact SG-CB 3.46Å; C238-C259 CovalentContact SG-SG 2.03Å; C238-C259 PolarHBondContact SG-SG 2.85Å; C238-S260 CarbonylContact C-O 3.26Å; C238-S260 WeakPolarHBondContact CA-O 3.28Å
239	D	95.1	Very high	91.4	Very high	17 Å²	17	77 Å²	77	9%	0.091	42%	0.415	C	S	.	.			trans	-50.7	111.3	-177.3	-174.9	-1.3	0	0	0	111.8	H241 R242 S260	D239-H241 PolarHBondContact O-N 3.4Å; D239-H241 IonicContact OD1-CD2 3.81Å; D239-H241 PolarHBondContact OD1-CD2 3.14Å; D239-H241 IonicContact OD1-CG 3.48Å; D239-H241 PolarHBondContact OD1-N 3.42Å; D239-R242 PolarHBondContact O-N 3.15Å; D239-R242 IonicContact OD2-NE 3.78Å; D239-S260 PolarHBondContact N-O 2.93Å
240	P	91.2	Very high	91.2	Very high	86 Å²	86	81.6 Å²	81.6	56%	0.558	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-65.8	-24.7	-175.1	26.9	-34.8	0	0	0	112.6	C238 R242	C238-P240 WeakPolarHBondContact O-CD 3.47Å; P240-R242 PolarHBondContact O-N 2.78Å; P240-R242 VanDerWaalsContact O-N 3.11Å
241	H	87	Confident	91	Very high	153 Å²	153	82.9 Å²	82.9	71%	0.708	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-76.1	6.2	-179.8	-54.8	-66.4	0	0	0	114	D239	D239-H241 PolarHBondContact O-N 3.4Å; D239-H241 IonicContact OD1-CD2 3.81Å; D239-H241 PolarHBondContact OD1-CD2 3.14Å; D239-H241 IonicContact OD1-CG 3.48Å; D239-H241 PolarHBondContact OD1-N 3.42Å
242	R	84.3	Confident	90.8	Very high	52 Å²	52	80.9 Å²	80.9	20%	0.196	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-140.7	27.9	-173.8	-61.6	-173.2	174.5	-73.8	-16.1	113.6	D239 P240 W256 S260 Q414	D239-R242 PolarHBondContact O-N 3.15Å; D239-R242 IonicContact OD2-NE 3.78Å; P240-R242 PolarHBondContact O-N 2.78Å; P240-R242 VanDerWaalsContact O-N 3.11Å; R242-W256 HydrophobicContact CB-CE3 4.26Å; R242-S260 WeakPolarHBondContact CB-OG 3.47Å; R242-Q414 VanDerWaalsContact CZ-CD 3.5Å; R242-Q414 VanDerWaalsContact NE-OE1 3.1Å
243	R	83.7	Confident	90.9	Very high	109 Å²	109	81.1 Å²	81.1	41%	0.411	45%	0.448	S	S	.	.	S	Bend	trans	-87.1	-27.8	176.5	-62.6	-175.5	-175.5	-153.7	-1.1	112.8	D237 C238 G257	D237-R243 VanDerWaalsContact CG-NH2 3.34Å; D237-R243 IonicContact OD1-NH2 3.59Å; D237-R243 IonicContact OD2-CZ 2.99Å; D237-R243 IonicContact OD2-NH1 3.56Å; D237-R243 PolarHBondContact OD2-NH1 3.35Å; D237-R243 IonicContact OD2-NH2 2.73Å; D237-R243 PolarHBondContact OD2-NH2 2.81Å; C238-R243 PolarHBondContact O-NH2 2.64Å; R243-G257 WeakPolarHBondContact O-CA 3.42Å
244	E	84.7	Confident	90.9	Very high	166 Å²	166	81.6 Å²	81.6	78%	0.776	45%	0.45	S	S	*	.	S	Bend	trans	-145.8	172.3	-169.1	-70	173.2	-149.1	0	0	112.1
245	G	90.6	Very high	91.3	Very high	49 Å²	49	80.8 Å²	80.8	51%	0.505	43%	0.43	S	S	.	.	S	Bend	trans	86.4	179.8	-178.5	0	0	0	0	0	113.4	W256	G245-W256 PolarHBondContact O-N 3.35Å
246	Q	91.6	Very high	91.5	Very high	141 Å²	141	80.1 Å²	80.1	66%	0.659	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	152	-179	-70.2	-179.6	-6.2	0	0	112.4	I253 F254 W256	Q246-I253 HydrophobicContact CB-CG2 4.24Å; Q246-I253 HydrophobicContact CG-CG2 4.21Å; Q246-F254 CarbonylContact C-O 3.57Å; Q246-F254 WeakPolarHBondContact CA-O 3.37Å; Q246-W256 PolarHBondContact O-NE1 3.34Å
247	G	92.1	Very high	91.5	Very high	13 Å²	13	79.4 Å²	79.4	13%	0.134	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	170.1	165.4	0	0	0	0	0	110.7	I253 F254	G247-I253 WeakPolarHBondContact O-CA 3.48Å; G247-F254 PolarHBondContact N-O 2.93Å; G247-F254 PolarHBondContact O-N 2.92Å
248	R	92.1	Very high	91.4	Very high	208 Å²	208	77.8 Å²	77.8	79%	0.785	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.3	174.3	-174.5	176.6	179.2	174.6	1.5	109.9	G252	R248-G252 WeakPolarHBondContact CA-O 3.37Å
249	D	91.5	Very high	91.4	Very high	59 Å²	59	78.2 Å²	78.2	32%	0.316	43%	0.426	S	S	.	.			trans	-136.4	-158.5	169.4	60.7	30.5	0	0	0	109.7	E251 G252 F254 R410	D249-E251 VanDerWaalsContact C-N 3.35Å; D249-E251 WeakPolarHBondContact OD1-CB 3.38Å; D249-E251 PolarHBondContact OD1-N 2.91Å; D249-G252 PolarHBondContact N-O 2.84Å; D249-G252 PolarHBondContact O-N 3.03Å; D249-G252 PolarHBondContact OD1-N 3.22Å; D249-F254 HydrophobicContact CB-CE1 4.26Å; D249-R410 VanDerWaalsContact CG-NH2 3.3Å; D249-R410 IonicContact OD1-CZ 3.02Å; D249-R410 IonicContact OD1-NH1 3.43Å; D249-R410 PolarHBondContact OD1-NH1 3.01Å; D249-R410 IonicContact OD1-NH2 2.67Å; D249-R410 PolarHBondContact OD1-NH2 3.18Å; D249-R410 IonicContact OD2-CZ 2.7Å; D249-R410 IonicContact OD2-NH1 3.44Å; D249-R410 PolarHBondContact OD2-NH1 2.8Å; D249-R410 IonicContact OD2-NH2 3.6Å; D249-R410 PolarHBondContact OD2-NH2 3.13Å
250	A	92.4	Very high	91.5	Very high	112 Å²	112	77.4 Å²	77.4	93%	0.926	42%	0.423	S	S	*	.	S	Bend	trans	-71.9	-23.6	179.7	0	0	0	0	0	114.1
251	E	90.1	Very high	91.8	Very high	148 Å²	148	73.5 Å²	73.5	69%	0.692	40%	0.397	S	S	*	.	S	Bend	trans	-83.5	-15.2	177.8	-62.6	170.3	-174.8	0	0	111.8	D249 R410	D249-E251 VanDerWaalsContact C-N 3.35Å; D249-E251 WeakPolarHBondContact OD1-CB 3.38Å; D249-E251 PolarHBondContact OD1-N 2.91Å; E251-R410 IonicContact OE2-CZ 3.3Å; E251-R410 VanDerWaalsContact OE2-CZ 3.25Å; E251-R410 IonicContact OE2-NE 3.49Å; E251-R410 IonicContact OE2-NH1 3.72Å; E251-R410 PolarHBondContact OE2-NH1 2.79Å
252	G	91.6	Very high	92.2	Very high	24 Å²	24	66.6 Å²	66.6	25%	0.247	37%	0.366	C	S	.	.			trans	129.1	-153.4	176.6	0	0	0	0	0	113.3	R248 D249 R410	R248-G252 WeakPolarHBondContact CA-O 3.37Å; D249-G252 PolarHBondContact N-O 2.84Å; D249-G252 PolarHBondContact O-N 3.03Å; D249-G252 PolarHBondContact OD1-N 3.22Å; G252-R410 PolarHBondContact O-NH2 3.48Å
253	I	93.9	Very high	92.8	Very high	102 Å²	102	64.2 Å²	64.2	52%	0.523	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	147.7	176.1	-61.7	173.1	0	0	0	109.5	Q246 G247	Q246-I253 HydrophobicContact CB-CG2 4.24Å; Q246-I253 HydrophobicContact CG-CG2 4.21Å; G247-I253 WeakPolarHBondContact O-CA 3.48Å
254	F	94.5	Very high	93.4	Very high	11 Å²	11	66.4 Å²	66.4	5%	0.048	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	161.6	172.4	62.6	-98.5	0	0	0	110.5	Q246 G247 D249 W256 T396 R410 C412	Q246-F254 CarbonylContact C-O 3.57Å; Q246-F254 WeakPolarHBondContact CA-O 3.37Å; G247-F254 PolarHBondContact N-O 2.93Å; G247-F254 PolarHBondContact O-N 2.92Å; D249-F254 HydrophobicContact CB-CE1 4.26Å; F254-W256 AromaticContact CE2-CD2 3.91Å; F254-W256 HydrophobicContact CE2-CD2 3.91Å; F254-W256 AromaticContact CE2-CE2 3.62Å; F254-W256 HydrophobicContact CE2-CE3 4.18Å; F254-W256 AromaticContact CE2-CH2 3.84Å; F254-W256 HydrophobicContact CE2-CH2 3.84Å; F254-W256 AromaticContact CE2-CZ2 3.6Å; F254-W256 HydrophobicContact CE2-CZ2 3.6Å; F254-W256 HydrophobicContact CE2-CZ3 4.14Å; F254-W256 AromaticContact CZ-CH2 3.9Å; F254-W256 HydrophobicContact CZ-CH2 3.9Å; F254-W256 AromaticContact CZ-CZ2 3.65Å; F254-W256 HydrophobicContact CZ-CZ2 3.65Å; F254-T396 HydrophobicContact CZ-CG2 4.45Å; F254-R410 HydrophobicContact CB-CG 3.94Å; F254-C412 HydrophobicContact CD2-CB 3.55Å; F254-C412 VanDerWaalsContact CD2-SG 3.51Å; F254-C412 HydrophobicContact CE2-CB 3.72Å; F254-C412 HydrophobicContact CG-CB 4.22Å; F254-C412 VanDerWaalsContact CG-SG 3.54Å; F254-C412 HydrophobicContact CZ-CB 4.5Å
255	T	95.4	Very high	94	Very high	57 Å²	57	61.1 Å²	61.1	35%	0.35	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141	169.9	51.2	0	0	0	0	111.3	R410 T411 C412	T255-R410 PolarHBondContact N-O 3.47Å; T255-T411 CarbonylContact O-C 3.59Å; T255-T411 VanDerWaalsContact O-CA 3.3Å; T255-T411 WeakPolarHBondContact O-CA 2.8Å; T255-T411 PolarHBondContact OG1-OG1 2.8Å; T255-C412 PolarHBondContact O-N 3.14Å
256	W	95.2	Very high	94.3	Very high	40 Å²	40	58.8 Å²	58.8	15%	0.152	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	147.4	163	-67.1	103	0	0	0	109.4	R242 G245 Q246 F254 T396 C412 Q414	R242-W256 HydrophobicContact CB-CE3 4.26Å; G245-W256 PolarHBondContact O-N 3.35Å; Q246-W256 PolarHBondContact O-NE1 3.34Å; F254-W256 AromaticContact CE2-CD2 3.91Å; F254-W256 HydrophobicContact CE2-CD2 3.91Å; F254-W256 AromaticContact CE2-CE2 3.62Å; F254-W256 HydrophobicContact CE2-CE3 4.18Å; F254-W256 AromaticContact CE2-CH2 3.84Å; F254-W256 HydrophobicContact CE2-CH2 3.84Å; F254-W256 AromaticContact CE2-CZ2 3.6Å; F254-W256 HydrophobicContact CE2-CZ2 3.6Å; F254-W256 HydrophobicContact CE2-CZ3 4.14Å; F254-W256 AromaticContact CZ-CH2 3.9Å; F254-W256 HydrophobicContact CZ-CH2 3.9Å; F254-W256 AromaticContact CZ-CZ2 3.65Å; F254-W256 HydrophobicContact CZ-CZ2 3.65Å; W256-T396 HydrophobicContact CH2-CG2 4.45Å; W256-T396 HydrophobicContact CZ3-CG2 4.46Å; W256-C412 WeakPolarHBondContact CA-O 3.28Å; W256-Q414 HydrophobicContact CH2-CG 4.24Å; W256-Q414 HydrophobicContact CZ3-CG 4.01Å
257	G	93.6	Very high	94.6	Very high	8 Å²	8	54 Å²	54	8%	0.082	29%	0.294	C	S	.	.			trans	166.9	175.9	177.8	0	0	0	0	0	112.4	R243 C412 W413	R243-G257 WeakPolarHBondContact O-CA 3.42Å; G257-C412 PolarHBondContact N-O 2.67Å; G257-W413 WeakPolarHBondContact O-CB 3.05Å
258	G	93.3	Very high	94.8	Very high	59 Å²	59	61.8 Å²	61.8	61%	0.608	32%	0.319	S	S	*	.	S	Bend	trans	67.4	-165.3	-170	0	0	0	0	0	112.5	S260	G258-S260 PolarHBondContact O-N 3.3Å
259	C	95.8	Very high	95.1	Very high	28 Å²	28	52.1 Å²	52.1	19%	0.189	28%	0.283	C	S	.	.			trans	-89.4	103.8	-177.6	-169.7	0	0	0	0	112.3	S229 C238	S229-C259 WeakPolarHBondContact CB-SG 3.47Å; C238-C259 HydrophobicContact CB-CB 4Å; C238-C259 WeakPolarHBondContact CB-SG 3.39Å; C238-C259 VanDerWaalsContact SG-CA 3.57Å; C238-C259 WeakPolarHBondContact SG-CB 3.46Å; C238-C259 CovalentContact SG-SG 2.03Å; C238-C259 PolarHBondContact SG-SG 2.85Å
260	S	96.9	Very high	95.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	27%	0.268	C	S	.	.			trans	-78.2	130.9	164.8	-74.8	0	0	0	0	111.1	C238 D239 R242 G258 W413 Q414	C238-S260 CarbonylContact C-O 3.26Å; C238-S260 WeakPolarHBondContact CA-O 3.28Å; D239-S260 PolarHBondContact N-O 2.93Å; R242-S260 WeakPolarHBondContact CB-OG 3.47Å; G258-S260 PolarHBondContact O-N 3.3Å; S260-W413 WeakPolarHBondContact OG-CA 3.25Å; S260-W413 WeakPolarHBondContact OG-CB 3.36Å; S260-Q414 CarbonylContact C-O 3.56Å; S260-Q414 WeakPolarHBondContact CA-O 3.43Å; S260-Q414 PolarHBondContact OG-N 3.07Å
261	D	97.1	Very high	95.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	25%	0.247	C	C	.	.			trans	-62.2	124.5	179.4	-85	1.5	0	0	0	111.7	T225 S229 I263 Q414 R415 V416	T225-D261 HydrophobicContact CG2-CB 3.6Å; S229-D261 WeakPolarHBondContact CB-OD1 3.47Å; S229-D261 PolarHBondContact OG-OD1 2.92Å; D261-I263 HydrophobicContact CB-CD1 4.41Å; D261-I263 HydrophobicContact CB-CG1 4.06Å; D261-I263 PolarHBondContact O-N 3.03Å; D261-Q414 PolarHBondContact N-O 3.12Å; D261-R415 WeakPolarHBondContact OD1-CD 3.42Å; D261-R415 IonicContact OD1-CZ 2.72Å; D261-R415 IonicContact OD1-NE 2.86Å; D261-R415 IonicContact OD1-NH1 2.8Å; D261-R415 PolarHBondContact OD1-NH1 3.11Å; D261-R415 VanDerWaalsContact OD2-CA 3.24Å; D261-R415 WeakPolarHBondContact OD2-CA 3.42Å; D261-R415 WeakPolarHBondContact OD2-CD 3.33Å; D261-V416 PolarHBondContact OD2-N 3.33Å
262	P	97	Very high	95.8	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.058	23%	0.23	C	C	.	.			trans	-79.6	56.1	-175.2	34.6	-38.8	0	0	0	112.9	T225 C228 D237 R264 F265 G266	T225-P262 HydrophobicContact CG2-CG 4.34Å; C228-P262 HydrophobicContact CB-CG 3.5Å; C228-P262 VanDerWaalsContact CB-CG 3.5Å; D237-P262 WeakPolarHBondContact O-CB 3.42Å; D237-P262 WeakPolarHBondContact O-CG 3.38Å; P262-R264 PolarHBondContact O-N 3.44Å; P262-F265 HydrophobicContact CB-CB 4.27Å; P262-F265 WeakPolarHBondContact O-CA 3.35Å; P262-F265 WeakPolarHBondContact O-CB 3.3Å; P262-F265 PolarHBondContact O-N 3.28Å; P262-G266 PolarHBondContact O-N 3.36Å
263	I	96.9	Very high	95.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-32.8	-168.9	-59.4	161	0	0	0	112.7	V221 T225 D261 F265 G266 M267 I390 W391 R394 V416	V221-I263 HydrophobicContact CG1-CG2 4.49Å; T225-I263 HydrophobicContact CG2-CB 4.33Å; T225-I263 HydrophobicContact CG2-CG1 3.71Å; D261-I263 HydrophobicContact CB-CD1 4.41Å; D261-I263 HydrophobicContact CB-CG1 4.06Å; D261-I263 PolarHBondContact O-N 3.03Å; I263-F265 VanDerWaalsContact C-N 3.33Å; I263-F265 PolarHBondContact O-N 3.32Å; I263-G266 PolarHBondContact O-N 3.09Å; I263-M267 HydrophobicContact CG2-CG 4.28Å; I263-M267 HydrophobicContact CG2-SD 4.44Å; I263-M267 WeakPolarHBondContact O-CB 3.25Å; I263-M267 VanDerWaalsContact O-CG 3.3Å; I263-M267 WeakPolarHBondContact O-CG 3.31Å; I263-M267 PolarHBondContact O-N 3.27Å; I263-I390 HydrophobicContact CG2-CG2 4.02Å; I263-W391 HydrophobicContact CB-CE3 3.92Å; I263-W391 HydrophobicContact CB-CZ3 4.28Å; I263-W391 HydrophobicContact CG2-CB 4.28Å; I263-W391 HydrophobicContact CG2-CE3 3.83Å; I263-R394 HydrophobicContact CD1-CB 3.47Å; I263-R394 VanDerWaalsContact CD1-CB 3.47Å; I263-R394 HydrophobicContact CD1-CG 4.17Å; I263-V416 HydrophobicContact CD1-CG1 4.03Å; I263-V416 HydrophobicContact CG1-CG1 3.73Å
264	R	96.4	Very high	95.9	Very high	155 Å²	155	40.3 Å²	40.3	59%	0.585	19%	0.194	S	C	*	.	H	α-helix	trans	-64.4	-34.6	175.9	-69.9	-178.4	173.5	179.5	-3.7	112.9	P262 R268 W391	P262-R264 PolarHBondContact O-N 3.44Å; R264-R268 WeakPolarHBondContact O-CB 3.49Å; R264-R268 PolarHBondContact O-N 3.34Å; R264-W391 HydrophobicContact CG-CE3 4.09Å; R264-W391 HydrophobicContact CG-CH2 3.93Å; R264-W391 HydrophobicContact CG-CZ3 3.59Å
265	F	96.3	Very high	95.9	Very high	55 Å²	55	40 Å²	40	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-69.4	-51.3	173.6	177.1	-88	0	0	0	110	I224 C236 P262 I263 M267 R268 L269	I224-F265 HydrophobicContact CG2-CD1 4.3Å; I224-F265 HydrophobicContact CG2-CE1 4.2Å; C236-F265 HydrophobicContact CB-CD1 3.79Å; C236-F265 HydrophobicContact CB-CD2 4.37Å; C236-F265 HydrophobicContact CB-CE1 3.5Å; C236-F265 VanDerWaalsContact CB-CE1 3.5Å; C236-F265 HydrophobicContact CB-CE2 4.11Å; C236-F265 HydrophobicContact CB-CG 4.23Å; C236-F265 HydrophobicContact CB-CZ 3.67Å; P262-F265 HydrophobicContact CB-CB 4.27Å; P262-F265 WeakPolarHBondContact O-CA 3.35Å; P262-F265 WeakPolarHBondContact O-CB 3.3Å; P262-F265 PolarHBondContact O-N 3.28Å; I263-F265 VanDerWaalsContact C-N 3.33Å; I263-F265 PolarHBondContact O-N 3.32Å; F265-M267 VanDerWaalsContact C-N 3.32Å; F265-M267 PolarHBondContact O-N 2.93Å; F265-R268 WeakPolarHBondContact O-CA 3.1Å; F265-R268 WeakPolarHBondContact O-CB 3.27Å; F265-R268 PolarHBondContact O-N 2.95Å; F265-L269 HydrophobicContact CE1-CB 4.38Å; F265-L269 HydrophobicContact CE1-CD2 3.62Å; F265-L269 HydrophobicContact CZ-CD2 3.77Å; F265-L269 PolarHBondContact O-N 2.76Å
266	G	97.2	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-54.9	-44.9	177	0	0	0	0	0	112.7	P262 I263 R268 A270	P262-G266 PolarHBondContact O-N 3.36Å; I263-G266 PolarHBondContact O-N 3.09Å; G266-R268 VanDerWaalsContact C-N 3.33Å; G266-R268 PolarHBondContact O-N 3.28Å; G266-A270 WeakPolarHBondContact O-CB 3.15Å; G266-A270 PolarHBondContact O-N 2.8Å
267	M	97.7	Very high	95.3	Very high	42 Å²	42	36.1 Å²	36.1	21%	0.207	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-37.8	172.6	-76.6	-175.4	75.5	0	0	113.9	V221 I263 F265 R271 R387 R388 W391	V221-M267 HydrophobicContact CG1-CG 3.89Å; V221-M267 HydrophobicContact CG2-CG 4.34Å; I263-M267 HydrophobicContact CG2-CG 4.28Å; I263-M267 HydrophobicContact CG2-SD 4.44Å; I263-M267 WeakPolarHBondContact O-CB 3.25Å; I263-M267 VanDerWaalsContact O-CG 3.3Å; I263-M267 WeakPolarHBondContact O-CG 3.31Å; I263-M267 PolarHBondContact O-N 3.27Å; F265-M267 VanDerWaalsContact C-N 3.32Å; F265-M267 PolarHBondContact O-N 2.93Å; M267-R271 VanDerWaalsContact O-CB 3.25Å; M267-R271 WeakPolarHBondContact O-CB 3.29Å; M267-R271 PolarHBondContact O-N 2.8Å; M267-R271 VanDerWaalsContact O-N 3.13Å; M267-R387 HydrophobicContact CE-CB 4.07Å; M267-R387 HydrophobicContact CG-CB 4.39Å; M267-R388 HydrophobicContact CE-CG 4.34Å; M267-W391 HydrophobicContact CE-CB 4.42Å; M267-W391 HydrophobicContact SD-CB 3.53Å; M267-W391 VanDerWaalsContact SD-CB 3.53Å; M267-W391 HydrophobicContact SD-CG 4.15Å
268	R	97.3	Very high	95.1	Very high	176 Å²	176	36.3 Å²	36.3	66%	0.664	17%	0.172	S	C	*	.	H	α-helix	trans	-72.7	-47.9	-179.6	-174.4	-171.6	-65.4	-171.9	-0.4	110.8	R264 F265 G266 R271 L272	R264-R268 WeakPolarHBondContact O-CB 3.49Å; R264-R268 PolarHBondContact O-N 3.34Å; F265-R268 WeakPolarHBondContact O-CA 3.1Å; F265-R268 WeakPolarHBondContact O-CB 3.27Å; F265-R268 PolarHBondContact O-N 2.95Å; G266-R268 VanDerWaalsContact C-N 3.33Å; G266-R268 PolarHBondContact O-N 3.28Å; R268-R271 WeakPolarHBondContact O-CB 3.39Å; R268-R271 PolarHBondContact O-N 2.66Å; R268-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 WeakPolarHBondContact O-CG 3.48Å; R268-L272 PolarHBondContact O-N 2.9Å
269	L	96.7	Very high	95	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-68.9	-44.9	-177.6	-170.9	51	0	0	0	111.3	I143 L150 I224 M233 F265 R271 L272 F273	I143-L269 HydrophobicContact CG2-CD1 3.62Å; L150-L269 HydrophobicContact CD1-CD2 3.76Å; L150-L269 HydrophobicContact CD1-CG 3.97Å; L150-L269 HydrophobicContact CD2-CD1 4.06Å; L150-L269 HydrophobicContact CD2-CD2 4.17Å; L150-L269 HydrophobicContact CD2-CG 4.17Å; L150-L269 HydrophobicContact CG-CD2 4.48Å; I224-L269 HydrophobicContact CD1-CB 4.46Å; I224-L269 HydrophobicContact CD1-CG 4.36Å; I224-L269 HydrophobicContact CG2-CD2 4.19Å; M233-L269 HydrophobicContact CE-CD2 3.91Å; F265-L269 HydrophobicContact CE1-CB 4.38Å; F265-L269 HydrophobicContact CE1-CD2 3.62Å; F265-L269 HydrophobicContact CZ-CD2 3.77Å; F265-L269 PolarHBondContact O-N 2.76Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 3.45Å; L269-L272 PolarHBondContact O-N 3.34Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L269-F273 PolarHBondContact O-N 3.43Å
270	A	97	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-35.9	171.7	0	0	0	0	0	112.5	V220 V221 I224 G266 L274	V220-A270 HydrophobicContact CG1-CB 3.79Å; V221-A270 HydrophobicContact CG2-CB 3.41Å; V221-A270 VanDerWaalsContact CG2-CB 3.41Å; I224-A270 HydrophobicContact CD1-CB 4.22Å; G266-A270 WeakPolarHBondContact O-CB 3.15Å; G266-A270 PolarHBondContact O-N 2.8Å; A270-L274 HydrophobicContact CB-CD1 4.44Å; A270-L274 WeakPolarHBondContact O-CB 3.42Å; A270-L274 VanDerWaalsContact O-CG 3.25Å; A270-L274 WeakPolarHBondContact O-CG 3.16Å; A270-L274 PolarHBondContact O-N 3.2Å
271	R	97.1	Very high	94.3	Very high	129 Å²	129	39.5 Å²	39.5	49%	0.487	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-54.7	172.2	-172.4	-157.2	165.2	-166.3	-15.7	110.4	M267 R268 L269 F273 L274 D275 E279	M267-R271 VanDerWaalsContact O-CB 3.25Å; M267-R271 WeakPolarHBondContact O-CB 3.29Å; M267-R271 PolarHBondContact O-N 2.8Å; M267-R271 VanDerWaalsContact O-N 3.13Å; R268-R271 WeakPolarHBondContact O-CB 3.39Å; R268-R271 PolarHBondContact O-N 2.66Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 3.45Å; R271-F273 PolarHBondContact O-N 3.48Å; R271-L274 PolarHBondContact O-N 2.92Å; R271-D275 HydrophobicContact CG-CB 4.42Å; R271-D275 WeakPolarHBondContact CG-OD2 3.41Å; R271-D275 IonicContact NE-OD2 2.98Å; R271-D275 WeakPolarHBondContact O-CB 3.33Å; R271-D275 PolarHBondContact O-N 2.97Å; R271-E279 IonicContact NH2-OE1 2.63Å; R271-E279 PolarHBondContact NH2-OE1 3.49Å
272	L	95.4	Very high	94	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.346	18%	0.18	S	C	.	.	H	α-helix	trans	-58.8	-34.6	-176.1	-71.9	169.2	0	0	0	112.7	I143 R268 L269 A276	I143-L272 HydrophobicContact CD1-CB 4.04Å; I143-L272 WeakPolarHBondContact CD1-O 3.17Å; R268-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 WeakPolarHBondContact O-CG 3.48Å; R268-L272 PolarHBondContact O-N 2.9Å; L269-L272 PolarHBondContact O-N 3.34Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L272-A276 WeakPolarHBondContact O-CB 3.44Å
273	F	94.3	Very high	93.8	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-83.1	-50	177.9	-155.8	-71.6	0	0	0	113.3	W31 L136 Q140 I143 C144 L150 M154 L269 R271	W31-F273 HydrophobicContact CE3-CE1 4.19Å; W31-F273 AromaticContact CH2-CD1 3.85Å; W31-F273 HydrophobicContact CH2-CD1 3.85Å; W31-F273 AromaticContact CH2-CE1 3.63Å; W31-F273 HydrophobicContact CH2-CE1 3.63Å; W31-F273 HydrophobicContact CZ2-CD1 4.47Å; W31-F273 HydrophobicContact CZ2-CE1 4.27Å; W31-F273 HydrophobicContact CZ3-CD1 4.24Å; W31-F273 AromaticContact CZ3-CE1 3.59Å; W31-F273 HydrophobicContact CZ3-CE1 3.59Å; L136-F273 HydrophobicContact CD1-CZ 4.43Å; L136-F273 HydrophobicContact CD2-CE1 3.77Å; L136-F273 HydrophobicContact CD2-CZ 3.67Å; Q140-F273 HydrophobicContact CB-CE1 4.15Å; Q140-F273 HydrophobicContact CB-CE2 4.27Å; Q140-F273 HydrophobicContact CB-CZ 4.01Å; Q140-F273 HydrophobicContact CG-CD1 4.38Å; Q140-F273 HydrophobicContact CG-CE1 4.32Å; Q140-F273 PolarHBondContact NE2-O 3.16Å; Q140-F273 WeakPolarHBondContact O-CE2 3.02Å; I143-F273 HydrophobicContact CB-CD2 4.23Å; I143-F273 HydrophobicContact CG2-CD2 3.89Å; C144-F273 HydrophobicContact CB-CE2 4.07Å; L150-F273 HydrophobicContact CD2-CD2 4.1Å; L150-F273 HydrophobicContact CD2-CE2 4.46Å; M154-F273 HydrophobicContact CE-CB 4.32Å; M154-F273 HydrophobicContact CE-CD1 3.38Å; M154-F273 HydrophobicContact CE-CE1 3.76Å; M154-F273 HydrophobicContact CE-CG 3.84Å; M154-F273 HydrophobicContact CE-CZ 4.48Å; M154-F273 HydrophobicContact SD-CB 4.42Å; M154-F273 HydrophobicContact SD-CD1 4.34Å; M154-F273 HydrophobicContact SD-CG 4.21Å; L269-F273 PolarHBondContact O-N 3.43Å; R271-F273 PolarHBondContact O-N 3.48Å
274	L	93	Very high	93.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-80.8	-28.7	-171.1	-61.9	177.9	0	0	0	114.1	W31 M154 W216 S217 V220 A270 R271 K383	W31-L274 HydrophobicContact CH2-CD2 3.79Å; W31-L274 HydrophobicContact CZ2-CD2 4.4Å; M154-L274 HydrophobicContact CE-CD2 3.73Å; M154-L274 HydrophobicContact CE-CG 4.42Å; W216-L274 HydrophobicContact CD2-CD2 4.4Å; W216-L274 HydrophobicContact CH2-CD2 3.96Å; W216-L274 HydrophobicContact CZ2-CD2 3.58Å; S217-L274 WeakPolarHBondContact OG-CD1 3.24Å; V220-L274 HydrophobicContact CB-CD1 3.94Å; V220-L274 HydrophobicContact CG1-CD1 3.98Å; V220-L274 HydrophobicContact CG1-CG 4.43Å; V220-L274 HydrophobicContact CG2-CD1 4.19Å; A270-L274 HydrophobicContact CB-CD1 4.44Å; A270-L274 WeakPolarHBondContact O-CB 3.42Å; A270-L274 VanDerWaalsContact O-CG 3.25Å; A270-L274 WeakPolarHBondContact O-CG 3.16Å; A270-L274 PolarHBondContact O-N 3.2Å; R271-L274 PolarHBondContact O-N 2.92Å; L274-K383 PolarHBondContact O-NZ 2.86Å
