G4LX23_SCHMA Loading...

DUF3800 domain-containing protein

AlphaFold DB , UniProt , Accession G4LX23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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	37.5	Very low	40.8	Very low	236 Å²	236	178.9 Å²	178.9	100%	1.163	84%	0.844	S	S	*	*				0	100.7	0	-78.2	179.8	171.8	0	0	110.2
2	R	38.9	Very low	40.7	Very low	249 Å²	249	176.3 Å²	176.3	94%	0.94	83%	0.831	S	S	*	*			trans	161.4	90.3	148.5	-95	-179	-92.6	179.3	-6.6	109.2
3	N	33.9	Very low	40.4	Very low	163 Å²	163	173 Å²	173	87%	0.872	82%	0.815	S	S	*	*			trans	-80.5	136.6	156.5	-78.3	-22.2	0	0	0	107.5
4	K	44.9	Very low	40.5	Very low	177 Å²	177	167.9 Å²	167.9	77%	0.77	80%	0.796	S	S	*	*			trans	-167.1	121.2	149.1	-111.2	178.9	177.8	-170.5	0	113.2
5	E	39.4	Very low	40.8	Very low	159 Å²	159	160.9 Å²	160.9	74%	0.743	76%	0.759	S	S	*	*			trans	70.5	81.8	138	-70.3	162.4	-168.5	0	0	119
6	I	43.2	Very low	41	Very low	172 Å²	172	157.1 Å²	157.1	88%	0.882	74%	0.743	S	S	*	*			trans	-115.3	76.8	151.9	-54.3	174.2	0	0	0	107.2
7	M	37.9	Very low	41.3	Very low	178 Å²	178	153.9 Å²	153.9	88%	0.877	73%	0.732	S	S	*	*			trans	-150.7	109.2	168.6	-68.2	-158.5	82.9	0	0	108.7
8	S	46.8	Very low	41.8	Very low	98 Å²	98	148 Å²	148	69%	0.685	71%	0.706	S	S	*	*	S	Bend	trans	159.8	-2.3	149.3	49.7	0	0	0	0	116.7
9	Y	44	Very low	42	Very low	198 Å²	198	142.7 Å²	142.7	78%	0.776	69%	0.686	S	S	*	*	S	Bend	trans	-89.2	-13.2	-176.1	-87.5	-83.5	0	0	0	116.8
10	Q	40.2	Very low	42.2	Very low	169 Å²	169	141.4 Å²	141.4	79%	0.79	68%	0.681	S	S	*	*	H	α-helix	trans	-83.1	-27.4	-177.1	-76.1	176.1	-41	0	0	113.5	E12 H13	Q10-E12 PolarHBondContact O-N 3.25Å; Q10-H13 PolarHBondContact O-N 2.95Å
11	Q	41.6	Very low	42.5	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	68%	0.682	S	S	*	*	H	α-helix	trans	-73.3	-26.1	-170.9	-162.9	170.2	11.8	0	0	114.1
12	E	39.7	Very low	43.4	Very low	147 Å²	147	133.6 Å²	133.6	69%	0.687	63%	0.633	S	S	*	*	H	α-helix	trans	-78.6	-32.5	176.6	-78.6	-173.4	157	0	0	112.9	Q10 Y15	Q10-E12 PolarHBondContact O-N 3.25Å; E12-Y15 WeakPolarHBondContact O-CB 3.33Å; E12-Y15 PolarHBondContact O-N 2.98Å
13	H	36.6	Very low	44	Very low	134 Å²	134	124.8 Å²	124.8	62%	0.62	61%	0.607	S	S	*	*	H	α-helix	trans	-69.8	-43	-177.5	-106.9	-74.2	0	0	0	112.4	Q10 Y15 I16	Q10-H13 PolarHBondContact O-N 2.95Å; H13-Y15 PolarHBondContact O-N 3.21Å; H13-I16 PolarHBondContact O-N 3.18Å
14	D	42.8	Very low	45.1	Very low	102 Å²	102	118.1 Å²	118.1	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-62.8	-26.6	177.4	-66.1	-18.1	0	0	0	112	D18	D14-D18 WeakPolarHBondContact O-CB 3.37Å; D14-D18 PolarHBondContact O-N 2.96Å
15	Y	44.3	Very low	46.3	Very low	62 Å²	62	111.2 Å²	111.2	24%	0.243	55%	0.551	C	S	.	*	H	α-helix	trans	-72.2	-38.4	-176.4	-153.5	-103.9	0	0	0	113.3	E12 H13 C19 M120 Y121	E12-Y15 WeakPolarHBondContact O-CB 3.33Å; E12-Y15 PolarHBondContact O-N 2.98Å; H13-Y15 PolarHBondContact O-N 3.21Å; Y15-C19 WeakPolarHBondContact O-CB 3.27Å; Y15-C19 PolarHBondContact O-N 2.92Å; Y15-M120 HydrophobicContact CD2-CB 4.38Å; Y15-M120 HydrophobicContact CD2-CE 4.08Å; Y15-M120 HydrophobicContact CE2-CB 3.51Å; Y15-M120 HydrophobicContact CE2-CE 4.15Å; Y15-M120 PolarHBondContact OH-O 3.48Å; Y15-Y121 HydrophobicContact CE1-CD1 4.33Å; Y15-Y121 HydrophobicContact CE1-CE1 4.27Å; Y15-Y121 AromaticContact CZ-CD1 3.97Å; Y15-Y121 AromaticContact CZ-CE1 3.99Å; Y15-Y121 WeakPolarHBondContact OH-CA 3.44Å; Y15-Y121 WeakPolarHBondContact OH-CB 3.1Å; Y15-Y121 WeakPolarHBondContact OH-CD1 3.23Å; Y15-Y121 WeakPolarHBondContact OH-CD2 3.13Å; Y15-Y121 WeakPolarHBondContact OH-CE1 3.02Å; Y15-Y121 WeakPolarHBondContact OH-CE2 3.49Å; Y15-Y121 PolarHBondContact OH-N 3.35Å; Y15-Y121 VanDerWaalsContact OH-N 3.15Å
16	I	43.8	Very low	48.4	Very low	100 Å²	100	110.8 Å²	110.8	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-72.2	-44.6	-178.6	-64.2	173.2	0	0	0	109.9	H13 C19 L20	H13-I16 PolarHBondContact O-N 3.18Å; I16-C19 PolarHBondContact O-N 3.38Å; I16-L20 HydrophobicContact CG2-CD1 3.71Å; I16-L20 HydrophobicContact CG2-CG 4.48Å; I16-L20 WeakPolarHBondContact O-CB 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.44Å; I16-L20 PolarHBondContact O-N 3.02Å
17	D	46.4	Very low	50.6	Low	103 Å²	103	102.7 Å²	102.7	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-65.8	-43.2	-177.7	-79.1	-12.5	0	0	0	111.7	L20 R21	D17-L20 PolarHBondContact O-N 2.98Å; D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 PolarHBondContact O-N 2.99Å
18	D	50.9	Low	53.2	Low	48 Å²	48	97 Å²	97	26%	0.257	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-34.2	177.6	-80.8	-16.1	0	0	0	112.5	D14 H22 K98	D14-D18 WeakPolarHBondContact O-CB 3.37Å; D14-D18 PolarHBondContact O-N 2.96Å; D18-H22 PolarHBondContact O-CD2 3.31Å; D18-K98 VanDerWaalsContact CB-NZ 3.28Å; D18-K98 VanDerWaalsContact CG-NZ 3.3Å; D18-K98 IonicContact OD2-NZ 3.97Å; D18-K98 PolarHBondContact OD2-NZ 2.77Å
19	C	45.5	Very low	55.6	Low	48 Å²	48	92.4 Å²	92.4	32%	0.324	44%	0.444	S	S	.	.	H	α-helix	trans	-70.2	-35.6	176	-157.3	0	0	0	0	111.6	Y15 I16	Y15-C19 WeakPolarHBondContact O-CB 3.27Å; Y15-C19 PolarHBondContact O-N 2.92Å; I16-C19 PolarHBondContact O-N 3.38Å
20	L	46.1	Very low	58.1	Low	115 Å²	115	83.6 Å²	83.6	60%	0.602	41%	0.41	S	S	*	.	H	α-helix	trans	-76.8	-25.8	177.3	-75.9	169.9	0	0	0	113.3	I16 D17 H22	I16-L20 HydrophobicContact CG2-CD1 3.71Å; I16-L20 HydrophobicContact CG2-CG 4.48Å; I16-L20 WeakPolarHBondContact O-CB 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.44Å; I16-L20 PolarHBondContact O-N 3.02Å; D17-L20 PolarHBondContact O-N 2.98Å; L20-H22 PolarHBondContact O-N 2.9Å
21	R	49	Very low	60.8	Low	183 Å²	183	78.1 Å²	78.1	69%	0.691	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.7	-179.5	-135.7	173.9	-177.3	179.1	-1.1	114	D17	D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 PolarHBondContact O-N 2.99Å
22	H	54.5	Low	63.4	Low	31 Å²	31	74 Å²	74	14%	0.144	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-14	-166.9	-56.4	-57.1	0	0	0	115.4	D18 L20 G24 S25 D76 R77	D18-H22 PolarHBondContact O-CD2 3.31Å; L20-H22 PolarHBondContact O-N 2.9Å; H22-G24 PolarHBondContact O-N 3.01Å; H22-G24 VanDerWaalsContact O-N 3.13Å; H22-S25 WeakPolarHBondContact CA-OG 3.44Å; H22-S25 PolarHBondContact O-N 3.13Å; H22-S25 PolarHBondContact O-OG 3.43Å; H22-D76 IonicContact CD2-OD2 2.92Å; H22-D76 PolarHBondContact CD2-OD2 3.12Å; H22-D76 IonicContact CE1-OD2 3.28Å; H22-D76 PolarHBondContact CE1-OD2 3Å; H22-D76 IonicContact CG-OD2 2.8Å; H22-D76 VanDerWaalsContact CG-OD2 3.29Å; H22-D76 IonicContact ND1-OD2 3.5Å; H22-D76 PolarHBondContact ND1-OD2 3.34Å; H22-D76 IonicContact NE2-OD2 3.55Å; H22-D76 PolarHBondContact NE2-OD2 3.48Å; H22-D76 VanDerWaalsContact NE2-OD2 3.13Å; H22-R77 PolarHBondContact CD2-NH2 2.77Å; H22-R77 VanDerWaalsContact CD2-NH2 3.32Å
23	V	52.7	Low	66.2	Low	64 Å²	64	68.1 Å²	68.1	39%	0.388	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	112.1	175.4	-177.1	0	0	0	0	108.5	D169 V170	V23-D169 HydrophobicContact CG2-CB 4.39Å; V23-V170 HydrophobicContact CG1-CG2 3.64Å
24	G	56.5	Low	69.1	Low	24 Å²	24	64.9 Å²	64.9	25%	0.247	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	22.1	178.4	0	0	0	0	0	114.9	H22 Y166 V167	H22-G24 PolarHBondContact O-N 3.01Å; H22-G24 VanDerWaalsContact O-N 3.13Å; G24-Y166 VanDerWaalsContact C-CE2 3.42Å; G24-Y166 WeakPolarHBondContact CA-OH 3.28Å; G24-Y166 WeakPolarHBondContact O-CE2 3.26Å; G24-V167 WeakPolarHBondContact CA-O 3.46Å; G24-V167 PolarHBondContact N-O 3.31Å
25	S	70.3	Confident	71.7	Confident	32 Å²	32	60 Å²	60	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	150.1	171.5	68.2	0	0	0	0	111.6	H22 V167	H22-S25 WeakPolarHBondContact CA-OG 3.44Å; H22-S25 PolarHBondContact O-N 3.13Å; H22-S25 PolarHBondContact O-OG 3.43Å; S25-V167 PolarHBondContact O-N 2.66Å; S25-V167 VanDerWaalsContact O-N 3.12Å
26	K	83.8	Confident	74.1	Confident	150 Å²	150	57.5 Å²	57.5	65%	0.652	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.2	168	-68	-178.8	179.9	179.9	0	107.7	V165	K26-V165 CarbonylContact C-O 3.52Å; K26-V165 WeakPolarHBondContact CA-O 3.27Å
27	Q	89.7	Confident	76.6	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.3	176.1	-62.8	-163.9	-26.7	0	0	110.7	L74 D76 Q164 V165 V167	Q27-L74 HydrophobicContact CB-CB 4.4Å; Q27-L74 VanDerWaalsContact OE1-CB 3.24Å; Q27-D76 VanDerWaalsContact NE2-CG 3.3Å; Q27-D76 PolarHBondContact NE2-OD1 2.93Å; Q27-D76 PolarHBondContact OE1-OD1 3.33Å; Q27-Q164 CarbonylContact O-C 3.54Å; Q27-Q164 WeakPolarHBondContact O-CA 3.44Å; Q27-V165 PolarHBondContact N-O 2.93Å; Q27-V165 WeakPolarHBondContact O-CG2 3.37Å; Q27-V165 PolarHBondContact O-N 3.33Å; Q27-V167 HydrophobicContact CB-CG2 4.07Å; Q27-V167 HydrophobicContact CG-CG2 3.88Å
28	H	93.1	Very high	79	Confident	59 Å²	59	48 Å²	48	27%	0.273	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129	170	-65.6	93.7	0	0	0	110.7	F30 L74 E75 S161 Q164	H28-F30 HydrophobicContact CB-CE1 4.16Å; H28-F30 HydrophobicContact CB-CE2 3.9Å; H28-F30 HydrophobicContact CB-CZ 3.64Å; H28-L74 WeakPolarHBondContact O-CA 3.32Å; H28-E75 HydrophobicContact CB-CG 4.05Å; H28-E75 WeakPolarHBondContact CB-OE1 3.32Å; H28-E75 IonicContact CE1-OE1 3.67Å; H28-E75 IonicContact CG-OE1 3.37Å; H28-E75 PolarHBondContact N-OE1 3.31Å; H28-E75 IonicContact ND1-OE1 2.62Å; H28-E75 PolarHBondContact ND1-OE1 2.84Å; H28-E75 PolarHBondContact O-N 3.36Å; H28-S161 PolarHBondContact CD2-OG 3.12Å; H28-Q164 PolarHBondContact CE1-NE2 3.24Å; H28-Q164 PolarHBondContact NE2-NE2 3.37Å
29	L	95.6	Very high	81.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.2	170	174.8	64.4	0	0	0	108.9	Y31 E32 L74 S161 I162 R163 V165	L29-Y31 WeakPolarHBondContact CD1-O 3.36Å; L29-E32 HydrophobicContact CD1-CB 4.41Å; L29-E32 HydrophobicContact CD2-CB 4.35Å; L29-L74 HydrophobicContact CB-CD2 4.1Å; L29-L74 HydrophobicContact CD1-CD2 3.71Å; L29-S161 CarbonylContact O-C 3.54Å; L29-I162 WeakPolarHBondContact O-CB 3.49Å; L29-I162 PolarHBondContact O-N 3.49Å; L29-R163 HydrophobicContact CB-CG 4.21Å; L29-R163 HydrophobicContact CD2-CG 4.02Å; L29-R163 PolarHBondContact N-O 2.99Å; L29-V165 HydrophobicContact CB-CG1 4.15Å; L29-V165 HydrophobicContact CB-CG2 4.38Å; L29-V165 HydrophobicContact CD2-CG1 4.29Å
30	F	96.7	Very high	83.5	Confident	13 Å²	13	46.3 Å²	46.3	6%	0.057	22%	0.221	C	C	.	.			trans	-97.3	-33	-178.7	-62.6	-75.2	0	0	0	113.1	H28 L73 E75 Y144 L156 L159	H28-F30 HydrophobicContact CB-CE1 4.16Å; H28-F30 HydrophobicContact CB-CE2 3.9Å; H28-F30 HydrophobicContact CB-CZ 3.64Å; F30-L73 PolarHBondContact N-O 2.94Å; F30-E75 HydrophobicContact CE2-CB 4.47Å; F30-E75 HydrophobicContact CE2-CG 3.78Å; F30-E75 HydrophobicContact CZ-CG 4.2Å; F30-Y144 HydrophobicContact CB-CD1 4.33Å; F30-Y144 HydrophobicContact CB-CE1 3.94Å; F30-L156 HydrophobicContact CB-CD1 4.38Å; F30-L156 HydrophobicContact CD2-CB 3.79Å; F30-L156 HydrophobicContact CD2-CD1 3.85Å; F30-L156 HydrophobicContact CD2-CG 4.47Å; F30-L156 HydrophobicContact CE2-CB 3.71Å; F30-L156 HydrophobicContact CG-CD1 4.37Å; F30-L156 HydrophobicContact CZ-CB 4.44Å; F30-L159 HydrophobicContact CD1-CB 3.51Å; F30-L159 HydrophobicContact CD1-CD1 4.42Å; F30-L159 HydrophobicContact CE1-CB 3.78Å; F30-L159 WeakPolarHBondContact CE1-O 3.2Å; F30-L159 HydrophobicContact CG-CB 4.37Å