275	D	93.7	Very high	93.4	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.032	19%	0.186	C	C	.	.	S	Bend	trans	-83.8	-20.5	179	-64.9	3	0	0	0	111.4	R271 N277 D278 E279 L380 R387	R271-D275 HydrophobicContact CG-CB 4.42Å; R271-D275 WeakPolarHBondContact CG-OD2 3.41Å; R271-D275 IonicContact NE-OD2 2.98Å; R271-D275 WeakPolarHBondContact O-CB 3.33Å; R271-D275 PolarHBondContact O-N 2.97Å; D275-N277 VanDerWaalsContact C-N 3.29Å; D275-N277 PolarHBondContact O-N 2.97Å; D275-D278 PolarHBondContact O-N 2.94Å; D275-D278 VanDerWaalsContact O-N 3.14Å; D275-E279 HydrophobicContact CB-CG 4.46Å; D275-E279 WeakPolarHBondContact O-CB 3.25Å; D275-E279 WeakPolarHBondContact O-CG 3.26Å; D275-E279 PolarHBondContact O-N 2.82Å; D275-L380 HydrophobicContact CB-CD2 3.46Å; D275-L380 VanDerWaalsContact CB-CD2 3.46Å; D275-R387 IonicContact OD1-CZ 3.82Å; D275-R387 IonicContact OD1-NH1 3.99Å; D275-R387 PolarHBondContact OD1-NH1 3.26Å; D275-R387 IonicContact OD1-NH2 3.98Å; D275-R387 PolarHBondContact OD1-NH2 3.31Å; D275-R387 IonicContact OD2-CZ 3.32Å; D275-R387 IonicContact OD2-NH1 2.78Å; D275-R387 IonicContact OD2-NH2 3.05Å; D275-R387 PolarHBondContact OD2-NH2 3.16Å
276	A	92	Very high	93.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54	-41.6	-173.4	0	0	0	0	0	113.5	Q140 L272 E279 E280	Q140-A276 HydrophobicContact CG-CB 3.84Å; L272-A276 WeakPolarHBondContact O-CB 3.44Å; A276-E279 PolarHBondContact O-N 2.71Å; A276-E280 WeakPolarHBondContact O-CB 3.45Å; A276-E280 PolarHBondContact O-N 2.93Å
277	N	86.3	Confident	93.1	Very high	14 Å²	14	45.9 Å²	45.9	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-74	-36.5	-179.1	-160.3	22.5	0	0	0	113.1	S28 T137 D275 E280 H281	S28-N277 WeakPolarHBondContact CA-ND2 3.33Å; S28-N277 PolarHBondContact O-ND2 3Å; T137-N277 HydrophobicContact CG2-CB 4.36Å; D275-N277 VanDerWaalsContact C-N 3.29Å; D275-N277 PolarHBondContact O-N 2.97Å; N277-E280 PolarHBondContact O-N 3.49Å; N277-H281 WeakPolarHBondContact O-CB 3.26Å; N277-H281 PolarHBondContact O-N 2.94Å; N277-H281 PolarHBondContact O-ND1 3.11Å; N277-H281 PolarHBondContact OD1-CE1 3.23Å; N277-H281 PolarHBondContact OD1-ND1 3.31Å
278	D	89.7	Confident	92.9	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-68.7	-37.8	172.2	-70.9	-66	0	0	0	111	D275 R282 T376 N379 L380 K383	D275-D278 PolarHBondContact O-N 2.94Å; D275-D278 VanDerWaalsContact O-N 3.14Å; D278-R282 VanDerWaalsContact O-CB 3.23Å; D278-R282 WeakPolarHBondContact O-CB 3.41Å; D278-R282 PolarHBondContact O-N 3.15Å; D278-T376 HydrophobicContact CB-CG2 4.21Å; D278-T376 WeakPolarHBondContact O-CG2 3.34Å; D278-N379 VanDerWaalsContact OD1-CB 3.28Å; D278-N379 WeakPolarHBondContact OD1-CB 3.34Å; D278-N379 PolarHBondContact OD1-ND2 2.69Å; D278-L380 HydrophobicContact CB-CD1 4.1Å; D278-L380 HydrophobicContact CB-CD2 3.79Å; D278-L380 HydrophobicContact CB-CG 3.69Å; D278-K383 IonicContact OD2-NZ 3.15Å; D278-K383 PolarHBondContact OD2-NZ 3.24Å
279	E	91.2	Very high	92.6	Very high	39 Å²	39	41.1 Å²	41.1	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-45	172.9	-74.2	-178.1	172.4	0	0	110.3	R139 R271 D275 A276 R282 N283 L380	R139-E279 IonicContact CZ-OE2 3.45Å; R139-E279 IonicContact NH1-OE2 2.92Å; R139-E279 PolarHBondContact NH1-OE2 2.97Å; R139-E279 IonicContact NH2-OE2 3.87Å; R139-E279 PolarHBondContact NH2-OE2 2.79Å; R139-E279 VanDerWaalsContact NH2-OE2 3.08Å; R271-E279 IonicContact NH2-OE1 2.63Å; R271-E279 PolarHBondContact NH2-OE1 3.49Å; D275-E279 HydrophobicContact CB-CG 4.46Å; D275-E279 WeakPolarHBondContact O-CB 3.25Å; D275-E279 WeakPolarHBondContact O-CG 3.26Å; D275-E279 PolarHBondContact O-N 2.82Å; A276-E279 PolarHBondContact O-N 2.71Å; E279-R282 PolarHBondContact O-N 2.91Å; E279-N283 WeakPolarHBondContact O-CB 3.35Å; E279-N283 PolarHBondContact O-N 3.5Å; E279-N283 PolarHBondContact O-ND2 3.02Å; E279-N283 PolarHBondContact O-OD1 3.35Å; E279-L380 HydrophobicContact CG-CD2 4.46Å
280	E	89.5	Confident	92.3	Very high	77 Å²	77	46.7 Å²	46.7	36%	0.36	22%	0.224	S	C	.	.	H	α-helix	trans	-65.3	-49	178.5	-166.4	166.7	150.3	0	0	112.4	T137 A276 N277 R282 N283 A284	T137-E280 WeakPolarHBondContact CB-OE2 3.13Å; T137-E280 WeakPolarHBondContact CG2-OE2 3.39Å; T137-E280 PolarHBondContact OG1-OE2 3.19Å; A276-E280 WeakPolarHBondContact O-CB 3.45Å; A276-E280 PolarHBondContact O-N 2.93Å; N277-E280 PolarHBondContact O-N 3.49Å; E280-R282 VanDerWaalsContact C-N 3.34Å; E280-R282 PolarHBondContact O-N 3.38Å; E280-N283 PolarHBondContact O-N 2.67Å; E280-A284 PolarHBondContact O-N 3.01Å
281	H	88.1	Confident	92	Very high	39 Å²	39	50.3 Å²	50.3	18%	0.181	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-39.4	175.8	-79.9	74.6	0	0	0	112.7	M26 N277 A285 T372 T376	M26-H281 PolarHBondContact O-NE2 3.29Å; N277-H281 WeakPolarHBondContact O-CB 3.26Å; N277-H281 PolarHBondContact O-N 2.94Å; N277-H281 PolarHBondContact O-ND1 3.11Å; N277-H281 PolarHBondContact OD1-CE1 3.23Å; N277-H281 PolarHBondContact OD1-ND1 3.31Å; H281-A285 WeakPolarHBondContact O-CB 3.31Å; H281-A285 PolarHBondContact O-N 3.44Å; H281-T372 HydrophobicContact CB-CG2 4.38Å; H281-T376 HydrophobicContact CB-CG2 3.83Å
282	R	91	Very high	91.6	Very high	67 Å²	67	44.5 Å²	44.5	25%	0.253	22%	0.219	S	C	.	.	H	α-helix	trans	-67.6	-40.5	175.5	-174.7	174.1	152.6	-79	1.2	111.6	D278 E279 E280 A285 V286 T376 D443	D278-R282 VanDerWaalsContact O-CB 3.23Å; D278-R282 WeakPolarHBondContact O-CB 3.41Å; D278-R282 PolarHBondContact O-N 3.15Å; E279-R282 PolarHBondContact O-N 2.91Å; E280-R282 VanDerWaalsContact C-N 3.34Å; E280-R282 PolarHBondContact O-N 3.38Å; R282-A285 PolarHBondContact O-N 3.2Å; R282-V286 WeakPolarHBondContact O-CG2 3.48Å; R282-V286 PolarHBondContact O-N 3.29Å; R282-T376 HydrophobicContact CB-CG2 4.36Å; R282-D443 IonicContact CZ-OD2 3.39Å; R282-D443 VanDerWaalsContact CZ-OD2 3.32Å; R282-D443 IonicContact NE-OD2 2.73Å; R282-D443 PolarHBondContact NE-OD2 3.18Å; R282-D443 VanDerWaalsContact NE-OD2 3.15Å; R282-D443 IonicContact NH2-OD2 3.08Å; R282-D443 PolarHBondContact NH2-OD2 3.39Å
283	N	92.9	Very high	91.3	Very high	79 Å²	79	47 Å²	47	42%	0.422	23%	0.229	S	C	.	.	H	α-helix	trans	-66.4	-43.6	178.8	-69.1	-14.5	0	0	0	111.5	E279 E280 A285 V286 Q287	E279-N283 WeakPolarHBondContact O-CB 3.35Å; E279-N283 PolarHBondContact O-N 3.5Å; E279-N283 PolarHBondContact O-ND2 3.02Å; E279-N283 PolarHBondContact O-OD1 3.35Å; E280-N283 PolarHBondContact O-N 2.67Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-A285 PolarHBondContact O-N 3.18Å; N283-V286 PolarHBondContact O-N 2.99Å; N283-Q287 WeakPolarHBondContact O-CG 3.14Å; N283-Q287 PolarHBondContact O-N 3.46Å
284	A	92.9	Very high	91	Very high	37 Å²	37	52.7 Å²	52.7	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-61.4	-39.1	173.7	0	0	0	0	0	112.3	E280 Q287 R288	E280-A284 PolarHBondContact O-N 3.01Å; A284-Q287 PolarHBondContact O-N 3.18Å; A284-R288 PolarHBondContact O-N 2.5Å
285	A	92.8	Very high	90.7	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-38.1	174.7	0	0	0	0	0	112.6	H281 R282 N283 E289 I369 T372 K373	H281-A285 WeakPolarHBondContact O-CB 3.31Å; H281-A285 PolarHBondContact O-N 3.44Å; R282-A285 PolarHBondContact O-N 3.2Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-A285 PolarHBondContact O-N 3.18Å; A285-E289 WeakPolarHBondContact O-CB 3.36Å; A285-E289 PolarHBondContact O-N 3.17Å; A285-I369 HydrophobicContact CB-CG2 4.36Å; A285-I369 WeakPolarHBondContact O-CG2 3.39Å; A285-T372 HydrophobicContact CB-CG2 4.03Å; A285-K373 HydrophobicContact CB-CD 4.44Å; A285-K373 HydrophobicContact CB-CG 3.82Å
286	V	92.8	Very high	90.4	Very high	43 Å²	43	58.5 Å²	58.5	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-41.7	173.9	168.9	0	0	0	0	111.7	R282 N283 R288 E289 Q290 K373	R282-V286 WeakPolarHBondContact O-CG2 3.48Å; R282-V286 PolarHBondContact O-N 3.29Å; N283-V286 PolarHBondContact O-N 2.99Å; V286-R288 PolarHBondContact O-N 2.99Å; V286-E289 WeakPolarHBondContact O-CB 3.29Å; V286-E289 PolarHBondContact O-N 3.19Å; V286-Q290 PolarHBondContact O-N 2.76Å; V286-Q290 VanDerWaalsContact O-N 3.17Å; V286-K373 HydrophobicContact CG2-CD 4.28Å
287	Q	93.8	Very high	90.1	Very high	124 Å²	124	62.8 Å²	62.8	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-42.7	175.5	-73.7	171.8	-18	0	0	111.7	N283 A284 E289 Q290 E291	N283-Q287 WeakPolarHBondContact O-CG 3.14Å; N283-Q287 PolarHBondContact O-N 3.46Å; A284-Q287 PolarHBondContact O-N 3.18Å; Q287-E289 VanDerWaalsContact C-N 3.34Å; Q287-E289 PolarHBondContact O-N 3.43Å; Q287-Q290 WeakPolarHBondContact O-CB 3.4Å; Q287-Q290 PolarHBondContact O-N 3.31Å; Q287-E291 PolarHBondContact O-N 3.07Å
288	R	92.8	Very high	90.1	Very high	49 Å²	49	66.5 Å²	66.5	19%	0.185	32%	0.317	C	S	.	.	H	α-helix	trans	-72.2	-26.5	175.8	-160.9	165.3	-179.3	137.8	-7.7	113	I21 I23 A284 V286 Q290 E291 L292 E365 I369	I21-R288 PolarHBondContact O-NH1 3.15Å; I23-R288 VanDerWaalsContact CD1-NH1 3.3Å; A284-R288 PolarHBondContact O-N 2.5Å; V286-R288 PolarHBondContact O-N 2.99Å; R288-Q290 PolarHBondContact O-N 3.41Å; R288-E291 PolarHBondContact O-N 2.66Å; R288-L292 HydrophobicContact CG-CD1 4.48Å; R288-L292 HydrophobicContact CG-CG 4.28Å; R288-L292 WeakPolarHBondContact O-CB 3.41Å; R288-L292 VanDerWaalsContact O-CG 3.28Å; R288-L292 WeakPolarHBondContact O-CG 3.48Å; R288-L292 PolarHBondContact O-N 3.43Å; R288-E365 IonicContact CZ-OE1 3.84Å; R288-E365 IonicContact CZ-OE2 3.21Å; R288-E365 IonicContact NE-OE2 2.74Å; R288-E365 PolarHBondContact NE-OE2 3Å; R288-E365 IonicContact NH2-OE1 2.79Å; R288-E365 PolarHBondContact NH2-OE1 3.2Å; R288-E365 IonicContact NH2-OE2 2.87Å; R288-E365 PolarHBondContact NH2-OE2 3.38Å; R288-I369 HydrophobicContact CB-CD1 4.02Å; R288-I369 HydrophobicContact CG-CD1 4.09Å
289	E	91.3	Very high	89.7	Confident	69 Å²	69	67.2 Å²	67.2	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-34.8	169.5	-163.6	169.7	-156.1	0	0	111.5	A285 V286 Q287 H293 I369 K373	A285-E289 WeakPolarHBondContact O-CB 3.36Å; A285-E289 PolarHBondContact O-N 3.17Å; V286-E289 WeakPolarHBondContact O-CB 3.29Å; V286-E289 PolarHBondContact O-N 3.19Å; Q287-E289 VanDerWaalsContact C-N 3.34Å; Q287-E289 PolarHBondContact O-N 3.43Å; E289-H293 WeakPolarHBondContact O-CB 3.47Å; E289-H293 PolarHBondContact O-N 2.98Å; E289-H293 VanDerWaalsContact O-N 3.12Å; E289-I369 HydrophobicContact CB-CG2 4.09Å; E289-I369 HydrophobicContact CG-CG2 4.38Å; E289-K373 IonicContact OE1-NZ 3.78Å; E289-K373 IonicContact OE2-NZ 2.65Å; E289-K373 PolarHBondContact OE2-NZ 3.29Å
290	Q	91.5	Very high	89.3	Confident	121 Å²	121	69.2 Å²	69.2	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-71.5	-49.8	172.8	-63.8	167.8	-35.1	0	0	111.7	V286 Q287 R288 L292 H293 E294	V286-Q290 PolarHBondContact O-N 2.76Å; V286-Q290 VanDerWaalsContact O-N 3.17Å; Q287-Q290 WeakPolarHBondContact O-CB 3.4Å; Q287-Q290 PolarHBondContact O-N 3.31Å; R288-Q290 PolarHBondContact O-N 3.41Å; Q290-L292 VanDerWaalsContact C-N 3.26Å; Q290-L292 PolarHBondContact O-N 3.45Å; Q290-H293 WeakPolarHBondContact O-CB 3.33Å; Q290-H293 PolarHBondContact O-N 3.3Å; Q290-E294 PolarHBondContact O-N 2.97Å; Q290-E294 VanDerWaalsContact O-N 3.17Å
291	E	90.7	Very high	89	Confident	76 Å²	76	68.3 Å²	68.3	36%	0.355	33%	0.334	S	S	.	.	H	α-helix	trans	-54.7	-41.3	175.5	-71.9	-159.8	-177.2	0	0	112.5	Q287 R288 H293 E294 Q295 K354	Q287-E291 PolarHBondContact O-N 3.07Å; R288-E291 PolarHBondContact O-N 2.66Å; E291-H293 VanDerWaalsContact C-N 3.35Å; E291-E294 PolarHBondContact O-N 3.29Å; E291-Q295 WeakPolarHBondContact O-CG 3.49Å; E291-Q295 PolarHBondContact O-N 2.91Å; E291-Q295 VanDerWaalsContact O-N 3.07Å; E291-K354 IonicContact OE1-NZ 2.92Å; E291-K354 PolarHBondContact OE1-NZ 3.37Å; E291-K354 IonicContact OE2-NZ 2.67Å; E291-K354 PolarHBondContact OE2-NZ 3.38Å
292	L	88.8	Confident	88.6	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-75.9	-21.8	179	-66.8	-176	0	0	0	113.3	R288 Q290 R296 L357 L362 E365 I369	R288-L292 HydrophobicContact CG-CD1 4.48Å; R288-L292 HydrophobicContact CG-CG 4.28Å; R288-L292 WeakPolarHBondContact O-CB 3.41Å; R288-L292 VanDerWaalsContact O-CG 3.28Å; R288-L292 WeakPolarHBondContact O-CG 3.48Å; R288-L292 PolarHBondContact O-N 3.43Å; Q290-L292 VanDerWaalsContact C-N 3.26Å; Q290-L292 PolarHBondContact O-N 3.45Å; L292-R296 VanDerWaalsContact O-CB 3.24Å; L292-R296 WeakPolarHBondContact O-CB 3.2Å; L292-R296 PolarHBondContact O-N 3.32Å; L292-L357 HydrophobicContact CD2-CD1 3.6Å; L292-L362 HydrophobicContact CB-CD1 3.92Å; L292-L362 HydrophobicContact CD1-CD1 4.41Å; L292-L362 HydrophobicContact CD2-CD1 3.9Å; L292-L362 HydrophobicContact CG-CD1 4.29Å; L292-E365 HydrophobicContact CD1-CB 3.53Å; L292-I369 HydrophobicContact CD1-CD1 3.53Å; L292-I369 HydrophobicContact CG-CD1 4.46Å
293	H	88.8	Confident	87.9	Confident	118 Å²	118	70.3 Å²	70.3	55%	0.546	35%	0.354	S	S	.	.	H	α-helix	trans	-67.1	-45.5	170.3	-168.9	81.3	0	0	0	110.5	E289 Q290 E291 R296 I297	E289-H293 WeakPolarHBondContact O-CB 3.47Å; E289-H293 PolarHBondContact O-N 2.98Å; E289-H293 VanDerWaalsContact O-N 3.12Å; Q290-H293 WeakPolarHBondContact O-CB 3.33Å; Q290-H293 PolarHBondContact O-N 3.3Å; E291-H293 VanDerWaalsContact C-N 3.35Å; H293-R296 WeakPolarHBondContact O-CB 3.33Å; H293-R296 PolarHBondContact O-N 2.91Å; H293-I297 WeakPolarHBondContact O-CG1 3.41Å; H293-I297 PolarHBondContact O-N 2.9Å
294	E	88.2	Confident	87.2	Confident	121 Å²	121	74.8 Å²	74.8	57%	0.565	36%	0.364	S	S	*	.	H	α-helix	trans	-62.2	-48.1	175.4	-65.1	179.5	178.9	0	0	111.9	Q290 E291 R296 I297 Q298	Q290-E294 PolarHBondContact O-N 2.97Å; Q290-E294 VanDerWaalsContact O-N 3.17Å; E291-E294 PolarHBondContact O-N 3.29Å; E294-R296 VanDerWaalsContact C-N 3.28Å; E294-R296 PolarHBondContact O-N 3.23Å; E294-I297 WeakPolarHBondContact O-CB 3.36Å; E294-I297 PolarHBondContact O-N 2.59Å; E294-Q298 WeakPolarHBondContact O-CG 3.05Å; E294-Q298 PolarHBondContact O-N 3.46Å
295	Q	86.9	Confident	85.9	Confident	23 Å²	23	78.1 Å²	78.1	11%	0.107	38%	0.377	C	S	.	.	H	α-helix	trans	-61.1	-35.6	175.4	-70.5	-179.2	49	0	0	112.4	E291 I297 Q298 L299	E291-Q295 WeakPolarHBondContact O-CG 3.49Å; E291-Q295 PolarHBondContact O-N 2.91Å; E291-Q295 VanDerWaalsContact O-N 3.07Å; Q295-I297 VanDerWaalsContact C-N 3.34Å; Q295-Q298 PolarHBondContact O-N 3.34Å; Q295-L299 WeakPolarHBondContact O-CB 3.47Å; Q295-L299 PolarHBondContact O-N 2.93Å
296	R	86.4	Confident	84.2	Confident	105 Å²	105	80.8 Å²	80.8	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-37.5	173.3	-176.6	172.7	-71.2	163.7	6.4	111.7	L292 H293 E294 L300 L362 T366	L292-R296 VanDerWaalsContact O-CB 3.24Å; L292-R296 WeakPolarHBondContact O-CB 3.2Å; L292-R296 PolarHBondContact O-N 3.32Å; H293-R296 WeakPolarHBondContact O-CB 3.33Å; H293-R296 PolarHBondContact O-N 2.91Å; E294-R296 VanDerWaalsContact C-N 3.28Å; E294-R296 PolarHBondContact O-N 3.23Å; R296-L300 HydrophobicContact CG-CD1 4Å; R296-L300 VanDerWaalsContact O-CB 3.3Å; R296-L300 WeakPolarHBondContact O-CB 3.02Å; R296-L300 WeakPolarHBondContact O-CD1 3.42Å; R296-L300 WeakPolarHBondContact O-CG 3.14Å; R296-L300 PolarHBondContact O-N 3.42Å; R296-L362 HydrophobicContact CB-CD2 4.03Å; R296-L362 HydrophobicContact CG-CD2 4.23Å; R296-T366 PolarHBondContact NH2-OG1 2.88Å
297	I	86.6	Confident	82.5	Confident	91 Å²	91	81.5 Å²	81.5	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.3	-68.5	163.7	0	0	0	110.4	H293 E294 Q295 L300 S301	H293-I297 WeakPolarHBondContact O-CG1 3.41Å; H293-I297 PolarHBondContact O-N 2.9Å; E294-I297 WeakPolarHBondContact O-CB 3.36Å; E294-I297 PolarHBondContact O-N 2.59Å; Q295-I297 VanDerWaalsContact C-N 3.34Å; I297-L300 CarbonylContact O-C 3.57Å; I297-L300 PolarHBondContact O-N 3.37Å; I297-S301 PolarHBondContact O-N 2.89Å; I297-S301 PolarHBondContact O-OG 2.99Å
298	Q	85.2	Confident	80.6	Confident	92 Å²	92	81.5 Å²	81.5	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-43	177.6	-67.4	170.8	5.5	0	0	112.6	E294 Q295 L300 S301 S302 I356	E294-Q298 WeakPolarHBondContact O-CG 3.05Å; E294-Q298 PolarHBondContact O-N 3.46Å; Q295-Q298 PolarHBondContact O-N 3.34Å; Q298-L300 VanDerWaalsContact C-N 3.34Å; Q298-S301 PolarHBondContact O-N 2.91Å; Q298-S301 PolarHBondContact O-OG 3.06Å; Q298-S302 PolarHBondContact O-N 3.14Å; Q298-S302 PolarHBondContact O-OG 2.69Å; Q298-I356 HydrophobicContact CB-CD1 4.43Å
299	L	81.9	Confident	78.6	Confident	27 Å²	27	85.6 Å²	85.6	14%	0.141	43%	0.428	C	S	.	.	H	α-helix	trans	-68.5	-32.7	175.3	-178.4	139.5	0	0	0	112	Q295 S302 M303 I356 L357	Q295-L299 WeakPolarHBondContact O-CB 3.47Å; Q295-L299 PolarHBondContact O-N 2.93Å; L299-S302 PolarHBondContact O-OG 3.07Å; L299-M303 HydrophobicContact CD2-CE 3.61Å; L299-M303 HydrophobicContact CD2-SD 4.2Å; L299-M303 WeakPolarHBondContact O-CE 3.46Å; L299-M303 WeakPolarHBondContact O-CG 3.43Å; L299-M303 PolarHBondContact O-N 3.46Å; L299-I356 HydrophobicContact CB-CG2 4.04Å; L299-I356 HydrophobicContact CD1-CG2 4.15Å; L299-L357 VanDerWaalsContact CD1-O 3.27Å; L299-L357 WeakPolarHBondContact CD1-O 3.48Å
300	L	83.2	Confident	76.7	Confident	80 Å²	80	91.2 Å²	91.2	42%	0.419	45%	0.451	S	S	.	.	H	α-helix	trans	-71.9	-27.6	172.3	-75.6	168	0	0	0	113.2	R296 I297 Q298 M303 R304	R296-L300 HydrophobicContact CG-CD1 4Å; R296-L300 VanDerWaalsContact O-CB 3.3Å; R296-L300 WeakPolarHBondContact O-CB 3.02Å; R296-L300 WeakPolarHBondContact O-CD1 3.42Å; R296-L300 WeakPolarHBondContact O-CG 3.14Å; R296-L300 PolarHBondContact O-N 3.42Å; I297-L300 CarbonylContact O-C 3.57Å; I297-L300 PolarHBondContact O-N 3.37Å; Q298-L300 VanDerWaalsContact C-N 3.34Å; L300-M303 HydrophobicContact CD2-CE 3.87Å; L300-R304 VanDerWaalsContact O-CG 3.29Å; L300-R304 WeakPolarHBondContact O-CG 3.34Å; L300-R304 PolarHBondContact O-N 3.34Å
301	S	83.4	Confident	74.5	Confident	58 Å²	58	93.6 Å²	93.6	41%	0.406	46%	0.455	S	S	.	.	H	α-helix	trans	-80.2	-40.1	175.5	61.6	0	0	0	0	112.4	I297 Q298 M303 R304 L305	I297-S301 PolarHBondContact O-N 2.89Å; I297-S301 PolarHBondContact O-OG 2.99Å; Q298-S301 PolarHBondContact O-N 2.91Å; Q298-S301 PolarHBondContact O-OG 3.06Å; S301-M303 PolarHBondContact O-N 2.73Å; S301-R304 WeakPolarHBondContact O-CB 3.2Å; S301-R304 PolarHBondContact O-N 3.4Å; S301-L305 PolarHBondContact O-N 3.42Å; S301-L305 VanDerWaalsContact O-N 3.1Å
302	S	79.6	Confident	72.1	Confident	56 Å²	56	96.5 Å²	96.5	39%	0.392	47%	0.472	S	S	.	.	H	α-helix	trans	-62.1	-41.8	175.5	63.2	0	0	0	0	112.3	Q298 L299 R304 L305 S306	Q298-S302 PolarHBondContact O-N 3.14Å; Q298-S302 PolarHBondContact O-OG 2.69Å; L299-S302 PolarHBondContact O-OG 3.07Å; S302-R304 PolarHBondContact O-N 3.46Å; S302-L305 PolarHBondContact O-N 2.97Å; S302-S306 PolarHBondContact O-N 3.49Å; S302-S306 VanDerWaalsContact O-N 3.12Å; S302-S306 PolarHBondContact O-OG 3.07Å
303	M	76.2	Confident	69.7	Low	93 Å²	93	102.5 Å²	102.5	46%	0.458	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-22.9	173.3	-69.5	-171.1	-54.5	0	0	113.8	L299 L300 S301 S306 S307	L299-M303 HydrophobicContact CD2-CE 3.61Å; L299-M303 HydrophobicContact CD2-SD 4.2Å; L299-M303 WeakPolarHBondContact O-CE 3.46Å; L299-M303 WeakPolarHBondContact O-CG 3.43Å; L299-M303 PolarHBondContact O-N 3.46Å; L300-M303 HydrophobicContact CD2-CE 3.87Å; S301-M303 PolarHBondContact O-N 2.73Å; M303-S306 PolarHBondContact O-OG 2.77Å; M303-S307 WeakPolarHBondContact O-CB 3.43Å; M303-S307 PolarHBondContact O-N 2.9Å; M303-S307 PolarHBondContact O-OG 3.44Å
304	R	78.2	Confident	67.2	Low	172 Å²	172	107.5 Å²	107.5	65%	0.649	53%	0.526	S	S	*	.	H	α-helix	trans	-76	-44.7	173.5	-75.9	171.1	-172.9	-171.7	3.3	111.2	L300 S301 S302 S307 Q308	L300-R304 VanDerWaalsContact O-CG 3.29Å; L300-R304 WeakPolarHBondContact O-CG 3.34Å; L300-R304 PolarHBondContact O-N 3.34Å; S301-R304 WeakPolarHBondContact O-CB 3.2Å; S301-R304 PolarHBondContact O-N 3.4Å; S302-R304 PolarHBondContact O-N 3.46Å; R304-S307 CarbonylContact O-C 3.52Å; R304-S307 WeakPolarHBondContact O-CA 3.25Å; R304-S307 WeakPolarHBondContact O-CB 3.43Å; R304-S307 PolarHBondContact O-N 3.03Å; R304-Q308 PolarHBondContact O-N 3.48Å; R304-Q308 VanDerWaalsContact O-N 3.12Å
305	L	64.1	Low	64.7	Low	107 Å²	107	110.3 Å²	110.3	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-57.3	-51.2	176.6	-69.6	164	0	0	0	111	S301 S302 S307 Q308 D309	S301-L305 PolarHBondContact O-N 3.42Å; S301-L305 VanDerWaalsContact O-N 3.1Å; S302-L305 PolarHBondContact O-N 2.97Å; L305-S307 PolarHBondContact O-N 3.5Å; L305-Q308 PolarHBondContact O-N 2.84Å; L305-D309 PolarHBondContact O-N 3.32Å; L305-D309 VanDerWaalsContact O-N 3.16Å
306	S	58.6	Low	62.2	Low	65 Å²	65	115 Å²	115	46%	0.455	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-11.6	175.1	69.1	0	0	0	0	114.6	S302 M303	S302-S306 PolarHBondContact O-N 3.49Å; S302-S306 VanDerWaalsContact O-N 3.12Å; S302-S306 PolarHBondContact O-OG 3.07Å; M303-S306 PolarHBondContact O-OG 2.77Å
307	S	56.5	Low	59.6	Low	58 Å²	58	119 Å²	119	41%	0.406	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-2.8	173.9	-59.3	0	0	0	0	113.3	M303 R304 L305 R311	M303-S307 WeakPolarHBondContact O-CB 3.43Å; M303-S307 PolarHBondContact O-N 2.9Å; M303-S307 PolarHBondContact O-OG 3.44Å; R304-S307 CarbonylContact O-C 3.52Å; R304-S307 WeakPolarHBondContact O-CA 3.25Å; R304-S307 WeakPolarHBondContact O-CB 3.43Å; R304-S307 PolarHBondContact O-N 3.03Å; L305-S307 PolarHBondContact O-N 3.5Å; S307-R311 PolarHBondContact O-NE 3.01Å; S307-R311 PolarHBondContact O-NH2 2.99Å
308	Q	54.2	Low	57.3	Low	123 Å²	123	124.6 Å²	124.6	58%	0.575	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-45.5	173	-71.1	177.4	-91.7	0	0	110.3	R304 L305 K310 R311	R304-Q308 PolarHBondContact O-N 3.48Å; R304-Q308 VanDerWaalsContact O-N 3.12Å; L305-Q308 PolarHBondContact O-N 2.84Å; Q308-K310 PolarHBondContact O-N 3.23Å; Q308-K310 VanDerWaalsContact O-N 3.07Å; Q308-R311 PolarHBondContact O-N 3.3Å
309	D	50.7	Low	54.7	Low	136 Å²	136	128.7 Å²	128.7	73%	0.727	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-26.9	176.7	-61.8	-39.9	0	0	0	113.4	L305 R311	L305-D309 PolarHBondContact O-N 3.32Å; L305-D309 VanDerWaalsContact O-N 3.16Å; D309-R311 VanDerWaalsContact C-N 3.31Å; D309-R311 PolarHBondContact O-N 3.44Å