31	Y	97.3	Very high	85.8	Confident	53 Å²	53	42 Å²	42	21%	0.208	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	141	-179.6	-167.5	-115	0	0	0	110.8	L29 T33 L73 T137 T140 V141	L29-Y31 WeakPolarHBondContact CD1-O 3.36Å; Y31-T33 HydrophobicContact CD1-CG2 4.25Å; Y31-T33 HydrophobicContact CE1-CG2 3.78Å; Y31-L73 HydrophobicContact CD1-CD1 4.07Å; Y31-L73 PolarHBondContact O-N 3.26Å; Y31-T137 HydrophobicContact CE1-CG2 4.25Å; Y31-T140 HydrophobicContact CD1-CG2 4.33Å; Y31-T140 HydrophobicContact CD2-CG2 4.39Å; Y31-T140 HydrophobicContact CE1-CG2 4.07Å; Y31-T140 HydrophobicContact CE2-CG2 4.14Å; Y31-T140 HydrophobicContact CG-CG2 4.48Å; Y31-V141 HydrophobicContact CD1-CG2 4.13Å; Y31-V141 HydrophobicContact CE1-CG2 3.97Å
32	E	96.9	Very high	88	Confident	84 Å²	84	37 Å²	37	39%	0.393	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.9	178.2	-172.8	168.2	86.7	0	0	109.3	L29 T70 G71 S72 R163	L29-E32 HydrophobicContact CD1-CB 4.41Å; L29-E32 HydrophobicContact CD2-CB 4.35Å; E32-T70 HydrophobicContact CG-CG2 3.48Å; E32-T70 VanDerWaalsContact CG-CG2 3.48Å; E32-G71 WeakPolarHBondContact CA-O 3.45Å; E32-S72 PolarHBondContact OE2-OG 3.33Å; E32-R163 IonicContact OE1-NH2 3.95Å; E32-R163 IonicContact OE2-NH2 2.59Å; E32-R163 PolarHBondContact OE2-NH2 3.24Å
33	T	97.6	Very high	89.8	Confident	23 Å²	23	35.9 Å²	35.9	14%	0.141	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	160.7	-177	-163.7	0	0	0	0	113.8	Y31 V35 G71 T137 V141	Y31-T33 HydrophobicContact CD1-CG2 4.25Å; Y31-T33 HydrophobicContact CE1-CG2 3.78Å; T33-V35 HydrophobicContact CG2-CG2 3.81Å; T33-V35 PolarHBondContact O-N 3.24Å; T33-G71 PolarHBondContact N-O 3.41Å; T33-G71 PolarHBondContact O-N 2.85Å; T33-T137 HydrophobicContact CG2-CG2 3.69Å; T33-T137 WeakPolarHBondContact OG1-CG2 3.2Å; T33-V141 HydrophobicContact CG2-CG2 3.77Å
34	H	97.1	Very high	91.5	Very high	66 Å²	66	34.2 Å²	34.2	31%	0.306	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.2	173.5	174.6	-75.3	0	0	0	111.1	C36 H68 N83	H34-C36 PolarHBondContact CE1-SG 2.95Å; H34-H68 AromaticContact CE1-ND1 3.41Å; H34-H68 PolarHBondContact CE1-ND1 3.48Å; H34-H68 AromaticContact NE2-CG 3.95Å; H34-H68 AromaticContact NE2-ND1 3.07Å; H34-H68 PolarHBondContact NE2-ND1 3.42Å; H34-N83 PolarHBondContact CD2-ND2 2.99Å
35	V	97.2	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.9	176.6	-174.5	0	0	0	0	109.2	T33 C69 F80 F113 Y130 K131	T33-V35 HydrophobicContact CG2-CG2 3.81Å; T33-V35 PolarHBondContact O-N 3.24Å; V35-C69 PolarHBondContact N-O 3.11Å; V35-C69 CarbonylContact O-C 3.41Å; V35-C69 PolarHBondContact O-N 3.47Å; V35-C69 PolarHBondContact O-SG 3.18Å; V35-F80 HydrophobicContact CG1-CE1 4.24Å; V35-F113 HydrophobicContact CG1-CZ 4.44Å; V35-Y130 HydrophobicContact CG1-CD1 3.71Å; V35-Y130 HydrophobicContact CG1-CG 4.31Å; V35-K131 CarbonylContact C-O 3.56Å
36	C	96.7	Very high	93.8	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.054	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132	164.6	-56.5	0	0	0	0	109	H34 I38 R65 S67 Y130 K131	H34-C36 PolarHBondContact CE1-SG 2.95Å; C36-I38 HydrophobicContact CB-CD1 3.8Å; C36-R65 HydrophobicContact CB-CG 4.3Å; C36-S67 CarbonylContact C-O 3.47Å; C36-S67 WeakPolarHBondContact CA-O 3.37Å; C36-Y130 WeakPolarHBondContact O-CA 3.35Å; C36-K131 HydrophobicContact CB-CB 4.21Å; C36-K131 PolarHBondContact N-O 2.82Å; C36-K131 PolarHBondContact O-N 2.97Å
37	T	96	Very high	94.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.9	163.8	71.7	0	0	0	0	108.1	Q66 S67 P90 F91 Y130	T37-Q66 PolarHBondContact O-N 3.23Å; T37-Q66 WeakPolarHBondContact OG1-CB 3.47Å; T37-S67 PolarHBondContact N-O 3.03Å; T37-S67 PolarHBondContact O-N 2.72Å; T37-S67 PolarHBondContact OG1-N 2.76Å; T37-S67 VanDerWaalsContact OG1-N 3.11Å; T37-S67 PolarHBondContact OG1-OG 3.17Å; T37-P90 HydrophobicContact CG2-CB 3.69Å; T37-F91 HydrophobicContact CG2-CD2 4.41Å; T37-F91 HydrophobicContact CG2-CE2 4.42Å; T37-Y130 HydrophobicContact CG2-CD1 4.17Å; T37-Y130 HydrophobicContact CG2-CE1 3.78Å
38	I	96.4	Very high	94.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-63.5	-170.5	-57.9	-60.7	0	0	0	111.5	C36 Y61 K64 R65 Q66 F112 I129 K131	C36-I38 HydrophobicContact CB-CD1 3.8Å; I38-Y61 WeakPolarHBondContact CG2-O 3.42Å; I38-K64 CarbonylContact O-C 3.56Å; I38-R65 HydrophobicContact CD1-CB 4.09Å; I38-R65 HydrophobicContact CD1-CG 4.16Å; I38-Q66 PolarHBondContact O-N 3.31Å; I38-F112 HydrophobicContact CD1-CE1 4.23Å; I38-F112 HydrophobicContact CG1-CD1 4.27Å; I38-F112 HydrophobicContact CG1-CE1 4.02Å; I38-I129 WeakPolarHBondContact CA-O 3.39Å; I38-I129 HydrophobicContact CB-CB 4.06Å; I38-I129 HydrophobicContact CB-CG2 3.84Å; I38-I129 VanDerWaalsContact CB-O 3.3Å; I38-I129 WeakPolarHBondContact CB-O 3.23Å; I38-I129 HydrophobicContact CG1-CG2 4.27Å; I38-I129 HydrophobicContact CG2-CB 4.46Å; I38-I129 HydrophobicContact CG2-CG2 4.08Å; I38-I129 PolarHBondContact N-O 3.49Å; I38-K131 HydrophobicContact CD1-CB 3.79Å; I38-K131 HydrophobicContact CG1-CB 3.84Å
39	Y	95.7	Very high	94.5	Very high	57 Å²	57	43.3 Å²	43.3	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.9	177.3	-155	-107.4	0	0	0	110.9	I41 Y61 K64 F91 I129	Y39-I41 HydrophobicContact CD1-CD1 3.7Å; Y39-I41 HydrophobicContact CD1-CG1 3.78Å; Y39-I41 HydrophobicContact CE1-CD1 4.43Å; Y39-I41 HydrophobicContact CE1-CG1 4Å; Y39-Y61 AromaticContact CD1-CD1 3.76Å; Y39-Y61 HydrophobicContact CD1-CD1 3.76Å; Y39-Y61 AromaticContact CD1-CD2 3.72Å; Y39-Y61 HydrophobicContact CD1-CD2 3.72Å; Y39-Y61 HydrophobicContact CD1-CE1 4.2Å; Y39-Y61 HydrophobicContact CD1-CE2 4.13Å; Y39-Y61 AromaticContact CD1-CG 3.51Å; Y39-Y61 HydrophobicContact CD1-CG 3.51Å; Y39-Y61 AromaticContact CE1-CD1 3.74Å; Y39-Y61 HydrophobicContact CE1-CD1 3.74Å; Y39-Y61 HydrophobicContact CE1-CD2 4.1Å; Y39-Y61 AromaticContact CE1-CE1 3.73Å; Y39-Y61 HydrophobicContact CE1-CE1 3.73Å; Y39-Y61 HydrophobicContact CE1-CE2 4.07Å; Y39-Y61 AromaticContact CE1-CG 3.93Å; Y39-Y61 HydrophobicContact CE1-CG 3.93Å; Y39-Y61 AromaticContact CE1-CZ 3.89Å; Y39-Y61 HydrophobicContact CE2-CD1 4.48Å; Y39-Y61 HydrophobicContact CG-CD1 4.16Å; Y39-Y61 AromaticContact CG-CG 3.94Å; Y39-Y61 HydrophobicContact CG-CG 3.94Å; Y39-K64 HydrophobicContact CD2-CB 3.77Å; Y39-K64 HydrophobicContact CD2-CG 4.43Å; Y39-K64 HydrophobicContact CE2-CB 4.3Å; Y39-F91 VanDerWaalsContact C-CZ 3.43Å; Y39-F91 VanDerWaalsContact CA-CZ 3.42Å; Y39-F91 VanDerWaalsContact N-CZ 3.35Å; Y39-I129 PolarHBondContact O-N 2.95Å
40	R	94.7	Very high	94.6	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	174.7	173	-169.1	-77.9	174.9	1.3	109.2	F91 R92 Y126 Y127 E128 S175 N178	R40-F91 HydrophobicContact CB-CD1 4.08Å; R40-F91 HydrophobicContact CB-CD2 4.1Å; R40-F91 HydrophobicContact CB-CE1 4.21Å; R40-F91 HydrophobicContact CB-CE2 4.22Å; R40-F91 HydrophobicContact CB-CG 4.06Å; R40-F91 HydrophobicContact CB-CZ 4.33Å; R40-F91 PolarHBondContact NH1-O 2.81Å; R40-F91 PolarHBondContact NH2-O 3.04Å; R40-R92 VanDerWaalsContact CZ-NH2 3.32Å; R40-R92 VanDerWaalsContact NH2-NH2 3.11Å; R40-Y126 HydrophobicContact CG-CD1 3.79Å; R40-Y126 HydrophobicContact CG-CG 4.38Å; R40-Y127 CarbonylContact C-O 3.58Å; R40-Y127 WeakPolarHBondContact CA-O 3.44Å; R40-E128 HydrophobicContact CB-CG 4.19Å; R40-E128 HydrophobicContact CG-CG 3.97Å; R40-E128 IonicContact CZ-OE1 3.11Å; R40-E128 IonicContact NE-OE1 3.2Å; R40-E128 PolarHBondContact NE-OE1 3.4Å; R40-E128 IonicContact NH2-OE1 2.77Å; R40-E128 PolarHBondContact NH2-OE1 3.35Å; R40-S175 PolarHBondContact NH1-O 3.13Å; R40-N178 PolarHBondContact O-ND2 2.86Å
41	I	94.8	Very high	94.6	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.128	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.8	176.2	-53	91.5	0	0	0	108.4	Y39 L57 Y61 Y126 Y127 I129	Y39-I41 HydrophobicContact CD1-CD1 3.7Å; Y39-I41 HydrophobicContact CD1-CG1 3.78Å; Y39-I41 HydrophobicContact CE1-CD1 4.43Å; Y39-I41 HydrophobicContact CE1-CG1 4Å; I41-L57 HydrophobicContact CB-CD1 4.47Å; I41-L57 HydrophobicContact CD1-CB 4.24Å; I41-L57 HydrophobicContact CD1-CD1 4.25Å; I41-L57 HydrophobicContact CD1-CD2 4.43Å; I41-L57 HydrophobicContact CG1-CD1 4.45Å; I41-L57 HydrophobicContact CG1-CD2 4.25Å; I41-Y61 HydrophobicContact CD1-CD2 3.99Å; I41-Y61 HydrophobicContact CD1-CE2 4.26Å; I41-Y61 HydrophobicContact CG1-CD2 4.21Å; I41-Y61 HydrophobicContact CG1-CE2 3.98Å; I41-Y126 CarbonylContact O-C 3.46Å; I41-Y126 VanDerWaalsContact O-CA 3.23Å; I41-Y126 WeakPolarHBondContact O-CA 3.35Å; I41-Y127 PolarHBondContact N-O 3.06Å; I41-Y127 PolarHBondContact O-N 3.31Å; I41-I129 HydrophobicContact CD1-CD1 3.98Å
42	N	94	Very high	94.6	Very high	77 Å²	77	52.7 Å²	52.7	41%	0.412	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.5	170.4	-64.4	11.6	0	0	0	108.7	R125 Y126	N42-R125 CarbonylContact C-O 3.43Å; N42-R125 WeakPolarHBondContact CA-O 3.1Å; N42-Y126 WeakPolarHBondContact OD1-CD1 3.11Å; N42-Y126 WeakPolarHBondContact OD1-CE1 3.27Å
43	A	93.1	Very high	94.6	Very high	9 Å²	9	53.1 Å²	53.1	7%	0.074	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-77.6	148.3	169.5	0	0	0	0	0	109.4	E47 F49 R125 Y127	A43-E47 WeakPolarHBondContact CA-OE2 3.44Å; A43-E47 HydrophobicContact CB-CB 4.46Å; A43-F49 HydrophobicContact CB-CE1 3.99Å; A43-R125 HydrophobicContact CB-CB 3.89Å; A43-R125 PolarHBondContact N-O 3.2Å; A43-Y127 HydrophobicContact CB-CD2 4.06Å; A43-Y127 HydrophobicContact CB-CE2 3.73Å
44	G	89.6	Confident	94.6	Very high	28 Å²	28	52 Å²	52	29%	0.289	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-61.2	152.4	172.4	0	0	0	0	0	111.4	A46 E47	G44-A46 PolarHBondContact O-N 3.02Å; G44-E47 PolarHBondContact N-OE2 3.02Å; G44-E47 WeakPolarHBondContact O-CB 3.25Å; G44-E47 PolarHBondContact O-N 2.97Å
45	P	84.7	Confident	94.6	Very high	131 Å²	131	50.9 Å²	50.9	85%	0.851	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.2	-178	21.5	-32.2	0	0	0	112.7	R125	P45-R125 PolarHBondContact O-NH1 2.83Å
46	A	88.4	Confident	94.6	Very high	86 Å²	86	56.8 Å²	56.8	71%	0.711	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	4.4	177.6	0	0	0	0	0	114.1	G44 H48	G44-A46 PolarHBondContact O-N 3.02Å; A46-H48 PolarHBondContact O-N 3.21Å
47	E	91.8	Very high	94.6	Very high	51 Å²	51	56.6 Å²	56.6	24%	0.238	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-73.9	121.7	-177.6	-175.9	-179.2	164	0	0	110.2	A43 G44 R53 R125 Y127	A43-E47 WeakPolarHBondContact CA-OE2 3.44Å; A43-E47 HydrophobicContact CB-CB 4.46Å; G44-E47 PolarHBondContact N-OE2 3.02Å; G44-E47 WeakPolarHBondContact O-CB 3.25Å; G44-E47 PolarHBondContact O-N 2.97Å; E47-R53 WeakPolarHBondContact OE1-CG 3.39Å; E47-R53 IonicContact OE1-NE 3.69Å; E47-R125 PolarHBondContact O-NH1 3.15Å; E47-R125 PolarHBondContact O-NH2 3.16Å; E47-Y127 WeakPolarHBondContact OE1-CE2 3.26Å; E47-Y127 PolarHBondContact OE1-OH 2.89Å
48	H	94.5	Very high	94.7	Very high	163 Å²	163	56.6 Å²	56.6	76%	0.755	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-75.6	134.4	170.2	-66.8	-72.9	0	0	0	110.2	A46 S50	A46-H48 PolarHBondContact O-N 3.21Å; H48-S50 PolarHBondContact O-N 3.28Å
49	F	96.6	Very high	94.7	Very high	27 Å²	27	60.9 Å²	60.9	12%	0.118	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63.1	134.3	172.3	-67.2	-53.5	0	0	0	109.2	A43 K101 E102 C116 R125 Y127	A43-F49 HydrophobicContact CB-CE1 3.99Å; F49-K101 HydrophobicContact CD2-CB 3.86Å; F49-K101 HydrophobicContact CD2-CG 4.35Å; F49-K101 HydrophobicContact CE2-CB 3.95Å; F49-K101 HydrophobicContact CE2-CG 4Å; F49-E102 HydrophobicContact CB-CG 4.33Å; F49-C116 HydrophobicContact CB-CB 4.03Å; F49-C116 HydrophobicContact CD1-CB 3.55Å; F49-C116 HydrophobicContact CD2-CB 3.7Å; F49-C116 HydrophobicContact CE1-CB 3.78Å; F49-C116 HydrophobicContact CE2-CB 3.92Å; F49-C116 HydrophobicContact CG-CB 3.5Å; F49-C116 HydrophobicContact CZ-CB 3.96Å; F49-R125 VanDerWaalsContact CD2-NH2 3.28Å; F49-R125 VanDerWaalsContact CE2-NH2 3.35Å; F49-R125 HydrophobicContact CZ-CB 3.94Å; F49-Y127 HydrophobicContact CD1-CD1 4.28Å; F49-Y127 AromaticContact CD1-CE1 3.65Å; F49-Y127 HydrophobicContact CD1-CE1 3.65Å; F49-Y127 HydrophobicContact CD1-CE2 4.03Å; F49-Y127 AromaticContact CD1-CZ 3.53Å; F49-Y127 HydrophobicContact CE1-CD2 4.4Å; F49-Y127 HydrophobicContact CE1-CE1 4.28Å; F49-Y127 HydrophobicContact CE1-CE2 4.13Å