310	K	51.6	Low	52.5	Low	186 Å²	186	136.3 Å²	136.3	81%	0.809	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	12.4	176	-64.7	-166.1	176.3	-168.5	0	114.7	Q308	Q308-K310 PolarHBondContact O-N 3.23Å; Q308-K310 VanDerWaalsContact O-N 3.07Å
311	R	45.5	Very low	50.1	Low	171 Å²	171	143.4 Å²	143.4	65%	0.645	68%	0.681	S	S	*	*	S	Bend	trans	-127.8	89.2	175.9	-86.1	-177.8	-77.8	179.4	-2.8	111.7	S307 Q308 D309	S307-R311 PolarHBondContact O-NE 3.01Å; S307-R311 PolarHBondContact O-NH2 2.99Å; Q308-R311 PolarHBondContact O-N 3.3Å; D309-R311 VanDerWaalsContact C-N 3.31Å; D309-R311 PolarHBondContact O-N 3.44Å
312	N	38.8	Very low	47.7	Very low	137 Å²	137	150.8 Å²	150.8	73%	0.733	71%	0.706	S	S	*	*			trans	51.7	103.4	168.6	-76.2	-1.2	0	0	0	117	R314	N312-R314 PolarHBondContact O-N 3.33Å
313	P	38.6	Very low	45.6	Very low	133 Å²	133	153.8 Å²	153.8	86%	0.864	72%	0.724	S	S	*	*	S	Bend	trans	-73.5	56.3	157.1	34.1	-35.6	0	0	0	110.9
314	R	36.2	Very low	43.5	Very low	223 Å²	223	160.1 Å²	160.1	84%	0.842	74%	0.743	S	S	*	*			trans	-149.1	57.8	-179	-74.5	-162.6	176.2	-174	0.1	113.1	N312	N312-R314 PolarHBondContact O-N 3.33Å
315	E	37.3	Very low	41.2	Very low	180 Å²	180	156.7 Å²	156.7	84%	0.841	75%	0.746	S	S	*	*			trans	-150.4	124.5	151.1	-147.4	174.6	178.4	0	0	110.6
316	P	34.6	Very low	39.8	Very low	122 Å²	122	160.9 Å²	160.9	79%	0.792	76%	0.759	S	S	*	*			trans	-73	139.1	-179.5	-17.7	31.9	0	0	0	113.1	R318	P316-R318 PolarHBondContact O-N 3.02Å; P316-R318 VanDerWaalsContact O-N 3.14Å
317	Q	31.4	Very low	38.4	Very low	190 Å²	190	164.7 Å²	164.7	89%	0.888	78%	0.775	S	S	*	*			trans	-20.4	102.4	167.8	-61.4	173	-3.3	0	0	116	M319	Q317-M319 PolarHBondContact O-N 2.85Å
318	R	37.9	Very low	37.3	Very low	208 Å²	208	169.4 Å²	169.4	79%	0.785	80%	0.795	S	S	*	*			trans	-90.6	95.2	160.4	-107.1	-179.1	172.7	-176.8	-0.7	110.4	P316 Y320	P316-R318 PolarHBondContact O-N 3.02Å; P316-R318 VanDerWaalsContact O-N 3.14Å; R318-Y320 HydrophobicContact CB-CD2 4.22Å; R318-Y320 HydrophobicContact CB-CE2 4.34Å; R318-Y320 HydrophobicContact CG-CE2 4.21Å; R318-Y320 PolarHBondContact O-N 3.32Å; R318-Y320 VanDerWaalsContact O-N 3.15Å
319	M	31.1	Very low	36.1	Very low	178 Å²	178	168.8 Å²	168.8	88%	0.877	81%	0.805	S	S	*	*			trans	-55.2	113.4	166.8	-86.3	-174.6	162.7	0	0	110.6	Q317	Q317-M319 PolarHBondContact O-N 2.85Å
320	Y	34.4	Very low	35.3	Very low	186 Å²	186	169.1 Å²	169.1	73%	0.729	81%	0.812	S	S	*	*			trans	-127.2	97	166.2	-89.6	-85.4	0	0	0	112	R318	R318-Y320 HydrophobicContact CB-CD2 4.22Å; R318-Y320 HydrophobicContact CB-CE2 4.34Å; R318-Y320 HydrophobicContact CG-CE2 4.21Å; R318-Y320 PolarHBondContact O-N 3.32Å; R318-Y320 VanDerWaalsContact O-N 3.15Å
321	R	33.9	Very low	34.2	Very low	230 Å²	230	164.8 Å²	164.8	87%	0.868	81%	0.805	S	S	*	*			trans	13.3	123	154	-63.9	177.1	176.3	171.4	-1.5	118.1
322	F	31.5	Very low	33.7	Very low	212 Å²	212	164.3 Å²	164.3	93%	0.93	82%	0.815	S	S	*	*			trans	-51.2	145.9	150.2	-75.7	-92.6	0	0	0	111.9
323	P	37.2	Very low	33.4	Very low	120 Å²	120	165.4 Å²	165.4	78%	0.779	82%	0.816	S	S	*	*			trans	-113.3	118.3	137.8	-7.1	27.3	0	0	0	112.3
324	R	32.5	Very low	33.1	Very low	226 Å²	226	165.7 Å²	165.7	85%	0.853	81%	0.805	S	S	*	*			trans	14.2	116.4	144.1	-71	176.2	174.9	173	-3.1	119
325	S	29.2	Very low	32.9	Very low	100 Å²	100	163.7 Å²	163.7	70%	0.699	80%	0.803	S	S	*	*				22	120.2	122.4	60.3	0	0	0	0	118.6
326	F	33.7	Very low	32.6	Very low	194 Å²	194	163.5 Å²	163.5	85%	0.851	80%	0.8	S	S	*	*			trans	-127.9	110.2	143.3	-106	-86.6	0	0	0	109.6
327	N	30.2	Very low	32.6	Very low	146 Å²	146	163.5 Å²	163.5	78%	0.781	80%	0.8	S	S	*	*			trans	-67.2	142.9	153	-70.2	-17.1	0	0	0	107.2
328	N	32.3	Very low	32.6	Very low	156 Å²	156	161.6 Å²	161.6	83%	0.834	80%	0.796	S	S	*	*			trans	-148.7	111.2	142.6	-110.6	-14.7	0	0	0	109.1
329	S	28.6	Very low	32.4	Very low	111 Å²	111	155.5 Å²	155.5	78%	0.776	80%	0.797	S	S	*	*			trans	-78.9	128.2	170.9	49.1	0	0	0	0	109.8
330	T	33.9	Very low	32.3	Very low	143 Å²	143	154.4 Å²	154.4	88%	0.877	79%	0.793	S	S	*	*			trans	-120.6	128.9	146.6	38.3	0	0	0	0	108.1
331	S	29.7	Very low	32.3	Very low	95 Å²	95	154.1 Å²	154.1	66%	0.664	80%	0.799	S	S	*	*			trans	-72.4	152	172.9	49.9	0	0	0	0	110.7
332	D	34.2	Very low	32.1	Very low	161 Å²	161	150.5 Å²	150.5	86%	0.861	80%	0.797	S	S	*	*				-145.3	153.2	124	-106.2	-34.4	0	0	0	111.1
333	Q	33.1	Very low	32.4	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.743	79%	0.791	S	S	*	*			trans	-96.5	176.6	-175.1	-56.1	166.8	-14.1	0	0	108.5
334	H	32.6	Very low	32.3	Very low	139 Å²	139	150.1 Å²	150.1	64%	0.644	79%	0.793	S	S	*	*			cis	-163.5	178.8	24.1	-149.8	-84.1	0	0	0	110
335	F	31.5	Very low	32.1	Very low	182 Å²	182	146.9 Å²	146.9	80%	0.798	79%	0.793	S	S	*	*			trans	81	113.7	168.1	-68.3	-77.4	0	0	0	121.6
336	K	30.5	Very low	32.3	Very low	175 Å²	175	148.9 Å²	148.9	76%	0.761	79%	0.794	S	S	*	*			trans	-110.7	167.2	144.1	-72.1	-179.3	174.4	179.1	0	108.4
337	P	36.2	Very low	32.3	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	79%	0.792	S	S	*	*				-126.6	138.1	97.2	4.8	16.8	0	0	0	111.5
338	N	31.5	Very low	32.3	Very low	150 Å²	150	147 Å²	147	80%	0.802	79%	0.79	S	S	*	*				66.5	102.4	77.2	-72.5	8.6	0	0	0	114.3
339	G	32.8	Very low	32.1	Very low	79 Å²	79	144.5 Å²	144.5	81%	0.814	78%	0.781	S	S	*	*			trans	-157.3	125.2	163.5	0	0	0	0	0	107.4
340	I	29.8	Very low	32.2	Very low	155 Å²	155	146.4 Å²	146.4	80%	0.795	79%	0.788	S	S	*	*			trans	-105.2	126.9	-172	-62.6	168.6	0	0	0	108.8
341	E	34.5	Very low	32.1	Very low	181 Å²	181	146 Å²	146	85%	0.846	78%	0.78	S	S	*	*			trans	-153.3	136.6	154.1	-131.6	168.8	-138.3	0	0	112.2
342	N	29.3	Very low	32.5	Very low	154 Å²	154	147.1 Å²	147.1	82%	0.824	77%	0.773	S	S	*	*			trans	-96.9	96.4	-171.4	-72.4	-54.9	0	0	0	111.3
343	V	36.8	Very low	33.3	Very low	134 Å²	134	146.2 Å²	146.2	81%	0.812	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-102	122.9	170	-175.7	0	0	0	0	110.2
344	K	35.8	Very low	34.7	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68.1	152.1	-171.3	-68.5	171.5	178.4	173.2	0	113	I346	K344-I346 PolarHBondContact O-N 2.91Å
345	N	28.9	Very low	36.5	Very low	157 Å²	157	143 Å²	143	84%	0.84	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-49.7	119.5	178	-66.9	-37.4	0	0	0	113.3
346	I	32.3	Very low	38.6	Very low	142 Å²	142	138.5 Å²	138.5	73%	0.728	75%	0.749	S	S	*	*			trans	-126.1	89.4	155.2	-57	-178	0	0	0	107.6	K344 K348	K344-I346 PolarHBondContact O-N 2.91Å; I346-K348 HydrophobicContact CG2-CG 4.17Å; I346-K348 PolarHBondContact O-N 3.48Å
347	V	33.5	Very low	41	Very low	132 Å²	132	131.6 Å²	131.6	80%	0.8	72%	0.721	S	S	*	*			trans	-70.9	95.3	172.7	179.8	0	0	0	0	108.3
348	K	30.1	Very low	43.2	Very low	170 Å²	170	128.2 Å²	128.2	74%	0.739	70%	0.7	S	S	*	*			trans	-73.1	133.5	169.1	-67.3	-175.6	179.2	178.2	0	108.8	I346 V350	I346-K348 HydrophobicContact CG2-CG 4.17Å; I346-K348 PolarHBondContact O-N 3.48Å; K348-V350 PolarHBondContact O-N 3.15Å
349	P	29.6	Very low	45.7	Very low	102 Å²	102	124.2 Å²	124.2	66%	0.662	69%	0.688	S	S	*	*			trans	-66	133.4	-176.2	26	-34.2	0	0	0	111.4	N351	P349-N351 VanDerWaalsContact C-N 3.3Å; P349-N351 PolarHBondContact O-N 2.86Å
350	V	30.2	Very low	48.3	Very low	151 Å²	151	130 Å²	130	92%	0.915	69%	0.685	S	S	*	*			trans	-73.8	82.9	176.8	-177.7	0	0	0	0	109.2	K348	K348-V350 PolarHBondContact O-N 3.15Å
351	N	31	Very low	51.1	Low	134 Å²	134	126.7 Å²	126.7	72%	0.717	67%	0.666	S	S	*	*			trans	-130	92.9	-171.4	-108.5	-25.2	0	0	0	112.8	P349	P349-N351 VanDerWaalsContact C-N 3.3Å; P349-N351 PolarHBondContact O-N 2.86Å
352	K	38.4	Very low	53.6	Low	119 Å²	119	118.6 Å²	118.6	52%	0.517	63%	0.628	S	S	.	*			trans	159.2	90.5	148	-89.2	168.7	-171.6	-167.6	0	108.3	P16 F17 S18 K354	P16-K352 PolarHBondContact O-NZ 3.47Å; F17-K352 VanDerWaalsContact C-NZ 3.32Å; F17-K352 PolarHBondContact O-NZ 2.89Å; S18-K352 WeakPolarHBondContact OG-CE 3.34Å; S18-K352 PolarHBondContact OG-NZ 3Å; K352-K354 PolarHBondContact O-N 3.24Å
353	T	51.6	Low	56.4	Low	142 Å²	142	117 Å²	117	87%	0.871	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-58.5	124.3	166.3	33.7	0	0	0	0	109.1
354	K	61.7	Low	58.9	Low	132 Å²	132	119.1 Å²	119.1	57%	0.574	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.4	127.4	170.4	-72	175.5	177.5	169.3	0	107.2	E291 K352 I356	E291-K354 IonicContact OE1-NZ 2.92Å; E291-K354 PolarHBondContact OE1-NZ 3.37Å; E291-K354 IonicContact OE2-NZ 2.67Å; E291-K354 PolarHBondContact OE2-NZ 3.38Å; K352-K354 PolarHBondContact O-N 3.24Å; K354-I356 PolarHBondContact O-N 2.86Å
355	P	71.6	Confident	61.5	Low	98 Å²	98	111.7 Å²	111.7	64%	0.636	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.4	177.9	26	-33.6	0	0	0	109.6	L357	P355-L357 PolarHBondContact O-N 3.04Å
356	I	73.9	Confident	64.4	Low	88 Å²	88	106 Å²	106	45%	0.451	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-62.7	119.7	179.9	-59.5	174.7	0	0	0	108.4	Q298 L299 K354	Q298-I356 HydrophobicContact CB-CD1 4.43Å; L299-I356 HydrophobicContact CB-CG2 4.04Å; L299-I356 HydrophobicContact CD1-CG2 4.15Å; K354-I356 PolarHBondContact O-N 2.86Å
357	L	81.4	Confident	67.2	Low	31 Å²	31	101.7 Å²	101.7	16%	0.162	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-60.3	139.3	-179.6	-67.8	174.9	0	0	0	111.6	L292 L299 P355 E361 L362 E365	L292-L357 HydrophobicContact CD2-CD1 3.6Å; L299-L357 VanDerWaalsContact CD1-O 3.27Å; L299-L357 WeakPolarHBondContact CD1-O 3.48Å; P355-L357 PolarHBondContact O-N 3.04Å; L357-E361 HydrophobicContact CB-CB 4.16Å; L357-E361 HydrophobicContact CD2-CB 4.07Å; L357-L362 HydrophobicContact CB-CB 4.46Å; L357-E365 HydrophobicContact CD1-CG 4.45Å
358	S	83.6	Confident	69.9	Low	52 Å²	52	98.5 Å²	98.5	36%	0.364	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-63.7	158.3	171.5	71.3	0	0	0	0	111.1	R360 E361 L362	S358-R360 PolarHBondContact O-N 3.43Å; S358-E361 WeakPolarHBondContact CB-OE2 3.23Å; S358-E361 PolarHBondContact N-OE2 3.13Å; S358-E361 PolarHBondContact O-N 3.48Å; S358-E361 WeakPolarHBondContact OG-CG 3.38Å; S358-E361 PolarHBondContact OG-N 3.31Å; S358-E361 PolarHBondContact OG-OE2 3.26Å; S358-L362 WeakPolarHBondContact O-CB 3.37Å; S358-L362 PolarHBondContact O-N 2.91Å
359	A	84.1	Confident	72.8	Confident	66 Å²	66	91 Å²	91	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-56.2	-28.6	178.7	0	0	0	0	0	113.7	Q363	A359-Q363 WeakPolarHBondContact O-CB 3.22Å; A359-Q363 PolarHBondContact O-N 3.18Å
360	R	86.8	Confident	75.8	Confident	200 Å²	200	86.8 Å²	86.8	76%	0.755	44%	0.443	S	S	*	.	H	α-helix	trans	-74.2	-41.5	175.5	-70.8	-177.6	176	177.1	-1.2	112.2	S358 Q363 R364	S358-R360 PolarHBondContact O-N 3.43Å; R360-Q363 PolarHBondContact O-N 3.26Å; R360-R364 WeakPolarHBondContact O-CG 3.34Å; R360-R364 PolarHBondContact O-N 2.03Å; R360-R364 VanDerWaalsContact O-N 3.07Å
361	E	88.9	Confident	78.7	Confident	86 Å²	86	81.7 Å²	81.7	40%	0.402	41%	0.409	S	S	.	.	H	α-helix	trans	-69.4	-46.5	177.2	-67.9	159.4	126.4	0	0	111	L357 S358 Q363 R364 E365	L357-E361 HydrophobicContact CB-CB 4.16Å; L357-E361 HydrophobicContact CD2-CB 4.07Å; S358-E361 WeakPolarHBondContact CB-OE2 3.23Å; S358-E361 PolarHBondContact N-OE2 3.13Å; S358-E361 PolarHBondContact O-N 3.48Å; S358-E361 WeakPolarHBondContact OG-CG 3.38Å; S358-E361 PolarHBondContact OG-N 3.31Å; S358-E361 PolarHBondContact OG-OE2 3.26Å; E361-Q363 PolarHBondContact O-N 3.07Å; E361-R364 WeakPolarHBondContact O-CB 3.27Å; E361-R364 PolarHBondContact O-N 2.95Å; E361-E365 PolarHBondContact O-N 3.41Å
362	L	85.7	Confident	81.5	Confident	10 Å²	10	76.7 Å²	76.7	5%	0.052	38%	0.383	C	S	.	.	H	α-helix	trans	-54.4	-38.6	173.8	-179	63	0	0	0	112	L292 R296 L357 S358 T366	L292-L362 HydrophobicContact CB-CD1 3.92Å; L292-L362 HydrophobicContact CD1-CD1 4.41Å; L292-L362 HydrophobicContact CD2-CD1 3.9Å; L292-L362 HydrophobicContact CG-CD1 4.29Å; R296-L362 HydrophobicContact CB-CD2 4.03Å; R296-L362 HydrophobicContact CG-CD2 4.23Å; L357-L362 HydrophobicContact CB-CB 4.46Å; S358-L362 WeakPolarHBondContact O-CB 3.37Å; S358-L362 PolarHBondContact O-N 2.91Å; L362-T366 WeakPolarHBondContact O-CB 3.46Å; L362-T366 PolarHBondContact O-N 3.45Å; L362-T366 PolarHBondContact O-OG1 2.92Å
363	Q	87.8	Confident	84.2	Confident	120 Å²	120	71.5 Å²	71.5	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-68.6	-43.6	174	-178.5	174.1	-18.1	0	0	112.4	A359 R360 E361 T366 L367	A359-Q363 WeakPolarHBondContact O-CB 3.22Å; A359-Q363 PolarHBondContact O-N 3.18Å; R360-Q363 PolarHBondContact O-N 3.26Å; E361-Q363 PolarHBondContact O-N 3.07Å; Q363-T366 PolarHBondContact O-N 2.87Å; Q363-L367 HydrophobicContact CG-CD1 4.31Å; Q363-L367 WeakPolarHBondContact O-CG 2.96Å; Q363-L367 PolarHBondContact O-N 3.18Å
364	R	90.1	Very high	86.2	Confident	180 Å²	180	64.7 Å²	64.7	68%	0.679	32%	0.319	S	S	*	.	H	α-helix	trans	-60.3	-47.6	176.7	-74	170.7	175.1	173.2	-3.8	111.7	R360 E361 L367 Q368	R360-R364 WeakPolarHBondContact O-CG 3.34Å; R360-R364 PolarHBondContact O-N 2.03Å; R360-R364 VanDerWaalsContact O-N 3.07Å; E361-R364 WeakPolarHBondContact O-CB 3.27Å; E361-R364 PolarHBondContact O-N 2.95Å; R364-L367 WeakPolarHBondContact O-CB 3.42Å; R364-L367 PolarHBondContact O-N 3.31Å; R364-Q368 PolarHBondContact O-N 3.48Å
365	E	89.5	Confident	87.7	Confident	33 Å²	33	61.5 Å²	61.5	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-38.2	178.4	-63.5	-158.7	-174.5	0	0	112.3	R288 L292 L357 E361 L367 Q368 I369	R288-E365 IonicContact CZ-OE1 3.84Å; R288-E365 IonicContact CZ-OE2 3.21Å; R288-E365 IonicContact NE-OE2 2.74Å; R288-E365 PolarHBondContact NE-OE2 3Å; R288-E365 IonicContact NH2-OE1 2.79Å; R288-E365 PolarHBondContact NH2-OE1 3.2Å; R288-E365 IonicContact NH2-OE2 2.87Å; R288-E365 PolarHBondContact NH2-OE2 3.38Å; L292-E365 HydrophobicContact CD1-CB 3.53Å; L357-E365 HydrophobicContact CD1-CG 4.45Å; E361-E365 PolarHBondContact O-N 3.41Å; E365-L367 VanDerWaalsContact C-N 3.27Å; E365-L367 PolarHBondContact O-N 2.96Å; E365-Q368 PolarHBondContact O-N 2.86Å; E365-I369 WeakPolarHBondContact O-CG1 3.43Å; E365-I369 PolarHBondContact O-N 3.28Å
366	T	91.1	Very high	88.7	Confident	37 Å²	37	57 Å²	57	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-42	172.8	-57.6	0	0	0	0	111.1	R296 L362 Q363 I370	R296-T366 PolarHBondContact NH2-OG1 2.88Å; L362-T366 WeakPolarHBondContact O-CB 3.46Å; L362-T366 PolarHBondContact O-N 3.45Å; L362-T366 PolarHBondContact O-OG1 2.92Å; Q363-T366 PolarHBondContact O-N 2.87Å; T366-I370 HydrophobicContact CG2-CD1 3.95Å; T366-I370 WeakPolarHBondContact O-CD1 3.43Å; T366-I370 VanDerWaalsContact O-CG1 3.27Å; T366-I370 WeakPolarHBondContact O-CG1 3.08Å; T366-I370 PolarHBondContact O-N 3.37Å; T366-I370 VanDerWaalsContact O-N 3.1Å
367	L	91.4	Very high	89.7	Confident	53 Å²	53	54.4 Å²	54.4	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-43	177.8	-69.7	168.1	0	0	0	112.1	Q363 R364 E365 I369 I370 Q371 L481	Q363-L367 HydrophobicContact CG-CD1 4.31Å; Q363-L367 WeakPolarHBondContact O-CG 2.96Å; Q363-L367 PolarHBondContact O-N 3.18Å; R364-L367 WeakPolarHBondContact O-CB 3.42Å; R364-L367 PolarHBondContact O-N 3.31Å; E365-L367 VanDerWaalsContact C-N 3.27Å; E365-L367 PolarHBondContact O-N 2.96Å; L367-I369 PolarHBondContact O-N 3.14Å; L367-I370 PolarHBondContact O-N 3.3Å; L367-Q371 WeakPolarHBondContact O-CG 3.02Å; L367-Q371 PolarHBondContact O-N 3Å; L367-L481 HydrophobicContact CD2-CD1 4.04Å; L367-L481 HydrophobicContact CD2-CD2 3.56Å; L367-L481 HydrophobicContact CD2-CG 4.35Å
368	Q	89.6	Confident	90.4	Very high	64 Å²	64	53 Å²	53	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-43.2	177.1	-174.1	173.7	4.4	0	0	111.8	C24 R364 E365 Q371 T372	C24-Q368 PolarHBondContact SG-NE2 2.87Å; C24-Q368 VanDerWaalsContact SG-NE2 3.42Å; R364-Q368 PolarHBondContact O-N 3.48Å; E365-Q368 PolarHBondContact O-N 2.86Å; Q368-Q371 PolarHBondContact O-N 3.17Å; Q368-T372 PolarHBondContact O-N 2.61Å; Q368-T372 PolarHBondContact O-OG1 3.14Å
369	I	90.7	Very high	90.9	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-46.8	174.2	-72.7	163.5	0	0	0	111.1	A285 R288 E289 L292 E365 L367 Q371 T372 K373	A285-I369 HydrophobicContact CB-CG2 4.36Å; A285-I369 WeakPolarHBondContact O-CG2 3.39Å; R288-I369 HydrophobicContact CB-CD1 4.02Å; R288-I369 HydrophobicContact CG-CD1 4.09Å; E289-I369 HydrophobicContact CB-CG2 4.09Å; E289-I369 HydrophobicContact CG-CG2 4.38Å; L292-I369 HydrophobicContact CD1-CD1 3.53Å; L292-I369 HydrophobicContact CG-CD1 4.46Å; E365-I369 WeakPolarHBondContact O-CG1 3.43Å; E365-I369 PolarHBondContact O-N 3.28Å; L367-I369 PolarHBondContact O-N 3.14Å; I369-Q371 VanDerWaalsContact C-N 3.32Å; I369-Q371 PolarHBondContact O-N 2.81Å; I369-T372 PolarHBondContact O-N 2.03Å; I369-K373 HydrophobicContact CG2-CD 3.84Å; I369-K373 HydrophobicContact CG2-CG 4.4Å; I369-K373 WeakPolarHBondContact O-CB 3.33Å; I369-K373 WeakPolarHBondContact O-CG 3.09Å; I369-K373 PolarHBondContact O-N 3.23Å
370	I	92	Very high	91.5	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.077	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-40.6	178.5	-72	167.9	0	0	0	111.3	T366 L367 A374 Y438 P440 W480 L481	T366-I370 HydrophobicContact CG2-CD1 3.95Å; T366-I370 WeakPolarHBondContact O-CD1 3.43Å; T366-I370 VanDerWaalsContact O-CG1 3.27Å; T366-I370 WeakPolarHBondContact O-CG1 3.08Å; T366-I370 PolarHBondContact O-N 3.37Å; T366-I370 VanDerWaalsContact O-N 3.1Å; L367-I370 PolarHBondContact O-N 3.3Å; I370-A374 VanDerWaalsContact O-CB 3.31Å; I370-A374 WeakPolarHBondContact O-CB 3.24Å; I370-A374 PolarHBondContact O-N 3.32Å; I370-Y438 HydrophobicContact CG2-CD1 3.94Å; I370-Y438 HydrophobicContact CG2-CE1 4Å; I370-P440 HydrophobicContact CD1-CB 4.49Å; I370-P440 HydrophobicContact CD1-CG 3.95Å; I370-P440 HydrophobicContact CG1-CB 4.31Å; I370-P440 HydrophobicContact CG1-CG 3.91Å; I370-P440 HydrophobicContact CG2-CG 3.96Å; I370-W480 HydrophobicContact CG2-CH2 3.81Å; I370-W480 HydrophobicContact CG2-CZ2 3.89Å; I370-L481 HydrophobicContact CD1-CD2 4.03Å; I370-L481 HydrophobicContact CG2-CD1 4.06Å; I370-L481 HydrophobicContact CG2-CD2 4.02Å; I370-L481 HydrophobicContact CG2-CG 4.21Å
371	Q	91.2	Very high	91.9	Very high	43 Å²	43	41.6 Å²	41.6	20%	0.201	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-45.8	175.3	-73	168.2	-12.8	0	0	112.1	L367 Q368 I369 A374 R375 R478	L367-Q371 WeakPolarHBondContact O-CG 3.02Å; L367-Q371 PolarHBondContact O-N 3Å; Q368-Q371 PolarHBondContact O-N 3.17Å; I369-Q371 VanDerWaalsContact C-N 3.32Å; I369-Q371 PolarHBondContact O-N 2.81Å; Q371-A374 PolarHBondContact O-N 2.77Å; Q371-R375 WeakPolarHBondContact O-CB 3.39Å; Q371-R375 PolarHBondContact O-N 3.18Å; Q371-R478 PolarHBondContact NE2-O 3.21Å
372	T	90.9	Very high	92.3	Very high	30 Å²	30	37.5 Å²	37.5	18%	0.184	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-43.5	177.7	-61.3	0	0	0	0	112.1	H281 A285 Q368 I369 R375 T376	H281-T372 HydrophobicContact CB-CG2 4.38Å; A285-T372 HydrophobicContact CB-CG2 4.03Å; Q368-T372 PolarHBondContact O-N 2.61Å; Q368-T372 PolarHBondContact O-OG1 3.14Å; I369-T372 PolarHBondContact O-N 2.03Å; T372-R375 PolarHBondContact O-N 2.89Å; T372-T376 HydrophobicContact CG2-CG2 4.36Å; T372-T376 WeakPolarHBondContact O-CB 3.3Å; T372-T376 WeakPolarHBondContact O-CG2 3.38Å; T372-T376 PolarHBondContact O-N 3.16Å; T372-T376 PolarHBondContact O-OG1 3.46Å
373	K	93.7	Very high	92.9	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-40.2	176.2	-67.8	176.9	71.9	-170.7	0	111.7	A285 V286 E289 I369 T376 L377 Y438 D443	A285-K373 HydrophobicContact CB-CD 4.44Å; A285-K373 HydrophobicContact CB-CG 3.82Å; V286-K373 HydrophobicContact CG2-CD 4.28Å; E289-K373 IonicContact OE1-NZ 3.78Å; E289-K373 IonicContact OE2-NZ 2.65Å; E289-K373 PolarHBondContact OE2-NZ 3.29Å; I369-K373 HydrophobicContact CG2-CD 3.84Å; I369-K373 HydrophobicContact CG2-CG 4.4Å; I369-K373 WeakPolarHBondContact O-CB 3.33Å; I369-K373 WeakPolarHBondContact O-CG 3.09Å; I369-K373 PolarHBondContact O-N 3.23Å; K373-T376 PolarHBondContact O-OG1 3.27Å; K373-L377 WeakPolarHBondContact O-CB 3.28Å; K373-L377 WeakPolarHBondContact O-CD1 3.37Å; K373-L377 VanDerWaalsContact O-CG 3.25Å; K373-L377 WeakPolarHBondContact O-CG 3.48Å; K373-L377 PolarHBondContact O-N 3.08Å; K373-Y438 HydrophobicContact CB-CE1 3.96Å; K373-Y438 HydrophobicContact CB-CE2 4.39Å; K373-Y438 WeakPolarHBondContact CB-OH 3.17Å; K373-Y438 WeakPolarHBondContact CE-OH 3.44Å; K373-Y438 PolarHBondContact NZ-OH 3.04Å; K373-D443 WeakPolarHBondContact CE-OD1 3.23Å; K373-D443 IonicContact NZ-OD1 3.42Å; K373-D443 PolarHBondContact NZ-OD1 2.93Å
374	A	94.3	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-52.1	174	0	0	0	0	0	112.1	I370 Q371 L377 M378 Y438 W480 L528	I370-A374 VanDerWaalsContact O-CB 3.31Å; I370-A374 WeakPolarHBondContact O-CB 3.24Å; I370-A374 PolarHBondContact O-N 3.32Å; Q371-A374 PolarHBondContact O-N 2.77Å; A374-L377 PolarHBondContact O-N 2.05Å; A374-M378 PolarHBondContact O-N 3.45Å; A374-Y438 VanDerWaalsContact CB-CB 3.5Å; A374-Y438 HydrophobicContact CB-CD1 3.71Å; A374-Y438 HydrophobicContact CB-CG 3.7Å; A374-W480 HydrophobicContact CB-CH2 4.23Å; A374-W480 HydrophobicContact CB-CZ2 3.76Å; A374-L528 HydrophobicContact CB-CD1 3.78Å; A374-L528 HydrophobicContact CB-CD2 4.09Å
375	R	93.3	Very high	93.7	Very high	64 Å²	64	28.5 Å²	28.5	24%	0.242	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-46.7	-176.7	-171.9	-168.1	-64.1	168.2	-6.9	112.2	Q203 Q371 T372 L377 M378 N379	Q203-R375 PolarHBondContact O-NE 3.43Å; Q203-R375 PolarHBondContact O-NH2 3.22Å; Q371-R375 WeakPolarHBondContact O-CB 3.39Å; Q371-R375 PolarHBondContact O-N 3.18Å; T372-R375 PolarHBondContact O-N 2.89Å; R375-L377 PolarHBondContact O-N 2.86Å; R375-M378 WeakPolarHBondContact O-CB 3.23Å; R375-M378 PolarHBondContact O-N 3.45Å; R375-N379 VanDerWaalsContact O-CG 3.32Å; R375-N379 PolarHBondContact O-N 2.54Å
376	T	93.4	Very high	94.1	Very high	5 Å²	5	27 Å²	27	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-41	177.9	48.6	0	0	0	0	111.8	D278 H281 R282 T372 K373 M378 N379 L380	D278-T376 HydrophobicContact CB-CG2 4.21Å; D278-T376 WeakPolarHBondContact O-CG2 3.34Å; H281-T376 HydrophobicContact CB-CG2 3.83Å; R282-T376 HydrophobicContact CB-CG2 4.36Å; T372-T376 HydrophobicContact CG2-CG2 4.36Å; T372-T376 WeakPolarHBondContact O-CB 3.3Å; T372-T376 WeakPolarHBondContact O-CG2 3.38Å; T372-T376 PolarHBondContact O-N 3.16Å; T372-T376 PolarHBondContact O-OG1 3.46Å; K373-T376 PolarHBondContact O-OG1 3.27Å; T376-M378 PolarHBondContact O-N 2.8Å; T376-N379 PolarHBondContact O-N 2.93Å; T376-L380 VanDerWaalsContact O-CB 3.32Å; T376-L380 WeakPolarHBondContact O-CB 3.48Å; T376-L380 WeakPolarHBondContact O-CD1 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.32Å; T376-L380 PolarHBondContact O-N 3.3Å