50	S	96.7	Very high	94.7	Very high	48 Å²	48	63.9 Å²	63.9	34%	0.336	34%	0.34	S	S	.	.			trans	-144.8	149.3	177.5	62.7	0	0	0	0	111.3	H48 T52 R53 A54 Y104	H48-S50 PolarHBondContact O-N 3.28Å; S50-T52 PolarHBondContact O-N 3.36Å; S50-R53 PolarHBondContact O-N 3.46Å; S50-R53 VanDerWaalsContact OG-CB 3.28Å; S50-R53 WeakPolarHBondContact OG-CB 3.19Å; S50-R53 PolarHBondContact OG-N 3.37Å; S50-A54 WeakPolarHBondContact O-CB 3.43Å; S50-A54 PolarHBondContact O-N 3.27Å; S50-Y104 VanDerWaalsContact C-CE2 3.49Å
51	E	97.4	Very high	94.8	Very high	98 Å²	98	66 Å²	66	46%	0.458	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-47	178	-174	171.2	-170.5	0	0	111.2	R53 A54 L55 Y104	E51-R53 VanDerWaalsContact C-N 3.3Å; E51-R53 PolarHBondContact O-N 3.41Å; E51-A54 PolarHBondContact O-N 2.88Å; E51-L55 HydrophobicContact CG-CD1 3.69Å; E51-L55 HydrophobicContact CG-CG 3.97Å; E51-L55 WeakPolarHBondContact O-CB 3.47Å; E51-L55 VanDerWaalsContact O-CG 3.32Å; E51-L55 WeakPolarHBondContact O-CG 3.31Å; E51-L55 PolarHBondContact O-N 3.47Å; E51-Y104 HydrophobicContact CB-CD1 3.57Å; E51-Y104 HydrophobicContact CB-CE1 3.54Å; E51-Y104 HydrophobicContact CB-CG 4.15Å; E51-Y104 HydrophobicContact CG-CD1 3.65Å; E51-Y104 HydrophobicContact CG-CE1 4.14Å; E51-Y104 HydrophobicContact CG-CG 4.12Å; E51-Y104 VanDerWaalsContact N-CZ 3.33Å
52	T	96.9	Very high	94.8	Very high	119 Å²	119	68.4 Å²	68.4	73%	0.73	36%	0.356	S	S	*	.	H	α-helix	trans	-54.4	-46.3	179.7	-52.9	0	0	0	0	111.9	S50 Y56	S50-T52 PolarHBondContact O-N 3.36Å; T52-Y56 VanDerWaalsContact O-CB 3.3Å; T52-Y56 WeakPolarHBondContact O-CB 3.45Å; T52-Y56 PolarHBondContact O-N 3.12Å
53	R	97.2	Very high	94.9	Very high	93 Å²	93	75.1 Å²	75.1	35%	0.351	38%	0.376	S	S	.	.	H	α-helix	trans	-67.9	-46.2	179	-178.9	56.2	171.1	176.1	-1.4	111.5	E47 S50 E51 L55 Y56 L57 Y127	E47-R53 WeakPolarHBondContact OE1-CG 3.39Å; E47-R53 IonicContact OE1-NE 3.69Å; S50-R53 PolarHBondContact O-N 3.46Å; S50-R53 VanDerWaalsContact OG-CB 3.28Å; S50-R53 WeakPolarHBondContact OG-CB 3.19Å; S50-R53 PolarHBondContact OG-N 3.37Å; E51-R53 VanDerWaalsContact C-N 3.3Å; E51-R53 PolarHBondContact O-N 3.41Å; R53-L55 PolarHBondContact O-N 2.78Å; R53-Y56 PolarHBondContact O-N 3.24Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 VanDerWaalsContact O-CG 3.26Å; R53-L57 WeakPolarHBondContact O-CG 3.32Å; R53-L57 PolarHBondContact O-N 3.24Å; R53-Y127 HydrophobicContact CG-CE1 4.31Å; R53-Y127 HydrophobicContact CG-CE2 4.2Å; R53-Y127 WeakPolarHBondContact CG-OH 3.42Å
54	A	97.6	Very high	94.9	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-59.9	-46.6	179.4	0	0	0	0	0	112	S50 E51 L57 L58 Y104 V114 Y127	S50-A54 WeakPolarHBondContact O-CB 3.43Å; S50-A54 PolarHBondContact O-N 3.27Å; E51-A54 PolarHBondContact O-N 2.88Å; A54-L57 PolarHBondContact O-N 3.36Å; A54-L58 WeakPolarHBondContact O-CB 2.95Å; A54-L58 PolarHBondContact O-N 2.91Å; A54-Y104 HydrophobicContact CB-CD2 3.35Å; A54-Y104 HydrophobicContact CB-CE2 4.09Å; A54-Y104 HydrophobicContact CB-CG 4.04Å; A54-V114 HydrophobicContact CB-CB 4.12Å; A54-V114 HydrophobicContact CB-CG1 4.02Å; A54-V114 HydrophobicContact CB-CG2 4.29Å; A54-Y127 HydrophobicContact CB-CD1 4.05Å; A54-Y127 HydrophobicContact CB-CE1 4.06Å
55	L	97.1	Very high	95.1	Very high	41 Å²	41	85.2 Å²	85.2	22%	0.215	41%	0.406	C	S	.	.	H	α-helix	trans	-68.9	-35.8	179.4	-64.1	-173.5	0	0	0	112.3	E51 R53 L58 Q59 N106	E51-L55 HydrophobicContact CG-CD1 3.69Å; E51-L55 HydrophobicContact CG-CG 3.97Å; E51-L55 WeakPolarHBondContact O-CB 3.47Å; E51-L55 VanDerWaalsContact O-CG 3.32Å; E51-L55 WeakPolarHBondContact O-CG 3.31Å; E51-L55 PolarHBondContact O-N 3.47Å; R53-L55 PolarHBondContact O-N 2.78Å; L55-L58 HydrophobicContact CD2-CD1 4.48Å; L55-L58 PolarHBondContact O-N 2.84Å; L55-Q59 WeakPolarHBondContact O-CB 3.05Å; L55-Q59 PolarHBondContact O-N 3.27Å; L55-N106 HydrophobicContact CD2-CB 3.87Å
56	Y	97.1	Very high	95.4	Very high	125 Å²	125	82 Å²	82	49%	0.49	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-48.8	170.4	169.9	-93.2	0	0	0	111.6	T52 R53 L58 Q59 K60	T52-Y56 VanDerWaalsContact O-CB 3.3Å; T52-Y56 WeakPolarHBondContact O-CB 3.45Å; T52-Y56 PolarHBondContact O-N 3.12Å; R53-Y56 PolarHBondContact O-N 3.24Å; Y56-L58 VanDerWaalsContact C-N 3.34Å; Y56-L58 PolarHBondContact O-N 2.88Å; Y56-Q59 PolarHBondContact O-N 3.37Å; Y56-K60 HydrophobicContact CE1-CD 4.23Å; Y56-K60 PolarHBondContact O-N 2.86Å
57	L	96.9	Very high	95.7	Very high	3 Å²	3	78 Å²	78	2%	0.016	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-41.8	178.8	-68.2	172	0	0	0	111.2	I41 R53 A54 Q59 K60 Y61 Y127 I129	I41-L57 HydrophobicContact CB-CD1 4.47Å; I41-L57 HydrophobicContact CD1-CB 4.24Å; I41-L57 HydrophobicContact CD1-CD1 4.25Å; I41-L57 HydrophobicContact CD1-CD2 4.43Å; I41-L57 HydrophobicContact CG1-CD1 4.45Å; I41-L57 HydrophobicContact CG1-CD2 4.25Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 VanDerWaalsContact O-CG 3.26Å; R53-L57 WeakPolarHBondContact O-CG 3.32Å; R53-L57 PolarHBondContact O-N 3.24Å; A54-L57 PolarHBondContact O-N 3.36Å; L57-Q59 PolarHBondContact O-N 2.89Å; L57-K60 PolarHBondContact O-N 2.85Å; L57-Y61 HydrophobicContact CB-CD2 4.46Å; L57-Y61 HydrophobicContact CD2-CD2 4.34Å; L57-Y61 HydrophobicContact CD2-CE2 3.83Å; L57-Y61 VanDerWaalsContact O-CD2 3.27Å; L57-Y61 WeakPolarHBondContact O-CD2 3.37Å; L57-Y61 PolarHBondContact O-N 3.47Å; L57-Y127 HydrophobicContact CD1-CD1 4.18Å; L57-Y127 HydrophobicContact CD1-CD2 3.67Å; L57-Y127 HydrophobicContact CD1-CE2 4.13Å; L57-Y127 HydrophobicContact CD1-CG 3.67Å; L57-I129 HydrophobicContact CB-CD1 4.44Å
58	L	96.9	Very high	95.9	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-56.5	-50.8	173.5	-177.8	162.7	0	0	0	110.6	A54 L55 Y56 K60 Y61 R62 N106 F112 V114 I129	A54-L58 WeakPolarHBondContact O-CB 2.95Å; A54-L58 PolarHBondContact O-N 2.91Å; L55-L58 HydrophobicContact CD2-CD1 4.48Å; L55-L58 PolarHBondContact O-N 2.84Å; Y56-L58 VanDerWaalsContact C-N 3.34Å; Y56-L58 PolarHBondContact O-N 2.88Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 2.89Å; L58-Y61 PolarHBondContact O-N 3.45Å; L58-R62 WeakPolarHBondContact O-CA 3.47Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 3.05Å; L58-N106 HydrophobicContact CD1-CB 4.11Å; L58-N106 HydrophobicContact CD2-CB 4.39Å; L58-F112 HydrophobicContact CD1-CB 3.62Å; L58-F112 HydrophobicContact CD2-CB 4.26Å; L58-F112 HydrophobicContact CG-CB 4.1Å; L58-V114 HydrophobicContact CB-CG2 3.96Å; L58-V114 HydrophobicContact CD1-CG2 3.76Å; L58-V114 HydrophobicContact CG-CG2 4.39Å; L58-I129 HydrophobicContact CG-CG2 4.21Å
59	Q	96.5	Very high	95.9	Very high	94 Å²	94	71.4 Å²	71.4	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-39.6	-179.2	-175.2	61.2	14.8	0	0	112.2	L55 Y56 L57	L55-Q59 WeakPolarHBondContact O-CB 3.05Å; L55-Q59 PolarHBondContact O-N 3.27Å; Y56-Q59 PolarHBondContact O-N 3.37Å; L57-Q59 PolarHBondContact O-N 2.89Å
60	K	96.8	Very high	95.9	Very high	120 Å²	120	72.1 Å²	72.1	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-42.2	178.3	-174.2	173.8	-179.7	177.8	0	112.7	Y56 L57 L58	Y56-K60 HydrophobicContact CE1-CD 4.23Å; Y56-K60 PolarHBondContact O-N 2.86Å; L57-K60 PolarHBondContact O-N 2.85Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 2.89Å
61	Y	96.8	Very high	95.9	Very high	47 Å²	47	69.8 Å²	69.8	18%	0.184	31%	0.307	C	S	.	.	H	α-helix	trans	-109	-0.9	-168.3	-61.5	-64.5	0	0	0	115.5	I38 Y39 I41 L57 L58 R63 K64 I129	I38-Y61 WeakPolarHBondContact CG2-O 3.42Å; Y39-Y61 AromaticContact CD1-CD1 3.76Å; Y39-Y61 HydrophobicContact CD1-CD1 3.76Å; Y39-Y61 AromaticContact CD1-CD2 3.72Å; Y39-Y61 HydrophobicContact CD1-CD2 3.72Å; Y39-Y61 HydrophobicContact CD1-CE1 4.2Å; Y39-Y61 HydrophobicContact CD1-CE2 4.13Å; Y39-Y61 AromaticContact CD1-CG 3.51Å; Y39-Y61 HydrophobicContact CD1-CG 3.51Å; Y39-Y61 AromaticContact CE1-CD1 3.74Å; Y39-Y61 HydrophobicContact CE1-CD1 3.74Å; Y39-Y61 HydrophobicContact CE1-CD2 4.1Å; Y39-Y61 AromaticContact CE1-CE1 3.73Å; Y39-Y61 HydrophobicContact CE1-CE1 3.73Å; Y39-Y61 HydrophobicContact CE1-CE2 4.07Å; Y39-Y61 AromaticContact CE1-CG 3.93Å; Y39-Y61 HydrophobicContact CE1-CG 3.93Å; Y39-Y61 AromaticContact CE1-CZ 3.89Å; Y39-Y61 HydrophobicContact CE2-CD1 4.48Å; Y39-Y61 HydrophobicContact CG-CD1 4.16Å; Y39-Y61 AromaticContact CG-CG 3.94Å; Y39-Y61 HydrophobicContact CG-CG 3.94Å; I41-Y61 HydrophobicContact CD1-CD2 3.99Å; I41-Y61 HydrophobicContact CD1-CE2 4.26Å; I41-Y61 HydrophobicContact CG1-CD2 4.21Å; I41-Y61 HydrophobicContact CG1-CE2 3.98Å; L57-Y61 HydrophobicContact CB-CD2 4.46Å; L57-Y61 HydrophobicContact CD2-CD2 4.34Å; L57-Y61 HydrophobicContact CD2-CE2 3.83Å; L57-Y61 VanDerWaalsContact O-CD2 3.27Å; L57-Y61 WeakPolarHBondContact O-CD2 3.37Å; L57-Y61 PolarHBondContact O-N 3.47Å; L58-Y61 PolarHBondContact O-N 3.45Å; Y61-R63 PolarHBondContact O-N 3.21Å; Y61-K64 HydrophobicContact CD1-CG 4.36Å; Y61-K64 WeakPolarHBondContact O-CB 3.3Å; Y61-K64 PolarHBondContact O-N 2.77Å; Y61-I129 HydrophobicContact CD2-CD1 4.5Å
62	R	94.7	Very high	95.8	Very high	76 Å²	76	65.8 Å²	65.8	29%	0.287	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-19.6	-176.7	60.7	-178.3	-176.1	140.1	2.9	116.4	L58 N109 F112	L58-R62 WeakPolarHBondContact O-CA 3.47Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 3.05Å; R62-N109 PolarHBondContact NH1-OD1 3.41Å; R62-F112 HydrophobicContact CB-CD1 4.46Å; R62-F112 HydrophobicContact CB-CE1 3.85Å; R62-F112 HydrophobicContact CB-CZ 3.94Å
63	R	94.9	Very high	95.9	Very high	218 Å²	218	60.1 Å²	60.1	82%	0.823	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.8	179	-64.4	-176.8	175	173.1	-2.2	114.5	Y61 R65	Y61-R63 PolarHBondContact O-N 3.21Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 2.84Å
64	K	94	Very high	95.8	Very high	110 Å²	110	56 Å²	56	48%	0.478	24%	0.239	S	C	.	.			trans	-87.8	27	-169.8	-70.8	-73.4	-172.6	171.7	0	115.3	I38 Y39 Y61 Q66	I38-K64 CarbonylContact O-C 3.56Å; Y39-K64 HydrophobicContact CD2-CB 3.77Å; Y39-K64 HydrophobicContact CD2-CG 4.43Å; Y39-K64 HydrophobicContact CE2-CB 4.3Å; Y61-K64 HydrophobicContact CD1-CG 4.36Å; Y61-K64 WeakPolarHBondContact O-CB 3.3Å; Y61-K64 PolarHBondContact O-N 2.77Å; K64-Q66 PolarHBondContact O-N 2.81Å
65	R	93.8	Very high	95.6	Very high	139 Å²	139	58.7 Å²	58.7	53%	0.525	25%	0.252	S	S	.	.			trans	-36.8	120.7	-171.2	-179	177.9	59.9	-166	-1.6	114.2	C36 I38 R63 H68	C36-R65 HydrophobicContact CB-CG 4.3Å; I38-R65 HydrophobicContact CD1-CB 4.09Å; I38-R65 HydrophobicContact CD1-CG 4.16Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 2.84Å; R65-H68 PolarHBondContact NE-NE2 3.33Å; R65-H68 PolarHBondContact NH1-CE1 2.93Å; R65-H68 VanDerWaalsContact NH1-CE1 3.33Å; R65-H68 PolarHBondContact NH1-NE2 3.07Å