377	L	94.8	Very high	94.4	Very high	33 Å²	33	25.6 Å²	25.6	17%	0.173	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-39	173.3	-71.9	171.9	0	0	0	112.8	K373 A374 R375 H381 Y438 D443 L445	K373-L377 WeakPolarHBondContact O-CB 3.28Å; K373-L377 WeakPolarHBondContact O-CD1 3.37Å; K373-L377 VanDerWaalsContact O-CG 3.25Å; K373-L377 WeakPolarHBondContact O-CG 3.48Å; K373-L377 PolarHBondContact O-N 3.08Å; A374-L377 PolarHBondContact O-N 2.05Å; R375-L377 PolarHBondContact O-N 2.86Å; L377-H381 WeakPolarHBondContact O-CB 3.35Å; L377-H381 PolarHBondContact O-N 3.41Å; L377-Y438 HydrophobicContact CD1-CD2 3.77Å; L377-Y438 HydrophobicContact CD1-CE2 3.55Å; L377-D443 WeakPolarHBondContact CD1-O 3.09Å; L377-L445 HydrophobicContact CB-CD1 4.24Å; L377-L445 HydrophobicContact CB-CD2 4.2Å; L377-L445 HydrophobicContact CB-CG 4.1Å
378	M	95.4	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-51.1	174.8	-175.1	-163.5	80.6	0	0	110.8	T209 A374 R375 T376 L380 H381 N382 L445 V526 L528	T209-M378 HydrophobicContact CG2-CE 4.09Å; A374-M378 PolarHBondContact O-N 3.45Å; R375-M378 WeakPolarHBondContact O-CB 3.23Å; R375-M378 PolarHBondContact O-N 3.45Å; T376-M378 PolarHBondContact O-N 2.8Å; M378-L380 PolarHBondContact O-N 3.02Å; M378-H381 PolarHBondContact O-N 3.43Å; M378-N382 PolarHBondContact O-N 2.86Å; M378-N382 PolarHBondContact O-ND2 2.96Å; M378-N382 VanDerWaalsContact O-ND2 3.15Å; M378-L445 HydrophobicContact CB-CD1 4.48Å; M378-V526 HydrophobicContact CG-CG2 4.12Å; M378-V526 WeakPolarHBondContact CG-O 3.42Å; M378-L528 HydrophobicContact CB-CD1 3.95Å; M378-L528 HydrophobicContact CB-CG 4.38Å; M378-L528 HydrophobicContact CG-CD1 4.35Å; M378-L528 HydrophobicContact CG-CG 4.41Å; M378-L528 HydrophobicContact SD-CB 4.31Å; M378-L528 HydrophobicContact SD-CD1 3.81Å; M378-L528 HydrophobicContact SD-CG 3.91Å
379	N	94.6	Very high	95	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-57.8	-50	177.2	-72.6	-7.7	0	0	0	112	D278 R375 T376 H381 N382 K383	D278-N379 VanDerWaalsContact OD1-CB 3.28Å; D278-N379 WeakPolarHBondContact OD1-CB 3.34Å; D278-N379 PolarHBondContact OD1-ND2 2.69Å; R375-N379 VanDerWaalsContact O-CG 3.32Å; R375-N379 PolarHBondContact O-N 2.54Å; T376-N379 PolarHBondContact O-N 2.93Å; N379-H381 VanDerWaalsContact C-N 3.31Å; N379-H381 PolarHBondContact O-N 3.16Å; N379-N382 PolarHBondContact O-N 2.76Å; N379-K383 WeakPolarHBondContact O-CB 3.28Å; N379-K383 VanDerWaalsContact O-CG 3.29Å; N379-K383 WeakPolarHBondContact O-CG 3.41Å; N379-K383 PolarHBondContact O-N 2.88Å
380	L	95.4	Very high	95.3	Very high	28 Å²	28	23.5 Å²	23.5	15%	0.147	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-38	179	-72.8	169	0	0	0	112.2	D275 D278 E279 T376 M378 K384	D275-L380 HydrophobicContact CB-CD2 3.46Å; D275-L380 VanDerWaalsContact CB-CD2 3.46Å; D278-L380 HydrophobicContact CB-CD1 4.1Å; D278-L380 HydrophobicContact CB-CD2 3.79Å; D278-L380 HydrophobicContact CB-CG 3.69Å; E279-L380 HydrophobicContact CG-CD2 4.46Å; T376-L380 VanDerWaalsContact O-CB 3.32Å; T376-L380 WeakPolarHBondContact O-CB 3.48Å; T376-L380 WeakPolarHBondContact O-CD1 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.32Å; T376-L380 PolarHBondContact O-N 3.3Å; M378-L380 PolarHBondContact O-N 3.02Å; L380-K384 WeakPolarHBondContact O-CB 3.15Å; L380-K384 PolarHBondContact O-N 3.33Å
381	H	96.6	Very high	95.4	Very high	35 Å²	35	25.5 Å²	25.5	16%	0.162	11%	0.114	C	C	.	.	H	α-helix	trans	-66.8	-48.3	174.2	178.3	90.6	0	0	0	111.8	L377 M378 N379 K384 A385 Q524 V526	L377-H381 WeakPolarHBondContact O-CB 3.35Å; L377-H381 PolarHBondContact O-N 3.41Å; M378-H381 PolarHBondContact O-N 3.43Å; N379-H381 VanDerWaalsContact C-N 3.31Å; N379-H381 PolarHBondContact O-N 3.16Å; H381-K384 CarbonylContact O-C 3.2Å; H381-K384 WeakPolarHBondContact O-CB 3.43Å; H381-K384 PolarHBondContact O-N 2.8Å; H381-A385 PolarHBondContact O-N 3.46Å; H381-Q524 PolarHBondContact NE2-O 3.07Å; H381-V526 HydrophobicContact CB-CG2 4.3Å
382	N	97.7	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-46.9	-177.4	-69.2	-32.4	0	0	0	112.2	A210 S213 S214 M378 N379 K384 A385 G386 L525 V526	A210-N382 WeakPolarHBondContact CA-ND2 3.31Å; A210-N382 WeakPolarHBondContact CB-ND2 3.42Å; S213-N382 WeakPolarHBondContact OG-CB 3.1Å; S214-N382 WeakPolarHBondContact CB-O 3.35Å; M378-N382 PolarHBondContact O-N 2.86Å; M378-N382 PolarHBondContact O-ND2 2.96Å; M378-N382 VanDerWaalsContact O-ND2 3.15Å; N379-N382 PolarHBondContact O-N 2.76Å; N382-K384 VanDerWaalsContact C-N 3.27Å; N382-K384 PolarHBondContact O-N 3.15Å; N382-A385 WeakPolarHBondContact O-CB 3.41Å; N382-A385 PolarHBondContact O-N 3.43Å; N382-A385 VanDerWaalsContact O-N 3.12Å; N382-G386 PolarHBondContact O-N 2.81Å; N382-L525 HydrophobicContact CB-CD2 4.28Å; N382-L525 WeakPolarHBondContact OD1-CA 3.49Å; N382-V526 PolarHBondContact ND2-O 3.22Å; N382-V526 PolarHBondContact OD1-N 2.93Å; N382-V526 PolarHBondContact OD1-O 3.44Å
383	K	97.3	Very high	95.8	Very high	15 Å²	15	29.8 Å²	29.8	7%	0.065	13%	0.132	C	C	.	.	H	α-helix	trans	-52.3	-47.1	171	-72.6	175.3	172.6	175.3	0	111	S213 S217 L274 D278 N379 A385 G386 R387	S213-K383 WeakPolarHBondContact O-CG 3.3Å; S217-K383 PolarHBondContact OG-O 3.29Å; L274-K383 PolarHBondContact O-NZ 2.86Å; D278-K383 IonicContact OD2-NZ 3.15Å; D278-K383 PolarHBondContact OD2-NZ 3.24Å; N379-K383 WeakPolarHBondContact O-CB 3.28Å; N379-K383 VanDerWaalsContact O-CG 3.29Å; N379-K383 WeakPolarHBondContact O-CG 3.41Å; N379-K383 PolarHBondContact O-N 2.88Å; K383-A385 PolarHBondContact O-N 3.37Å; K383-G386 PolarHBondContact O-N 3.21Å; K383-R387 WeakPolarHBondContact O-CG 3.44Å; K383-R387 PolarHBondContact O-N 3.48Å
384	K	97.7	Very high	95.9	Very high	103 Å²	103	32.5 Å²	32.5	45%	0.448	14%	0.142	S	C	.	.	H	α-helix	trans	-67.5	-30.9	179.1	-174.9	178.4	-171.7	171.9	0	113.8	L380 H381 N382 R388	L380-K384 WeakPolarHBondContact O-CB 3.15Å; L380-K384 PolarHBondContact O-N 3.33Å; H381-K384 CarbonylContact O-C 3.2Å; H381-K384 WeakPolarHBondContact O-CB 3.43Å; H381-K384 PolarHBondContact O-N 2.8Å; N382-K384 VanDerWaalsContact C-N 3.27Å; N382-K384 PolarHBondContact O-N 3.15Å; K384-R388 WeakPolarHBondContact O-CB 3.39Å; K384-R388 WeakPolarHBondContact O-CG 3.31Å; K384-R388 PolarHBondContact O-N 3.33Å
385	A	97.5	Very high	95.9	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-47.9	171.4	0	0	0	0	0	110.9	H381 N382 K383 R387 R388 L389 L525	H381-A385 PolarHBondContact O-N 3.46Å; N382-A385 WeakPolarHBondContact O-CB 3.41Å; N382-A385 PolarHBondContact O-N 3.43Å; N382-A385 VanDerWaalsContact O-N 3.12Å; K383-A385 PolarHBondContact O-N 3.37Å; A385-R387 PolarHBondContact O-N 2.94Å; A385-R388 WeakPolarHBondContact O-CB 3.27Å; A385-R388 PolarHBondContact O-N 3.48Å; A385-R388 VanDerWaalsContact O-N 3.16Å; A385-L389 PolarHBondContact O-N 3.1Å; A385-L525 HydrophobicContact CB-CD2 4.1Å
386	G	97.4	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.3	-49.4	175.1	0	0	0	0	0	113.2	N382 K383 R388 L389 I390	N382-G386 PolarHBondContact O-N 2.81Å; K383-G386 PolarHBondContact O-N 3.21Å; G386-R388 VanDerWaalsContact C-N 3.3Å; G386-R388 PolarHBondContact O-N 3.48Å; G386-L389 WeakPolarHBondContact O-CB 3.41Å; G386-L389 PolarHBondContact O-N 3.46Å; G386-L389 VanDerWaalsContact O-N 3.08Å; G386-I390 PolarHBondContact O-N 3.23Å
387	R	97.8	Very high	96.1	Very high	8 Å²	8	39.4 Å²	39.4	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-38.1	176	-62.6	-169.2	-73.7	-100.9	1.2	113	S217 V221 M267 D275 K383 A385 L389	S217-R387 WeakPolarHBondContact OG-CD 3.48Å; S217-R387 WeakPolarHBondContact OG-CG 3.42Å; S217-R387 PolarHBondContact OG-NH1 3.28Å; V221-R387 HydrophobicContact CG2-CB 4.11Å; V221-R387 HydrophobicContact CG2-CG 3.58Å; M267-R387 HydrophobicContact CE-CB 4.07Å; M267-R387 HydrophobicContact CG-CB 4.39Å; D275-R387 IonicContact OD1-CZ 3.82Å; D275-R387 IonicContact OD1-NH1 3.99Å; D275-R387 PolarHBondContact OD1-NH1 3.26Å; D275-R387 IonicContact OD1-NH2 3.98Å; D275-R387 PolarHBondContact OD1-NH2 3.31Å; D275-R387 IonicContact OD2-CZ 3.32Å; D275-R387 IonicContact OD2-NH1 2.78Å; D275-R387 IonicContact OD2-NH2 3.05Å; D275-R387 PolarHBondContact OD2-NH2 3.16Å; K383-R387 WeakPolarHBondContact O-CG 3.44Å; K383-R387 PolarHBondContact O-N 3.48Å; A385-R387 PolarHBondContact O-N 2.94Å; R387-L389 VanDerWaalsContact C-N 3.33Å
388	R	96.8	Very high	96.1	Very high	67 Å²	67	40.1 Å²	40.1	25%	0.253	19%	0.187	S	C	.	.	H	α-helix	trans	-69.4	-29.8	176.7	-81.8	172.8	167.8	154.3	-4.3	113.1	M267 K384 A385 G386 W391 K392 K522	M267-R388 HydrophobicContact CE-CG 4.34Å; K384-R388 WeakPolarHBondContact O-CB 3.39Å; K384-R388 WeakPolarHBondContact O-CG 3.31Å; K384-R388 PolarHBondContact O-N 3.33Å; A385-R388 WeakPolarHBondContact O-CB 3.27Å; A385-R388 PolarHBondContact O-N 3.48Å; A385-R388 VanDerWaalsContact O-N 3.16Å; G386-R388 VanDerWaalsContact C-N 3.3Å; G386-R388 PolarHBondContact O-N 3.48Å; R388-W391 PolarHBondContact O-N 2.91Å; R388-K392 WeakPolarHBondContact O-CB 3.03Å; R388-K392 PolarHBondContact O-N 2.89Å; R388-K522 WeakPolarHBondContact CD-O 3.26Å; R388-K522 VanDerWaalsContact NH1-CB 3.33Å; R388-K522 PolarHBondContact NH1-O 2.91Å
389	L	95.9	Very high	96.1	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.099	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-40.1	179	-164.6	69.8	0	0	0	111.3	A385 G386 R387 K392 N393 I422 M425 L426	A385-L389 PolarHBondContact O-N 3.1Å; G386-L389 WeakPolarHBondContact O-CB 3.41Å; G386-L389 PolarHBondContact O-N 3.46Å; G386-L389 VanDerWaalsContact O-N 3.08Å; R387-L389 VanDerWaalsContact C-N 3.33Å; L389-K392 PolarHBondContact O-N 3.22Å; L389-N393 VanDerWaalsContact CD1-ND2 3.27Å; L389-N393 WeakPolarHBondContact CD1-ND2 3.34Å; L389-N393 PolarHBondContact O-N 2.96Å; L389-N393 VanDerWaalsContact O-N 3.09Å; L389-N393 PolarHBondContact O-ND2 3.24Å; L389-I422 HydrophobicContact CD2-CG2 3.96Å; L389-I422 HydrophobicContact CG-CG2 4.5Å; L389-M425 HydrophobicContact CD1-CB 4.17Å; L389-M425 HydrophobicContact CD1-SD 4.35Å; L389-M425 HydrophobicContact CD2-CB 3.82Å; L389-M425 HydrophobicContact CG-CB 4.37Å; L389-L426 HydrophobicContact CD2-CD2 3.58Å; L389-L426 HydrophobicContact CD2-CG 3.58Å
390	I	97.3	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-51.1	171.6	-56.8	-61.9	0	0	0	111	A218 V221 Q222 I263 G386 K392 R394 V416 F419 I422	A218-I390 HydrophobicContact CB-CD1 4.03Å; A218-I390 HydrophobicContact CB-CG1 4.05Å; V221-I390 HydrophobicContact CB-CG1 4.33Å; V221-I390 HydrophobicContact CG1-CB 4.13Å; V221-I390 HydrophobicContact CG1-CG1 4.21Å; V221-I390 HydrophobicContact CG1-CG2 3.91Å; Q222-I390 HydrophobicContact CB-CD1 4.38Å; I263-I390 HydrophobicContact CG2-CG2 4.02Å; G386-I390 PolarHBondContact O-N 3.23Å; I390-K392 PolarHBondContact O-N 3.49Å; I390-R394 PolarHBondContact O-N 3.48Å; I390-V416 HydrophobicContact CG2-CB 4.44Å; I390-V416 HydrophobicContact CG2-CG1 3.87Å; I390-F419 HydrophobicContact CD1-CE2 4.32Å; I390-I422 HydrophobicContact CD1-CB 4.34Å; I390-I422 HydrophobicContact CD1-CD1 4.07Å; I390-I422 HydrophobicContact CD1-CG1 3.81Å; I390-I422 HydrophobicContact CD1-CG2 3.71Å
391	W	95.2	Very high	96.1	Very high	56 Å²	56	50.8 Å²	50.8	21%	0.212	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-40.7	-179.2	173	-99.3	0	0	0	113.5	I263 R264 M267 R388 R394	I263-W391 HydrophobicContact CB-CE3 3.92Å; I263-W391 HydrophobicContact CB-CZ3 4.28Å; I263-W391 HydrophobicContact CG2-CB 4.28Å; I263-W391 HydrophobicContact CG2-CE3 3.83Å; R264-W391 HydrophobicContact CG-CE3 4.09Å; R264-W391 HydrophobicContact CG-CH2 3.93Å; R264-W391 HydrophobicContact CG-CZ3 3.59Å; M267-W391 HydrophobicContact CE-CB 4.42Å; M267-W391 HydrophobicContact SD-CB 3.53Å; M267-W391 VanDerWaalsContact SD-CB 3.53Å; M267-W391 HydrophobicContact SD-CG 4.15Å; R388-W391 PolarHBondContact O-N 2.91Å; W391-R394 VanDerWaalsContact O-CD 3.26Å; W391-R394 WeakPolarHBondContact O-CD 3.47Å; W391-R394 VanDerWaalsContact O-CG 3.31Å; W391-R394 WeakPolarHBondContact O-CG 3.35Å; W391-R394 PolarHBondContact O-NH1 3.12Å
392	K	95.1	Very high	95.9	Very high	121 Å²	121	49.5 Å²	49.5	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-34.6	-177.8	-81.6	-179	163.4	-172.1	0	113.1	R388 L389 I390 N523	R388-K392 WeakPolarHBondContact O-CB 3.03Å; R388-K392 PolarHBondContact O-N 2.89Å; L389-K392 PolarHBondContact O-N 3.22Å; I390-K392 PolarHBondContact O-N 3.49Å; K392-N523 WeakPolarHBondContact CD-ND2 3.33Å; K392-N523 WeakPolarHBondContact CE-OD1 3.47Å; K392-N523 PolarHBondContact NZ-ND2 2.04Å; K392-N523 PolarHBondContact NZ-OD1 3.04Å
393	N	95.3	Very high	95.8	Very high	43 Å²	43	55.4 Å²	55.4	23%	0.23	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	15.6	-176.8	-57.5	-68.6	0	0	0	113.6	L389 N417 I422 M425	L389-N393 VanDerWaalsContact CD1-ND2 3.27Å; L389-N393 WeakPolarHBondContact CD1-ND2 3.34Å; L389-N393 PolarHBondContact O-N 2.96Å; L389-N393 VanDerWaalsContact O-N 3.09Å; L389-N393 PolarHBondContact O-ND2 3.24Å; N393-N417 WeakPolarHBondContact O-CB 3.25Å; N393-N417 PolarHBondContact O-ND2 3.46Å; N393-I422 HydrophobicContact CB-CD1 4.14Å; N393-M425 HydrophobicContact CB-CE 4.4Å; N393-M425 HydrophobicContact CB-SD 4.13Å; N393-M425 PolarHBondContact ND2-SD 2.04Å; N393-M425 WeakPolarHBondContact OD1-CE 3.34Å
394	R	95.2	Very high	95.6	Very high	66 Å²	66	61 Å²	61	25%	0.249	31%	0.31	C	S	.	.			trans	-59.4	145.3	169.6	76.2	-168	-173.2	-63.4	-8.1	110.6	I263 I390 W391 R415	I263-R394 HydrophobicContact CD1-CB 3.47Å; I263-R394 VanDerWaalsContact CD1-CB 3.47Å; I263-R394 HydrophobicContact CD1-CG 4.17Å; I390-R394 PolarHBondContact O-N 3.48Å; W391-R394 VanDerWaalsContact O-CD 3.26Å; W391-R394 WeakPolarHBondContact O-CD 3.47Å; W391-R394 VanDerWaalsContact O-CG 3.31Å; W391-R394 WeakPolarHBondContact O-CG 3.35Å; W391-R394 PolarHBondContact O-NH1 3.12Å; R394-R415 WeakPolarHBondContact CA-O 3.11Å; R394-R415 WeakPolarHBondContact CB-O 3.25Å
395	I	94.8	Very high	95.3	Very high	42 Å²	42	58.5 Å²	58.5	22%	0.215	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.4	-174.2	56.6	-179.1	0	0	0	110.9	K397 Q414 R415 N417	I395-K397 HydrophobicContact CD1-CD 4.18Å; I395-K397 HydrophobicContact CD1-CG 4.18Å; I395-K397 HydrophobicContact CG1-CG 4.38Å; I395-Q414 CarbonylContact O-C 3.54Å; I395-Q414 WeakPolarHBondContact O-CA 3.36Å; I395-R415 HydrophobicContact CG1-CB 4.21Å; I395-R415 PolarHBondContact N-O 2.86Å; I395-R415 PolarHBondContact O-N 3.39Å; I395-N417 WeakPolarHBondContact CG2-ND2 3.48Å
396	T	94.4	Very high	95.1	Very high	59 Å²	59	60.3 Å²	60.3	36%	0.362	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.1	160.7	-56.5	0	0	0	0	107.7	F254 W256 C412 W413	F254-T396 HydrophobicContact CZ-CG2 4.45Å; W256-T396 HydrophobicContact CH2-CG2 4.45Å; W256-T396 HydrophobicContact CZ3-CG2 4.46Å; T396-C412 HydrophobicContact CG2-CB 3.66Å; T396-W413 WeakPolarHBondContact CA-O 3.02Å
397	K	95	Very high	94.9	Very high	112 Å²	112	63.7 Å²	63.7	49%	0.487	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.1	168.4	-75	-59.1	-158.8	-174.6	0	108.3	I395 C412 W413 R415	I395-K397 HydrophobicContact CD1-CD 4.18Å; I395-K397 HydrophobicContact CD1-CG 4.18Å; I395-K397 HydrophobicContact CG1-CG 4.38Å; K397-C412 CarbonylContact O-C 3.55Å; K397-C412 WeakPolarHBondContact O-CA 3.34Å; K397-C412 WeakPolarHBondContact O-CB 3.33Å; K397-W413 HydrophobicContact CB-CZ2 4.08Å; K397-W413 PolarHBondContact N-O 3.31Å; K397-W413 PolarHBondContact O-N 3.23Å; K397-R415 HydrophobicContact CG-CG 4.31Å
398	C	95.4	Very high	94.5	Very high	48 Å²	48	68.2 Å²	68.2	32%	0.324	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.6	-176.7	-59	0	0	0	0	110.8	T411 C412	C398-T411 CarbonylContact C-O 3.56Å; C398-T411 VanDerWaalsContact CA-O 3.31Å; C398-T411 WeakPolarHBondContact CA-O 3.38Å; C398-C412 HydrophobicContact CB-CB 4.04Å; C398-C412 WeakPolarHBondContact CB-SG 3.38Å; C398-C412 WeakPolarHBondContact SG-CB 3.15Å; C398-C412 CovalentContact SG-SG 2.03Å; C398-C412 PolarHBondContact SG-SG 3.45Å
399	K	95.6	Very high	94.4	Very high	139 Å²	139	70.1 Å²	70.1	60%	0.604	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	164	178.7	178.1	179.6	-175	0	108.6	H401 R410 T411 W413	K399-H401 PolarHBondContact O-CD2 3.4Å; K399-R410 VanDerWaalsContact O-CA 3.23Å; K399-R410 WeakPolarHBondContact O-CA 3.33Å; K399-R410 WeakPolarHBondContact O-CB 3.47Å; K399-T411 PolarHBondContact N-O 2.74Å; K399-T411 PolarHBondContact O-N 2.92Å; K399-W413 HydrophobicContact CB-CH2 3.88Å; K399-W413 HydrophobicContact CB-CZ3 3.93Å
400	C	96	Very high	94.3	Very high	40 Å²	40	69.6 Å²	69.6	27%	0.27	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.4	171.7	-53.3	0	0	0	0	110.2	G405 C407	C400-G405 WeakPolarHBondContact CB-O 3Å; C400-C407 HydrophobicContact CB-CB 3.88Å; C400-C407 WeakPolarHBondContact CB-SG 3.44Å; C400-C407 WeakPolarHBondContact SG-CA 3.39Å; C400-C407 WeakPolarHBondContact SG-CB 3.3Å; C400-C407 CovalentContact SG-SG 2.04Å; C400-C407 PolarHBondContact SG-SG 3.08Å
401	H	94.7	Very high	94.2	Very high	91 Å²	91	71 Å²	71	42%	0.421	40%	0.403	S	S	.	.			trans	-152.9	16.2	-174.8	54.4	59.6	0	0	0	113.6	K399 M409 T411	K399-H401 PolarHBondContact O-CD2 3.4Å; H401-M409 PolarHBondContact N-O 3.16Å; H401-T411 PolarHBondContact NE2-N 3.07Å; H401-T411 PolarHBondContact NE2-OG1 3.11Å
402	G	92.2	Very high	94.3	Very high	7 Å²	7	68.4 Å²	68.4	7%	0.072	39%	0.392	C	S	.	.	S	Bend	trans	-65.9	176.2	163.9	0	0	0	0	0	112.6	S404 G405 A406 M409	G402-S404 PolarHBondContact O-N 3.19Å; G402-G405 WeakPolarHBondContact O-CA 3.3Å; G402-G405 PolarHBondContact O-N 3.16Å; G402-A406 VanDerWaalsContact CA-O 3.28Å; G402-A406 WeakPolarHBondContact CA-O 3.19Å; G402-A406 PolarHBondContact N-O 3Å; G402-A406 PolarHBondContact O-N 2.64Å; G402-M409 PolarHBondContact N-O 3.17Å
403	V	94.8	Very high	94.4	Very high	125 Å²	125	65.3 Å²	65.3	76%	0.758	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-50.4	132.8	180	-175.5	0	0	0	0	110.6	G405 A406	V403-G405 PolarHBondContact O-N 3.03Å; V403-G405 VanDerWaalsContact O-N 3.09Å; V403-A406 VanDerWaalsContact O-CB 3.22Å; V403-A406 WeakPolarHBondContact O-CB 3.11Å; V403-A406 PolarHBondContact O-N 3.18Å
404	S	93.2	Very high	94.4	Very high	133 Å²	133	64 Å²	64	93%	0.93	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	53.5	25.4	-175.9	-54.4	0	0	0	0	115.1	G402	G402-S404 PolarHBondContact O-N 3.19Å
405	G	92.2	Very high	94.4	Very high	49 Å²	49	64.4 Å²	64.4	51%	0.505	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	87	7.2	-178.7	0	0	0	0	0	114.9	C400 G402 V403	C400-G405 WeakPolarHBondContact CB-O 3Å; G402-G405 WeakPolarHBondContact O-CA 3.3Å; G402-G405 PolarHBondContact O-N 3.16Å; V403-G405 PolarHBondContact O-N 3.03Å; V403-G405 VanDerWaalsContact O-N 3.09Å
406	A	92.1	Very high	94.5	Very high	42 Å²	42	62.5 Å²	62.5	35%	0.347	36%	0.362	S	S	.	.			trans	-57.5	139.5	-178	0	0	0	0	0	113.2	G402 V403 S408	G402-A406 VanDerWaalsContact CA-O 3.28Å; G402-A406 WeakPolarHBondContact CA-O 3.19Å; G402-A406 PolarHBondContact N-O 3Å; G402-A406 PolarHBondContact O-N 2.64Å; V403-A406 VanDerWaalsContact O-CB 3.22Å; V403-A406 WeakPolarHBondContact O-CB 3.11Å; V403-A406 PolarHBondContact O-N 3.18Å; A406-S408 VanDerWaalsContact C-N 3.26Å; A406-S408 PolarHBondContact O-N 3.39Å
407	C	93.4	Very high	94.6	Very high	70 Å²	70	60.8 Å²	60.8	47%	0.473	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.9	-178.9	-63.8	0	0	0	0	115	C400 M409	C400-C407 HydrophobicContact CB-CB 3.88Å; C400-C407 WeakPolarHBondContact CB-SG 3.44Å; C400-C407 WeakPolarHBondContact SG-CA 3.39Å; C400-C407 WeakPolarHBondContact SG-CB 3.3Å; C400-C407 CovalentContact SG-SG 2.04Å; C400-C407 PolarHBondContact SG-SG 3.08Å; C407-M409 PolarHBondContact O-N 3.3Å
408	S	91.1	Very high	94.7	Very high	103 Å²	103	60.8 Å²	60.8	72%	0.72	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.2	170	51.7	0	0	0	0	112.6	A406	A406-S408 VanDerWaalsContact C-N 3.26Å; A406-S408 PolarHBondContact O-N 3.39Å
409	M	92.8	Very high	94.7	Very high	108 Å²	108	58.8 Å²	58.8	53%	0.532	34%	0.338	S	S	.	.	S	Bend	trans	-119.1	125.6	162	-61.6	-165.8	-62.1	0	0	109.4	H401 G402 C407	H401-M409 PolarHBondContact N-O 3.16Å; G402-M409 PolarHBondContact N-O 3.17Å; C407-M409 PolarHBondContact O-N 3.3Å
410	R	95.2	Very high	94.8	Very high	8 Å²	8	56.9 Å²	56.9	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.7	178.6	62.4	-172.7	171.7	118.7	18.5	110.8	D249 E251 G252 F254 T255 K399	D249-R410 VanDerWaalsContact CG-NH2 3.3Å; D249-R410 IonicContact OD1-CZ 3.02Å; D249-R410 IonicContact OD1-NH1 3.43Å; D249-R410 PolarHBondContact OD1-NH1 3.01Å; D249-R410 IonicContact OD1-NH2 2.67Å; D249-R410 PolarHBondContact OD1-NH2 3.18Å; D249-R410 IonicContact OD2-CZ 2.7Å; D249-R410 IonicContact OD2-NH1 3.44Å; D249-R410 PolarHBondContact OD2-NH1 2.8Å; D249-R410 IonicContact OD2-NH2 3.6Å; D249-R410 PolarHBondContact OD2-NH2 3.13Å; E251-R410 IonicContact OE2-CZ 3.3Å; E251-R410 VanDerWaalsContact OE2-CZ 3.25Å; E251-R410 IonicContact OE2-NE 3.49Å; E251-R410 IonicContact OE2-NH1 3.72Å; E251-R410 PolarHBondContact OE2-NH1 2.79Å; G252-R410 PolarHBondContact O-NH2 3.48Å; F254-R410 HydrophobicContact CB-CG 3.94Å; T255-R410 PolarHBondContact N-O 3.47Å; K399-R410 VanDerWaalsContact O-CA 3.23Å; K399-R410 WeakPolarHBondContact O-CA 3.33Å; K399-R410 WeakPolarHBondContact O-CB 3.47Å
411	T	95.4	Very high	94.8	Very high	30 Å²	30	58 Å²	58	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.9	173.7	-63.9	0	0	0	0	109.5	T255 C398 K399 H401 W413	T255-T411 CarbonylContact O-C 3.59Å; T255-T411 VanDerWaalsContact O-CA 3.3Å; T255-T411 WeakPolarHBondContact O-CA 2.8Å; T255-T411 PolarHBondContact OG1-OG1 2.8Å; C398-T411 CarbonylContact C-O 3.56Å; C398-T411 VanDerWaalsContact CA-O 3.31Å; C398-T411 WeakPolarHBondContact CA-O 3.38Å; K399-T411 PolarHBondContact N-O 2.74Å; K399-T411 PolarHBondContact O-N 2.92Å; H401-T411 PolarHBondContact NE2-N 3.07Å; H401-T411 PolarHBondContact NE2-OG1 3.11Å; T411-W413 WeakPolarHBondContact O-CZ3 3.38Å