66	Q	92	Very high	95.4	Very high	63 Å²	63	57.3 Å²	57.3	29%	0.294	25%	0.245	S	C	.	.			trans	-83.1	-58.1	177.4	175.6	67.2	18.3	0	0	111.7	T37 I38 K64 K88 I89 F91	T37-Q66 PolarHBondContact O-N 3.23Å; T37-Q66 WeakPolarHBondContact OG1-CB 3.47Å; I38-Q66 PolarHBondContact O-N 3.31Å; K64-Q66 PolarHBondContact O-N 2.81Å; Q66-K88 WeakPolarHBondContact O-CB 3.33Å; Q66-K88 WeakPolarHBondContact O-CD 3.45Å; Q66-I89 PolarHBondContact NE2-O 2.89Å; Q66-F91 HydrophobicContact CB-CD1 4.3Å; Q66-F91 HydrophobicContact CB-CE1 3.39Å; Q66-F91 HydrophobicContact CB-CZ 3.67Å; Q66-F91 HydrophobicContact CG-CD1 3.86Å; Q66-F91 HydrophobicContact CG-CE1 3.43Å; Q66-F91 VanDerWaalsContact CG-CE1 3.43Å; Q66-F91 HydrophobicContact CG-CZ 4.14Å
67	S	94.1	Very high	95.3	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.5	-175.7	74.1	0	0	0	0	114.1	C36 T37 K88 P90	C36-S67 CarbonylContact C-O 3.47Å; C36-S67 WeakPolarHBondContact CA-O 3.37Å; T37-S67 PolarHBondContact N-O 3.03Å; T37-S67 PolarHBondContact O-N 2.72Å; T37-S67 PolarHBondContact OG1-N 2.76Å; T37-S67 VanDerWaalsContact OG1-N 3.11Å; T37-S67 PolarHBondContact OG1-OG 3.17Å; S67-K88 WeakPolarHBondContact CB-O 3.45Å; S67-P90 VanDerWaalsContact OG-CA 3.29Å; S67-P90 WeakPolarHBondContact OG-CA 3.39Å
68	H	95.5	Very high	95.3	Very high	75 Å²	75	51.3 Å²	51.3	35%	0.347	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.8	165.8	-73.9	-90.6	0	0	0	108.7	H34 R65 N83	H34-H68 AromaticContact CE1-ND1 3.41Å; H34-H68 PolarHBondContact CE1-ND1 3.48Å; H34-H68 AromaticContact NE2-CG 3.95Å; H34-H68 AromaticContact NE2-ND1 3.07Å; H34-H68 PolarHBondContact NE2-ND1 3.42Å; R65-H68 PolarHBondContact NE-NE2 3.33Å; R65-H68 PolarHBondContact NH1-CE1 2.93Å; R65-H68 VanDerWaalsContact NH1-CE1 3.33Å; R65-H68 PolarHBondContact NH1-NE2 3.07Å; H68-N83 PolarHBondContact O-N 3.1Å
69	C	94.7	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.3	-179.8	53.8	0	0	0	0	113.1	V35 F80 E81 N83	V35-C69 PolarHBondContact N-O 3.11Å; V35-C69 CarbonylContact O-C 3.41Å; V35-C69 PolarHBondContact O-N 3.47Å; V35-C69 PolarHBondContact O-SG 3.18Å; C69-F80 HydrophobicContact CB-CB 4.35Å; C69-E81 CarbonylContact C-O 3.6Å; C69-E81 WeakPolarHBondContact CA-O 3.44Å; C69-E81 WeakPolarHBondContact CB-O 3.39Å; C69-N83 VanDerWaalsContact CA-OD1 3.29Å; C69-N83 WeakPolarHBondContact CA-OD1 3.28Å; C69-N83 PolarHBondContact O-OD1 3.4Å
70	T	95.6	Very high	95	Very high	42 Å²	42	47.4 Å²	47.4	26%	0.258	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.4	162.5	-63.4	0	0	0	0	105.8	E32 F80 E81 N83	E32-T70 HydrophobicContact CG-CG2 3.48Å; E32-T70 VanDerWaalsContact CG-CG2 3.48Å; T70-F80 WeakPolarHBondContact O-CA 3.4Å; T70-E81 PolarHBondContact N-O 2.88Å; T70-E81 PolarHBondContact O-N 2.85Å; T70-N83 PolarHBondContact N-OD1 3.03Å; T70-N83 PolarHBondContact OG1-OD1 3.13Å
71	G	96.8	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.8	171.3	0	0	0	0	0	109.5	E32 T33 S79	E32-G71 WeakPolarHBondContact CA-O 3.45Å; T33-G71 PolarHBondContact N-O 3.41Å; T33-G71 PolarHBondContact O-N 2.85Å; G71-S79 CarbonylContact C-O 3.57Å; G71-S79 VanDerWaalsContact CA-O 3.27Å; G71-S79 WeakPolarHBondContact CA-O 3.4Å
72	S	96.6	Very high	94.4	Very high	14 Å²	14	50.4 Å²	50.4	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.1	177.9	-56.5	0	0	0	0	108.8	E32 I78 S79	E32-S72 PolarHBondContact OE2-OG 3.33Å; S72-I78 WeakPolarHBondContact O-CA 3.33Å; S72-S79 PolarHBondContact N-O 2.84Å; S72-S79 PolarHBondContact O-N 2.73Å
73	L	97.4	Very high	93.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	109.6	178.2	-73.2	76	0	0	0	108.6	F30 Y31 I78 V141 Y144 I145 L156	F30-L73 PolarHBondContact N-O 2.94Å; Y31-L73 HydrophobicContact CD1-CD1 4.07Å; Y31-L73 PolarHBondContact O-N 3.26Å; L73-I78 HydrophobicContact CD1-CD1 3.98Å; L73-I78 HydrophobicContact CD1-CG1 4.31Å; L73-I78 HydrophobicContact CG-CD1 4.3Å; L73-I78 HydrophobicContact CG-CG1 4.42Å; L73-V141 HydrophobicContact CD1-CG2 4.27Å; L73-Y144 HydrophobicContact CD2-CD2 4.42Å; L73-Y144 HydrophobicContact CD2-CG 3.96Å; L73-I145 HydrophobicContact CD2-CG1 4.42Å; L73-L156 HydrophobicContact CB-CD1 4.23Å
74	L	95.6	Very high	93.5	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	21%	0.21	C	C	.	.			trans	-105.4	-176.2	-176.1	-51.9	178.9	0	0	0	109.8	Q27 H28 L29 D76 R77 Y97 L156 V165 V167	Q27-L74 HydrophobicContact CB-CB 4.4Å; Q27-L74 VanDerWaalsContact OE1-CB 3.24Å; H28-L74 WeakPolarHBondContact O-CA 3.32Å; L29-L74 HydrophobicContact CB-CD2 4.1Å; L29-L74 HydrophobicContact CD1-CD2 3.71Å; L74-D76 PolarHBondContact O-N 2.96Å; L74-R77 HydrophobicContact CB-CG 4.13Å; L74-R77 HydrophobicContact CD1-CG 3.99Å; L74-R77 HydrophobicContact CG-CG 4.41Å; L74-R77 PolarHBondContact N-O 2.79Å; L74-Y97 VanDerWaalsContact O-CE2 3.24Å; L74-Y97 WeakPolarHBondContact O-CE2 3.42Å; L74-Y97 PolarHBondContact O-OH 3.37Å; L74-L156 WeakPolarHBondContact O-CD1 3.24Å; L74-V165 HydrophobicContact CD2-CG2 3.62Å; L74-V167 HydrophobicContact CD1-CG2 3.67Å
75	E	94.4	Very high	92.9	Very high	58 Å²	58	45 Å²	45	27%	0.271	22%	0.218	S	C	.	.	S	Bend	trans	-57.2	-47.9	179.8	-72	171.8	-149.8	0	0	113.9	H28 F30 Y97 V155 L156	H28-E75 HydrophobicContact CB-CG 4.05Å; H28-E75 WeakPolarHBondContact CB-OE1 3.32Å; H28-E75 IonicContact CE1-OE1 3.67Å; H28-E75 IonicContact CG-OE1 3.37Å; H28-E75 PolarHBondContact N-OE1 3.31Å; H28-E75 IonicContact ND1-OE1 2.62Å; H28-E75 PolarHBondContact ND1-OE1 2.84Å; H28-E75 PolarHBondContact O-N 3.36Å; F30-E75 HydrophobicContact CE2-CB 4.47Å; F30-E75 HydrophobicContact CE2-CG 3.78Å; F30-E75 HydrophobicContact CZ-CG 4.2Å; E75-Y97 WeakPolarHBondContact O-CE2 2.86Å; E75-V155 CarbonylContact O-C 3.6Å; E75-V155 WeakPolarHBondContact O-CA 3.12Å; E75-V155 WeakPolarHBondContact O-CB 3.38Å; E75-L156 PolarHBondContact O-N 2.99Å
76	D	92.8	Very high	92.2	Very high	11 Å²	11	44 Å²	44	6%	0.059	23%	0.232	C	C	.	.	S	Bend	trans	-112.4	-5.9	-170.7	70.1	-28.7	0	0	0	113.6	H22 Q27 L74 L96 Y97 V155	H22-D76 IonicContact CD2-OD2 2.92Å; H22-D76 PolarHBondContact CD2-OD2 3.12Å; H22-D76 IonicContact CE1-OD2 3.28Å; H22-D76 PolarHBondContact CE1-OD2 3Å; H22-D76 IonicContact CG-OD2 2.8Å; H22-D76 VanDerWaalsContact CG-OD2 3.29Å; H22-D76 IonicContact ND1-OD2 3.5Å; H22-D76 PolarHBondContact ND1-OD2 3.34Å; H22-D76 IonicContact NE2-OD2 3.55Å; H22-D76 PolarHBondContact NE2-OD2 3.48Å; H22-D76 VanDerWaalsContact NE2-OD2 3.13Å; Q27-D76 VanDerWaalsContact NE2-CG 3.3Å; Q27-D76 PolarHBondContact NE2-OD1 2.93Å; Q27-D76 PolarHBondContact OE1-OD1 3.33Å; L74-D76 PolarHBondContact O-N 2.96Å; D76-L96 WeakPolarHBondContact O-CA 3.5Å; D76-Y97 WeakPolarHBondContact O-CD2 3.04Å; D76-Y97 PolarHBondContact O-N 2.79Å; D76-V155 HydrophobicContact CB-CG1 4.27Å
77	R	94.4	Very high	91.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.4	-167.1	72.7	-171.4	61.8	-166	-0.8	113.9	H22 L74 W94 V95 L96 Y97 D169	H22-R77 PolarHBondContact CD2-NH2 2.77Å; H22-R77 VanDerWaalsContact CD2-NH2 3.32Å; L74-R77 HydrophobicContact CB-CG 4.13Å; L74-R77 HydrophobicContact CD1-CG 3.99Å; L74-R77 HydrophobicContact CG-CG 4.41Å; L74-R77 PolarHBondContact N-O 2.79Å; R77-W94 HydrophobicContact CG-CB 4.45Å; R77-V95 VanDerWaalsContact CA-O 3.26Å; R77-V95 WeakPolarHBondContact CA-O 3.47Å; R77-V95 WeakPolarHBondContact CB-O 3.28Å; R77-L96 HydrophobicContact CB-CD2 3.91Å; R77-Y97 VanDerWaalsContact N-CE2 3.27Å; R77-Y97 PolarHBondContact O-OH 2.8Å; R77-Y97 VanDerWaalsContact O-OH 3.06Å; R77-D169 IonicContact CZ-OD2 3.26Å; R77-D169 IonicContact NH1-OD1 3.13Å; R77-D169 PolarHBondContact NH1-OD1 3.06Å; R77-D169 IonicContact NH1-OD2 2.71Å; R77-D169 PolarHBondContact NH1-OD2 2.88Å; R77-D169 IonicContact NH2-OD2 3.54Å
78	I	96.1	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.6	156.3	-176	167.1	0	0	0	109.1	S72 L73 F80 W94 V95 Y97 V141 I145	S72-I78 WeakPolarHBondContact O-CA 3.33Å; L73-I78 HydrophobicContact CD1-CD1 3.98Å; L73-I78 HydrophobicContact CD1-CG1 4.31Å; L73-I78 HydrophobicContact CG-CD1 4.3Å; L73-I78 HydrophobicContact CG-CG1 4.42Å; I78-F80 HydrophobicContact CB-CZ 4.42Å; I78-F80 HydrophobicContact CD1-CE1 3.71Å; I78-F80 HydrophobicContact CD1-CZ 3.71Å; I78-F80 HydrophobicContact CG1-CE1 3.91Å; I78-F80 HydrophobicContact CG1-CE2 4.34Å; I78-F80 HydrophobicContact CG1-CZ 3.79Å; I78-F80 HydrophobicContact CG2-CE2 3.92Å; I78-F80 HydrophobicContact CG2-CZ 3.82Å; I78-W94 CarbonylContact O-C 3.58Å; I78-W94 WeakPolarHBondContact O-CA 3.21Å; I78-W94 VanDerWaalsContact O-CB 3.3Å; I78-W94 WeakPolarHBondContact O-CB 3.36Å; I78-V95 HydrophobicContact CG2-CB 3.88Å; I78-V95 PolarHBondContact N-O 2.54Å; I78-V95 PolarHBondContact O-N 2.9Å; I78-Y97 HydrophobicContact CB-CE1 4.23Å; I78-V141 HydrophobicContact CD1-CG1 4.25Å; I78-I145 HydrophobicContact CD1-CD1 4.36Å
79	S	94	Very high	91	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.7	174.4	172.7	0	0	0	0	110.3	G71 S72 P93	G71-S79 CarbonylContact C-O 3.57Å; G71-S79 VanDerWaalsContact CA-O 3.27Å; G71-S79 WeakPolarHBondContact CA-O 3.4Å; S72-S79 PolarHBondContact N-O 2.84Å; S72-S79 PolarHBondContact O-N 2.73Å; S79-P93 CarbonylContact C-O 3.51Å; S79-P93 WeakPolarHBondContact CA-O 3.29Å
80	F	94	Very high	90.8	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	111.8	178	-58.9	-71.3	0	0	0	110	V35 C69 T70 I78 P90 P93 V95 Y130	V35-F80 HydrophobicContact CG1-CE1 4.24Å; C69-F80 HydrophobicContact CB-CB 4.35Å; T70-F80 WeakPolarHBondContact O-CA 3.4Å; I78-F80 HydrophobicContact CB-CZ 4.42Å; I78-F80 HydrophobicContact CD1-CE1 3.71Å; I78-F80 HydrophobicContact CD1-CZ 3.71Å; I78-F80 HydrophobicContact CG1-CE1 3.91Å; I78-F80 HydrophobicContact CG1-CE2 4.34Å; I78-F80 HydrophobicContact CG1-CZ 3.79Å; I78-F80 HydrophobicContact CG2-CE2 3.92Å; I78-F80 HydrophobicContact CG2-CZ 3.82Å; F80-P90 HydrophobicContact CB-CB 4.11Å; F80-P90 HydrophobicContact CB-CG 4.13Å; F80-P93 PolarHBondContact N-O 3.5Å; F80-V95 HydrophobicContact CE2-CG2 3.94Å; F80-Y130 HydrophobicContact CD1-CE1 4.35Å; F80-Y130 HydrophobicContact CE1-CD1 4.09Å; F80-Y130 AromaticContact CE1-CE1 3.65Å; F80-Y130 HydrophobicContact CE1-CE1 3.65Å; F80-Y130 AromaticContact CE2-CE1 3.98Å; F80-Y130 HydrophobicContact CE2-CE1 3.98Å; F80-Y130 AromaticContact CE2-CZ 4Å; F80-Y130 HydrophobicContact CZ-CD1 4.17Å; F80-Y130 AromaticContact CZ-CE1 3.43Å; F80-Y130 HydrophobicContact CZ-CE1 3.43Å; F80-Y130 VanDerWaalsContact CZ-CE1 3.43Å; F80-Y130 AromaticContact CZ-CZ 3.68Å
81	E	90.7	Very high	90.5	Very high	103 Å²	103	49.2 Å²	49.2	48%	0.481	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.5	177.6	-171.9	168.3	172.2	0	0	111	C69 T70 N83 R172	C69-E81 CarbonylContact C-O 3.6Å; C69-E81 WeakPolarHBondContact CA-O 3.44Å; C69-E81 WeakPolarHBondContact CB-O 3.39Å; T70-E81 PolarHBondContact N-O 2.88Å; T70-E81 PolarHBondContact O-N 2.85Å; E81-N83 PolarHBondContact O-N 2.89Å; E81-R172 IonicContact OE2-NH2 2.77Å
82	R	90.1	Very high	90.1	Very high	126 Å²	126	49.4 Å²	49.4	48%	0.475	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	135.1	176.6	64.3	-177.3	178.3	178.9	-4.7	110.3	K84 A85	R82-K84 VanDerWaalsContact C-N 3.29Å; R82-K84 WeakPolarHBondContact CD-O 3.41Å; R82-K84 PolarHBondContact O-N 2.98Å; R82-A85 PolarHBondContact NH1-O 3.26Å
83	N	85.5	Confident	89.8	Confident	63 Å²	63	49.5 Å²	49.5	34%	0.337	26%	0.264	S	S	.	.	S	Bend	trans	-72.2	-25.2	179.8	-69	-7.5	0	0	0	113.7	H34 H68 C69 T70 E81	H34-N83 PolarHBondContact CD2-ND2 2.99Å; H68-N83 PolarHBondContact O-N 3.1Å; C69-N83 VanDerWaalsContact CA-OD1 3.29Å; C69-N83 WeakPolarHBondContact CA-OD1 3.28Å; C69-N83 PolarHBondContact O-OD1 3.4Å; T70-N83 PolarHBondContact N-OD1 3.03Å; T70-N83 PolarHBondContact OG1-OD1 3.13Å; E81-N83 PolarHBondContact O-N 2.89Å