412	C	96.6	Very high	94.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.1	-170.4	-50	0	0	0	0	113.4	F254 T255 W256 G257 T396 K397 C398	F254-C412 HydrophobicContact CD2-CB 3.55Å; F254-C412 VanDerWaalsContact CD2-SG 3.51Å; F254-C412 HydrophobicContact CE2-CB 3.72Å; F254-C412 HydrophobicContact CG-CB 4.22Å; F254-C412 VanDerWaalsContact CG-SG 3.54Å; F254-C412 HydrophobicContact CZ-CB 4.5Å; T255-C412 PolarHBondContact O-N 3.14Å; W256-C412 WeakPolarHBondContact CA-O 3.28Å; G257-C412 PolarHBondContact N-O 2.67Å; T396-C412 HydrophobicContact CG2-CB 3.66Å; K397-C412 CarbonylContact O-C 3.55Å; K397-C412 WeakPolarHBondContact O-CA 3.34Å; K397-C412 WeakPolarHBondContact O-CB 3.33Å; C398-C412 HydrophobicContact CB-CB 4.04Å; C398-C412 WeakPolarHBondContact CB-SG 3.38Å; C398-C412 WeakPolarHBondContact SG-CB 3.15Å; C398-C412 CovalentContact SG-SG 2.03Å; C398-C412 PolarHBondContact SG-SG 3.45Å
413	W	96.3	Very high	95.1	Very high	56 Å²	56	53.3 Å²	53.3	21%	0.212	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.4	178.5	55.8	93.6	0	0	0	110.5	G257 S260 T396 K397 K399 T411 R415	G257-W413 WeakPolarHBondContact O-CB 3.05Å; S260-W413 WeakPolarHBondContact OG-CA 3.25Å; S260-W413 WeakPolarHBondContact OG-CB 3.36Å; T396-W413 WeakPolarHBondContact CA-O 3.02Å; K397-W413 HydrophobicContact CB-CZ2 4.08Å; K397-W413 PolarHBondContact N-O 3.31Å; K397-W413 PolarHBondContact O-N 3.23Å; K399-W413 HydrophobicContact CB-CH2 3.88Å; K399-W413 HydrophobicContact CB-CZ3 3.93Å; T411-W413 WeakPolarHBondContact O-CZ3 3.38Å; W413-R415 VanDerWaalsContact NE1-NE 3.16Å
414	Q	95.6	Very high	95.2	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	142.2	171.5	-74.4	-165.3	-21.4	0	0	111.6	R242 W256 S260 D261 I395	R242-Q414 VanDerWaalsContact CZ-CD 3.5Å; R242-Q414 VanDerWaalsContact NE-OE1 3.1Å; W256-Q414 HydrophobicContact CH2-CG 4.24Å; W256-Q414 HydrophobicContact CZ3-CG 4.01Å; S260-Q414 CarbonylContact C-O 3.56Å; S260-Q414 WeakPolarHBondContact CA-O 3.43Å; S260-Q414 PolarHBondContact OG-N 3.07Å; D261-Q414 PolarHBondContact N-O 3.12Å; I395-Q414 CarbonylContact O-C 3.54Å; I395-Q414 WeakPolarHBondContact O-CA 3.36Å
415	R	96.3	Very high	95.4	Very high	74 Å²	74	48.2 Å²	48.2	28%	0.279	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.4	171.4	-66.8	-59.7	-171.6	151.5	4.9	111.6	S229 D261 R394 I395 K397 W413	S229-R415 PolarHBondContact OG-NH1 3.09Å; D261-R415 WeakPolarHBondContact OD1-CD 3.42Å; D261-R415 IonicContact OD1-CZ 2.72Å; D261-R415 IonicContact OD1-NE 2.86Å; D261-R415 IonicContact OD1-NH1 2.8Å; D261-R415 PolarHBondContact OD1-NH1 3.11Å; D261-R415 VanDerWaalsContact OD2-CA 3.24Å; D261-R415 WeakPolarHBondContact OD2-CA 3.42Å; D261-R415 WeakPolarHBondContact OD2-CD 3.33Å; R394-R415 WeakPolarHBondContact CA-O 3.11Å; R394-R415 WeakPolarHBondContact CB-O 3.25Å; I395-R415 HydrophobicContact CG1-CB 4.21Å; I395-R415 PolarHBondContact N-O 2.86Å; I395-R415 PolarHBondContact O-N 3.39Å; K397-R415 HydrophobicContact CG-CG 4.31Å; W413-R415 VanDerWaalsContact NE1-NE 3.16Å
416	V	96.9	Very high	95.6	Very high	2 Å²	2	46 Å²	46	1%	0.012	24%	0.238	C	C	.	.			trans	-59.4	149.4	158.2	-61.7	0	0	0	0	109.5	Q222 T225 R226 D261 I263 I390	Q222-V416 HydrophobicContact CG-CB 4.5Å; Q222-V416 HydrophobicContact CG-CG2 4Å; T225-V416 HydrophobicContact CG2-CG1 3.95Å; R226-V416 HydrophobicContact CG-CG2 3.82Å; R226-V416 VanDerWaalsContact NE-CG2 3.29Å; D261-V416 PolarHBondContact OD2-N 3.33Å; I263-V416 HydrophobicContact CD1-CG1 4.03Å; I263-V416 HydrophobicContact CG1-CG1 3.73Å; I390-V416 HydrophobicContact CG2-CB 4.44Å; I390-V416 HydrophobicContact CG2-CG1 3.87Å
417	N	96.2	Very high	95.8	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.123	23%	0.227	C	C	.	.			trans	-74	174.9	177.9	-144	-42.8	0	0	0	111.4	Q222 N393 I395 I422	Q222-N417 PolarHBondContact NE2-O 3.12Å; Q222-N417 PolarHBondContact OE1-O 3.43Å; N393-N417 WeakPolarHBondContact O-CB 3.25Å; N393-N417 PolarHBondContact O-ND2 3.46Å; I395-N417 WeakPolarHBondContact CG2-ND2 3.48Å; N417-I422 HydrophobicContact CB-CD1 4.15Å
418	E	96.5	Very high	95.9	Very high	111 Å²	111	44.6 Å²	44.6	52%	0.519	23%	0.227	S	C	.	.			trans	-72.5	135.2	167.9	-66.3	-44.5	136.2	0	0	111.5	R226 R420 L421 I422	R226-E418 IonicContact CZ-OE2 3.23Å; R226-E418 IonicContact NH1-OE2 3.67Å; R226-E418 VanDerWaalsContact NH2-CD 3.25Å; R226-E418 IonicContact NH2-OE1 3.26Å; R226-E418 PolarHBondContact NH2-OE1 2.87Å; R226-E418 IonicContact NH2-OE2 2.82Å; R226-E418 PolarHBondContact NH2-OE2 2.92Å; E418-R420 PolarHBondContact O-N 3.42Å; E418-R420 VanDerWaalsContact O-N 3.15Å; E418-L421 PolarHBondContact O-N 3.05Å; E418-I422 PolarHBondContact O-N 3.04Å
419	F	97	Very high	96.2	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-24.3	-167.7	-162.1	-105.8	0	0	0	113.2	L160 E164 A218 G219 Q222 I390 L421 I422 G423	L160-F419 HydrophobicContact CD1-CB 3.79Å; L160-F419 HydrophobicContact CD1-CD1 3.66Å; L160-F419 HydrophobicContact CD1-CE1 4.45Å; L160-F419 HydrophobicContact CD1-CG 3.8Å; L160-F419 HydrophobicContact CD2-CB 4.09Å; L160-F419 HydrophobicContact CD2-CD1 4.25Å; L160-F419 HydrophobicContact CD2-CD2 3.92Å; L160-F419 HydrophobicContact CD2-CE2 4.45Å; L160-F419 HydrophobicContact CD2-CG 3.81Å; L160-F419 HydrophobicContact CG-CB 4.09Å; L160-F419 HydrophobicContact CG-CD1 3.53Å; L160-F419 HydrophobicContact CG-CD2 4.1Å; L160-F419 HydrophobicContact CG-CE1 3.92Å; L160-F419 HydrophobicContact CG-CE2 4.46Å; L160-F419 HydrophobicContact CG-CG 3.62Å; L160-F419 HydrophobicContact CG-CZ 4.37Å; L160-F419 WeakPolarHBondContact O-CE1 3.3Å; E164-F419 HydrophobicContact CB-CD1 3.81Å; E164-F419 HydrophobicContact CB-CE1 3.58Å; E164-F419 HydrophobicContact CG-CD1 3.95Å; E164-F419 HydrophobicContact CG-CE1 3.93Å; A218-F419 HydrophobicContact CB-CE2 3.99Å; A218-F419 HydrophobicContact CB-CZ 4.26Å; G219-F419 VanDerWaalsContact CA-CE2 3.5Å; Q222-F419 HydrophobicContact CB-CD2 4.27Å; Q222-F419 HydrophobicContact CG-CD2 4.34Å; I390-F419 HydrophobicContact CD1-CE2 4.32Å; F419-L421 VanDerWaalsContact C-N 3.28Å; F419-L421 PolarHBondContact O-N 3.22Å; F419-I422 HydrophobicContact CD2-CB 4.09Å; F419-I422 HydrophobicContact CD2-CG1 4.37Å; F419-I422 HydrophobicContact CD2-CG2 4.28Å; F419-I422 HydrophobicContact CE2-CB 4.29Å; F419-I422 HydrophobicContact CE2-CG2 3.99Å; F419-I422 CarbonylContact O-C 3.58Å; F419-I422 WeakPolarHBondContact O-CB 3.5Å; F419-I422 PolarHBondContact O-N 2.79Å; F419-I422 VanDerWaalsContact O-N 3.17Å; F419-G423 PolarHBondContact O-N 2.85Å
420	R	96.9	Very high	96.4	Very high	98 Å²	98	36.2 Å²	36.2	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-56.6	-40	170.8	-179.1	52.2	43.3	71.9	4.5	112.6	E164 H167 E418 G423 M424	E164-R420 VanDerWaalsContact CD-NE 3.29Å; E164-R420 VanDerWaalsContact OE1-CD 3.3Å; E164-R420 WeakPolarHBondContact OE1-CD 3.48Å; E164-R420 IonicContact OE1-CZ 2.85Å; E164-R420 IonicContact OE1-NE 2.99Å; E164-R420 PolarHBondContact OE1-NE 2.88Å; E164-R420 IonicContact OE1-NH2 3.69Å; E164-R420 IonicContact OE2-CZ 3.71Å; E164-R420 IonicContact OE2-NE 3.42Å; E164-R420 PolarHBondContact OE2-NE 3.15Å; E164-R420 IonicContact OE2-NH2 3.69Å; E164-R420 PolarHBondContact OE2-NH2 2.91Å; H167-R420 PolarHBondContact CD2-NE 2.63Å; H167-R420 PolarHBondContact CD2-NH2 2.77Å; H167-R420 PolarHBondContact NE2-NE 3.31Å; H167-R420 PolarHBondContact NE2-NH1 3.17Å; E418-R420 PolarHBondContact O-N 3.42Å; E418-R420 VanDerWaalsContact O-N 3.15Å; R420-G423 PolarHBondContact O-N 3.47Å; R420-M424 HydrophobicContact CG-CE 4.43Å; R420-M424 WeakPolarHBondContact O-CG 3.48Å; R420-M424 PolarHBondContact O-N 2.92Å
421	L	96.2	Very high	96.3	Very high	63 Å²	63	40.4 Å²	40.4	33%	0.33	20%	0.2	S	C	.	.	H	α-helix	trans	-71.7	-36.5	177.9	-177	54.6	0	0	0	111.3	E418 F419 M424 M425	E418-L421 PolarHBondContact O-N 3.05Å; F419-L421 VanDerWaalsContact C-N 3.28Å; F419-L421 PolarHBondContact O-N 3.22Å; L421-M424 HydrophobicContact CB-CE 4.4Å; L421-M424 HydrophobicContact CD1-CE 3.77Å; L421-M425 HydrophobicContact CD1-CE 3.97Å; L421-M425 HydrophobicContact CD2-CE 4.38Å; L421-M425 HydrophobicContact CG-CE 3.96Å; L421-M425 HydrophobicContact CG-SD 4.46Å; L421-M425 WeakPolarHBondContact O-CB 3.43Å; L421-M425 VanDerWaalsContact O-CG 3.27Å; L421-M425 WeakPolarHBondContact O-CG 3.21Å; L421-M425 PolarHBondContact O-N 3.03Å
422	I	96.7	Very high	96.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-43.2	170.8	-53.8	-58.9	0	0	0	110.6	A218 L389 I390 N393 N417 E418 F419 M425 L426	A218-I422 HydrophobicContact CB-CG2 4.16Å; L389-I422 HydrophobicContact CD2-CG2 3.96Å; L389-I422 HydrophobicContact CG-CG2 4.5Å; I390-I422 HydrophobicContact CD1-CB 4.34Å; I390-I422 HydrophobicContact CD1-CD1 4.07Å; I390-I422 HydrophobicContact CD1-CG1 3.81Å; I390-I422 HydrophobicContact CD1-CG2 3.71Å; N393-I422 HydrophobicContact CB-CD1 4.14Å; N417-I422 HydrophobicContact CB-CD1 4.15Å; E418-I422 PolarHBondContact O-N 3.04Å; F419-I422 HydrophobicContact CD2-CB 4.09Å; F419-I422 HydrophobicContact CD2-CG1 4.37Å; F419-I422 HydrophobicContact CD2-CG2 4.28Å; F419-I422 HydrophobicContact CE2-CB 4.29Å; F419-I422 HydrophobicContact CE2-CG2 3.99Å; F419-I422 CarbonylContact O-C 3.58Å; F419-I422 WeakPolarHBondContact O-CB 3.5Å; F419-I422 PolarHBondContact O-N 2.79Å; F419-I422 VanDerWaalsContact O-N 3.17Å; I422-M425 PolarHBondContact O-N 3.37Å; I422-L426 HydrophobicContact CG2-CD1 4.2Å; I422-L426 HydrophobicContact CG2-CG 4.49Å; I422-L426 WeakPolarHBondContact O-CG 3.3Å; I422-L426 PolarHBondContact O-N 3.27Å
423	G	96.2	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-48.4	176	0	0	0	0	0	113.1	F419 R420 M425 L426 K427	F419-G423 PolarHBondContact O-N 2.85Å; R420-G423 PolarHBondContact O-N 3.47Å; G423-M425 VanDerWaalsContact C-N 3.34Å; G423-M425 PolarHBondContact O-N 3.1Å; G423-L426 PolarHBondContact O-N 2.87Å; G423-L426 VanDerWaalsContact O-N 3.16Å; G423-K427 PolarHBondContact O-N 3.15Å
424	M	97	Very high	96.2	Very high	93 Å²	93	40.3 Å²	40.3	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-61.4	-41.3	175.3	-68.9	-174.5	-62.4	0	0	112	R420 L421 L426 K427 A428	R420-M424 HydrophobicContact CG-CE 4.43Å; R420-M424 WeakPolarHBondContact O-CG 3.48Å; R420-M424 PolarHBondContact O-N 2.92Å; L421-M424 HydrophobicContact CB-CE 4.4Å; L421-M424 HydrophobicContact CD1-CE 3.77Å; M424-L426 VanDerWaalsContact C-N 3.34Å; M424-L426 PolarHBondContact O-N 2.98Å; M424-K427 PolarHBondContact O-N 3.16Å; M424-A428 PolarHBondContact O-N 2.86Å
425	M	96.4	Very high	96.1	Very high	57 Å²	57	42.1 Å²	42.1	28%	0.281	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-33.2	175.1	-72.6	173.8	176.5	0	0	112.8	L389 N393 L421 I422 G423 A429	L389-M425 HydrophobicContact CD1-CB 4.17Å; L389-M425 HydrophobicContact CD1-SD 4.35Å; L389-M425 HydrophobicContact CD2-CB 3.82Å; L389-M425 HydrophobicContact CG-CB 4.37Å; N393-M425 HydrophobicContact CB-CE 4.4Å; N393-M425 HydrophobicContact CB-SD 4.13Å; N393-M425 PolarHBondContact ND2-SD 2.04Å; N393-M425 WeakPolarHBondContact OD1-CE 3.34Å; L421-M425 HydrophobicContact CD1-CE 3.97Å; L421-M425 HydrophobicContact CD2-CE 4.38Å; L421-M425 HydrophobicContact CG-CE 3.96Å; L421-M425 HydrophobicContact CG-SD 4.46Å; L421-M425 WeakPolarHBondContact O-CB 3.43Å; L421-M425 VanDerWaalsContact O-CG 3.27Å; L421-M425 WeakPolarHBondContact O-CG 3.21Å; L421-M425 PolarHBondContact O-N 3.03Å; I422-M425 PolarHBondContact O-N 3.37Å; G423-M425 VanDerWaalsContact C-N 3.34Å; G423-M425 PolarHBondContact O-N 3.1Å; M425-A429 WeakPolarHBondContact O-CB 3.31Å; M425-A429 PolarHBondContact O-N 3.04Å
426	L	97.1	Very high	95.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-36.9	172.1	-72.3	171.9	0	0	0	112	F211 A218 L389 I422 G423 M424 A429 Y430	F211-L426 HydrophobicContact CD2-CB 4.03Å; F211-L426 HydrophobicContact CE2-CB 3.54Å; F211-L426 HydrophobicContact CZ-CB 4.27Å; A218-L426 HydrophobicContact CB-CD1 4.31Å; L389-L426 HydrophobicContact CD2-CD2 3.58Å; L389-L426 HydrophobicContact CD2-CG 3.58Å; I422-L426 HydrophobicContact CG2-CD1 4.2Å; I422-L426 HydrophobicContact CG2-CG 4.49Å; I422-L426 WeakPolarHBondContact O-CG 3.3Å; I422-L426 PolarHBondContact O-N 3.27Å; G423-L426 PolarHBondContact O-N 2.87Å; G423-L426 VanDerWaalsContact O-N 3.16Å; M424-L426 VanDerWaalsContact C-N 3.34Å; M424-L426 PolarHBondContact O-N 2.98Å; L426-A429 CarbonylContact O-C 3.52Å; L426-A429 PolarHBondContact O-N 3.11Å; L426-A429 VanDerWaalsContact O-N 3.16Å; L426-Y430 WeakPolarHBondContact O-CB 3.41Å; L426-Y430 PolarHBondContact O-N 3.04Å
427	K	96.5	Very high	95.7	Very high	25 Å²	25	40.5 Å²	40.5	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-46.4	175.5	-176.3	56.5	167.1	73.4	0	110.2	F169 E172 F211 G423 M424 A429 Y430 D431	F169-K427 HydrophobicContact CE1-CD 4.29Å; F169-K427 HydrophobicContact CE2-CD 4.01Å; F169-K427 HydrophobicContact CZ-CD 3.76Å; E172-K427 VanDerWaalsContact OE1-CE 3.31Å; E172-K427 WeakPolarHBondContact OE1-CE 3.41Å; E172-K427 IonicContact OE1-NZ 2.69Å; E172-K427 PolarHBondContact OE1-NZ 2.97Å; F211-K427 HydrophobicContact CE2-CB 4.41Å; G423-K427 PolarHBondContact O-N 3.15Å; M424-K427 PolarHBondContact O-N 3.16Å; K427-A429 VanDerWaalsContact C-N 3.28Å; K427-A429 PolarHBondContact O-N 3.43Å; K427-Y430 HydrophobicContact CD-CD1 3.9Å; K427-Y430 HydrophobicContact CD-CE1 4.44Å; K427-Y430 WeakPolarHBondContact O-CA 3.24Å; K427-Y430 WeakPolarHBondContact O-CB 3.39Å; K427-Y430 PolarHBondContact O-N 3.31Å; K427-D431 VanDerWaalsContact NZ-CG 3.26Å; K427-D431 IonicContact NZ-OD1 3.86Å; K427-D431 PolarHBondContact NZ-OD1 3.38Å; K427-D431 IonicContact NZ-OD2 3.59Å; K427-D431 PolarHBondContact NZ-OD2 2.8Å; K427-D431 VanDerWaalsContact O-CG 3.31Å; K427-D431 PolarHBondContact O-N 2.75Å
428	A	96.3	Very high	95.6	Very high	58 Å²	58	39.7 Å²	39.7	48%	0.479	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-35	171.9	0	0	0	0	0	113.3	M424 S432	M424-A428 PolarHBondContact O-N 2.86Å; A428-S432 WeakPolarHBondContact O-CB 3.19Å; A428-S432 PolarHBondContact O-N 3.32Å; A428-S432 PolarHBondContact O-OG 2.96Å
429	A	95.9	Very high	95.3	Very high	15 Å²	15	36 Å²	36	12%	0.124	19%	0.194	C	C	.	.	H	α-helix	trans	-75.2	-21	175.2	0	0	0	0	0	114	M425 L426 K427 A433 L525	M425-A429 WeakPolarHBondContact O-CB 3.31Å; M425-A429 PolarHBondContact O-N 3.04Å; L426-A429 CarbonylContact O-C 3.52Å; L426-A429 PolarHBondContact O-N 3.11Å; L426-A429 VanDerWaalsContact O-N 3.16Å; K427-A429 VanDerWaalsContact C-N 3.28Å; K427-A429 PolarHBondContact O-N 3.43Å; A429-A433 PolarHBondContact O-N 2.87Å; A429-L525 HydrophobicContact CB-CD1 4.29Å; A429-L525 HydrophobicContact CB-CG 4.05Å
430	Y	96.6	Very high	95	Very high	20 Å²	20	37.8 Å²	37.8	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-80.5	-46.5	171.1	157	-84.8	0	0	0	111.2	F169 R207 E208 F211 L426 K427 S432 A433	F169-Y430 HydrophobicContact CE1-CD1 4.15Å; F169-Y430 AromaticContact CE1-CE1 3.61Å; F169-Y430 HydrophobicContact CE1-CE1 3.61Å; F169-Y430 HydrophobicContact CE1-CE2 4.04Å; F169-Y430 AromaticContact CE1-CZ 3.55Å; F169-Y430 AromaticContact CZ-CD1 3.76Å; F169-Y430 HydrophobicContact CZ-CD1 3.76Å; F169-Y430 AromaticContact CZ-CD2 3.99Å; F169-Y430 HydrophobicContact CZ-CD2 3.99Å; F169-Y430 AromaticContact CZ-CE1 3.71Å; F169-Y430 HydrophobicContact CZ-CE1 3.71Å; F169-Y430 AromaticContact CZ-CE2 3.92Å; F169-Y430 HydrophobicContact CZ-CE2 3.92Å; F169-Y430 AromaticContact CZ-CG 3.92Å; F169-Y430 HydrophobicContact CZ-CG 3.92Å; F169-Y430 AromaticContact CZ-CZ 3.8Å; R207-Y430 HydrophobicContact CB-CD2 3.87Å; R207-Y430 HydrophobicContact CB-CE2 3.52Å; R207-Y430 WeakPolarHBondContact O-CD2 3.48Å; E208-Y430 HydrophobicContact CG-CE2 4.19Å; F211-Y430 HydrophobicContact CB-CD2 3.88Å; F211-Y430 HydrophobicContact CB-CG 4.33Å; L426-Y430 WeakPolarHBondContact O-CB 3.41Å; L426-Y430 PolarHBondContact O-N 3.04Å; K427-Y430 HydrophobicContact CD-CD1 3.9Å; K427-Y430 HydrophobicContact CD-CE1 4.44Å; K427-Y430 WeakPolarHBondContact O-CA 3.24Å; K427-Y430 WeakPolarHBondContact O-CB 3.39Å; K427-Y430 PolarHBondContact O-N 3.31Å; Y430-S432 PolarHBondContact O-N 3.09Å; Y430-A433 WeakPolarHBondContact O-CB 3.48Å; Y430-A433 PolarHBondContact O-N 3.4Å
431	D	94.9	Very high	94.6	Very high	95 Å²	95	39.3 Å²	39.3	51%	0.508	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-26.2	178.3	-65.8	-34.9	0	0	0	111.2	K427	K427-D431 VanDerWaalsContact NZ-CG 3.26Å; K427-D431 IonicContact NZ-OD1 3.86Å; K427-D431 PolarHBondContact NZ-OD1 3.38Å; K427-D431 IonicContact NZ-OD2 3.59Å; K427-D431 PolarHBondContact NZ-OD2 2.8Å; K427-D431 VanDerWaalsContact O-CG 3.31Å; K427-D431 PolarHBondContact O-N 2.75Å
432	S	94.2	Very high	94.2	Very high	60 Å²	60	39.6 Å²	39.6	42%	0.42	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	18.3	173.2	64.9	0	0	0	0	114.7	A428 Y430 Q524	A428-S432 WeakPolarHBondContact O-CB 3.19Å; A428-S432 PolarHBondContact O-N 3.32Å; A428-S432 PolarHBondContact O-OG 2.96Å; Y430-S432 PolarHBondContact O-N 3.09Å; S432-Q524 PolarHBondContact O-NE2 2.93Å
433	A	95.8	Very high	94	Very high	16 Å²	16	41.2 Å²	41.2	13%	0.132	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.7	147.1	-177.8	0	0	0	0	0	113	R207 A429 Y430 L525 Y527	R207-A433 HydrophobicContact CG-CB 4.33Å; A429-A433 PolarHBondContact O-N 2.87Å; Y430-A433 WeakPolarHBondContact O-CB 3.48Å; Y430-A433 PolarHBondContact O-N 3.4Å; A433-L525 WeakPolarHBondContact CA-O 3.37Å; A433-L525 HydrophobicContact CB-CB 4.08Å; A433-Y527 HydrophobicContact CB-CD1 3.93Å; A433-Y527 HydrophobicContact CB-CE1 4.19Å
434	I	94.5	Very high	93.7	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.9	-177.1	-64.8	168.8	0	0	0	111.1	V436 R447 Q524 L525 V526 Y527	I434-V436 HydrophobicContact CG2-CG1 3.93Å; I434-V436 PolarHBondContact O-N 2.98Å; I434-R447 HydrophobicContact CG2-CB 3.99Å; I434-R447 HydrophobicContact CG2-CG 3.63Å; I434-Q524 VanDerWaalsContact CD1-CD 3.41Å; I434-Q524 HydrophobicContact CD1-CG 4.09Å; I434-Q524 VanDerWaalsContact CD1-OE1 3.29Å; I434-Q524 HydrophobicContact CG1-CG 4.25Å; I434-L525 PolarHBondContact N-O 2.98Å; I434-V526 HydrophobicContact CB-CG1 4.37Å; I434-V526 VanDerWaalsContact O-CA 3.27Å; I434-V526 WeakPolarHBondContact O-CA 3.47Å; I434-Y527 WeakPolarHBondContact O-CD1 3.29Å; I434-Y527 PolarHBondContact O-N 2.86Å
435	H	93.4	Very high	93.5	Very high	55 Å²	55	43.3 Å²	43.3	26%	0.255	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.8	165.9	-160.2	-171.4	0	0	0	110.5	I448 Y527 L528	H435-I448 HydrophobicContact CB-CD1 4.3Å; H435-I448 PolarHBondContact O-N 2.78Å; H435-Y527 WeakPolarHBondContact CA-O 3.29Å; H435-Y527 HydrophobicContact CB-CD2 4.36Å; H435-Y527 HydrophobicContact CB-CE1 4.02Å; H435-Y527 HydrophobicContact CB-CE2 3.7Å; H435-Y527 AromaticContact CD2-CD2 3.63Å; H435-Y527 AromaticContact CD2-CE2 3.48Å; H435-Y527 VanDerWaalsContact CD2-CE2 3.48Å; H435-Y527 WeakPolarHBondContact CD2-CE2 3.06Å; H435-Y527 PolarHBondContact CD2-O 3.22Å; H435-Y527 AromaticContact CG-CE2 3.53Å; H435-Y527 AromaticContact CG-CZ 3.91Å; H435-Y527 VanDerWaalsContact N-CE1 3.34Å; H435-L528 PolarHBondContact NE2-O 2.85Å
436	V	93.3	Very high	93.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.2	-179.6	-61.7	0	0	0	0	111.3	I434 L445 K446 I520 V526 Y527 L528	I434-V436 HydrophobicContact CG2-CG1 3.93Å; I434-V436 PolarHBondContact O-N 2.98Å; V436-L445 HydrophobicContact CB-CB 4.38Å; V436-L445 HydrophobicContact CG2-CB 4.27Å; V436-L445 HydrophobicContact CG2-CD1 4.29Å; V436-L445 HydrophobicContact CG2-CD2 4.25Å; V436-K446 CarbonylContact C-O 3.57Å; V436-K446 WeakPolarHBondContact CA-O 3.36Å; V436-K446 WeakPolarHBondContact CB-O 3.24Å; V436-I520 HydrophobicContact CG1-CD1 3.79Å; V436-I520 HydrophobicContact CG1-CG1 4.47Å; V436-V526 HydrophobicContact CG1-CB 3.93Å; V436-V526 HydrophobicContact CG1-CG1 3.9Å; V436-V526 HydrophobicContact CG2-CB 4Å; V436-V526 HydrophobicContact CG2-CG2 4.3Å; V436-Y527 WeakPolarHBondContact CG2-O 3.43Å; V436-Y527 PolarHBondContact N-O 3.26Å; V436-L528 HydrophobicContact CG2-CD2 4.06Å; V436-L528 HydrophobicContact CG2-CG 4.47Å
437	T	92.9	Very high	92.8	Very high	41 Å²	41	48.7 Å²	48.7	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	156.6	159.7	44	0	0	0	0	109.5	L445 K446 I448	T437-L445 CarbonylContact O-C 3.48Å; T437-L445 WeakPolarHBondContact O-CA 3.33Å; T437-K446 PolarHBondContact N-O 3.17Å; T437-K446 PolarHBondContact O-N 2.8Å; T437-I448 HydrophobicContact CG2-CD1 3.89Å; T437-I448 HydrophobicContact CG2-CG1 3.88Å
438	Y	92.6	Very high	92.2	Very high	7 Å²	7	50.1 Å²	50.1	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.1	167.2	164.6	-111.9	0	0	0	109.4	I370 K373 A374 L377 P440 D443 L445 W480	I370-Y438 HydrophobicContact CG2-CD1 3.94Å; I370-Y438 HydrophobicContact CG2-CE1 4Å; K373-Y438 HydrophobicContact CB-CE1 3.96Å; K373-Y438 HydrophobicContact CB-CE2 4.39Å; K373-Y438 WeakPolarHBondContact CB-OH 3.17Å; K373-Y438 WeakPolarHBondContact CE-OH 3.44Å; K373-Y438 PolarHBondContact NZ-OH 3.04Å; A374-Y438 VanDerWaalsContact CB-CB 3.5Å; A374-Y438 HydrophobicContact CB-CD1 3.71Å; A374-Y438 HydrophobicContact CB-CG 3.7Å; L377-Y438 HydrophobicContact CD1-CD2 3.77Å; L377-Y438 HydrophobicContact CD1-CE2 3.55Å; Y438-P440 HydrophobicContact CD1-CG 4.14Å; Y438-P440 HydrophobicContact CE1-CB 4.08Å; Y438-P440 HydrophobicContact CE1-CG 3.77Å; Y438-P440 WeakPolarHBondContact O-CD 3.4Å; Y438-D443 WeakPolarHBondContact CE2-OD1 3.14Å; Y438-D443 PolarHBondContact OH-OD1 2.79Å; Y438-L445 HydrophobicContact CD2-CD2 4.38Å; Y438-W480 AromaticContact CD1-CH2 3.93Å; Y438-W480 HydrophobicContact CD1-CH2 3.93Å; Y438-W480 HydrophobicContact CG-CH2 4.37Å
439	E	91.5	Very high	90.8	Very high	33 Å²	33	51 Å²	51	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.3	175.6	-175.3	175.2	-168.5	0	0	110.7	R441 I442 D443 Q444 K446	E439-R441 HydrophobicContact CG-CB 4.49Å; E439-R441 PolarHBondContact O-N 2.78Å; E439-R441 VanDerWaalsContact O-N 3.12Å; E439-I442 HydrophobicContact CB-CD1 4.24Å; E439-I442 HydrophobicContact CB-CG1 3.92Å; E439-I442 HydrophobicContact CG-CD1 4.46Å; E439-I442 HydrophobicContact CG-CG1 4.01Å; E439-I442 PolarHBondContact O-N 2.91Å; E439-I442 WeakPolarHBondContact OE2-CD1 3.02Å; E439-D443 PolarHBondContact O-N 2.73Å; E439-Q444 PolarHBondContact N-O 3.37Å; E439-K446 IonicContact OE2-NZ 2.8Å; E439-K446 PolarHBondContact OE2-NZ 2.81Å