84	K	85.4	Confident	89.5	Confident	152 Å²	152	50.1 Å²	50.1	66%	0.661	27%	0.266	S	S	*	.	S	Bend	trans	-135	141.9	-178.7	-63.3	-174.5	178.5	-174.1	0	108.4	R82 S86 G87	R82-K84 VanDerWaalsContact C-N 3.29Å; R82-K84 WeakPolarHBondContact CD-O 3.41Å; R82-K84 PolarHBondContact O-N 2.98Å; K84-S86 PolarHBondContact O-N 2.94Å; K84-G87 PolarHBondContact O-N 2.84Å
85	A	80.5	Confident	89.4	Confident	77 Å²	77	49.9 Å²	49.9	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.2	177.7	0	0	0	0	0	112.6	R82 G87	R82-A85 PolarHBondContact NH1-O 3.26Å; A85-G87 VanDerWaalsContact C-N 3.33Å
86	S	81	Confident	89.4	Confident	117 Å²	117	47.3 Å²	47.3	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2.1	176.4	57.8	0	0	0	0	114.6	K84	K84-S86 PolarHBondContact O-N 2.94Å
87	G	81.2	Confident	89.6	Confident	30 Å²	30	46.8 Å²	46.8	31%	0.309	25%	0.25	S	S	.	.	S	Bend	trans	-74.4	154.6	-178.4	0	0	0	0	0	112.9	K84 A85	K84-G87 PolarHBondContact O-N 2.84Å; A85-G87 VanDerWaalsContact C-N 3.33Å
88	K	87.9	Confident	89.6	Confident	124 Å²	124	49 Å²	49	54%	0.539	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-55.6	141.9	168.4	-69.7	-173.6	172	-165.1	0	110.2	Q66 S67	Q66-K88 WeakPolarHBondContact O-CB 3.33Å; Q66-K88 WeakPolarHBondContact O-CD 3.45Å; S67-K88 WeakPolarHBondContact CB-O 3.45Å
89	I	86.6	Confident	89.5	Confident	119 Å²	119	49 Å²	49	61%	0.61	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-80.6	137.7	-177.2	-59.1	165.9	0	0	0	109	Q66	Q66-I89 PolarHBondContact NE2-O 2.89Å
90	P	90.7	Very high	89.7	Confident	13 Å²	13	49 Å²	49	8%	0.084	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.4	159.5	171.6	28.4	-35.4	0	0	0	111.4	T37 S67 F80 R92	T37-P90 HydrophobicContact CG2-CB 3.69Å; S67-P90 VanDerWaalsContact OG-CA 3.29Å; S67-P90 WeakPolarHBondContact OG-CA 3.39Å; F80-P90 HydrophobicContact CB-CB 4.11Å; F80-P90 HydrophobicContact CB-CG 4.13Å; P90-R92 PolarHBondContact O-N 3.05Å; P90-R92 VanDerWaalsContact O-N 3.1Å
91	F	88.7	Confident	89.8	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	28%	0.277	C	S	.	.	S	Bend	trans	-58.2	-29.9	-178.6	-43.2	-60.3	0	0	0	113.6	T37 Y39 R40 Q66 S175	T37-F91 HydrophobicContact CG2-CD2 4.41Å; T37-F91 HydrophobicContact CG2-CE2 4.42Å; Y39-F91 VanDerWaalsContact C-CZ 3.43Å; Y39-F91 VanDerWaalsContact CA-CZ 3.42Å; Y39-F91 VanDerWaalsContact N-CZ 3.35Å; R40-F91 HydrophobicContact CB-CD1 4.08Å; R40-F91 HydrophobicContact CB-CD2 4.1Å; R40-F91 HydrophobicContact CB-CE1 4.21Å; R40-F91 HydrophobicContact CB-CE2 4.22Å; R40-F91 HydrophobicContact CB-CG 4.06Å; R40-F91 HydrophobicContact CB-CZ 4.33Å; R40-F91 PolarHBondContact NH1-O 2.81Å; R40-F91 PolarHBondContact NH2-O 3.04Å; Q66-F91 HydrophobicContact CB-CD1 4.3Å; Q66-F91 HydrophobicContact CB-CE1 3.39Å; Q66-F91 HydrophobicContact CB-CZ 3.67Å; Q66-F91 HydrophobicContact CG-CD1 3.86Å; Q66-F91 HydrophobicContact CG-CE1 3.43Å; Q66-F91 VanDerWaalsContact CG-CE1 3.43Å; Q66-F91 HydrophobicContact CG-CZ 4.14Å; F91-S175 WeakPolarHBondContact O-CB 3.5Å
92	R	88.6	Confident	90.1	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.015	27%	0.274	C	S	.	.			trans	-154.8	153.3	173.3	61.4	-180	91.6	-134.1	-8.6	109.8	R40 P90 W94 V95 S119 E128 R174	R40-R92 VanDerWaalsContact CZ-NH2 3.32Å; R40-R92 VanDerWaalsContact NH2-NH2 3.11Å; P90-R92 PolarHBondContact O-N 3.05Å; P90-R92 VanDerWaalsContact O-N 3.1Å; R92-W94 WeakPolarHBondContact CD-O 3.07Å; R92-W94 WeakPolarHBondContact CG-O 3.37Å; R92-V95 HydrophobicContact CG-CG2 4.14Å; R92-S119 PolarHBondContact NH1-OG 2.88Å; R92-E128 IonicContact CZ-OE1 3.29Å; R92-E128 VanDerWaalsContact CZ-OE1 3.25Å; R92-E128 IonicContact NE-OE1 3.13Å; R92-E128 PolarHBondContact NE-OE1 3.46Å; R92-E128 IonicContact NE-OE2 2.66Å; R92-E128 IonicContact NH2-OE1 2.8Å; R92-E128 PolarHBondContact NH2-OE1 2.82Å; R92-R174 HydrophobicContact CB-CB 4.48Å; R92-R174 HydrophobicContact CB-CG 4.3Å
93	P	89.6	Confident	90.5	Very high	16 Å²	16	47 Å²	47	10%	0.104	25%	0.254	C	S	.	.	S	Bend	trans	-74.1	-22.3	179.2	28.6	-36.4	0	0	0	113.9	S79 F80 R172 R174	S79-P93 CarbonylContact C-O 3.51Å; S79-P93 WeakPolarHBondContact CA-O 3.29Å; F80-P93 PolarHBondContact N-O 3.5Å; P93-R172 HydrophobicContact CB-CB 4.03Å; P93-R172 HydrophobicContact CG-CB 4Å; P93-R174 HydrophobicContact CG-CG 4.24Å
94	W	92.4	Very high	91	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.1	171.9	61.5	102.6	0	0	0	111.9	R77 I78 R92 D169 R172 R174	R77-W94 HydrophobicContact CG-CB 4.45Å; I78-W94 CarbonylContact O-C 3.58Å; I78-W94 WeakPolarHBondContact O-CA 3.21Å; I78-W94 VanDerWaalsContact O-CB 3.3Å; I78-W94 WeakPolarHBondContact O-CB 3.36Å; R92-W94 WeakPolarHBondContact CD-O 3.07Å; R92-W94 WeakPolarHBondContact CG-O 3.37Å; W94-D169 HydrophobicContact CH2-CB 3.68Å; W94-D169 HydrophobicContact CZ2-CB 4.25Å; W94-D169 HydrophobicContact CZ3-CB 4.03Å; W94-D169 WeakPolarHBondContact CZ3-OD1 3.29Å; W94-R172 HydrophobicContact CE3-CB 4.47Å; W94-R172 HydrophobicContact CH2-CB 4.01Å; W94-R172 WeakPolarHBondContact CH2-O 3.41Å; W94-R172 HydrophobicContact CZ3-CB 3.42Å; W94-R172 VanDerWaalsContact CZ3-CB 3.42Å; W94-R172 HydrophobicContact CZ3-CG 4.35Å; W94-R174 HydrophobicContact CZ2-CG 4.37Å; W94-R174 PolarHBondContact O-NH2 2.98Å
95	V	93.3	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.9	167.7	179.1	0	0	0	0	107.2	R77 I78 F80 R92 V100 I117	R77-V95 VanDerWaalsContact CA-O 3.26Å; R77-V95 WeakPolarHBondContact CA-O 3.47Å; R77-V95 WeakPolarHBondContact CB-O 3.28Å; I78-V95 HydrophobicContact CG2-CB 3.88Å; I78-V95 PolarHBondContact N-O 2.54Å; I78-V95 PolarHBondContact O-N 2.9Å; F80-V95 HydrophobicContact CE2-CG2 3.94Å; R92-V95 HydrophobicContact CG-CG2 4.14Å; V95-V100 HydrophobicContact CG1-CG2 3.6Å; V95-I117 HydrophobicContact CG1-CD1 3.89Å; V95-I117 HydrophobicContact CG1-CG1 4.04Å; V95-I117 HydrophobicContact CG2-CD1 3.75Å
96	L	93.7	Very high	92	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	142	173.3	-57.8	173.7	0	0	0	108.7	D76 R77 K98 E99 Y121	D76-L96 WeakPolarHBondContact O-CA 3.5Å; R77-L96 HydrophobicContact CB-CD2 3.91Å; L96-K98 HydrophobicContact CB-CG 3.83Å; L96-K98 HydrophobicContact CD1-CD 4.46Å; L96-K98 HydrophobicContact CD1-CG 4.38Å; L96-K98 PolarHBondContact O-N 3.32Å; L96-E99 HydrophobicContact CB-CG 4.11Å; L96-E99 PolarHBondContact N-OE2 2.82Å; L96-E99 VanDerWaalsContact N-OE2 3.15Å; L96-E99 WeakPolarHBondContact O-CB 3.4Å; L96-E99 PolarHBondContact O-N 3.23Å; L96-Y121 HydrophobicContact CD1-CE2 3.96Å
97	Y	96.4	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-61.7	-32	179.8	-60.3	-41.8	0	0	0	112.4	L74 E75 D76 R77 I78 E99 V100 I145 A148 K154 L156	L74-Y97 VanDerWaalsContact O-CE2 3.24Å; L74-Y97 WeakPolarHBondContact O-CE2 3.42Å; L74-Y97 PolarHBondContact O-OH 3.37Å; E75-Y97 WeakPolarHBondContact O-CE2 2.86Å; D76-Y97 WeakPolarHBondContact O-CD2 3.04Å; D76-Y97 PolarHBondContact O-N 2.79Å; R77-Y97 VanDerWaalsContact N-CE2 3.27Å; R77-Y97 PolarHBondContact O-OH 2.8Å; R77-Y97 VanDerWaalsContact O-OH 3.06Å; I78-Y97 HydrophobicContact CB-CE1 4.23Å; Y97-E99 PolarHBondContact O-N 3.08Å; Y97-V100 PolarHBondContact O-N 2.84Å; Y97-I145 HydrophobicContact CD1-CG1 4.45Å; Y97-I145 HydrophobicContact CD1-CG2 3.91Å; Y97-I145 HydrophobicContact CE1-CB 4.45Å; Y97-I145 HydrophobicContact CE1-CG1 3.93Å; Y97-I145 HydrophobicContact CE1-CG2 4.23Å; Y97-A148 HydrophobicContact CD1-CB 4.22Å; Y97-A148 HydrophobicContact CD2-CB 3.28Å; Y97-A148 HydrophobicContact CE2-CB 3.78Å; Y97-A148 HydrophobicContact CG-CB 3.52Å; Y97-K154 WeakPolarHBondContact CB-O 3.42Å; Y97-L156 HydrophobicContact CE2-CB 4.37Å; Y97-L156 HydrophobicContact CE2-CD1 3.9Å; Y97-L156 HydrophobicContact CE2-CG 3.67Å; Y97-L156 VanDerWaalsContact OH-CD1 3.27Å; Y97-L156 WeakPolarHBondContact OH-CD1 3.33Å
98	K	94.9	Very high	93.2	Very high	48 Å²	48	48.1 Å²	48.1	21%	0.209	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.9	-23.2	172.4	62.9	172.4	175.7	170.3	0	115.1	D18 L96 K101 M120 K154	D18-K98 VanDerWaalsContact CB-NZ 3.28Å; D18-K98 VanDerWaalsContact CG-NZ 3.3Å; D18-K98 IonicContact OD2-NZ 3.97Å; D18-K98 PolarHBondContact OD2-NZ 2.77Å; L96-K98 HydrophobicContact CB-CG 3.83Å; L96-K98 HydrophobicContact CD1-CD 4.46Å; L96-K98 HydrophobicContact CD1-CG 4.38Å; L96-K98 PolarHBondContact O-N 3.32Å; K98-K101 PolarHBondContact O-NZ 2.93Å; K98-M120 HydrophobicContact CD-SD 3.82Å; K98-M120 HydrophobicContact CG-SD 4.22Å; K98-K154 HydrophobicContact CB-CB 3.9Å; K98-K154 HydrophobicContact CB-CG 3.95Å
99	E	94.7	Very high	93.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-82.8	-19.7	175.6	-64.8	179.4	107.8	0	0	112	L96 Y97 K101 I117 D118 S119 M120 Y121 R174	L96-E99 HydrophobicContact CB-CG 4.11Å; L96-E99 PolarHBondContact N-OE2 2.82Å; L96-E99 VanDerWaalsContact N-OE2 3.15Å; L96-E99 WeakPolarHBondContact O-CB 3.4Å; L96-E99 PolarHBondContact O-N 3.23Å; Y97-E99 PolarHBondContact O-N 3.08Å; E99-K101 PolarHBondContact O-N 3.36Å; E99-I117 HydrophobicContact CB-CG2 4.06Å; E99-I117 WeakPolarHBondContact O-CA 3.22Å; E99-D118 PolarHBondContact O-N 2.92Å; E99-S119 VanDerWaalsContact OE1-CA 3.29Å; E99-S119 WeakPolarHBondContact OE1-CA 3.36Å; E99-S119 PolarHBondContact OE1-OG 3.06Å; E99-M120 HydrophobicContact CG-CG 4.15Å; E99-M120 HydrophobicContact CG-SD 4.41Å; E99-M120 PolarHBondContact OE1-N 3.37Å; E99-Y121 WeakPolarHBondContact OE1-CD2 3.29Å; E99-R174 VanDerWaalsContact CD-NH1 3.26Å; E99-R174 IonicContact OE1-CZ 2.73Å; E99-R174 IonicContact OE1-NH1 2.84Å; E99-R174 PolarHBondContact OE1-NH1 3.25Å; E99-R174 IonicContact OE2-CZ 3.69Å; E99-R174 VanDerWaalsContact OE2-CZ 3.26Å; E99-R174 IonicContact OE2-NH1 3.25Å; E99-R174 PolarHBondContact OE2-NH1 2.91Å; E99-R174 IonicContact OE2-NH2 3.26Å; E99-R174 PolarHBondContact OE2-NH2 3.2Å
100	V	97	Very high	94	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.3	178.9	-171.5	0	0	0	0	108.9	V95 Y97 I103 L115 I145 M149	V95-V100 HydrophobicContact CG1-CG2 3.6Å; Y97-V100 PolarHBondContact O-N 2.84Å; V100-I103 HydrophobicContact CG1-CD1 4.27Å; V100-I103 HydrophobicContact CG1-CG1 3.79Å; V100-L115 HydrophobicContact CG1-CD2 4.33Å; V100-I145 HydrophobicContact CG1-CG2 4.35Å; V100-I145 HydrophobicContact CG2-CG2 4.32Å; V100-M149 HydrophobicContact CB-CG 4.31Å; V100-M149 HydrophobicContact CB-SD 3.97Å; V100-M149 HydrophobicContact CG1-CE 4.11Å; V100-M149 HydrophobicContact CG1-CG 4.47Å; V100-M149 HydrophobicContact CG1-SD 3.5Å; V100-M149 VanDerWaalsContact CG1-SD 3.5Å
101	K	96.5	Very high	94.3	Very high	91 Å²	91	42.7 Å²	42.7	40%	0.396	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-41.6	178.3	-58.7	-54.8	177.9	-171.6	0	112.1	F49 K98 E99 C116 D118 M149	F49-K101 HydrophobicContact CD2-CB 3.86Å; F49-K101 HydrophobicContact CD2-CG 4.35Å; F49-K101 HydrophobicContact CE2-CB 3.95Å; F49-K101 HydrophobicContact CE2-CG 4Å; K98-K101 PolarHBondContact O-NZ 2.93Å; E99-K101 PolarHBondContact O-N 3.36Å; K101-C116 PolarHBondContact N-O 3.2Å; K101-D118 HydrophobicContact CD-CB 4.26Å; K101-D118 VanDerWaalsContact CE-CB 3.46Å; K101-D118 HydrophobicContact CG-CB 3.77Å; K101-M149 VanDerWaalsContact O-CE 3.22Å; K101-M149 WeakPolarHBondContact O-CE 3.33Å
102	E	97.4	Very high	94.7	Very high	89 Å²	89	43 Å²	43	42%	0.416	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.8	-178.5	-67.3	-63.7	164.6	0	0	111.2	F49 Y104 C116	F49-E102 HydrophobicContact CB-CG 4.33Å; E102-Y104 HydrophobicContact CB-CE2 3.77Å; E102-Y104 HydrophobicContact CG-CE2 4.48Å; E102-C116 HydrophobicContact CB-CB 3.86Å; E102-C116 PolarHBondContact N-O 2.77Å; E102-C116 WeakPolarHBondContact O-CB 3.4Å; E102-C116 PolarHBondContact O-N 2.86Å
103	I	97.9	Very high	95.2	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.2	174.5	-50.7	179.3	0	0	0	110.2	V100 V114 L115 C142 I145 R146 M149	V100-I103 HydrophobicContact CG1-CD1 4.27Å; V100-I103 HydrophobicContact CG1-CG1 3.79Å; I103-V114 WeakPolarHBondContact CA-O 3.29Å; I103-L115 HydrophobicContact CB-CD2 4.45Å; I103-L115 HydrophobicContact CD1-CD2 4.01Å; I103-L115 HydrophobicContact CG1-CD2 3.79Å; I103-L115 HydrophobicContact CG2-CD2 4.06Å; I103-C142 HydrophobicContact CG2-CB 4.22Å; I103-I145 HydrophobicContact CD1-CB 3.53Å; I103-I145 HydrophobicContact CD1-CD1 4.45Å; I103-I145 HydrophobicContact CD1-CG2 3.35Å; I103-I145 HydrophobicContact CG1-CG2 4.48Å; I103-R146 HydrophobicContact CD1-CG 4.18Å; I103-M149 HydrophobicContact CD1-SD 3.7Å; I103-M149 HydrophobicContact CG1-SD 3.81Å
104	Y	97.8	Very high	95.6	Very high	33 Å²	33	42.1 Å²	42.1	13%	0.129	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136	178.3	-57.5	-62.6	0	0	0	111.4	S50 E51 A54 E102 F113 V114	S50-Y104 VanDerWaalsContact C-CE2 3.49Å; E51-Y104 HydrophobicContact CB-CD1 3.57Å; E51-Y104 HydrophobicContact CB-CE1 3.54Å; E51-Y104 HydrophobicContact CB-CG 4.15Å; E51-Y104 HydrophobicContact CG-CD1 3.65Å; E51-Y104 HydrophobicContact CG-CE1 4.14Å; E51-Y104 HydrophobicContact CG-CG 4.12Å; E51-Y104 VanDerWaalsContact N-CZ 3.33Å; A54-Y104 HydrophobicContact CB-CD2 3.35Å; A54-Y104 HydrophobicContact CB-CE2 4.09Å; A54-Y104 HydrophobicContact CB-CG 4.04Å; E102-Y104 HydrophobicContact CB-CE2 3.77Å; E102-Y104 HydrophobicContact CG-CE2 4.48Å; Y104-F113 CarbonylContact O-C 3.48Å; Y104-F113 VanDerWaalsContact O-CA 3.28Å; Y104-F113 WeakPolarHBondContact O-CA 3.33Å; Y104-V114 PolarHBondContact N-O 2.77Å; Y104-V114 PolarHBondContact O-N 3.06Å
105	M	96.5	Very high	95.9	Very high	37 Å²	37	41.5 Å²	41.5	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.7	174.8	-68.8	-176.9	76.4	0	0	109.3	F113 A138 Q139 C142	M105-F113 HydrophobicContact CG-CB 3.97Å; M105-A138 HydrophobicContact CE-CB 4.07Å; M105-Q139 HydrophobicContact CE-CB 4.13Å; M105-C142 HydrophobicContact CG-CB 4.32Å; M105-C142 HydrophobicContact SD-CB 3.64Å
106	N	89.9	Confident	96.1	Very high	18 Å²	18	41.5 Å²	41.5	10%	0.096	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.2	176.2	-172.2	-10	0	0	0	110.3	L55 L58 N108 N109 P110	L55-N106 HydrophobicContact CD2-CB 3.87Å; L58-N106 HydrophobicContact CD1-CB 4.11Å; L58-N106 HydrophobicContact CD2-CB 4.39Å; N106-N108 PolarHBondContact O-N 2.85Å; N106-N108 WeakPolarHBondContact OD1-CB 3.02Å; N106-N108 PolarHBondContact OD1-N 3.1Å; N106-N109 HydrophobicContact CB-CB 4.24Å; N106-N109 PolarHBondContact ND2-ND2 3.07Å; N106-N109 CarbonylContact O-C 3.55Å; N106-N109 PolarHBondContact O-N 2.69Å; N106-P110 WeakPolarHBondContact O-CA 3.33Å; N106-P110 VanDerWaalsContact O-N 3.16Å
107	R	92.5	Very high	96.2	Very high	233 Å²	233	41.3 Å²	41.3	88%	0.879	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.2	175.3	-62.7	-176	-176.1	-175.8	0.8	113.1
108	N	93.6	Very high	96	Very high	143 Å²	143	44 Å²	44	77%	0.765	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.4	179.3	-62.7	-24.4	0	0	0	113.2	N106	N106-N108 PolarHBondContact O-N 2.85Å; N106-N108 WeakPolarHBondContact OD1-CB 3.02Å; N106-N108 PolarHBondContact OD1-N 3.1Å
109	N	94.5	Very high	95.8	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.171	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	68.8	178.2	-64.8	-96	0	0	0	108.7	R62 N106 H111 F112	R62-N109 PolarHBondContact NH1-OD1 3.41Å; N106-N109 HydrophobicContact CB-CB 4.24Å; N106-N109 PolarHBondContact ND2-ND2 3.07Å; N106-N109 CarbonylContact O-C 3.55Å; N106-N109 PolarHBondContact O-N 2.69Å; N109-H111 PolarHBondContact O-N 3Å; N109-F112 HydrophobicContact CB-CD2 3.93Å; N109-F112 PolarHBondContact O-N 3.45Å
110	P	96.9	Very high	95.2	Very high	47 Å²	47	45.5 Å²	45.5	31%	0.305	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-7.6	-166.2	30.8	-38.1	0	0	0	113.5	N106 F112 P135 A138	N106-P110 WeakPolarHBondContact O-CA 3.33Å; N106-P110 VanDerWaalsContact O-N 3.16Å; P110-F112 PolarHBondContact O-N 3.46Å; P110-P135 HydrophobicContact CB-CB 3.9Å; P110-P135 HydrophobicContact CG-CB 3.77Å; P110-P135 HydrophobicContact CG-CG 3.88Å; P110-A138 VanDerWaalsContact O-CB 3.26Å; P110-A138 WeakPolarHBondContact O-CB 3.27Å
111	H	97.5	Very high	94.2	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.292	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-17.4	169.1	-54.4	-90.5	0	0	0	113.8	N109 K131 C132 K133 P135	N109-H111 PolarHBondContact O-N 3Å; H111-K131 HydrophobicContact CB-CG 4.24Å; H111-K131 CarbonylContact O-C 3.47Å; H111-K131 VanDerWaalsContact O-CA 3.31Å; H111-K131 WeakPolarHBondContact O-CA 3.46Å; H111-C132 PolarHBondContact O-N 3Å; H111-K133 PolarHBondContact ND1-O 3.44Å; H111-P135 WeakPolarHBondContact CE1-CD 3.02Å; H111-P135 VanDerWaalsContact CE1-CG 3.47Å; H111-P135 WeakPolarHBondContact CE1-CG 3.44Å; H111-P135 WeakPolarHBondContact ND1-CD 3.26Å
112	F	98.1	Very high	93.4	Very high	14 Å²	14	45.7 Å²	45.7	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.9	-173.8	-66.9	-98.6	0	0	0	111.5	I38 L58 R62 N109 P110 I129 Y130 K131	I38-F112 HydrophobicContact CD1-CE1 4.23Å; I38-F112 HydrophobicContact CG1-CD1 4.27Å; I38-F112 HydrophobicContact CG1-CE1 4.02Å; L58-F112 HydrophobicContact CD1-CB 3.62Å; L58-F112 HydrophobicContact CD2-CB 4.26Å; L58-F112 HydrophobicContact CG-CB 4.1Å; R62-F112 HydrophobicContact CB-CD1 4.46Å; R62-F112 HydrophobicContact CB-CE1 3.85Å; R62-F112 HydrophobicContact CB-CZ 3.94Å; N109-F112 HydrophobicContact CB-CD2 3.93Å; N109-F112 PolarHBondContact O-N 3.45Å; P110-F112 PolarHBondContact O-N 3.46Å; F112-I129 HydrophobicContact CD1-CG2 4.25Å; F112-Y130 VanDerWaalsContact CA-O 3.28Å; F112-Y130 WeakPolarHBondContact CA-O 3.38Å; F112-K131 HydrophobicContact CD1-CB 3.69Å; F112-K131 HydrophobicContact CD1-CD 4.47Å; F112-K131 HydrophobicContact CD1-CG 3.91Å; F112-K131 HydrophobicContact CD2-CG 4.23Å; F112-K131 HydrophobicContact CE1-CB 3.66Å; F112-K131 HydrophobicContact CE1-CD 3.75Å; F112-K131 HydrophobicContact CE1-CG 3.69Å; F112-K131 HydrophobicContact CE2-CD 4.03Å; F112-K131 HydrophobicContact CE2-CG 4.04Å; F112-K131 HydrophobicContact CG-CB 4.31Å; F112-K131 HydrophobicContact CG-CG 4.19Å; F112-K131 HydrophobicContact CZ-CB 4.27Å; F112-K131 HydrophobicContact CZ-CD 3.51Å; F112-K131 HydrophobicContact CZ-CG 3.77Å
113	F	98	Very high	92.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.9	171.7	62.6	-85.2	0	0	0	110.2	V35 Y104 M105 L115 Y130 A138 V141 C142	V35-F113 HydrophobicContact CG1-CZ 4.44Å; Y104-F113 CarbonylContact O-C 3.48Å; Y104-F113 VanDerWaalsContact O-CA 3.28Å; Y104-F113 WeakPolarHBondContact O-CA 3.33Å; M105-F113 HydrophobicContact CG-CB 3.97Å; F113-L115 HydrophobicContact CD2-CD2 3.98Å; F113-L115 HydrophobicContact CD2-CG 4.16Å; F113-L115 HydrophobicContact CE2-CD1 4.38Å; F113-L115 HydrophobicContact CE2-CD2 4.06Å; F113-L115 HydrophobicContact CE2-CG 4.03Å; F113-Y130 HydrophobicContact CD2-CD2 4.26Å; F113-Y130 VanDerWaalsContact CE2-CB 3.5Å; F113-Y130 AromaticContact CE2-CD2 3.73Å; F113-Y130 HydrophobicContact CE2-CD2 3.73Å; F113-Y130 AromaticContact CE2-CG 3.79Å; F113-Y130 HydrophobicContact CE2-CG 3.79Å; F113-Y130 HydrophobicContact CZ-CD2 4.26Å; F113-Y130 AromaticContact CZ-CG 3.83Å; F113-Y130 HydrophobicContact CZ-CG 3.83Å; F113-Y130 PolarHBondContact N-O 3.04Å; F113-Y130 VanDerWaalsContact N-O 3.1Å; F113-Y130 PolarHBondContact O-N 3.28Å; F113-A138 HydrophobicContact CD1-CB 4.27Å; F113-V141 HydrophobicContact CE1-CG1 4.31Å; F113-V141 HydrophobicContact CE2-CG1 4.33Å; F113-V141 HydrophobicContact CZ-CG1 3.85Å; F113-C142 VanDerWaalsContact CB-SG 3.53Å
114	V	98.2	Very high	92.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.1	178.3	-171	0	0	0	0	108.5	A54 L58 I103 Y104 Y127 E128 I129	A54-V114 HydrophobicContact CB-CB 4.12Å; A54-V114 HydrophobicContact CB-CG1 4.02Å; A54-V114 HydrophobicContact CB-CG2 4.29Å; L58-V114 HydrophobicContact CB-CG2 3.96Å; L58-V114 HydrophobicContact CD1-CG2 3.76Å; L58-V114 HydrophobicContact CG-CG2 4.39Å; I103-V114 WeakPolarHBondContact CA-O 3.29Å; Y104-V114 PolarHBondContact N-O 2.77Å; Y104-V114 PolarHBondContact O-N 3.06Å; V114-Y127 HydrophobicContact CG1-CD1 4.12Å; V114-E128 CarbonylContact C-O 3.59Å; V114-E128 WeakPolarHBondContact CA-O 3.25Å; V114-I129 HydrophobicContact CG1-CG1 4.39Å; V114-I129 HydrophobicContact CG2-CG1 4.09Å
115	L	98.1	Very high	92	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.6	167.9	-58.8	-175.4	0	0	0	108.8	V100 I103 F113 I117 E128 Y130 I145	V100-L115 HydrophobicContact CG1-CD2 4.33Å; I103-L115 HydrophobicContact CB-CD2 4.45Å; I103-L115 HydrophobicContact CD1-CD2 4.01Å; I103-L115 HydrophobicContact CG1-CD2 3.79Å; I103-L115 HydrophobicContact CG2-CD2 4.06Å; F113-L115 HydrophobicContact CD2-CD2 3.98Å; F113-L115 HydrophobicContact CD2-CG 4.16Å; F113-L115 HydrophobicContact CE2-CD1 4.38Å; F113-L115 HydrophobicContact CE2-CD2 4.06Å; F113-L115 HydrophobicContact CE2-CG 4.03Å; L115-I117 HydrophobicContact CB-CD1 3.87Å; L115-I117 HydrophobicContact CB-CG1 3.94Å; L115-I117 HydrophobicContact CD1-CD1 4.43Å; L115-E128 PolarHBondContact N-O 2.85Å; L115-E128 PolarHBondContact O-N 2.8Å; L115-Y130 HydrophobicContact CB-CE2 4.18Å; L115-Y130 HydrophobicContact CD1-CD2 4.11Å; L115-Y130 HydrophobicContact CD1-CE2 3.63Å; L115-Y130 HydrophobicContact CG-CD2 3.97Å; L115-Y130 HydrophobicContact CG-CE2 3.83Å; L115-I145 HydrophobicContact CD2-CD1 4.14Å
116	C	97.7	Very high	91.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.4	169.6	-60.1	0	0	0	0	108	F49 K101 E102 Y126	F49-C116 HydrophobicContact CB-CB 4.03Å; F49-C116 HydrophobicContact CD1-CB 3.55Å; F49-C116 HydrophobicContact CD2-CB 3.7Å; F49-C116 HydrophobicContact CE1-CB 3.78Å; F49-C116 HydrophobicContact CE2-CB 3.92Å; F49-C116 HydrophobicContact CG-CB 3.5Å; F49-C116 HydrophobicContact CZ-CB 3.96Å; K101-C116 PolarHBondContact N-O 3.2Å; E102-C116 HydrophobicContact CB-CB 3.86Å; E102-C116 PolarHBondContact N-O 2.77Å; E102-C116 WeakPolarHBondContact O-CB 3.4Å; E102-C116 PolarHBondContact O-N 2.86Å; C116-Y126 CarbonylContact C-O 3.53Å; C116-Y126 WeakPolarHBondContact CA-O 3.3Å
117	I	95.6	Very high	92.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.4	-167.8	-65.6	161.5	0	0	0	108.9	V95 E99 L115 R125 Y126 E128	V95-I117 HydrophobicContact CG1-CD1 3.89Å; V95-I117 HydrophobicContact CG1-CG1 4.04Å; V95-I117 HydrophobicContact CG2-CD1 3.75Å; E99-I117 HydrophobicContact CB-CG2 4.06Å; E99-I117 WeakPolarHBondContact O-CA 3.22Å; L115-I117 HydrophobicContact CB-CD1 3.87Å; L115-I117 HydrophobicContact CB-CG1 3.94Å; L115-I117 HydrophobicContact CD1-CD1 4.43Å; I117-R125 CarbonylContact O-C 3.54Å; I117-R125 VanDerWaalsContact O-CA 3.25Å; I117-R125 WeakPolarHBondContact O-CA 3.02Å; I117-Y126 HydrophobicContact CG2-CD2 4.46Å; I117-Y126 PolarHBondContact N-O 3.44Å; I117-Y126 PolarHBondContact O-N 3.5Å; I117-E128 HydrophobicContact CD1-CB 4.15Å; I117-E128 VanDerWaalsContact CD1-CD 3.41Å; I117-E128 HydrophobicContact CD1-CG 3.93Å; I117-E128 WeakPolarHBondContact CD1-OE2 3.24Å
118	D	93.6	Very high	92.5	Very high	57 Å²	57	37.3 Å²	37.3	31%	0.305	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	99.3	164.6	-171.2	4.4	0	0	0	107.9	E99 K101 M120 R125	E99-D118 PolarHBondContact O-N 2.92Å; K101-D118 HydrophobicContact CD-CB 4.26Å; K101-D118 VanDerWaalsContact CE-CB 3.46Å; K101-D118 HydrophobicContact CG-CB 3.77Å; D118-M120 PolarHBondContact O-N 2.92Å; D118-R125 HydrophobicContact CB-CG 4.17Å; D118-R125 VanDerWaalsContact OD1-CG 3.31Å; D118-R125 WeakPolarHBondContact OD1-CG 3.13Å