440	P	89.9	Confident	89	Confident	44 Å²	44	57.5 Å²	57.5	29%	0.286	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.3	-173.2	-25.5	33.8	0	0	0	115.1	I370 Y438 I442	I370-P440 HydrophobicContact CD1-CB 4.49Å; I370-P440 HydrophobicContact CD1-CG 3.95Å; I370-P440 HydrophobicContact CG1-CB 4.31Å; I370-P440 HydrophobicContact CG1-CG 3.91Å; I370-P440 HydrophobicContact CG2-CG 3.96Å; Y438-P440 HydrophobicContact CD1-CG 4.14Å; Y438-P440 HydrophobicContact CE1-CB 4.08Å; Y438-P440 HydrophobicContact CE1-CG 3.77Å; Y438-P440 WeakPolarHBondContact O-CD 3.4Å; P440-I442 PolarHBondContact O-N 2.99Å
441	R	88.3	Confident	86.6	Confident	131 Å²	131	67.3 Å²	67.3	49%	0.494	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.2	-176.5	-55.4	-174.4	-159.8	145.6	6.3	113.9	E439	E439-R441 HydrophobicContact CG-CB 4.49Å; E439-R441 PolarHBondContact O-N 2.78Å; E439-R441 VanDerWaalsContact O-N 3.12Å
442	I	89.4	Confident	84.2	Confident	69 Å²	69	70.1 Å²	70.1	35%	0.354	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	0.3	-176.4	59.6	167	0	0	0	112.7	E439 P440 Q444 K446	E439-I442 HydrophobicContact CB-CD1 4.24Å; E439-I442 HydrophobicContact CB-CG1 3.92Å; E439-I442 HydrophobicContact CG-CD1 4.46Å; E439-I442 HydrophobicContact CG-CG1 4.01Å; E439-I442 PolarHBondContact O-N 2.91Å; E439-I442 WeakPolarHBondContact OE2-CD1 3.02Å; P440-I442 PolarHBondContact O-N 2.99Å; I442-Q444 VanDerWaalsContact C-N 3.34Å; I442-Q444 HydrophobicContact CD1-CB 3.88Å; I442-Q444 HydrophobicContact CD1-CG 4.45Å; I442-Q444 HydrophobicContact CG1-CB 4.03Å; I442-Q444 WeakPolarHBondContact O-CG 3.45Å; I442-Q444 PolarHBondContact O-N 3.35Å; I442-K446 HydrophobicContact CD1-CD 4.29Å; I442-K446 VanDerWaalsContact CD1-CE 3.45Å; I442-K446 VanDerWaalsContact CD1-NZ 3.32Å
443	D	90.5	Very high	81.3	Confident	35 Å²	35	72.7 Å²	72.7	19%	0.187	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.2	-176.2	-160.7	51.5	0	0	0	114.4	R282 K373 L377 Y438 E439	R282-D443 IonicContact CZ-OD2 3.39Å; R282-D443 VanDerWaalsContact CZ-OD2 3.32Å; R282-D443 IonicContact NE-OD2 2.73Å; R282-D443 PolarHBondContact NE-OD2 3.18Å; R282-D443 VanDerWaalsContact NE-OD2 3.15Å; R282-D443 IonicContact NH2-OD2 3.08Å; R282-D443 PolarHBondContact NH2-OD2 3.39Å; K373-D443 WeakPolarHBondContact CE-OD1 3.23Å; K373-D443 IonicContact NZ-OD1 3.42Å; K373-D443 PolarHBondContact NZ-OD1 2.93Å; L377-D443 WeakPolarHBondContact CD1-O 3.09Å; Y438-D443 WeakPolarHBondContact CE2-OD1 3.14Å; Y438-D443 PolarHBondContact OH-OD1 2.79Å; E439-D443 PolarHBondContact O-N 2.73Å
444	Q	91.8	Very high	78.1	Confident	112 Å²	112	77.8 Å²	77.8	52%	0.523	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.3	-176.1	-71.3	173	22.5	0	0	113.4	E439 I442	E439-Q444 PolarHBondContact N-O 3.37Å; I442-Q444 VanDerWaalsContact C-N 3.34Å; I442-Q444 HydrophobicContact CD1-CB 3.88Å; I442-Q444 HydrophobicContact CD1-CG 4.45Å; I442-Q444 HydrophobicContact CG1-CB 4.03Å; I442-Q444 WeakPolarHBondContact O-CG 3.45Å; I442-Q444 PolarHBondContact O-N 3.35Å
445	L	92.4	Very high	75	Confident	24 Å²	24	83.7 Å²	83.7	13%	0.126	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.9	166	-56.2	178.2	0	0	0	109.9	L377 M378 V436 T437 Y438 I520 V526 L528	L377-L445 HydrophobicContact CB-CD1 4.24Å; L377-L445 HydrophobicContact CB-CD2 4.2Å; L377-L445 HydrophobicContact CB-CG 4.1Å; M378-L445 HydrophobicContact CB-CD1 4.48Å; V436-L445 HydrophobicContact CB-CB 4.38Å; V436-L445 HydrophobicContact CG2-CB 4.27Å; V436-L445 HydrophobicContact CG2-CD1 4.29Å; V436-L445 HydrophobicContact CG2-CD2 4.25Å; T437-L445 CarbonylContact O-C 3.48Å; T437-L445 WeakPolarHBondContact O-CA 3.33Å; Y438-L445 HydrophobicContact CD2-CD2 4.38Å; L445-I520 HydrophobicContact CB-CD1 3.77Å; L445-I520 WeakPolarHBondContact O-CD1 3.42Å; L445-V526 HydrophobicContact CD1-CG2 4Å; L445-L528 HydrophobicContact CD2-CD2 4.19Å
446	K	90.3	Very high	72.3	Confident	39 Å²	39	89.2 Å²	89.2	17%	0.17	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.3	174.7	-80.3	-179.6	168.7	166.8	0	110.3	V436 T437 E439 I442 I448 M514	V436-K446 CarbonylContact C-O 3.57Å; V436-K446 WeakPolarHBondContact CA-O 3.36Å; V436-K446 WeakPolarHBondContact CB-O 3.24Å; T437-K446 PolarHBondContact N-O 3.17Å; T437-K446 PolarHBondContact O-N 2.8Å; E439-K446 IonicContact OE2-NZ 2.8Å; E439-K446 PolarHBondContact OE2-NZ 2.81Å; I442-K446 HydrophobicContact CD1-CD 4.29Å; I442-K446 VanDerWaalsContact CD1-CE 3.45Å; I442-K446 VanDerWaalsContact CD1-NZ 3.32Å; K446-I448 PolarHBondContact O-N 3.44Å; K446-M514 HydrophobicContact CD-CE 4.38Å; K446-M514 PolarHBondContact NZ-SD 3.24Å
447	R	88.9	Confident	69.4	Low	134 Å²	134	96.3 Å²	96.3	51%	0.506	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.7	173.1	172.1	170.7	-171.6	-178.2	3	110.2	I434 S449	I434-R447 HydrophobicContact CG2-CB 3.99Å; I434-R447 HydrophobicContact CG2-CG 3.63Å; R447-S449 PolarHBondContact O-N 3.16Å
448	I	83.7	Confident	66.4	Low	55 Å²	55	101.5 Å²	101.5	28%	0.282	51%	0.509	S	S	.	.			trans	-67.9	130.5	169.9	-57	177.4	0	0	0	108.7	H435 T437 K446	H435-I448 HydrophobicContact CB-CD1 4.3Å; H435-I448 PolarHBondContact O-N 2.78Å; T437-I448 HydrophobicContact CG2-CD1 3.89Å; T437-I448 HydrophobicContact CG2-CG1 3.88Å; K446-I448 PolarHBondContact O-N 3.44Å
449	S	66.2	Low	63.6	Low	76 Å²	76	106.9 Å²	106.9	53%	0.531	54%	0.538	S	S	.	.			trans	-109.5	107.5	179.6	59.4	0	0	0	0	110.6	R447 R451	R447-S449 PolarHBondContact O-N 3.16Å; S449-R451 PolarHBondContact O-N 2.87Å
450	N	58.3	Low	60.6	Low	152 Å²	152	115.5 Å²	115.5	81%	0.813	57%	0.57	S	S	*	*			trans	-72.4	31.6	-179.6	-58.1	18.8	0	0	0	113.3	I452	N450-I452 VanDerWaalsContact C-N 3.31Å; N450-I452 PolarHBondContact O-N 3.04Å; N450-I452 VanDerWaalsContact O-N 3.14Å
451	R	46.7	Very low	57.7	Low	227 Å²	227	120.8 Å²	120.8	86%	0.857	59%	0.593	S	S	*	*			trans	-86.1	72.1	176.3	-73.3	-170	175.3	-171.7	-2.8	110.3	S449	S449-R451 PolarHBondContact O-N 2.87Å
452	I	44	Very low	55.1	Low	154 Å²	154	120 Å²	120	79%	0.79	60%	0.603	S	S	*	*	S	Bend	trans	-111.3	105.7	160.6	-63.2	177.8	0	0	0	106.5	N450	N450-I452 VanDerWaalsContact C-N 3.31Å; N450-I452 PolarHBondContact O-N 3.04Å; N450-I452 VanDerWaalsContact O-N 3.14Å
453	N	32.9	Very low	52.8	Low	113 Å²	113	128.4 Å²	128.4	60%	0.604	63%	0.63	S	S	*	*			trans	31.4	86.5	171.8	-63.5	5.5	0	0	0	118.3	N455	N453-N455 PolarHBondContact O-N 2.87Å
454	S	29.3	Very low	50.5	Low	123 Å²	123	137.7 Å²	137.7	86%	0.86	66%	0.663	S	S	*	*	S	Bend	trans	-83.5	31.7	150.9	68.2	0	0	0	0	111.8
455	N	29.4	Very low	47.6	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	66%	0.664	S	S	*	*			trans	-156.8	86.9	-174.5	-107.4	-1.2	0	0	0	109.6	N453	N453-N455 PolarHBondContact O-N 2.87Å
456	Q	36.9	Very low	44.9	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	69%	0.692	S	S	*	*			trans	-154.9	113.4	155.5	-118.3	168.6	-8.5	0	0	107.3
457	N	32.2	Very low	42.1	Very low	150 Å²	150	146.3 Å²	146.3	80%	0.802	72%	0.72	S	S	*	*			trans	-71	158.2	-173.4	-69.8	-18.6	0	0	0	111.8	N459	N457-N459 PolarHBondContact O-N 3.3Å
458	N	29.4	Very low	39.3	Very low	150 Å²	150	145.4 Å²	145.4	80%	0.802	73%	0.729	S	S	*	*			trans	-12.2	111	157.4	-54.4	-11.4	0	0	0	114.6
459	N	32.6	Very low	36.9	Very low	120 Å²	120	149.1 Å²	149.1	64%	0.642	75%	0.754	S	S	*	*			trans	-179.9	126.2	131.4	-89.8	-20.5	0	0	0	111.2	N457 M461	N457-N459 PolarHBondContact O-N 3.3Å; N459-M461 PolarHBondContact O-N 2.84Å
460	Y	29.8	Very low	35	Very low	214 Å²	214	149.6 Å²	149.6	84%	0.839	76%	0.757	S	S	*	*			trans	23.4	89.9	158	-32.5	-71.7	0	0	0	117.9
461	M	28.5	Very low	33.6	Very low	154 Å²	154	147.5 Å²	147.5	76%	0.759	75%	0.752	S	S	*	*			trans	-124	127.9	157.5	-81.5	-148.4	166.8	0	0	112	N459 N465	N459-M461 PolarHBondContact O-N 2.84Å; M461-N465 HydrophobicContact SD-CB 4.07Å; M461-N465 PolarHBondContact SD-ND2 3.16Å; M461-N465 VanDerWaalsContact SD-ND2 3.4Å
462	T	33.8	Very low	32.7	Very low	114 Å²	114	142.5 Å²	142.5	70%	0.699	74%	0.742	S	S	*	*			trans	-83	168.7	-178.3	55.6	0	0	0	0	111.8	R464	T462-R464 PolarHBondContact O-N 3.27Å
463	R	41.4	Very low	32.1	Very low	246 Å²	246	146 Å²	146	93%	0.928	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	12.6	-166.3	-146.2	-177.8	-168.8	-175.6	4.3	117.1
464	R	41.2	Very low	32	Very low	231 Å²	231	147.7 Å²	147.7	87%	0.872	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-11	-176.4	-73.6	-177.6	172.2	165.8	-1.8	115	T462	T462-R464 PolarHBondContact O-N 3.27Å
465	N	32.5	Very low	32.1	Very low	105 Å²	105	149.9 Å²	149.9	56%	0.561	75%	0.751	S	S	*	*			trans	-109.4	22.4	-169.1	-70.2	-1.6	0	0	0	115.7	M461	M461-N465 HydrophobicContact SD-CB 4.07Å; M461-N465 PolarHBondContact SD-ND2 3.16Å; M461-N465 VanDerWaalsContact SD-ND2 3.4Å
466	L	35.2	Very low	32.3	Very low	134 Å²	134	148.2 Å²	148.2	70%	0.702	74%	0.742	S	S	*	*	S	Bend	trans	-81.9	138.7	168.3	-81.6	89.1	0	0	0	110.8	V468	L466-V468 PolarHBondContact O-N 2.97Å
467	P	30.4	Very low	32.4	Very low	116 Å²	116	143.4 Å²	143.4	75%	0.753	73%	0.727	S	S	*	*			trans	-68	104.4	167.4	29	-32.3	0	0	0	108.9	V469	P467-V469 PolarHBondContact O-N 3.19Å
468	V	30.5	Very low	32.9	Very low	116 Å²	116	143.3 Å²	143.3	70%	0.703	72%	0.715	S	S	*	*			trans	-68.8	96.4	178.6	-177.4	0	0	0	0	109.2	L466 S470	L466-V468 PolarHBondContact O-N 2.97Å; V468-S470 PolarHBondContact O-N 3.47Å
469	V	33.8	Very low	33.3	Very low	133 Å²	133	141.8 Å²	141.8	81%	0.806	71%	0.707	S	S	*	*			trans	-69.9	83.7	159.6	-178.7	0	0	0	0	106.4	P467 P471	P467-V469 PolarHBondContact O-N 3.19Å; V469-P471 VanDerWaalsContact O-CD 3.25Å; V469-P471 WeakPolarHBondContact O-CD 3.16Å; V469-P471 VanDerWaalsContact O-N 3.11Å
470	S	26.2	Very low	33.9	Very low	85 Å²	85	138.1 Å²	138.1	59%	0.594	68%	0.684	S	S	*	*			trans	-56.1	116.8	-179	-66.8	0	0	0	0	109.7	V468 N472	V468-S470 PolarHBondContact O-N 3.47Å; S470-N472 PolarHBondContact O-N 3.36Å
471	P	29.3	Very low	34.3	Very low	108 Å²	108	129.4 Å²	129.4	70%	0.701	65%	0.652	S	S	*	*			trans	-79.5	59.2	178.2	35	-35.4	0	0	0	109.1	V469 R473	V469-P471 VanDerWaalsContact O-CD 3.25Å; V469-P471 WeakPolarHBondContact O-CD 3.16Å; V469-P471 VanDerWaalsContact O-N 3.11Å; P471-R473 PolarHBondContact O-N 2.79Å
472	N	28.2	Very low	34.8	Very low	122 Å²	122	127.3 Å²	127.3	65%	0.652	65%	0.648	S	S	*	*			trans	-76.8	80.7	-179.6	-159.8	14.9	0	0	0	108.7	S470 N474	S470-N472 PolarHBondContact O-N 3.36Å; N472-N474 PolarHBondContact O-N 2.86Å
473	R	30	Very low	34.8	Very low	227 Å²	227	128.3 Å²	128.3	86%	0.857	65%	0.648	S	S	*	*	S	Bend	trans	-66.6	65.8	-179.2	-67.2	174	173.2	-177	-3.2	111.2	P471	P471-R473 PolarHBondContact O-N 2.79Å
474	N	31	Very low	34.4	Very low	150 Å²	150	122.6 Å²	122.6	80%	0.802	64%	0.635	S	S	*	*	S	Bend	trans	175.8	71.3	160.8	-90.9	-21.1	0	0	0	110	N472	N472-N474 PolarHBondContact O-N 2.86Å
475	H	32.1	Very low	34	Very low	169 Å²	169	120 Å²	120	78%	0.782	63%	0.63	S	S	*	*	S	Bend	trans	-151.9	144.4	165.4	-111.5	-74.1	0	0	0	112.7	S477	H475-S477 PolarHBondContact O-N 3.3Å
476	D	34.1	Very low	34	Very low	97 Å²	97	120.3 Å²	120.3	52%	0.519	64%	0.64	S	S	.	*			trans	-41.4	121.5	-175.7	-119	-34.4	0	0	0	114.9	R478	D476-R478 HydrophobicContact CB-CG 4.43Å; D476-R478 PolarHBondContact O-N 3.07Å; D476-R478 IonicContact OD1-CZ 3.26Å; D476-R478 VanDerWaalsContact OD1-CZ 3.26Å; D476-R478 IonicContact OD1-NE 2.72Å; D476-R478 PolarHBondContact OD1-NE 2.77Å; D476-R478 IonicContact OD1-NH2 2.91Å; D476-R478 PolarHBondContact OD1-NH2 2.03Å; D476-R478 IonicContact OD2-CZ 3.37Å; D476-R478 IonicContact OD2-NE 3.2Å; D476-R478 PolarHBondContact OD2-NE 3.17Å; D476-R478 IonicContact OD2-NH2 3.01Å; D476-R478 PolarHBondContact OD2-NH2 3.22Å
477	S	39.3	Very low	33.8	Very low	70 Å²	70	121.3 Å²	121.3	49%	0.49	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.8	18.6	-179.1	67.5	0	0	0	0	114.6	R204 H475	R204-S477 PolarHBondContact NH2-OG 2.68Å; H475-S477 PolarHBondContact O-N 3.3Å
478	R	41.1	Very low	34	Very low	148 Å²	148	121.1 Å²	121.1	56%	0.558	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-9.3	-169.8	-61.5	-173.4	-139.8	-164.6	11.3	114.1	Q371 D476 W480	Q371-R478 PolarHBondContact NE2-O 3.21Å; D476-R478 HydrophobicContact CB-CG 4.43Å; D476-R478 PolarHBondContact O-N 3.07Å; D476-R478 IonicContact OD1-CZ 3.26Å; D476-R478 VanDerWaalsContact OD1-CZ 3.26Å; D476-R478 IonicContact OD1-NE 2.72Å; D476-R478 PolarHBondContact OD1-NE 2.77Å; D476-R478 IonicContact OD1-NH2 2.91Å; D476-R478 PolarHBondContact OD1-NH2 2.03Å; D476-R478 IonicContact OD2-CZ 3.37Å; D476-R478 IonicContact OD2-NE 3.2Å; D476-R478 PolarHBondContact OD2-NE 3.17Å; D476-R478 IonicContact OD2-NH2 3.01Å; D476-R478 PolarHBondContact OD2-NH2 3.22Å; R478-W480 PolarHBondContact O-N 2.78Å
479	N	38.4	Very low	34	Very low	118 Å²	118	122.9 Å²	122.9	63%	0.631	65%	0.648	S	S	*	*			trans	-100.4	45.2	-164.9	-158.9	38.9	0	0	0	114.3	L481	N479-L481 PolarHBondContact O-N 2.59Å
480	W	44.4	Very low	34	Very low	43 Å²	43	124.8 Å²	124.8	16%	0.163	65%	0.653	C	S	.	*			trans	-70.1	-10.9	174.4	67.7	-101.8	0	0	0	113.3	I370 A374 Y438 R478 V482	I370-W480 HydrophobicContact CG2-CH2 3.81Å; I370-W480 HydrophobicContact CG2-CZ2 3.89Å; A374-W480 HydrophobicContact CB-CH2 4.23Å; A374-W480 HydrophobicContact CB-CZ2 3.76Å; Y438-W480 AromaticContact CD1-CH2 3.93Å; Y438-W480 HydrophobicContact CD1-CH2 3.93Å; Y438-W480 HydrophobicContact CG-CH2 4.37Å; R478-W480 PolarHBondContact O-N 2.78Å; W480-V482 PolarHBondContact O-N 2.78Å; W480-V482 VanDerWaalsContact O-N 3.08Å
481	L	38.4	Very low	34.3	Very low	31 Å²	31	126.4 Å²	126.4	16%	0.162	67%	0.665	C	S	.	*	S	Bend	trans	-66	107.7	174.7	-80.9	86.2	0	0	0	110.9	L367 I370 N479 L483	L367-L481 HydrophobicContact CD2-CD1 4.04Å; L367-L481 HydrophobicContact CD2-CD2 3.56Å; L367-L481 HydrophobicContact CD2-CG 4.35Å; I370-L481 HydrophobicContact CD1-CD2 4.03Å; I370-L481 HydrophobicContact CG2-CD1 4.06Å; I370-L481 HydrophobicContact CG2-CD2 4.02Å; I370-L481 HydrophobicContact CG2-CG 4.21Å; N479-L481 PolarHBondContact O-N 2.59Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 3.18Å
482	V	39.4	Very low	34.5	Very low	111 Å²	111	126.4 Å²	126.4	67%	0.673	67%	0.667	S	S	*	*			trans	-69.5	86	176.8	-171.6	0	0	0	0	110.9	W480 I484	W480-V482 PolarHBondContact O-N 2.78Å; W480-V482 VanDerWaalsContact O-N 3.08Å; V482-I484 HydrophobicContact CG1-CG1 3.89Å; V482-I484 PolarHBondContact O-N 3.41Å; V482-I484 VanDerWaalsContact O-N 3.08Å
483	L	34.5	Very low	34.7	Very low	135 Å²	135	129 Å²	129	71%	0.707	67%	0.673	S	S	*	*			trans	-73.7	89.4	164.3	-73	174	0	0	0	109.2	L481 K485	L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 3.18Å; L483-K485 PolarHBondContact O-N 3.47Å
484	I	33.2	Very low	34.8	Very low	126 Å²	126	124 Å²	124	65%	0.646	66%	0.663	S	S	*	*			trans	-60.8	103.2	178	-55	174.8	0	0	0	109.7	V482 S486	V482-I484 HydrophobicContact CG1-CG1 3.89Å; V482-I484 PolarHBondContact O-N 3.41Å; V482-I484 VanDerWaalsContact O-N 3.08Å; I484-S486 PolarHBondContact O-N 3.09Å
485	K	31.2	Very low	34.7	Very low	177 Å²	177	123.7 Å²	123.7	77%	0.77	66%	0.661	S	S	*	*			trans	-74.9	108.4	164.5	-80.8	-174.2	173.6	-176.9	0	109	L483 H487	L483-K485 PolarHBondContact O-N 3.47Å; K485-H487 PolarHBondContact O-N 3.47Å
486	S	32.4	Very low	34.5	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	66%	0.661	S	S	*	*			trans	-76.9	102.4	163.7	53.6	0	0	0	0	109.3	I484 S488	I484-S486 PolarHBondContact O-N 3.09Å; S486-S488 PolarHBondContact O-N 2.89Å
487	H	32.4	Very low	34.1	Very low	155 Å²	155	127.4 Å²	127.4	72%	0.718	67%	0.672	S	S	*	*			trans	-72	111.6	165.8	-85.3	-97	0	0	0	109	K485	K485-H487 PolarHBondContact O-N 3.47Å
488	S	34.3	Very low	33.6	Very low	112 Å²	112	132 Å²	132	78%	0.783	69%	0.691	S	S	*	*			trans	-75.2	120.4	160.5	49.8	0	0	0	0	108.3	S486 N490	S486-S488 PolarHBondContact O-N 2.89Å; S488-N490 PolarHBondContact O-N 2.95Å
489	N	29.8	Very low	32.9	Very low	153 Å²	153	135 Å²	135	82%	0.818	70%	0.704	S	S	*	*			trans	-61.7	124.1	171.7	-70.4	-15.9	0	0	0	109.6
490	N	34.8	Very low	32.4	Very low	172 Å²	172	133.8 Å²	133.8	92%	0.92	70%	0.704	S	S	*	*			trans	-154.7	135.9	141.4	-103	-14.7	0	0	0	108.4	S488	S488-N490 PolarHBondContact O-N 2.95Å
491	S	32.4	Very low	31.7	Very low	120 Å²	120	139 Å²	139	84%	0.839	74%	0.735	S	S	*	*			trans	-115.9	106.7	-174.1	157.4	0	0	0	0	109.7
492	S	33.7	Very low	31.2	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	77%	0.766	S	S	*	*			trans	-172.7	135.9	137.3	44.8	0	0	0	0	112.4
493	K	31.5	Very low	30.7	Very low	176 Å²	176	142.6 Å²	142.6	77%	0.765	77%	0.767	S	S	*	*			trans	54.9	121.8	133.4	-71.5	-166.8	155.1	-146.7	0	122.4
494	D	32.3	Very low	30.4	Very low	124 Å²	124	147.9 Å²	147.9	66%	0.663	78%	0.778	S	S	*	*				75.4	107.5	123.1	-47.1	-12.3	0	0	0	119.3
495	D	29.9	Very low	30.2	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	79%	0.787	S	S	*	*			trans	74.1	136.2	137.5	-93.4	17.9	0	0	0	124.9
496	W	26.6	Very low	30	Very low	204 Å²	204	149.5 Å²	149.5	77%	0.773	79%	0.789	S	S	*	*			trans	44.1	132.5	159.6	-60.4	99.9	0	0	0	123.7
497	N	26.3	Very low	29.8	Very low	141 Å²	141	156 Å²	156	75%	0.754	80%	0.797	S	S	*	*			trans	25.9	115	145.3	-60.7	-12.6	0	0	0	119.9
498	D	28.9	Very low	29.5	Very low	165 Å²	165	159.1 Å²	159.1	88%	0.882	80%	0.802	S	S	*	*				-152.2	164.7	112.3	-151.9	-0.8	0	0	0	112.9
499	Y	25.4	Very low	29	Very low	212 Å²	212	162.8 Å²	162.8	83%	0.831	80%	0.799	S	S	*	*			trans	-78.1	154.7	173.7	-114.7	-114.2	0	0	0	112.4
500	S	28.1	Very low	28.9	Very low	92 Å²	92	159.2 Å²	159.2	64%	0.643	79%	0.785	S	S	*	*			trans	50.2	102.4	150.4	177.5	0	0	0	0	118.8
501	N	31.1	Very low	28.9	Very low	152 Å²	152	162.6 Å²	162.6	81%	0.813	78%	0.784	S	S	*	*				-152.9	167.1	121.8	-120.4	-55.7	0	0	0	117
502	N	27.9	Very low	29	Very low	152 Å²	152	161.7 Å²	161.7	81%	0.813	77%	0.774	S	S	*	*			trans	-77.5	117.8	-163.2	-68.9	-90.2	0	0	0	114.3
503	G	28.5	Very low	28.9	Very low	67 Å²	67	163.1 Å²	163.1	69%	0.691	78%	0.778	S	S	*	*			trans	-116.2	111.5	173.4	0	0	0	0	0	113.9	L505	G503-L505 PolarHBondContact O-N 2.95Å
504	R	28.1	Very low	28.9	Very low	245 Å²	245	160.5 Å²	160.5	93%	0.925	77%	0.77	S	S	*	*			trans	-73.5	76.5	177.8	-77.3	177.7	165.6	174.5	-4.5	113	Q506	R504-Q506 PolarHBondContact O-N 3.47Å
505	L	28.3	Very low	29.3	Very low	159 Å²	159	159.3 Å²	159.3	83%	0.832	77%	0.767	S	S	*	*			trans	-91.9	95.3	172.1	-76.3	166.4	0	0	0	111.9	G503 R507	G503-L505 PolarHBondContact O-N 2.95Å; L505-R507 PolarHBondContact O-N 2.82Å; L505-R507 VanDerWaalsContact O-N 3.16Å
506	Q	27.8	Very low	29.8	Very low	178 Å²	178	162.8 Å²	162.8	83%	0.832	78%	0.775	S	S	*	*			trans	-59.6	114.5	167.9	-72.7	-174	-6.9	0	0	109.8	R504 R508	R504-Q506 PolarHBondContact O-N 3.47Å; Q506-R508 PolarHBondContact O-N 3.32Å
507	R	27.4	Very low	31	Very low	247 Å²	247	155.8 Å²	155.8	93%	0.932	76%	0.758	S	S	*	*			trans	-74.9	68.1	178.1	-63	-173.1	-174.8	-178	2.4	111.7	L505 W509	L505-R507 PolarHBondContact O-N 2.82Å; L505-R507 VanDerWaalsContact O-N 3.16Å; R507-W509 PolarHBondContact O-N 2.8Å
508	R	26.3	Very low	33	Very low	221 Å²	221	157.3 Å²	157.3	83%	0.834	76%	0.758	S	S	*	*			trans	-74.7	110	174.6	-157.6	177.9	-163.1	-172.1	6.2	108.5	Q506	Q506-R508 PolarHBondContact O-N 3.32Å
509	W	24.4	Very low	35.4	Very low	190 Å²	190	155.7 Å²	155.7	72%	0.72	75%	0.745	S	S	*	*			trans	-51.8	127.5	177.8	-75.8	112.4	0	0	0	111.4	R507 R511	R507-W509 PolarHBondContact O-N 2.8Å; W509-R511 PolarHBondContact O-N 2.82Å
510	P	28.1	Very low	38.4	Very low	78 Å²	78	146.6 Å²	146.6	51%	0.506	71%	0.71	S	S	.	*			trans	-60.9	134.3	177.1	-25.9	35.1	0	0	0	112.5	T512	P510-T512 VanDerWaalsContact C-N 3.31Å; P510-T512 PolarHBondContact O-N 2.83Å
511	R	33.8	Very low	41.5	Very low	243 Å²	243	144.8 Å²	144.8	92%	0.917	70%	0.696	S	S	*	*			trans	-91	62.6	159.9	-62.3	-172.1	-167.4	179.2	3.7	109.1	W509	W509-R511 PolarHBondContact O-N 2.82Å
512	T	34.3	Very low	44.3	Very low	100 Å²	100	142.4 Å²	142.4	61%	0.613	68%	0.679	S	S	*	*			trans	-65.5	138.2	169.7	25.2	0	0	0	0	109.7	P510 M514	P510-T512 VanDerWaalsContact C-N 3.31Å; P510-T512 PolarHBondContact O-N 2.83Å; T512-M514 PolarHBondContact O-N 2.79Å; T512-M514 VanDerWaalsContact O-N 3.11Å
513	V	32.4	Very low	47.1	Very low	138 Å²	138	137.6 Å²	137.6	84%	0.836	65%	0.653	S	S	*	*			trans	-61.6	113.6	-166.9	179.1	0	0	0	0	110.8	T515	V513-T515 PolarHBondContact O-N 3.17Å; V513-T515 VanDerWaalsContact O-N 3.17Å
514	M	32.1	Very low	50.2	Low	120 Å²	120	136.8 Å²	136.8	59%	0.591	63%	0.631	S	S	*	*			trans	-76.8	104.6	176.7	-59.2	-149.4	114.9	0	0	109.9	K446 T512	K446-M514 HydrophobicContact CD-CE 4.38Å; K446-M514 PolarHBondContact NZ-SD 3.24Å; T512-M514 PolarHBondContact O-N 2.79Å; T512-M514 VanDerWaalsContact O-N 3.11Å
515	T	39.3	Very low	53.5	Low	100 Å²	100	125.2 Å²	125.2	61%	0.613	59%	0.587	S	S	*	*			trans	-60.1	144.5	161.8	60.8	0	0	0	0	109.1	V513 S517	V513-T515 PolarHBondContact O-N 3.17Å; V513-T515 VanDerWaalsContact O-N 3.17Å; T515-S517 VanDerWaalsContact C-N 3.3Å; T515-S517 PolarHBondContact O-N 3.25Å
516	K	40.2	Very low	56.7	Low	214 Å²	214	117.6 Å²	117.6	93%	0.93	55%	0.548	S	S	*	.			trans	-70.2	81.9	-171.7	-167.8	174.9	-176.3	176.4	0	110.9	K518	K516-K518 PolarHBondContact O-N 3.42Å
517	S	53.1	Low	60	Low	57 Å²	57	110.9 Å²	110.9	40%	0.399	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-55.3	118.1	-180	58.3	0	0	0	0	110.3	T515 E519	T515-S517 VanDerWaalsContact C-N 3.3Å; T515-S517 PolarHBondContact O-N 3.25Å; S517-E519 PolarHBondContact O-N 2.79Å
518	K	67.1	Low	63.2	Low	174 Å²	174	99.4 Å²	99.4	76%	0.757	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-53.5	128.4	178.9	-172.4	173.9	-176.6	175.3	0	109.6	K516 I520	K516-K518 PolarHBondContact O-N 3.42Å; K518-I520 PolarHBondContact O-N 2.86Å
519	E	80.9	Confident	66.2	Low	130 Å²	130	90.4 Å²	90.4	61%	0.607	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-51.4	135.7	-178.4	-163.2	-160.7	158.5	0	0	110.3	S517 P521 K522	S517-E519 PolarHBondContact O-N 2.79Å; E519-P521 VanDerWaalsContact O-CD 3.3Å; E519-P521 WeakPolarHBondContact O-CD 3.27Å; E519-K522 WeakPolarHBondContact OE1-CE 3.37Å; E519-K522 IonicContact OE1-NZ 2.66Å; E519-K522 PolarHBondContact OE1-NZ 3.42Å; E519-K522 IonicContact OE2-NZ 2.85Å; E519-K522 PolarHBondContact OE2-NZ 2.88Å
520	I	88.1	Confident	69.5	Low	22 Å²	22	88.5 Å²	88.5	11%	0.113	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-58.8	120.5	178.3	-63.7	170.1	0	0	0	108.5	V436 L445 K518 K522 V526	V436-I520 HydrophobicContact CG1-CD1 3.79Å; V436-I520 HydrophobicContact CG1-CG1 4.47Å; L445-I520 HydrophobicContact CB-CD1 3.77Å; L445-I520 WeakPolarHBondContact O-CD1 3.42Å; K518-I520 PolarHBondContact O-N 2.86Å; I520-K522 PolarHBondContact O-N 2.9Å; I520-V526 HydrophobicContact CG2-CG1 3.49Å; I520-V526 VanDerWaalsContact CG2-CG1 3.49Å
521	P	91.5	Very high	72.5	Confident	53 Å²	53	86.3 Å²	86.3	34%	0.344	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-59.8	126.6	-176	-29.4	39.4	0	0	0	112.1	E519 N523 Q524	E519-P521 VanDerWaalsContact O-CD 3.3Å; E519-P521 WeakPolarHBondContact O-CD 3.27Å; P521-N523 PolarHBondContact O-N 2.85Å; P521-Q524 HydrophobicContact CB-CB 4.03Å; P521-Q524 VanDerWaalsContact CG-OE1 3.32Å; P521-Q524 PolarHBondContact O-N 3.45Å
522	K	90.9	Very high	75.2	Confident	103 Å²	103	76.2 Å²	76.2	45%	0.448	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	4.5	-173.3	-79.8	163.5	175.5	126.7	0	116.1	R388 E519 I520	R388-K522 WeakPolarHBondContact CD-O 3.26Å; R388-K522 VanDerWaalsContact NH1-CB 3.33Å; R388-K522 PolarHBondContact NH1-O 2.91Å; E519-K522 WeakPolarHBondContact OE1-CE 3.37Å; E519-K522 IonicContact OE1-NZ 2.66Å; E519-K522 PolarHBondContact OE1-NZ 3.42Å; E519-K522 IonicContact OE2-NZ 2.85Å; E519-K522 PolarHBondContact OE2-NZ 2.88Å; I520-K522 PolarHBondContact O-N 2.9Å
523	N	87	Confident	77.9	Confident	51 Å²	51	76.2 Å²	76.2	27%	0.273	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-14	-178.5	-93.2	52.3	0	0	0	113.6	K392 P521	K392-N523 WeakPolarHBondContact CD-ND2 3.33Å; K392-N523 WeakPolarHBondContact CE-OD1 3.47Å; K392-N523 PolarHBondContact NZ-ND2 2.04Å; K392-N523 PolarHBondContact NZ-OD1 3.04Å; P521-N523 PolarHBondContact O-N 2.85Å
524	Q	93.1	Very high	80.7	Confident	50 Å²	50	70.2 Å²	70.2	23%	0.234	35%	0.35	C	S	.	.	S	Bend	trans	-100.1	144	-168.2	-171.4	166.1	11.4	0	0	110.1	H381 S432 I434 P521	H381-Q524 PolarHBondContact NE2-O 3.07Å; S432-Q524 PolarHBondContact O-NE2 2.93Å; I434-Q524 VanDerWaalsContact CD1-CD 3.41Å; I434-Q524 HydrophobicContact CD1-CG 4.09Å; I434-Q524 VanDerWaalsContact CD1-OE1 3.29Å; I434-Q524 HydrophobicContact CG1-CG 4.25Å; P521-Q524 HydrophobicContact CB-CB 4.03Å; P521-Q524 VanDerWaalsContact CG-OE1 3.32Å; P521-Q524 PolarHBondContact O-N 3.45Å
525	L	96.9	Very high	83.5	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.329	C	S	.	.			trans	-76.2	151.3	-179.8	-57.7	-177	0	0	0	111.3	A210 S214 N382 A385 A429 A433 I434	A210-L525 HydrophobicContact CB-CB 4.15Å; S214-L525 WeakPolarHBondContact OG-CD2 3.32Å; N382-L525 HydrophobicContact CB-CD2 4.28Å; N382-L525 WeakPolarHBondContact OD1-CA 3.49Å; A385-L525 HydrophobicContact CB-CD2 4.1Å; A429-L525 HydrophobicContact CB-CD1 4.29Å; A429-L525 HydrophobicContact CB-CG 4.05Å; A433-L525 WeakPolarHBondContact CA-O 3.37Å; A433-L525 HydrophobicContact CB-CB 4.08Å; I434-L525 PolarHBondContact N-O 2.98Å
526	V	96.9	Very high	85.9	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.7	178.2	-58.8	0	0	0	0	111.9	A210 M378 H381 N382 I434 V436 L445 I520	A210-V526 WeakPolarHBondContact CB-O 3.49Å; M378-V526 HydrophobicContact CG-CG2 4.12Å; M378-V526 WeakPolarHBondContact CG-O 3.42Å; H381-V526 HydrophobicContact CB-CG2 4.3Å; N382-V526 PolarHBondContact ND2-O 3.22Å; N382-V526 PolarHBondContact OD1-N 2.93Å; N382-V526 PolarHBondContact OD1-O 3.44Å; I434-V526 HydrophobicContact CB-CG1 4.37Å; I434-V526 VanDerWaalsContact O-CA 3.27Å; I434-V526 WeakPolarHBondContact O-CA 3.47Å; V436-V526 HydrophobicContact CG1-CB 3.93Å; V436-V526 HydrophobicContact CG1-CG1 3.9Å; V436-V526 HydrophobicContact CG2-CB 4Å; V436-V526 HydrophobicContact CG2-CG2 4.3Å; L445-V526 HydrophobicContact CD1-CG2 4Å; I520-V526 HydrophobicContact CG2-CG1 3.49Å; I520-V526 VanDerWaalsContact CG2-CG1 3.49Å
527	Y	96.3	Very high	88.1	Confident	36 Å²	36	63.6 Å²	63.6	14%	0.141	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.5	178.5	68.5	-87.7	0	0	0	111	G205 R207 A433 I434 H435 V436 E529	G205-Y527 CarbonylContact O-C 3.57Å; G205-Y527 WeakPolarHBondContact O-CB 3.38Å; R207-Y527 HydrophobicContact CG-CD1 3.32Å; R207-Y527 HydrophobicContact CG-CD2 4.03Å; R207-Y527 HydrophobicContact CG-CE1 3.54Å; R207-Y527 HydrophobicContact CG-CE2 4.23Å; R207-Y527 HydrophobicContact CG-CG 3.54Å; A433-Y527 HydrophobicContact CB-CD1 3.93Å; A433-Y527 HydrophobicContact CB-CE1 4.19Å; I434-Y527 WeakPolarHBondContact O-CD1 3.29Å; I434-Y527 PolarHBondContact O-N 2.86Å; H435-Y527 WeakPolarHBondContact CA-O 3.29Å; H435-Y527 HydrophobicContact CB-CD2 4.36Å; H435-Y527 HydrophobicContact CB-CE1 4.02Å; H435-Y527 HydrophobicContact CB-CE2 3.7Å; H435-Y527 AromaticContact CD2-CD2 3.63Å; H435-Y527 AromaticContact CD2-CE2 3.48Å; H435-Y527 VanDerWaalsContact CD2-CE2 3.48Å; H435-Y527 WeakPolarHBondContact CD2-CE2 3.06Å; H435-Y527 PolarHBondContact CD2-O 3.22Å; H435-Y527 AromaticContact CG-CE2 3.53Å; H435-Y527 AromaticContact CG-CZ 3.91Å; H435-Y527 VanDerWaalsContact N-CE1 3.34Å; V436-Y527 WeakPolarHBondContact CG2-O 3.43Å; V436-Y527 PolarHBondContact N-O 3.26Å; Y527-E529 VanDerWaalsContact CD2-O 3.26Å; Y527-E529 WeakPolarHBondContact CD2-O 3.05Å
528	L	93.6	Very high	89.7	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	31%	0.305	C	S	.	.	S	Bend	trans	-103.3	-36.2	-179.4	-67.8	160.5	0	0	0	112.4	G205 A374 M378 H435 V436 L445	G205-L528 PolarHBondContact O-N 3.4Å; A374-L528 HydrophobicContact CB-CD1 3.78Å; A374-L528 HydrophobicContact CB-CD2 4.09Å; M378-L528 HydrophobicContact CB-CD1 3.95Å; M378-L528 HydrophobicContact CB-CG 4.38Å; M378-L528 HydrophobicContact CG-CD1 4.35Å; M378-L528 HydrophobicContact CG-CG 4.41Å; M378-L528 HydrophobicContact SD-CB 4.31Å; M378-L528 HydrophobicContact SD-CD1 3.81Å; M378-L528 HydrophobicContact SD-CG 3.91Å; H435-L528 PolarHBondContact NE2-O 2.85Å; V436-L528 HydrophobicContact CG2-CD2 4.06Å; V436-L528 HydrophobicContact CG2-CG 4.47Å; L445-L528 HydrophobicContact CD2-CD2 4.19Å
529	E	91.1	Very high	90.4	Very high	33 Å²	33	59.3 Å²	59.3	15%	0.154	29%	0.29	C	S	.	.	S	Bend	trans	-117.2	144.1	-172	-66.9	171.4	-163.8	0	0	110.4	R204 G205 Y527	R204-E529 IonicContact CZ-OE2 3.32Å; R204-E529 IonicContact NE-OE2 3.19Å; R204-E529 PolarHBondContact NE-OE2 2.82Å; R204-E529 IonicContact NH2-OE2 2.67Å; R204-E529 PolarHBondContact NH2-OE2 2.88Å; G205-E529 VanDerWaalsContact N-CD 3.29Å; G205-E529 PolarHBondContact N-OE2 2.95Å; G205-E529 VanDerWaalsContact N-OE2 3.09Å; G205-E529 PolarHBondContact O-N 3.3Å; Y527-E529 VanDerWaalsContact CD2-O 3.26Å; Y527-E529 WeakPolarHBondContact CD2-O 3.05Å
530	E	91.8	Very high	90.3	Very high	150 Å²	150	57.7 Å²	57.7	70%	0.701	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-63.8	148.4	171	-64.7	-179.4	170.9	0	0	110.9
531	S	92.3	Very high	89.9	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.224	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.7	135.5	176.6	-53.9	0	0	0	0	110.4	R207 E208	R207-S531 PolarHBondContact NE-OG 2.82Å; R207-S531 VanDerWaalsContact NE-OG 3.16Å; R207-S531 PolarHBondContact NH2-OG 3.2Å; E208-S531 VanDerWaalsContact OE1-CB 3.23Å; E208-S531 WeakPolarHBondContact OE1-CB 2.9Å; E208-S531 PolarHBondContact OE1-OG 2.94Å
532	P	90.1	Very high	89.2	Confident	31 Å²	31	54.6 Å²	54.6	20%	0.201	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.4	166.8	172.6	30.3	-35.6	0	0	0	111.5	Y534 I541	P532-Y534 WeakPolarHBondContact CD-OH 3.05Å; P532-Y534 HydrophobicContact CG-CD1 4.45Å; P532-Y534 HydrophobicContact CG-CE1 3.75Å; P532-Y534 HydrophobicContact CG-CE2 4.16Å; P532-Y534 VanDerWaalsContact O-CD2 3.3Å; P532-Y534 WeakPolarHBondContact O-CD2 3.19Å; P532-Y534 PolarHBondContact O-N 3.26Å; P532-I541 HydrophobicContact CG-CD1 3.87Å
533	N	90.7	Very high	88.9	Confident	99 Å²	99	49.8 Å²	49.8	53%	0.529	25%	0.25	S	S	.	.			trans	-78.1	102.4	178	-175.4	-3.2	0	0	0	111.3	C535 F536	N533-C535 PolarHBondContact O-N 2.97Å; N533-C535 WeakPolarHBondContact OD1-CB 3.34Å; N533-C535 PolarHBondContact OD1-N 3.24Å; N533-C535 VanDerWaalsContact OD1-N 3.08Å; N533-C535 PolarHBondContact OD1-SG 3.34Å; N533-F536 WeakPolarHBondContact ND2-CE2 3.4Å
534	Y	91.6	Very high	88.8	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.047	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	18.4	-179.7	-62.3	-66.9	0	0	0	115.1	W174 E208 P532 I541 H543 I546	W174-Y534 HydrophobicContact CB-CD1 3.78Å; W174-Y534 HydrophobicContact CB-CD2 3.69Å; W174-Y534 HydrophobicContact CB-CE1 3.84Å; W174-Y534 HydrophobicContact CB-CE2 3.74Å; W174-Y534 HydrophobicContact CB-CG 3.7Å; W174-Y534 AromaticContact CD1-CD1 3.86Å; W174-Y534 AromaticContact CD1-CE1 3.37Å; W174-Y534 AromaticContact CD1-CZ 3.79Å; W174-Y534 HydrophobicContact CG-CD1 4.18Å; W174-Y534 AromaticContact CG-CE1 3.83Å; W174-Y534 HydrophobicContact CG-CE1 3.83Å; W174-Y534 HydrophobicContact CG-CE2 4.27Å; W174-Y534 AromaticContact CG-CZ 3.87Å; E208-Y534 VanDerWaalsContact CD-OH 3.25Å; E208-Y534 HydrophobicContact CG-CE2 3.99Å; E208-Y534 WeakPolarHBondContact CG-OH 3.29Å; E208-Y534 PolarHBondContact OE2-OH 3.49Å; P532-Y534 WeakPolarHBondContact CD-OH 3.05Å; P532-Y534 HydrophobicContact CG-CD1 4.45Å; P532-Y534 HydrophobicContact CG-CE1 3.75Å; P532-Y534 HydrophobicContact CG-CE2 4.16Å; P532-Y534 VanDerWaalsContact O-CD2 3.3Å; P532-Y534 WeakPolarHBondContact O-CD2 3.19Å; P532-Y534 PolarHBondContact O-N 3.26Å; Y534-I541 HydrophobicContact CD1-CD1 4.47Å; Y534-I541 HydrophobicContact CE1-CD1 3.86Å; Y534-H543 AromaticContact CD1-CD2 3.75Å; Y534-H543 AromaticContact CD1-CG 3.89Å; Y534-I546 WeakPolarHBondContact O-CG2 3.4Å
535	C	91.5	Very high	88.5	Confident	23 Å²	23	49.7 Å²	49.7	16%	0.155	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-32.5	166.9	-60.4	0	0	0	0	112.1	N533 I546 C567	N533-C535 PolarHBondContact O-N 2.97Å; N533-C535 WeakPolarHBondContact OD1-CB 3.34Å; N533-C535 PolarHBondContact OD1-N 3.24Å; N533-C535 VanDerWaalsContact OD1-N 3.08Å; N533-C535 PolarHBondContact OD1-SG 3.34Å; C535-I546 WeakPolarHBondContact O-CG1 3.39Å; C535-C567 VanDerWaalsContact CA-SG 3.57Å; C535-C567 HydrophobicContact CB-CB 3.6Å; C535-C567 WeakPolarHBondContact CB-SG 3.42Å; C535-C567 WeakPolarHBondContact SG-CB 3.37Å; C535-C567 CovalentContact SG-SG 2.03Å; C535-C567 PolarHBondContact SG-SG 2.87Å
536	F	89.1	Confident	88.3	Confident	143 Å²	143	50.1 Å²	50.1	63%	0.627	26%	0.255	S	S	*	.	S	Bend	trans	-103.2	152.4	-172.6	-56.5	-67.1	0	0	0	112	N533 H543	N533-F536 WeakPolarHBondContact ND2-CE2 3.4Å; F536-H543 PolarHBondContact O-CD2 2.91Å
537	F	87.2	Confident	87.9	Confident	130 Å²	130	52 Å²	52	57%	0.57	27%	0.27	S	S	*	.			trans	-62.2	134.4	169.6	174.3	-89.7	0	0	0	110.5	E539 H543 L544	F537-E539 HydrophobicContact CE1-CB 3.77Å; F537-E539 HydrophobicContact CZ-CB 3.88Å; F537-E539 HydrophobicContact CZ-CG 4.49Å; F537-H543 WeakPolarHBondContact CD2-O 3.44Å; F537-L544 HydrophobicContact CE2-CD2 4.12Å
538	D	86.3	Confident	87.6	Confident	46 Å²	46	52.2 Å²	52.2	25%	0.246	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-143.5	97.9	175.3	-177.7	-2.6	0	0	0	109.5	T540 I541 G542 H543	D538-T540 PolarHBondContact O-N 3.5Å; D538-T540 WeakPolarHBondContact OD1-CA 3.27Å; D538-T540 VanDerWaalsContact OD1-CB 3.29Å; D538-T540 WeakPolarHBondContact OD1-CB 3.46Å; D538-T540 PolarHBondContact OD1-N 3.04Å; D538-T540 PolarHBondContact OD1-OG1 2.98Å; D538-T540 PolarHBondContact OD2-OG1 3.29Å; D538-I541 HydrophobicContact CB-CD1 4.15Å; D538-I541 HydrophobicContact CB-CG1 3.88Å; D538-I541 PolarHBondContact O-N 3.2Å; D538-G542 PolarHBondContact O-N 2.85Å; D538-H543 PolarHBondContact N-O 3.28Å; D538-H543 PolarHBondContact O-N 2.99Å
539	E	81.1	Confident	87.6	Confident	95 Å²	95	53.3 Å²	53.3	44%	0.444	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-58.4	-32.4	176.9	-170.2	175	-177.8	0	0	111.9	S193 F537 I541 G542	S193-E539 VanDerWaalsContact CB-OE1 3.27Å; S193-E539 WeakPolarHBondContact CB-OE1 3.47Å; S193-E539 PolarHBondContact OG-OE1 3.13Å; F537-E539 HydrophobicContact CE1-CB 3.77Å; F537-E539 HydrophobicContact CZ-CB 3.88Å; F537-E539 HydrophobicContact CZ-CG 4.49Å; E539-I541 PolarHBondContact O-N 2.98Å; E539-I541 VanDerWaalsContact O-N 3.08Å; E539-G542 PolarHBondContact O-N 3.15Å
540	T	79.2	Confident	87.7	Confident	96 Å²	96	56.8 Å²	56.8	59%	0.589	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17.3	-174.7	77	0	0	0	0	113.2	G200 D538	G200-T540 VanDerWaalsContact CA-O 3.32Å; G200-T540 WeakPolarHBondContact CA-O 3.45Å; D538-T540 PolarHBondContact O-N 3.5Å; D538-T540 WeakPolarHBondContact OD1-CA 3.27Å; D538-T540 VanDerWaalsContact OD1-CB 3.29Å; D538-T540 WeakPolarHBondContact OD1-CB 3.46Å; D538-T540 PolarHBondContact OD1-N 3.04Å; D538-T540 PolarHBondContact OD1-OG1 2.98Å; D538-T540 PolarHBondContact OD2-OG1 3.29Å
541	I	79.2	Confident	87.8	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-122.1	10.9	174.2	64.4	177.1	0	0	0	112.9	G197 I201 R204 P532 Y534 D538 E539 H543	G197-I541 CarbonylContact O-C 3.56Å; I201-I541 HydrophobicContact CB-CB 4.25Å; I201-I541 HydrophobicContact CD1-CB 4.42Å; R204-I541 HydrophobicContact CG-CG2 4.16Å; P532-I541 HydrophobicContact CG-CD1 3.87Å; Y534-I541 HydrophobicContact CD1-CD1 4.47Å; Y534-I541 HydrophobicContact CE1-CD1 3.86Å; D538-I541 HydrophobicContact CB-CD1 4.15Å; D538-I541 HydrophobicContact CB-CG1 3.88Å; D538-I541 PolarHBondContact O-N 3.2Å; E539-I541 PolarHBondContact O-N 2.98Å; E539-I541 VanDerWaalsContact O-N 3.08Å; I541-H543 VanDerWaalsContact C-N 3.27Å; I541-H543 HydrophobicContact CD1-CB 3.92Å; I541-H543 HydrophobicContact CG1-CB 3.71Å; I541-H543 PolarHBondContact O-N 3.33Å
542	G	76.3	Confident	87.8	Confident	5 Å²	5	50.3 Å²	50.3	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	32.3	-177.5	0	0	0	0	0	113.5	S177 A178 G197 D538 E539	S177-G542 PolarHBondContact OG-O 3.01Å; A178-G542 PolarHBondContact N-O 3.49Å; G197-G542 VanDerWaalsContact CA-CA 3.48Å; G197-G542 VanDerWaalsContact CA-N 3.3Å; D538-G542 PolarHBondContact O-N 2.85Å; E539-G542 PolarHBondContact O-N 3.15Å
543	H	85.9	Confident	87.9	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-98.8	120.9	-179.5	-175.2	52.6	0	0	0	112.1	Q173 W174 S177 Y534 F536 F537 D538 I541 G545	Q173-H543 PolarHBondContact O-NE2 2.8Å; W174-H543 AromaticContact CD1-CE1 3.99Å; S177-H543 WeakPolarHBondContact CB-CE1 3.42Å; S177-H543 WeakPolarHBondContact OG-CA 3.46Å; S177-H543 PolarHBondContact OG-CE1 3.03Å; S177-H543 PolarHBondContact OG-ND1 3.4Å; Y534-H543 AromaticContact CD1-CD2 3.75Å; Y534-H543 AromaticContact CD1-CG 3.89Å; F536-H543 PolarHBondContact O-CD2 2.91Å; F537-H543 WeakPolarHBondContact CD2-O 3.44Å; D538-H543 PolarHBondContact N-O 3.28Å; D538-H543 PolarHBondContact O-N 2.99Å; I541-H543 VanDerWaalsContact C-N 3.27Å; I541-H543 HydrophobicContact CD1-CB 3.92Å; I541-H543 HydrophobicContact CG1-CB 3.71Å; I541-H543 PolarHBondContact O-N 3.33Å; H543-G545 VanDerWaalsContact C-N 3.3Å; H543-G545 PolarHBondContact NE2-O 3.11Å; H543-G545 PolarHBondContact O-N 2.83Å
544	L	85.3	Confident	87.8	Confident	92 Å²	92	51.2 Å²	51.2	48%	0.482	28%	0.284	S	S	.	.			trans	-83.9	0.8	-172.4	-62.7	177.6	0	0	0	114.3	L181 F537	L181-L544 HydrophobicContact CD1-CD2 4.1Å; L181-L544 HydrophobicContact CD1-CG 4.36Å; L181-L544 HydrophobicContact CD2-CD1 3.95Å; L181-L544 HydrophobicContact CD2-CD2 4.17Å; L181-L544 HydrophobicContact CD2-CG 4.49Å; L181-L544 HydrophobicContact CG-CD1 4.22Å; F537-L544 HydrophobicContact CE2-CD2 4.12Å
545	G	87.1	Confident	87.6	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	29%	0.292	C	S	.	.			trans	73.1	-165.3	-170.8	0	0	0	0	0	113.2	H543	H543-G545 VanDerWaalsContact C-N 3.3Å; H543-G545 PolarHBondContact NE2-O 3.11Å; H543-G545 PolarHBondContact O-N 2.83Å
546	I	91.5	Very high	87.2	Confident	9 Å²	9	58.9 Å²	58.9	5%	0.046	32%	0.319	C	S	.	.	S	Bend	trans	-102.4	-12.3	-175.5	56.8	162.7	0	0	0	115	Y534 C535 R549 L565 C566 C567 C606	Y534-I546 WeakPolarHBondContact O-CG2 3.4Å; C535-I546 WeakPolarHBondContact O-CG1 3.39Å; I546-R549 VanDerWaalsContact O-CB 3.23Å; I546-R549 WeakPolarHBondContact O-CB 3.47Å; I546-R549 WeakPolarHBondContact O-CG 3.38Å; I546-R549 PolarHBondContact O-N 2.8Å; I546-L565 WeakPolarHBondContact CG2-O 3.39Å; I546-C566 VanDerWaalsContact CD1-O 3.27Å; I546-C566 WeakPolarHBondContact CD1-O 3.32Å; I546-C567 HydrophobicContact CD1-CB 3.8Å; I546-C606 WeakPolarHBondContact O-CB 3.47Å
547	A	89.7	Confident	87	Confident	39 Å²	39	59.5 Å²	59.5	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	139.7	-171.3	0	0	0	0	0	113	R549 K607 H608	A547-R549 PolarHBondContact O-N 2.94Å; A547-R549 VanDerWaalsContact O-N 3.14Å; A547-K607 WeakPolarHBondContact CA-O 3.22Å; A547-H608 HydrophobicContact CB-CB 4.4Å
548	G	90.1	Very high	87.1	Confident	42 Å²	42	54.9 Å²	54.9	43%	0.433	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	3.9	-179.6	0	0	0	0	0	115.1	H605 C606	G548-H605 PolarHBondContact O-CD2 3.02Å; G548-C606 PolarHBondContact N-O 2.72Å
549	R	92.4	Very high	87.1	Confident	28 Å²	28	55.6 Å²	55.6	11%	0.106	32%	0.318	C	S	.	.			trans	-77.1	132.7	-179.7	-69	-174.4	64.5	-173.2	-4.9	112	K170 E172 Q173 I546 A547 C551 H605 C606	K170-R549 PolarHBondContact O-NH2 3.44Å; E172-R549 VanDerWaalsContact O-CZ 3.23Å; E172-R549 PolarHBondContact O-NH1 2.95Å; E172-R549 PolarHBondContact O-NH2 3.19Å; Q173-R549 PolarHBondContact O-NH1 2.92Å; I546-R549 VanDerWaalsContact O-CB 3.23Å; I546-R549 WeakPolarHBondContact O-CB 3.47Å; I546-R549 WeakPolarHBondContact O-CG 3.38Å; I546-R549 PolarHBondContact O-N 2.8Å; A547-R549 PolarHBondContact O-N 2.94Å; A547-R549 VanDerWaalsContact O-N 3.14Å; R549-C551 PolarHBondContact O-N 2.82Å; R549-H605 CarbonylContact O-C 3.59Å; R549-H605 WeakPolarHBondContact O-CA 3.02Å; R549-C606 PolarHBondContact O-N 3.4Å
550	Q	92.9	Very high	87.5	Confident	106 Å²	106	53 Å²	53	50%	0.495	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127	174.3	-167.5	-166.6	-8.1	0	0	111.2	H604	Q550-H604 CarbonylContact C-O 3.57Å; Q550-H604 VanDerWaalsContact CA-O 3.29Å; Q550-H604 WeakPolarHBondContact CA-O 3.07Å
551	C	93.9	Very high	88.2	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	173.9	175.6	66.6	0	0	0	0	111.1	R549 C562 L565 H604	R549-C551 PolarHBondContact O-N 2.82Å; C551-C562 VanDerWaalsContact C-SG 3.59Å; C551-C562 HydrophobicContact CB-CB 3.84Å; C551-C562 WeakPolarHBondContact CB-SG 3.33Å; C551-C562 VanDerWaalsContact SG-CA 3.56Å; C551-C562 WeakPolarHBondContact SG-CB 3.23Å; C551-C562 CovalentContact SG-SG 2.04Å; C551-C562 PolarHBondContact SG-SG 3.43Å; C551-L565 HydrophobicContact CB-CB 4.43Å; C551-L565 HydrophobicContact CB-CD2 4.02Å; C551-H604 PolarHBondContact N-O 3.37Å
552	N	93.2	Very high	88.8	Confident	41 Å²	41	48.6 Å²	48.6	22%	0.219	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-114.6	121.5	172.5	-173.6	20.7	0	0	0	111.2	T554 S555 N560 S561 C562	N552-T554 PolarHBondContact ND2-OG1 2.92Å; N552-T554 PolarHBondContact OD1-N 3.16Å; N552-T554 PolarHBondContact OD1-OG1 2.74Å; N552-S555 PolarHBondContact ND2-OG 2.81Å; N552-N560 PolarHBondContact N-O 2.94Å; N552-S561 CarbonylContact O-C 3.51Å; N552-S561 WeakPolarHBondContact O-CA 3.26Å; N552-C562 PolarHBondContact O-N 2.86Å
553	A	91.7	Very high	89.5	Confident	30 Å²	30	51.3 Å²	51.3	25%	0.248	30%	0.299	C	S	.	.	S	Bend	trans	-81.8	-21.6	177.9	0	0	0	0	0	113	C562 Y571	A553-C562 PolarHBondContact N-SG 3.48Å; A553-Y571 HydrophobicContact CB-CE2 3.97Å
554	T	89.8	Confident	89.6	Confident	118 Å²	118	57.3 Å²	57.3	72%	0.724	32%	0.321	S	S	*	.	S	Bend	trans	-75.4	-36.7	-173.7	63.1	0	0	0	0	113.3	N552	N552-T554 PolarHBondContact ND2-OG1 2.92Å; N552-T554 PolarHBondContact OD1-N 3.16Å; N552-T554 PolarHBondContact OD1-OG1 2.74Å
555	S	87.3	Confident	90	Very high	33 Å²	33	52.9 Å²	52.9	23%	0.231	30%	0.298	C	S	.	.			trans	-102.1	101.7	-175.5	60.1	0	0	0	0	111.3	N552 A558 S561	N552-S555 PolarHBondContact ND2-OG 2.81Å; S555-A558 WeakPolarHBondContact OG-CB 3.31Å; S555-S561 WeakPolarHBondContact O-CB 3.48Å; S555-S561 PolarHBondContact O-OG 2.85Å
556	K	83	Confident	90.3	Very high	164 Å²	164	52.5 Å²	52.5	71%	0.713	29%	0.294	S	S	*	.	S	Bend	trans	-67.1	-39.5	-176.8	-68.8	-176.9	179	178.8	0	114	S561	K556-S561 WeakPolarHBondContact CA-OG 3.35Å; K556-S561 VanDerWaalsContact O-CB 3.29Å; K556-S561 WeakPolarHBondContact O-CB 3.49Å; K556-S561 PolarHBondContact O-OG 2.84Å
557	D	84.6	Confident	90.3	Very high	155 Å²	155	53.5 Å²	53.5	83%	0.829	30%	0.301	S	S	*	.	S	Bend	trans	-91.4	-10.8	-172.9	-48.6	-70.5	0	0	0	114
558	A	88.5	Confident	90	Very high	33 Å²	33	58.8 Å²	58.8	27%	0.273	32%	0.324	S	S	.	.	S	Bend	trans	-73.1	155.2	-177.7	0	0	0	0	0	112.2	S555 N560 S561	S555-A558 WeakPolarHBondContact OG-CB 3.31Å; A558-N560 VanDerWaalsContact CB-OD1 3.23Å; A558-N560 WeakPolarHBondContact CB-OD1 3.39Å; A558-N560 PolarHBondContact O-N 2.87Å; A558-S561 WeakPolarHBondContact O-CB 3.39Å; A558-S561 PolarHBondContact O-N 2.87Å
559	I	86.7	Confident	89.9	Confident	61 Å²	61	59.9 Å²	59.9	31%	0.313	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28	-173.8	-152.4	134.4	0	0	0	113.4	H171 E172 S561 R564	H171-I559 HydrophobicContact CB-CG2 4.29Å; E172-I559 VanDerWaalsContact CD-CD1 3.44Å; E172-I559 WeakPolarHBondContact OE1-CD1 3.43Å; E172-I559 WeakPolarHBondContact OE2-CD1 3.43Å; E172-I559 WeakPolarHBondContact OE2-CG1 3.3Å; I559-S561 VanDerWaalsContact C-N 3.34Å; I559-R564 VanDerWaalsContact CD1-NH2 3.33Å
560	N	89.9	Confident	89.8	Confident	42 Å²	42	59.9 Å²	59.9	23%	0.225	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	7.1	173.1	63	-28.8	0	0	0	114.1	H171 N552 A558	H171-N560 HydrophobicContact CB-CB 4.03Å; N552-N560 PolarHBondContact N-O 2.94Å; A558-N560 VanDerWaalsContact CB-OD1 3.23Å; A558-N560 WeakPolarHBondContact CB-OD1 3.39Å; A558-N560 PolarHBondContact O-N 2.87Å