119	S	89.4	Confident	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117	-169.7	-164.9	0	0	0	0	110.2	R92 E99 Y121 S122 S123 M124	R92-S119 PolarHBondContact NH1-OG 2.88Å; E99-S119 VanDerWaalsContact OE1-CA 3.29Å; E99-S119 WeakPolarHBondContact OE1-CA 3.36Å; E99-S119 PolarHBondContact OE1-OG 3.06Å; S119-Y121 PolarHBondContact O-N 3.2Å; S119-S122 WeakPolarHBondContact CB-OG 3.2Å; S119-S123 WeakPolarHBondContact O-CA 3.42Å; S119-S123 PolarHBondContact O-N 3.15Å; S119-M124 WeakPolarHBondContact CB-O 3.42Å; S119-M124 PolarHBondContact N-O 3.32Å
120	M	81.8	Confident	92.8	Very high	80 Å²	80	29 Å²	29	39%	0.394	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.9	176.2	-55.2	172.4	68.7	0	0	111.6	Y15 K98 E99 D118	Y15-M120 HydrophobicContact CD2-CB 4.38Å; Y15-M120 HydrophobicContact CD2-CE 4.08Å; Y15-M120 HydrophobicContact CE2-CB 3.51Å; Y15-M120 HydrophobicContact CE2-CE 4.15Å; Y15-M120 PolarHBondContact OH-O 3.48Å; K98-M120 HydrophobicContact CD-SD 3.82Å; K98-M120 HydrophobicContact CG-SD 4.22Å; E99-M120 HydrophobicContact CG-CG 4.15Å; E99-M120 HydrophobicContact CG-SD 4.41Å; E99-M120 PolarHBondContact OE1-N 3.37Å; D118-M120 PolarHBondContact O-N 2.92Å
121	Y	76.7	Confident	92.9	Very high	76 Å²	76	30.5 Å²	30.5	30%	0.298	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-44.5	-178.7	-71.6	-92.4	0	0	0	114	Y15 L96 E99 S119	Y15-Y121 HydrophobicContact CE1-CD1 4.33Å; Y15-Y121 HydrophobicContact CE1-CE1 4.27Å; Y15-Y121 AromaticContact CZ-CD1 3.97Å; Y15-Y121 AromaticContact CZ-CE1 3.99Å; Y15-Y121 WeakPolarHBondContact OH-CA 3.44Å; Y15-Y121 WeakPolarHBondContact OH-CB 3.1Å; Y15-Y121 WeakPolarHBondContact OH-CD1 3.23Å; Y15-Y121 WeakPolarHBondContact OH-CD2 3.13Å; Y15-Y121 WeakPolarHBondContact OH-CE1 3.02Å; Y15-Y121 WeakPolarHBondContact OH-CE2 3.49Å; Y15-Y121 PolarHBondContact OH-N 3.35Å; Y15-Y121 VanDerWaalsContact OH-N 3.15Å; L96-Y121 HydrophobicContact CD1-CE2 3.96Å; E99-Y121 WeakPolarHBondContact OE1-CD2 3.29Å; S119-Y121 PolarHBondContact O-N 3.2Å
122	S	80.6	Confident	92.9	Very high	27 Å²	27	27.6 Å²	27.6	19%	0.189	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.1	-177.6	54.5	0	0	0	0	113.1	S119 M124 Y126	S119-S122 WeakPolarHBondContact CB-OG 3.2Å; S122-M124 WeakPolarHBondContact O-CG 3.27Å; S122-M124 PolarHBondContact O-N 3.46Å; S122-M124 VanDerWaalsContact O-N 3.13Å; S122-Y126 WeakPolarHBondContact CB-OH 3.02Å; S122-Y126 WeakPolarHBondContact OG-CE2 3.18Å; S122-Y126 PolarHBondContact OG-OH 3.47Å
123	S	81.5	Confident	92.8	Very high	105 Å²	105	35 Å²	35	73%	0.734	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	28.2	-169.9	-47.5	0	0	0	0	112.5	S119	S119-S123 WeakPolarHBondContact O-CA 3.42Å; S119-S123 PolarHBondContact O-N 3.15Å
124	M	88	Confident	92.7	Very high	92 Å²	92	38.7 Å²	38.7	45%	0.453	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.3	-177.1	-70	-76.6	174.2	0	0	109.3	S119 S122 Y126	S119-M124 WeakPolarHBondContact CB-O 3.42Å; S119-M124 PolarHBondContact N-O 3.32Å; S122-M124 WeakPolarHBondContact O-CG 3.27Å; S122-M124 PolarHBondContact O-N 3.46Å; S122-M124 VanDerWaalsContact O-N 3.13Å; M124-Y126 HydrophobicContact CB-CE1 4.1Å; M124-Y126 HydrophobicContact CB-CE2 3.72Å; M124-Y126 VanDerWaalsContact CB-CZ 3.45Å; M124-Y126 VanDerWaalsContact CB-OH 3.32Å; M124-Y126 WeakPolarHBondContact CB-OH 3.45Å; M124-Y126 WeakPolarHBondContact O-CD2 3.43Å; M124-Y126 VanDerWaalsContact O-CE2 3.24Å; M124-Y126 WeakPolarHBondContact O-CE2 3.33Å
125	R	93.4	Very high	92.7	Very high	47 Å²	47	40.1 Å²	40.1	18%	0.177	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.1	179.4	-65	177.2	66.1	-148.7	-10.1	109.2	N42 A43 P45 E47 F49 I117 D118	N42-R125 CarbonylContact C-O 3.43Å; N42-R125 WeakPolarHBondContact CA-O 3.1Å; A43-R125 HydrophobicContact CB-CB 3.89Å; A43-R125 PolarHBondContact N-O 3.2Å; P45-R125 PolarHBondContact O-NH1 2.83Å; E47-R125 PolarHBondContact O-NH1 3.15Å; E47-R125 PolarHBondContact O-NH2 3.16Å; F49-R125 VanDerWaalsContact CD2-NH2 3.28Å; F49-R125 VanDerWaalsContact CE2-NH2 3.35Å; F49-R125 HydrophobicContact CZ-CB 3.94Å; I117-R125 CarbonylContact O-C 3.54Å; I117-R125 VanDerWaalsContact O-CA 3.25Å; I117-R125 WeakPolarHBondContact O-CA 3.02Å; D118-R125 HydrophobicContact CB-CG 4.17Å; D118-R125 VanDerWaalsContact OD1-CG 3.31Å; D118-R125 WeakPolarHBondContact OD1-CG 3.13Å
126	Y	94.9	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.3	-172.7	-54	-81.6	0	0	0	112.1	R40 I41 N42 C116 I117 S122 M124 V176	R40-Y126 HydrophobicContact CG-CD1 3.79Å; R40-Y126 HydrophobicContact CG-CG 4.38Å; I41-Y126 CarbonylContact O-C 3.46Å; I41-Y126 VanDerWaalsContact O-CA 3.23Å; I41-Y126 WeakPolarHBondContact O-CA 3.35Å; N42-Y126 WeakPolarHBondContact OD1-CD1 3.11Å; N42-Y126 WeakPolarHBondContact OD1-CE1 3.27Å; C116-Y126 CarbonylContact C-O 3.53Å; C116-Y126 WeakPolarHBondContact CA-O 3.3Å; I117-Y126 HydrophobicContact CG2-CD2 4.46Å; I117-Y126 PolarHBondContact N-O 3.44Å; I117-Y126 PolarHBondContact O-N 3.5Å; S122-Y126 WeakPolarHBondContact CB-OH 3.02Å; S122-Y126 WeakPolarHBondContact OG-CE2 3.18Å; S122-Y126 PolarHBondContact OG-OH 3.47Å; M124-Y126 HydrophobicContact CB-CE1 4.1Å; M124-Y126 HydrophobicContact CB-CE2 3.72Å; M124-Y126 VanDerWaalsContact CB-CZ 3.45Å; M124-Y126 VanDerWaalsContact CB-OH 3.32Å; M124-Y126 WeakPolarHBondContact CB-OH 3.45Å; M124-Y126 WeakPolarHBondContact O-CD2 3.43Å; M124-Y126 VanDerWaalsContact O-CE2 3.24Å; M124-Y126 WeakPolarHBondContact O-CE2 3.33Å; Y126-V176 PolarHBondContact OH-O 3.45Å
127	Y	97.3	Very high	92.7	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.2	153.6	-62.9	-92.3	0	0	0	107.9	R40 I41 A43 E47 F49 R53 A54 L57 V114	R40-Y127 CarbonylContact C-O 3.58Å; R40-Y127 WeakPolarHBondContact CA-O 3.44Å; I41-Y127 PolarHBondContact N-O 3.06Å; I41-Y127 PolarHBondContact O-N 3.31Å; A43-Y127 HydrophobicContact CB-CD2 4.06Å; A43-Y127 HydrophobicContact CB-CE2 3.73Å; E47-Y127 WeakPolarHBondContact OE1-CE2 3.26Å; E47-Y127 PolarHBondContact OE1-OH 2.89Å; F49-Y127 HydrophobicContact CD1-CD1 4.28Å; F49-Y127 AromaticContact CD1-CE1 3.65Å; F49-Y127 HydrophobicContact CD1-CE1 3.65Å; F49-Y127 HydrophobicContact CD1-CE2 4.03Å; F49-Y127 AromaticContact CD1-CZ 3.53Å; F49-Y127 HydrophobicContact CE1-CD2 4.4Å; F49-Y127 HydrophobicContact CE1-CE1 4.28Å; F49-Y127 HydrophobicContact CE1-CE2 4.13Å; R53-Y127 HydrophobicContact CG-CE1 4.31Å; R53-Y127 HydrophobicContact CG-CE2 4.2Å; R53-Y127 WeakPolarHBondContact CG-OH 3.42Å; A54-Y127 HydrophobicContact CB-CD1 4.05Å; A54-Y127 HydrophobicContact CB-CE1 4.06Å; L57-Y127 HydrophobicContact CD1-CD1 4.18Å; L57-Y127 HydrophobicContact CD1-CD2 3.67Å; L57-Y127 HydrophobicContact CD1-CE2 4.13Å; L57-Y127 HydrophobicContact CD1-CG 3.67Å; V114-Y127 HydrophobicContact CG1-CD1 4.12Å
128	E	96.7	Very high	92.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.9	176.3	-67.6	-173.9	172.3	0	0	110	R40 R92 V114 L115 I117 Y130	R40-E128 HydrophobicContact CB-CG 4.19Å; R40-E128 HydrophobicContact CG-CG 3.97Å; R40-E128 IonicContact CZ-OE1 3.11Å; R40-E128 IonicContact NE-OE1 3.2Å; R40-E128 PolarHBondContact NE-OE1 3.4Å; R40-E128 IonicContact NH2-OE1 2.77Å; R40-E128 PolarHBondContact NH2-OE1 3.35Å; R92-E128 IonicContact CZ-OE1 3.29Å; R92-E128 VanDerWaalsContact CZ-OE1 3.25Å; R92-E128 IonicContact NE-OE1 3.13Å; R92-E128 PolarHBondContact NE-OE1 3.46Å; R92-E128 IonicContact NE-OE2 2.66Å; R92-E128 IonicContact NH2-OE1 2.8Å; R92-E128 PolarHBondContact NH2-OE1 2.82Å; V114-E128 CarbonylContact C-O 3.59Å; V114-E128 WeakPolarHBondContact CA-O 3.25Å; L115-E128 PolarHBondContact N-O 2.85Å; L115-E128 PolarHBondContact O-N 2.8Å; I117-E128 HydrophobicContact CD1-CB 4.15Å; I117-E128 VanDerWaalsContact CD1-CD 3.41Å; I117-E128 HydrophobicContact CD1-CG 3.93Å; I117-E128 WeakPolarHBondContact CD1-OE2 3.24Å; E128-Y130 HydrophobicContact CB-CD2 4.29Å; E128-Y130 HydrophobicContact CB-CE2 3.42Å; E128-Y130 VanDerWaalsContact CB-CE2 3.42Å; E128-Y130 WeakPolarHBondContact O-CD2 3.28Å; E128-Y130 PolarHBondContact OE2-OH 3.26Å
129	I	97.7	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.2	-177.8	-56.9	157.9	0	0	0	108.8	I38 Y39 I41 L57 L58 Y61 F112 V114	I38-I129 WeakPolarHBondContact CA-O 3.39Å; I38-I129 HydrophobicContact CB-CB 4.06Å; I38-I129 HydrophobicContact CB-CG2 3.84Å; I38-I129 VanDerWaalsContact CB-O 3.3Å; I38-I129 WeakPolarHBondContact CB-O 3.23Å; I38-I129 HydrophobicContact CG1-CG2 4.27Å; I38-I129 HydrophobicContact CG2-CB 4.46Å; I38-I129 HydrophobicContact CG2-CG2 4.08Å; I38-I129 PolarHBondContact N-O 3.49Å; Y39-I129 PolarHBondContact O-N 2.95Å; I41-I129 HydrophobicContact CD1-CD1 3.98Å; L57-I129 HydrophobicContact CB-CD1 4.44Å; L58-I129 HydrophobicContact CG-CG2 4.21Å; Y61-I129 HydrophobicContact CD2-CD1 4.5Å; F112-I129 HydrophobicContact CD1-CG2 4.25Å; V114-I129 HydrophobicContact CG1-CG1 4.39Å; V114-I129 HydrophobicContact CG2-CG1 4.09Å
130	Y	98	Very high	93.3	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.6	-179.4	-65.8	-86.5	0	0	0	110.9	V35 C36 T37 F80 F112 F113 L115 E128	V35-Y130 HydrophobicContact CG1-CD1 3.71Å; V35-Y130 HydrophobicContact CG1-CG 4.31Å; C36-Y130 WeakPolarHBondContact O-CA 3.35Å; T37-Y130 HydrophobicContact CG2-CD1 4.17Å; T37-Y130 HydrophobicContact CG2-CE1 3.78Å; F80-Y130 HydrophobicContact CD1-CE1 4.35Å; F80-Y130 HydrophobicContact CE1-CD1 4.09Å; F80-Y130 AromaticContact CE1-CE1 3.65Å; F80-Y130 HydrophobicContact CE1-CE1 3.65Å; F80-Y130 AromaticContact CE2-CE1 3.98Å; F80-Y130 HydrophobicContact CE2-CE1 3.98Å; F80-Y130 AromaticContact CE2-CZ 4Å; F80-Y130 HydrophobicContact CZ-CD1 4.17Å; F80-Y130 AromaticContact CZ-CE1 3.43Å; F80-Y130 HydrophobicContact CZ-CE1 3.43Å; F80-Y130 VanDerWaalsContact CZ-CE1 3.43Å; F80-Y130 AromaticContact CZ-CZ 3.68Å; F112-Y130 VanDerWaalsContact CA-O 3.28Å; F112-Y130 WeakPolarHBondContact CA-O 3.38Å; F113-Y130 HydrophobicContact CD2-CD2 4.26Å; F113-Y130 VanDerWaalsContact CE2-CB 3.5Å; F113-Y130 AromaticContact CE2-CD2 3.73Å; F113-Y130 HydrophobicContact CE2-CD2 3.73Å; F113-Y130 AromaticContact CE2-CG 3.79Å; F113-Y130 HydrophobicContact CE2-CG 3.79Å; F113-Y130 HydrophobicContact CZ-CD2 4.26Å; F113-Y130 AromaticContact CZ-CG 3.83Å; F113-Y130 HydrophobicContact CZ-CG 3.83Å; F113-Y130 PolarHBondContact N-O 3.04Å; F113-Y130 VanDerWaalsContact N-O 3.1Å; F113-Y130 PolarHBondContact O-N 3.28Å; L115-Y130 HydrophobicContact CB-CE2 4.18Å; L115-Y130 HydrophobicContact CD1-CD2 4.11Å; L115-Y130 HydrophobicContact CD1-CE2 3.63Å; L115-Y130 HydrophobicContact CG-CD2 3.97Å; L115-Y130 HydrophobicContact CG-CE2 3.83Å; E128-Y130 HydrophobicContact CB-CD2 4.29Å; E128-Y130 HydrophobicContact CB-CE2 3.42Å; E128-Y130 VanDerWaalsContact CB-CE2 3.42Å; E128-Y130 WeakPolarHBondContact O-CD2 3.28Å; E128-Y130 PolarHBondContact OE2-OH 3.26Å