561	S	92.9	Very high	89.9	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.028	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-58.4	141.1	179.8	-164.4	0	0	0	0	111.4	N552 S555 K556 A558 I559 S563 R564 L565	N552-S561 CarbonylContact O-C 3.51Å; N552-S561 WeakPolarHBondContact O-CA 3.26Å; S555-S561 WeakPolarHBondContact O-CB 3.48Å; S555-S561 PolarHBondContact O-OG 2.85Å; K556-S561 WeakPolarHBondContact CA-OG 3.35Å; K556-S561 VanDerWaalsContact O-CB 3.29Å; K556-S561 WeakPolarHBondContact O-CB 3.49Å; K556-S561 PolarHBondContact O-OG 2.84Å; A558-S561 WeakPolarHBondContact O-CB 3.39Å; A558-S561 PolarHBondContact O-N 2.87Å; I559-S561 VanDerWaalsContact C-N 3.34Å; S561-S563 PolarHBondContact O-N 2.89Å; S561-S563 PolarHBondContact OG-OG 2.91Å; S561-R564 PolarHBondContact O-N 3.19Å; S561-L565 VanDerWaalsContact O-CB 3.25Å; S561-L565 WeakPolarHBondContact O-CB 3.41Å; S561-L565 PolarHBondContact O-N 3.24Å
562	C	93.1	Very high	89.9	Confident	3 Å²	3	63 Å²	63	2%	0.02	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-29.3	177	-62.5	0	0	0	0	113.3	C551 N552 A553 C566 Y571	C551-C562 VanDerWaalsContact C-SG 3.59Å; C551-C562 HydrophobicContact CB-CB 3.84Å; C551-C562 WeakPolarHBondContact CB-SG 3.33Å; C551-C562 VanDerWaalsContact SG-CA 3.56Å; C551-C562 WeakPolarHBondContact SG-CB 3.23Å; C551-C562 CovalentContact SG-SG 2.04Å; C551-C562 PolarHBondContact SG-SG 3.43Å; N552-C562 PolarHBondContact O-N 2.86Å; A553-C562 PolarHBondContact N-SG 3.48Å; C562-C566 WeakPolarHBondContact O-CB 3.46Å; C562-C566 PolarHBondContact O-N 2.86Å; C562-C566 VanDerWaalsContact O-N 3.16Å; C562-C566 PolarHBondContact O-SG 3.38Å; C562-Y571 HydrophobicContact CB-CD1 3.4Å; C562-Y571 VanDerWaalsContact CB-CD1 3.4Å; C562-Y571 HydrophobicContact CB-CE1 3.75Å; C562-Y571 HydrophobicContact CB-CG 3.86Å
563	S	89.9	Confident	89.9	Confident	62 Å²	62	64.5 Å²	64.5	43%	0.434	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-51.9	172.5	52	0	0	0	0	111.5	S561	S561-S563 PolarHBondContact O-N 2.89Å; S561-S563 PolarHBondContact OG-OG 2.91Å
564	R	89.3	Confident	89.9	Confident	127 Å²	127	66.6 Å²	66.6	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-75.5	-37.7	-175.2	-178.7	170.9	172.9	162.8	-0.8	113.7	Q173 I559 S561	Q173-R564 PolarHBondContact NE2-O 2.92Å; I559-R564 VanDerWaalsContact CD1-NH2 3.33Å; S561-R564 PolarHBondContact O-N 3.19Å
565	L	92.7	Very high	90	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-81.5	-33.4	-176.4	-168.8	62.9	0	0	0	112.2	Q173 I546 C551 S561	Q173-L565 HydrophobicContact CG-CD1 4.4Å; I546-L565 WeakPolarHBondContact CG2-O 3.39Å; C551-L565 HydrophobicContact CB-CB 4.43Å; C551-L565 HydrophobicContact CB-CD2 4.02Å; S561-L565 VanDerWaalsContact O-CB 3.25Å; S561-L565 WeakPolarHBondContact O-CB 3.41Å; S561-L565 PolarHBondContact O-N 3.24Å
566	C	93.6	Very high	90.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	10.9	-175.6	-46.3	0	0	0	0	114.3	I546 C562 D568 S569 G570 C606	I546-C566 VanDerWaalsContact CD1-O 3.27Å; I546-C566 WeakPolarHBondContact CD1-O 3.32Å; C562-C566 WeakPolarHBondContact O-CB 3.46Å; C562-C566 PolarHBondContact O-N 2.86Å; C562-C566 VanDerWaalsContact O-N 3.16Å; C562-C566 PolarHBondContact O-SG 3.38Å; C566-D568 VanDerWaalsContact C-N 3.27Å; C566-D568 PolarHBondContact O-N 2.04Å; C566-D568 VanDerWaalsContact O-N 3.11Å; C566-S569 WeakPolarHBondContact O-CB 3.42Å; C566-S569 PolarHBondContact O-N 2.85Å; C566-G570 WeakPolarHBondContact CB-O 3.08Å; C566-C606 WeakPolarHBondContact CA-SG 3.34Å; C566-C606 HydrophobicContact CB-CB 3.54Å; C566-C606 WeakPolarHBondContact CB-SG 3.43Å; C566-C606 WeakPolarHBondContact SG-CA 3.44Å; C566-C606 WeakPolarHBondContact SG-CB 3.38Å; C566-C606 CovalentContact SG-SG 2.04Å; C566-C606 PolarHBondContact SG-SG 3.09Å
567	C	90.6	Very high	90.6	Very high	29 Å²	29	66.8 Å²	66.8	20%	0.196	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	44.2	172.3	-59.6	0	0	0	0	114.9	Q173 C535 I546 S569	Q173-C567 PolarHBondContact NE2-SG 2.99Å; C535-C567 VanDerWaalsContact CA-SG 3.57Å; C535-C567 HydrophobicContact CB-CB 3.6Å; C535-C567 WeakPolarHBondContact CB-SG 3.42Å; C535-C567 WeakPolarHBondContact SG-CB 3.37Å; C535-C567 CovalentContact SG-SG 2.03Å; C535-C567 PolarHBondContact SG-SG 2.87Å; I546-C567 HydrophobicContact CD1-CB 3.8Å; C567-S569 PolarHBondContact O-N 3.31Å
568	D	84.7	Confident	90.8	Very high	150 Å²	150	65 Å²	65	80%	0.802	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	1.2	-177.8	-52.3	-48.8	0	0	0	116.6	C566 G570	C566-D568 VanDerWaalsContact C-N 3.27Å; C566-D568 PolarHBondContact O-N 2.04Å; C566-D568 VanDerWaalsContact O-N 3.11Å; D568-G570 PolarHBondContact O-N 3.45Å; D568-G570 VanDerWaalsContact O-N 3.15Å
569	S	86.9	Confident	91.1	Very high	65 Å²	65	68.8 Å²	68.8	46%	0.455	35%	0.352	S	S	.	.	S	Bend	trans	-64.7	-12.3	169.1	-57.4	0	0	0	0	113.6	C566 C567	C566-S569 WeakPolarHBondContact O-CB 3.42Å; C566-S569 PolarHBondContact O-N 2.85Å; C567-S569 PolarHBondContact O-N 3.31Å
570	G	90.8	Very high	91.4	Very high	29 Å²	29	70.5 Å²	70.5	30%	0.299	36%	0.358	S	S	.	.			trans	78.3	-173.3	-174.3	0	0	0	0	0	113.5	C566 D568 K607	C566-G570 WeakPolarHBondContact CB-O 3.08Å; D568-G570 PolarHBondContact O-N 3.45Å; D568-G570 VanDerWaalsContact O-N 3.15Å; G570-K607 PolarHBondContact O-N 2.91Å; G570-K607 VanDerWaalsContact O-N 3.1Å
571	Y	94	Very high	91.6	Very high	95 Å²	95	75.1 Å²	75.1	37%	0.373	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.2	-175.6	59.4	-84.2	0	0	0	110.8	A553 C562 H604 H605	A553-Y571 HydrophobicContact CB-CE2 3.97Å; C562-Y571 HydrophobicContact CB-CD1 3.4Å; C562-Y571 VanDerWaalsContact CB-CD1 3.4Å; C562-Y571 HydrophobicContact CB-CE1 3.75Å; C562-Y571 HydrophobicContact CB-CG 3.86Å; Y571-H604 HydrophobicContact CD2-CB 3.8Å; Y571-H604 AromaticContact CD2-ND1 3.85Å; Y571-H604 HydrophobicContact CE2-CB 4.32Å; Y571-H604 AromaticContact CE2-ND1 3.62Å; Y571-H605 CarbonylContact C-O 3.59Å; Y571-H605 WeakPolarHBondContact CA-O 3.49Å; Y571-H605 VanDerWaalsContact CB-O 3.28Å; Y571-H605 WeakPolarHBondContact CB-O 3.28Å
572	D	93.9	Very high	91.7	Very high	81 Å²	81	76 Å²	76	43%	0.433	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	151.3	166.4	-68.6	-54.4	0	0	0	109.9	H604 H605 K607	D572-H604 CarbonylContact O-C 3.47Å; D572-H604 VanDerWaalsContact O-CA 3.29Å; D572-H604 WeakPolarHBondContact O-CA 3.17Å; D572-H605 PolarHBondContact N-O 3.03Å; D572-H605 PolarHBondContact O-N 2.03Å; D572-K607 WeakPolarHBondContact OD1-CE 3.46Å; D572-K607 IonicContact OD1-NZ 2.78Å; D572-K607 PolarHBondContact OD1-NZ 2.82Å; D572-K607 WeakPolarHBondContact OD2-CE 3.43Å; D572-K607 WeakPolarHBondContact OD2-CG 3.49Å
573	T	93.9	Very high	91.8	Very high	73 Å²	73	82.1 Å²	82.1	45%	0.448	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.3	179.1	-59.2	0	0	0	0	109.4	L603 H604	T573-L603 WeakPolarHBondContact CA-O 3.35Å; T573-H604 WeakPolarHBondContact CG2-ND1 3.09Å; T573-H604 PolarHBondContact OG1-ND1 3.23Å
574	L	91.3	Very high	92.1	Very high	75 Å²	75	82.5 Å²	82.5	39%	0.393	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.3	-179.7	-61.7	173.9	0	0	0	108.9	L603	L574-L603 PolarHBondContact N-O 3.46Å; L574-L603 PolarHBondContact O-N 2.8Å
575	E	92.1	Very high	92.3	Very high	143 Å²	143	83.3 Å²	83.3	67%	0.668	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.4	165	-72.2	-172.9	-170.9	0	0	109.1	T602	E575-T602 HydrophobicContact CG-CG2 3.87Å
576	L	90.2	Very high	92.4	Very high	56 Å²	56	89.3 Å²	89.3	29%	0.293	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.1	179.1	-68.9	170.4	0	0	0	109.7	T601 L603	L576-T601 PolarHBondContact N-O 3.48Å; L576-T601 PolarHBondContact O-N 2.74Å; L576-L603 HydrophobicContact CD1-CD1 3.61Å; L576-L603 HydrophobicContact CD1-CG 4.25Å
577	E	93	Very high	92.3	Very high	119 Å²	119	93.7 Å²	93.7	56%	0.556	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.4	167.5	-170.1	168.5	-130.2	0	0	109	R598 D599	E577-R598 HydrophobicContact CG-CB 3.85Å; E577-R598 HydrophobicContact CG-CG 4.12Å; E577-R598 WeakPolarHBondContact OE1-CB 3.4Å; E577-D599 CarbonylContact C-O 3.56Å; E577-D599 WeakPolarHBondContact CA-O 3.06Å
578	R	89.8	Confident	92.2	Very high	117 Å²	117	103.7 Å²	103.7	44%	0.442	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126	-179.5	-74.5	179.4	165.9	171.8	-6.1	110	R598 D599	R578-R598 WeakPolarHBondContact O-CA 3.39Å; R578-D599 PolarHBondContact N-O 3.28Å; R578-D599 PolarHBondContact O-N 2.83Å
579	E	94	Very high	92.2	Very high	113 Å²	113	101.1 Å²	101.1	53%	0.528	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.3	168.8	-73.1	-175.6	164.2	0	0	109.9	I596 C597 R598	E579-I596 HydrophobicContact CB-CG2 3.8Å; E579-I596 HydrophobicContact CG-CG2 4Å; E579-C597 WeakPolarHBondContact CA-O 3.06Å; E579-R598 HydrophobicContact CG-CG 3.69Å; E579-R598 IonicContact OE1-CZ 2.82Å; E579-R598 IonicContact OE1-NE 2.69Å; E579-R598 PolarHBondContact OE1-NE 2.92Å; E579-R598 IonicContact OE1-NH2 3.19Å; E579-R598 PolarHBondContact OE1-NH2 2.86Å
580	Q	92.6	Very high	91.9	Very high	98 Å²	98	102.9 Å²	102.9	46%	0.458	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.1	177.1	62.5	-177.5	-18.7	0	0	111.4	C582 C597 D599	Q580-C582 PolarHBondContact O-N 3.04Å; Q580-C597 PolarHBondContact N-O 3.44Å; Q580-C597 PolarHBondContact O-N 3.35Å; Q580-D599 VanDerWaalsContact NE2-CB 3.29Å; Q580-D599 PolarHBondContact NE2-OD2 3.25Å
581	K	94.5	Very high	92	Very high	139 Å²	139	105.7 Å²	105.7	60%	0.604	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	122.8	175.3	-68.6	-166.2	177.4	-166.4	0	109.6	C594 N595	K581-C594 HydrophobicContact CB-CB 3.89Å; K581-C594 HydrophobicContact CD-CB 4.29Å; K581-C594 HydrophobicContact CG-CB 4.33Å; K581-N595 WeakPolarHBondContact CA-O 2.99Å
582	C	94.8	Very high	92.1	Very high	22 Å²	22	105 Å²	105	15%	0.149	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	171.2	-176.3	65.5	0	0	0	0	110.9	Q580 C584 C594 N595 C597	Q580-C582 PolarHBondContact O-N 3.04Å; C582-C584 PolarHBondContact O-N 2.93Å; C582-C594 WeakPolarHBondContact O-CA 3.3Å; C582-C594 WeakPolarHBondContact O-CB 3.33Å; C582-N595 PolarHBondContact N-O 2.91Å; C582-N595 PolarHBondContact O-N 3.3Å; C582-N595 PolarHBondContact SG-O 3.31Å; C582-C597 HydrophobicContact CB-CB 3.62Å; C582-C597 WeakPolarHBondContact CB-SG 3.45Å; C582-C597 WeakPolarHBondContact SG-CB 3.31Å; C582-C597 PolarHBondContact SG-N 2.7Å; C582-C597 CovalentContact SG-SG 2.02Å; C582-C597 PolarHBondContact SG-SG 2.72Å
583	E	94.7	Very high	92.1	Very high	132 Å²	132	107.8 Å²	107.8	62%	0.617	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.1	29	173.2	-54.5	-173.5	141.8	0	0	113.9	K585 N595	E583-K585 PolarHBondContact O-N 2.02Å; E583-K585 VanDerWaalsContact O-N 3.13Å; E583-N595 HydrophobicContact CB-CB 4.42Å; E583-N595 PolarHBondContact OE2-ND2 2.96Å
584	C	95.8	Very high	92.3	Very high	69 Å²	69	106 Å²	106	47%	0.466	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	113.4	-173.4	-66.1	0	0	0	0	111.5	C582 V592 R593 C594	C582-C584 PolarHBondContact O-N 2.93Å; C584-V592 HydrophobicContact CB-CG1 3.89Å; C584-R593 CarbonylContact C-O 3.53Å; C584-R593 WeakPolarHBondContact CA-O 3.04Å; C584-C594 HydrophobicContact CB-CB 4.07Å; C584-C594 WeakPolarHBondContact CB-SG 3.02Å; C584-C594 WeakPolarHBondContact SG-CB 3.35Å; C584-C594 CovalentContact SG-SG 2.04Å; C584-C594 PolarHBondContact SG-SG 2.04Å
585	K	94.3	Very high	92.5	Very high	145 Å²	145	107 Å²	107	63%	0.63	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.7	174.9	-70.1	172.1	-173.4	175.7	0	109.1	E583 F587 R593	E583-K585 PolarHBondContact O-N 2.02Å; E583-K585 VanDerWaalsContact O-N 3.13Å; K585-F587 HydrophobicContact CB-CD2 4.48Å; K585-F587 HydrophobicContact CB-CE2 3.77Å; K585-F587 HydrophobicContact CB-CZ 4.36Å; K585-F587 WeakPolarHBondContact O-CD2 3.45Å; K585-R593 PolarHBondContact N-O 3.42Å; K585-R593 PolarHBondContact O-N 2.95Å
586	F	95.1	Very high	92.7	Very high	125 Å²	125	105.7 Å²	105.7	55%	0.548	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.5	170.9	-177.4	-89	0	0	0	109	W588 V592	F586-W588 AromaticContact CE1-CE3 3.76Å; F586-W588 HydrophobicContact CE1-CE3 3.76Å; F586-W588 HydrophobicContact CE1-CZ3 4.32Å; F586-V592 HydrophobicContact CB-CG2 4.45Å; F586-V592 HydrophobicContact CD2-CG2 3.66Å; F586-V592 HydrophobicContact CE2-CG2 4.45Å
587	F	92.3	Very high	92.9	Very high	93 Å²	93	105.2 Å²	105.2	41%	0.408	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.8	175.2	-70.6	-100.3	0	0	0	108	K585 C589 E591 R593	K585-F587 HydrophobicContact CB-CD2 4.48Å; K585-F587 HydrophobicContact CB-CE2 3.77Å; K585-F587 HydrophobicContact CB-CZ 4.36Å; K585-F587 WeakPolarHBondContact O-CD2 3.45Å; F587-C589 PolarHBondContact O-N 2.69Å; F587-E591 PolarHBondContact N-O 3.04Å; F587-E591 PolarHBondContact O-N 3.02Å; F587-R593 HydrophobicContact CD2-CB 4.24Å; F587-R593 HydrophobicContact CD2-CG 4.16Å; F587-R593 HydrophobicContact CE2-CB 3.8Å; F587-R593 HydrophobicContact CE2-CG 4.07Å
588	W	87.8	Confident	93	Very high	238 Å²	238	107.2 Å²	107.2	90%	0.902	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	137.2	-175.4	-173.3	-97.9	0	0	0	111.3	F586	F586-W588 AromaticContact CE1-CE3 3.76Å; F586-W588 HydrophobicContact CE1-CE3 3.76Å; F586-W588 HydrophobicContact CE1-CZ3 4.32Å
589	C	84.4	Confident	93.1	Very high	96 Å²	96	105.1 Å²	105.1	65%	0.649	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	4.8	117	-137.9	-165.2	0	0	0	0	119	F587	F587-C589 PolarHBondContact O-N 2.69Å
590	C	81.3	Confident	93	Very high	102 Å²	102	106.8 Å²	106.8	69%	0.689	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	cis	-152.9	41.5	-1	-78.8	0	0	0	0	111
591	E	93	Very high	92.9	Very high	89 Å²	89	103.9 Å²	103.9	42%	0.416	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.4	-172.9	-159.8	-169.5	148.4	0	0	112.5	F587 R593	F587-E591 PolarHBondContact N-O 3.04Å; F587-E591 PolarHBondContact O-N 3.02Å; E591-R593 HydrophobicContact CG-CG 4.28Å; E591-R593 WeakPolarHBondContact OE1-CG 3.23Å; E591-R593 IonicContact OE1-CZ 3.25Å; E591-R593 IonicContact OE1-NE 3.02Å; E591-R593 PolarHBondContact OE1-NE 2.85Å; E591-R593 IonicContact OE1-NH2 3.51Å; E591-R593 IonicContact OE2-CZ 2.71Å; E591-R593 VanDerWaalsContact OE2-CZ 3.26Å; E591-R593 IonicContact OE2-NE 2.74Å; E591-R593 PolarHBondContact OE2-NE 3.13Å; E591-R593 IonicContact OE2-NH2 2.67Å; E591-R593 PolarHBondContact OE2-NH2 2.81Å
592	V	94.4	Very high	92.8	Very high	80 Å²	80	100.9 Å²	100.9	49%	0.485	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.3	166.2	178	0	0	0	0	108.8	C584 F586	C584-V592 HydrophobicContact CB-CG1 3.89Å; F586-V592 HydrophobicContact CB-CG2 4.45Å; F586-V592 HydrophobicContact CD2-CG2 3.66Å; F586-V592 HydrophobicContact CE2-CG2 4.45Å
593	R	95.7	Very high	92.7	Very high	140 Å²	140	100.4 Å²	100.4	53%	0.528	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.3	172.4	-62.1	178.6	-179.8	166.2	8.4	108.9	C584 K585 F587 E591	C584-R593 CarbonylContact C-O 3.53Å; C584-R593 WeakPolarHBondContact CA-O 3.04Å; K585-R593 PolarHBondContact N-O 3.42Å; K585-R593 PolarHBondContact O-N 2.95Å; F587-R593 HydrophobicContact CD2-CB 4.24Å; F587-R593 HydrophobicContact CD2-CG 4.16Å; F587-R593 HydrophobicContact CE2-CB 3.8Å; F587-R593 HydrophobicContact CE2-CG 4.07Å; E591-R593 HydrophobicContact CG-CG 4.28Å; E591-R593 WeakPolarHBondContact OE1-CG 3.23Å; E591-R593 IonicContact OE1-CZ 3.25Å; E591-R593 IonicContact OE1-NE 3.02Å; E591-R593 PolarHBondContact OE1-NE 2.85Å; E591-R593 IonicContact OE1-NH2 3.51Å; E591-R593 IonicContact OE2-CZ 2.71Å; E591-R593 VanDerWaalsContact OE2-CZ 3.26Å; E591-R593 IonicContact OE2-NE 2.74Å; E591-R593 PolarHBondContact OE2-NE 3.13Å; E591-R593 IonicContact OE2-NH2 2.67Å; E591-R593 PolarHBondContact OE2-NH2 2.81Å
594	C	96.8	Very high	92.7	Very high	36 Å²	36	95.4 Å²	95.4	24%	0.243	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.2	177.9	-53	0	0	0	0	109.2	K581 C582 C584	K581-C594 HydrophobicContact CB-CB 3.89Å; K581-C594 HydrophobicContact CD-CB 4.29Å; K581-C594 HydrophobicContact CG-CB 4.33Å; C582-C594 WeakPolarHBondContact O-CA 3.3Å; C582-C594 WeakPolarHBondContact O-CB 3.33Å; C584-C594 HydrophobicContact CB-CB 4.07Å; C584-C594 WeakPolarHBondContact CB-SG 3.02Å; C584-C594 WeakPolarHBondContact SG-CB 3.35Å; C584-C594 CovalentContact SG-SG 2.04Å; C584-C594 PolarHBondContact SG-SG 2.04Å
595	N	96.1	Very high	92.6	Very high	94 Å²	94	94.2 Å²	94.2	50%	0.503	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	161.9	164.1	-70.2	-19.7	0	0	0	109.6	K581 C582 E583	K581-N595 WeakPolarHBondContact CA-O 2.99Å; C582-N595 PolarHBondContact N-O 2.91Å; C582-N595 PolarHBondContact O-N 3.3Å; C582-N595 PolarHBondContact SG-O 3.31Å; E583-N595 HydrophobicContact CB-CB 4.42Å; E583-N595 PolarHBondContact OE2-ND2 2.96Å
596	I	95.7	Very high	92.6	Very high	117 Å²	117	87.5 Å²	87.5	60%	0.6	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.8	169.3	-59.6	176.3	0	0	0	106.9	E579	E579-I596 HydrophobicContact CB-CG2 3.8Å; E579-I596 HydrophobicContact CG-CG2 4Å
597	C	95.6	Very high	92.4	Very high	45 Å²	45	85.3 Å²	85.3	30%	0.304	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	144.1	173.1	-70	0	0	0	0	109.6	E579 Q580 C582	E579-C597 WeakPolarHBondContact CA-O 3.06Å; Q580-C597 PolarHBondContact N-O 3.44Å; Q580-C597 PolarHBondContact O-N 3.35Å; C582-C597 HydrophobicContact CB-CB 3.62Å; C582-C597 WeakPolarHBondContact CB-SG 3.45Å; C582-C597 WeakPolarHBondContact SG-CB 3.31Å; C582-C597 PolarHBondContact SG-N 2.7Å; C582-C597 CovalentContact SG-SG 2.02Å; C582-C597 PolarHBondContact SG-SG 2.72Å
598	R	94.6	Very high	91.8	Very high	162 Å²	162	91.3 Å²	91.3	61%	0.611	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.4	166.1	-74.3	174.5	-177.1	177.1	1	109	E577 R578 E579	E577-R598 HydrophobicContact CG-CB 3.85Å; E577-R598 HydrophobicContact CG-CG 4.12Å; E577-R598 WeakPolarHBondContact OE1-CB 3.4Å; R578-R598 WeakPolarHBondContact O-CA 3.39Å; E579-R598 HydrophobicContact CG-CG 3.69Å; E579-R598 IonicContact OE1-CZ 2.82Å; E579-R598 IonicContact OE1-NE 2.69Å; E579-R598 PolarHBondContact OE1-NE 2.92Å; E579-R598 IonicContact OE1-NH2 3.19Å; E579-R598 PolarHBondContact OE1-NH2 2.86Å
599	D	91.1	Very high	92	Very high	73 Å²	73	84 Å²	84	39%	0.39	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	179.8	-176	10.3	0	0	0	109.6	E577 R578 Q580 T601	E577-D599 CarbonylContact C-O 3.56Å; E577-D599 WeakPolarHBondContact CA-O 3.06Å; R578-D599 PolarHBondContact N-O 3.28Å; R578-D599 PolarHBondContact O-N 2.83Å; Q580-D599 VanDerWaalsContact NE2-CB 3.29Å; Q580-D599 PolarHBondContact NE2-OD2 3.25Å; D599-T601 PolarHBondContact O-N 3.39Å
600	K	92.2	Very high	92.4	Very high	147 Å²	147	83.4 Å²	83.4	64%	0.639	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	93.1	-177.4	-71.3	-168.5	175.5	-169.3	0	109.7
601	T	90.7	Very high	93	Very high	38 Å²	38	82.3 Å²	82.3	23%	0.233	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.7	177.6	-48.8	0	0	0	0	110.9	L576 D599 L603	L576-T601 PolarHBondContact N-O 3.48Å; L576-T601 PolarHBondContact O-N 2.74Å; D599-T601 PolarHBondContact O-N 3.39Å; T601-L603 HydrophobicContact CG2-CD2 3.66Å; T601-L603 HydrophobicContact CG2-CG 4.35Å
602	T	92.3	Very high	93	Very high	76 Å²	76	81.9 Å²	81.9	47%	0.466	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.4	162.7	41	0	0	0	0	110.3	E575	E575-T602 HydrophobicContact CG-CG2 3.87Å
603	L	92.5	Very high	93	Very high	11 Å²	11	82.1 Å²	82.1	6%	0.058	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.6	171.9	-58.6	-173.3	0	0	0	110.6	T573 L574 L576 T601	T573-L603 WeakPolarHBondContact CA-O 3.35Å; L574-L603 PolarHBondContact N-O 3.46Å; L574-L603 PolarHBondContact O-N 2.8Å; L576-L603 HydrophobicContact CD1-CD1 3.61Å; L576-L603 HydrophobicContact CD1-CG 4.25Å; T601-L603 HydrophobicContact CG2-CD2 3.66Å; T601-L603 HydrophobicContact CG2-CG 4.35Å
604	H	94.5	Very high	92.8	Very high	27 Å²	27	78.2 Å²	78.2	13%	0.125	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133	174.5	-48.4	-74.1	0	0	0	109.6	Q550 C551 Y571 D572 T573	Q550-H604 CarbonylContact C-O 3.57Å; Q550-H604 VanDerWaalsContact CA-O 3.29Å; Q550-H604 WeakPolarHBondContact CA-O 3.07Å; C551-H604 PolarHBondContact N-O 3.37Å; Y571-H604 HydrophobicContact CD2-CB 3.8Å; Y571-H604 AromaticContact CD2-ND1 3.85Å; Y571-H604 HydrophobicContact CE2-CB 4.32Å; Y571-H604 AromaticContact CE2-ND1 3.62Å; D572-H604 CarbonylContact O-C 3.47Å; D572-H604 VanDerWaalsContact O-CA 3.29Å; D572-H604 WeakPolarHBondContact O-CA 3.17Å; T573-H604 WeakPolarHBondContact CG2-ND1 3.09Å; T573-H604 PolarHBondContact OG1-ND1 3.23Å
605	H	93.8	Very high	92.5	Very high	45 Å²	45	81.2 Å²	81.2	21%	0.208	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.7	179.4	-60.8	93.9	0	0	0	110.7	G548 R549 Y571 D572	G548-H605 PolarHBondContact O-CD2 3.02Å; R549-H605 CarbonylContact O-C 3.59Å; R549-H605 WeakPolarHBondContact O-CA 3.02Å; Y571-H605 CarbonylContact C-O 3.59Å; Y571-H605 WeakPolarHBondContact CA-O 3.49Å; Y571-H605 VanDerWaalsContact CB-O 3.28Å; Y571-H605 WeakPolarHBondContact CB-O 3.28Å; D572-H605 PolarHBondContact N-O 3.03Å; D572-H605 PolarHBondContact O-N 2.03Å
606	C	94.1	Very high	92.2	Very high	3 Å²	3	80.2 Å²	80.2	2%	0.02	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.2	176.5	-60.6	0	0	0	0	111.7	I546 G548 R549 C566	I546-C606 WeakPolarHBondContact O-CB 3.47Å; G548-C606 PolarHBondContact N-O 2.72Å; R549-C606 PolarHBondContact O-N 3.4Å; C566-C606 WeakPolarHBondContact CA-SG 3.34Å; C566-C606 HydrophobicContact CB-CB 3.54Å; C566-C606 WeakPolarHBondContact CB-SG 3.43Å; C566-C606 WeakPolarHBondContact SG-CA 3.44Å; C566-C606 WeakPolarHBondContact SG-CB 3.38Å; C566-C606 CovalentContact SG-SG 2.04Å; C566-C606 PolarHBondContact SG-SG 3.09Å
607	K	91.7	Very high	91.9	Very high	79 Å²	79	77.2 Å²	77.2	34%	0.343	37%	0.368	S	S	.	.			trans	-65.7	161.3	177.8	-77	-178	170.5	-172.2	0	112.8	A547 G570 D572	A547-K607 WeakPolarHBondContact CA-O 3.22Å; G570-K607 PolarHBondContact O-N 2.91Å; G570-K607 VanDerWaalsContact O-N 3.1Å; D572-K607 WeakPolarHBondContact OD1-CE 3.46Å; D572-K607 IonicContact OD1-NZ 2.78Å; D572-K607 PolarHBondContact OD1-NZ 2.82Å; D572-K607 WeakPolarHBondContact OD2-CE 3.43Å; D572-K607 WeakPolarHBondContact OD2-CG 3.49Å
608	H	80.1	Confident	91.6	Very high	220 Å²	220	80.1 Å²	80.1	100%	1.019	37%	0.374	S	S	*	.			trans	-73.7	0	171.6	-80.5	-89.4	0	0	0	111.7	A547	A547-H608 HydrophobicContact CB-CB 4.4Å

Retrieved 608 of 608 residues in 672.1 ms (Link to these results)

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