131	K	97.8	Very high	94.1	Very high	77 Å²	77	46 Å²	46	34%	0.335	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	127.8	177.3	-173	-164.9	178	-177	0	111.1	V35 C36 I38 H111 F112	V35-K131 CarbonylContact C-O 3.56Å; C36-K131 HydrophobicContact CB-CB 4.21Å; C36-K131 PolarHBondContact N-O 2.82Å; C36-K131 PolarHBondContact O-N 2.97Å; I38-K131 HydrophobicContact CD1-CB 3.79Å; I38-K131 HydrophobicContact CG1-CB 3.84Å; H111-K131 HydrophobicContact CB-CG 4.24Å; H111-K131 CarbonylContact O-C 3.47Å; H111-K131 VanDerWaalsContact O-CA 3.31Å; H111-K131 WeakPolarHBondContact O-CA 3.46Å; F112-K131 HydrophobicContact CD1-CB 3.69Å; F112-K131 HydrophobicContact CD1-CD 4.47Å; F112-K131 HydrophobicContact CD1-CG 3.91Å; F112-K131 HydrophobicContact CD2-CG 4.23Å; F112-K131 HydrophobicContact CE1-CB 3.66Å; F112-K131 HydrophobicContact CE1-CD 3.75Å; F112-K131 HydrophobicContact CE1-CG 3.69Å; F112-K131 HydrophobicContact CE2-CD 4.03Å; F112-K131 HydrophobicContact CE2-CG 4.04Å; F112-K131 HydrophobicContact CG-CB 4.31Å; F112-K131 HydrophobicContact CG-CG 4.19Å; F112-K131 HydrophobicContact CZ-CB 4.27Å; F112-K131 HydrophobicContact CZ-CD 3.51Å; F112-K131 HydrophobicContact CZ-CG 3.77Å
132	C	97.7	Very high	95.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	165.8	167.8	-63.7	0	0	0	0	111.5	H111 T137 A138	H111-C132 PolarHBondContact O-N 3Å; C132-T137 HydrophobicContact CB-CG2 3.78Å; C132-A138 HydrophobicContact CB-CB 3.92Å
133	K	95.7	Very high	95.9	Very high	170 Å²	170	45.5 Å²	45.5	74%	0.739	23%	0.228	S	C	*	.	S	Bend	trans	-64.3	-46.4	178.9	-169.9	-179.6	179.1	-176	0	111.7	H111	H111-K133 PolarHBondContact ND1-O 3.44Å
134	I	96.9	Very high	96.7	Very high	77 Å²	77	42.8 Å²	42.8	40%	0.395	20%	0.202	S	C	.	.	S	Bend	trans	-124	155.7	-178.2	63	175.5	0	0	0	110.9	E136 T137 A138	I134-E136 VanDerWaalsContact C-N 3.35Å; I134-E136 HydrophobicContact CD1-CB 4.49Å; I134-E136 PolarHBondContact O-N 2.84Å; I134-T137 WeakPolarHBondContact CG1-OG1 3.37Å; I134-T137 PolarHBondContact O-N 3.14Å; I134-A138 PolarHBondContact O-N 2.88Å
135	P	97.5	Very high	97.2	Very high	31 Å²	31	38.4 Å²	38.4	20%	0.201	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-41	-177.9	-26.5	39.6	0	0	0	113.4	P110 H111 T137 A138 Q139	P110-P135 HydrophobicContact CB-CB 3.9Å; P110-P135 HydrophobicContact CG-CB 3.77Å; P110-P135 HydrophobicContact CG-CG 3.88Å; H111-P135 WeakPolarHBondContact CE1-CD 3.02Å; H111-P135 VanDerWaalsContact CE1-CG 3.47Å; H111-P135 WeakPolarHBondContact CE1-CG 3.44Å; H111-P135 WeakPolarHBondContact ND1-CD 3.26Å; P135-T137 VanDerWaalsContact C-N 3.3Å; P135-T137 PolarHBondContact O-N 3.36Å; P135-A138 WeakPolarHBondContact O-CB 3.5Å; P135-A138 PolarHBondContact O-N 2.75Å; P135-Q139 PolarHBondContact O-N 2.89Å
136	E	97.6	Very high	97.4	Very high	111 Å²	111	40.5 Å²	40.5	52%	0.519	19%	0.188	S	C	.	.	H	α-helix	trans	-62.5	-42.4	-175.9	-59.2	70.2	-149.3	0	0	109.8	I134 A138 Q139 T140	I134-E136 VanDerWaalsContact C-N 3.35Å; I134-E136 HydrophobicContact CD1-CB 4.49Å; I134-E136 PolarHBondContact O-N 2.84Å; E136-A138 PolarHBondContact O-N 2.89Å; E136-Q139 WeakPolarHBondContact O-CB 3.26Å; E136-Q139 PolarHBondContact O-N 2.84Å; E136-T140 PolarHBondContact O-N 3.46Å; E136-T140 PolarHBondContact O-OG1 2.76Å
137	T	97.5	Very high	97.5	Very high	13 Å²	13	45.7 Å²	45.7	8%	0.08	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-43.5	173.4	-62.3	0	0	0	0	112.4	Y31 T33 C132 I134 P135 Q139 T140 V141	Y31-T137 HydrophobicContact CE1-CG2 4.25Å; T33-T137 HydrophobicContact CG2-CG2 3.69Å; T33-T137 WeakPolarHBondContact OG1-CG2 3.2Å; C132-T137 HydrophobicContact CB-CG2 3.78Å; I134-T137 WeakPolarHBondContact CG1-OG1 3.37Å; I134-T137 PolarHBondContact O-N 3.14Å; P135-T137 VanDerWaalsContact C-N 3.3Å; P135-T137 PolarHBondContact O-N 3.36Å; T137-Q139 VanDerWaalsContact C-N 3.3Å; T137-Q139 PolarHBondContact O-N 3.41Å; T137-T140 PolarHBondContact O-N 3.17Å; T137-V141 VanDerWaalsContact O-CG2 3.27Å; T137-V141 WeakPolarHBondContact O-CG2 3.49Å; T137-V141 PolarHBondContact O-N 2.8Å
138	A	98	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-40.7	177.6	0	0	0	0	0	111.1	M105 P110 F113 C132 I134 P135 E136 V141 C142	M105-A138 HydrophobicContact CE-CB 4.07Å; P110-A138 VanDerWaalsContact O-CB 3.26Å; P110-A138 WeakPolarHBondContact O-CB 3.27Å; F113-A138 HydrophobicContact CD1-CB 4.27Å; C132-A138 HydrophobicContact CB-CB 3.92Å; I134-A138 PolarHBondContact O-N 2.88Å; P135-A138 WeakPolarHBondContact O-CB 3.5Å; P135-A138 PolarHBondContact O-N 2.75Å; E136-A138 PolarHBondContact O-N 2.89Å; A138-V141 PolarHBondContact O-N 2.96Å; A138-C142 PolarHBondContact O-N 3.18Å; A138-C142 PolarHBondContact O-SG 2.95Å
139	Q	97.7	Very high	97.4	Very high	99 Å²	99	47 Å²	47	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-51.2	175.5	179	174.3	-10.1	0	0	111.3	M105 P135 E136 T137 V141 C142 E143	M105-Q139 HydrophobicContact CE-CB 4.13Å; P135-Q139 PolarHBondContact O-N 2.89Å; E136-Q139 WeakPolarHBondContact O-CB 3.26Å; E136-Q139 PolarHBondContact O-N 2.84Å; T137-Q139 VanDerWaalsContact C-N 3.3Å; T137-Q139 PolarHBondContact O-N 3.41Å; Q139-V141 PolarHBondContact O-N 3.16Å; Q139-C142 PolarHBondContact O-N 2.88Å; Q139-C142 VanDerWaalsContact O-N 3.1Å; Q139-E143 HydrophobicContact CG-CG 4.37Å; Q139-E143 VanDerWaalsContact CG-OE1 3.24Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.45Å; Q139-E143 PolarHBondContact NE2-OE1 3.5Å; Q139-E143 WeakPolarHBondContact O-CG 3.38Å; Q139-E143 PolarHBondContact O-N 2.98Å
140	T	97.4	Very high	97.3	Very high	37 Å²	37	53.7 Å²	53.7	23%	0.227	25%	0.25	C	C	.	.	H	α-helix	trans	-54.3	-50.7	175.9	-58.2	0	0	0	0	111	Y31 E136 T137 C142 E143 Y144	Y31-T140 HydrophobicContact CD1-CG2 4.33Å; Y31-T140 HydrophobicContact CD2-CG2 4.39Å; Y31-T140 HydrophobicContact CE1-CG2 4.07Å; Y31-T140 HydrophobicContact CE2-CG2 4.14Å; Y31-T140 HydrophobicContact CG-CG2 4.48Å; E136-T140 PolarHBondContact O-N 3.46Å; E136-T140 PolarHBondContact O-OG1 2.76Å; T137-T140 PolarHBondContact O-N 3.17Å; T140-C142 VanDerWaalsContact C-N 3.29Å; T140-C142 PolarHBondContact O-N 3.23Å; T140-E143 PolarHBondContact O-N 3.45Å; T140-E143 VanDerWaalsContact O-N 3.1Å; T140-Y144 HydrophobicContact CG2-CD2 3.64Å; T140-Y144 HydrophobicContact CG2-CE2 3.45Å; T140-Y144 VanDerWaalsContact CG2-CE2 3.45Å; T140-Y144 VanDerWaalsContact O-CD2 3.28Å; T140-Y144 WeakPolarHBondContact O-CD2 3.46Å; T140-Y144 PolarHBondContact O-N 3.49Å
141	V	97.9	Very high	97.2	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-54.8	-46.4	177.3	170.1	0	0	0	0	111.2	Y31 T33 L73 I78 F113 T137 A138 Q139 E143 I145	Y31-V141 HydrophobicContact CD1-CG2 4.13Å; Y31-V141 HydrophobicContact CE1-CG2 3.97Å; T33-V141 HydrophobicContact CG2-CG2 3.77Å; L73-V141 HydrophobicContact CD1-CG2 4.27Å; I78-V141 HydrophobicContact CD1-CG1 4.25Å; F113-V141 HydrophobicContact CE1-CG1 4.31Å; F113-V141 HydrophobicContact CE2-CG1 4.33Å; F113-V141 HydrophobicContact CZ-CG1 3.85Å; T137-V141 VanDerWaalsContact O-CG2 3.27Å; T137-V141 WeakPolarHBondContact O-CG2 3.49Å; T137-V141 PolarHBondContact O-N 2.8Å; A138-V141 PolarHBondContact O-N 2.96Å; Q139-V141 PolarHBondContact O-N 3.16Å; V141-E143 PolarHBondContact O-N 3.37Å; V141-I145 HydrophobicContact CG1-CD1 3.8Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.35Å; V141-I145 PolarHBondContact O-N 3.29Å; V141-I145 VanDerWaalsContact O-N 3.08Å
142	C	97.8	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-37.3	179	-65.3	0	0	0	0	112.7	I103 M105 F113 A138 Q139 T140 I145 R146	I103-C142 HydrophobicContact CG2-CB 4.22Å; M105-C142 HydrophobicContact CG-CB 4.32Å; M105-C142 HydrophobicContact SD-CB 3.64Å; F113-C142 VanDerWaalsContact CB-SG 3.53Å; A138-C142 PolarHBondContact O-N 3.18Å; A138-C142 PolarHBondContact O-SG 2.95Å; Q139-C142 PolarHBondContact O-N 2.88Å; Q139-C142 VanDerWaalsContact O-N 3.1Å; T140-C142 VanDerWaalsContact C-N 3.29Å; T140-C142 PolarHBondContact O-N 3.23Å; C142-I145 PolarHBondContact O-N 3.1Å; C142-R146 WeakPolarHBondContact O-CB 3.27Å; C142-R146 VanDerWaalsContact O-CG 3.26Å; C142-R146 WeakPolarHBondContact O-CG 3.43Å; C142-R146 PolarHBondContact O-N 3.4Å
143	E	97.3	Very high	96.7	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-46.3	177.1	-74.8	169.5	-179.3	0	0	112	Q139 T140 V141 R146 R147	Q139-E143 HydrophobicContact CG-CG 4.37Å; Q139-E143 VanDerWaalsContact CG-OE1 3.24Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.45Å; Q139-E143 PolarHBondContact NE2-OE1 3.5Å; Q139-E143 WeakPolarHBondContact O-CG 3.38Å; Q139-E143 PolarHBondContact O-N 2.98Å; T140-E143 PolarHBondContact O-N 3.45Å; T140-E143 VanDerWaalsContact O-N 3.1Å; V141-E143 PolarHBondContact O-N 3.37Å; E143-R146 PolarHBondContact O-N 3.48Å; E143-R147 WeakPolarHBondContact O-CB 3.11Å; E143-R147 PolarHBondContact O-N 2.84Å
144	Y	97.8	Very high	96.7	Very high	48 Å²	48	57.8 Å²	57.8	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-49.9	174.4	-83.4	-88.3	0	0	0	110.9	F30 L73 T140 R146 R147 A148 L156 L159	F30-Y144 HydrophobicContact CB-CD1 4.33Å; F30-Y144 HydrophobicContact CB-CE1 3.94Å; L73-Y144 HydrophobicContact CD2-CD2 4.42Å; L73-Y144 HydrophobicContact CD2-CG 3.96Å; T140-Y144 HydrophobicContact CG2-CD2 3.64Å; T140-Y144 HydrophobicContact CG2-CE2 3.45Å; T140-Y144 VanDerWaalsContact CG2-CE2 3.45Å; T140-Y144 VanDerWaalsContact O-CD2 3.28Å; T140-Y144 WeakPolarHBondContact O-CD2 3.46Å; T140-Y144 PolarHBondContact O-N 3.49Å; Y144-R146 VanDerWaalsContact C-N 3.32Å; Y144-R146 PolarHBondContact O-N 2.99Å; Y144-R147 WeakPolarHBondContact O-CB 3.27Å; Y144-R147 PolarHBondContact O-N 3.08Å; Y144-R147 VanDerWaalsContact O-N 3.1Å; Y144-A148 PolarHBondContact O-N 3.25Å; Y144-L156 HydrophobicContact CD1-CD1 3.9Å; Y144-L156 HydrophobicContact CD1-CD2 4Å; Y144-L156 WeakPolarHBondContact O-CD2 3.15Å; Y144-L159 HydrophobicContact CD1-CD1 3.49Å; Y144-L159 VanDerWaalsContact CD1-CD1 3.49Å; Y144-L159 HydrophobicContact CD1-CD2 4.47Å; Y144-L159 HydrophobicContact CE1-CB 4.44Å; Y144-L159 HydrophobicContact CE1-CD1 3.36Å; Y144-L159 HydrophobicContact CE1-CD2 3.71Å; Y144-L159 HydrophobicContact CE1-CG 4.01Å
145	I	98	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-40.8	-179.9	-57.4	168	0	0	0	110.7	L73 I78 Y97 V100 I103 L115 V141 C142 R147 A148 M149	L73-I145 HydrophobicContact CD2-CG1 4.42Å; I78-I145 HydrophobicContact CD1-CD1 4.36Å; Y97-I145 HydrophobicContact CD1-CG1 4.45Å; Y97-I145 HydrophobicContact CD1-CG2 3.91Å; Y97-I145 HydrophobicContact CE1-CB 4.45Å; Y97-I145 HydrophobicContact CE1-CG1 3.93Å; Y97-I145 HydrophobicContact CE1-CG2 4.23Å; V100-I145 HydrophobicContact CG1-CG2 4.35Å; V100-I145 HydrophobicContact CG2-CG2 4.32Å; I103-I145 HydrophobicContact CD1-CB 3.53Å; I103-I145 HydrophobicContact CD1-CD1 4.45Å; I103-I145 HydrophobicContact CD1-CG2 3.35Å; I103-I145 HydrophobicContact CG1-CG2 4.48Å; L115-I145 HydrophobicContact CD2-CD1 4.14Å; V141-I145 HydrophobicContact CG1-CD1 3.8Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.35Å; V141-I145 PolarHBondContact O-N 3.29Å; V141-I145 VanDerWaalsContact O-N 3.08Å; C142-I145 PolarHBondContact O-N 3.1Å; I145-R147 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.03Å; I145-A148 WeakPolarHBondContact O-CB 3.16Å; I145-A148 PolarHBondContact O-N 3.5Å; I145-M149 HydrophobicContact CG2-CG 4.32Å; I145-M149 HydrophobicContact CG2-SD 4.08Å; I145-M149 VanDerWaalsContact O-CG 3.27Å; I145-M149 WeakPolarHBondContact O-CG 3.41Å; I145-M149 PolarHBondContact O-N 3.4Å
146	R	97.2	Very high	96.4	Very high	90 Å²	90	54.5 Å²	54.5	34%	0.34	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-40.5	174.6	-76.1	-177.7	-165.8	111.4	2.3	112.4	I103 C142 E143 Y144 A148 M149 N150	I103-R146 HydrophobicContact CD1-CG 4.18Å; C142-R146 WeakPolarHBondContact O-CB 3.27Å; C142-R146 VanDerWaalsContact O-CG 3.26Å; C142-R146 WeakPolarHBondContact O-CG 3.43Å; C142-R146 PolarHBondContact O-N 3.4Å; E143-R146 PolarHBondContact O-N 3.48Å; Y144-R146 VanDerWaalsContact C-N 3.32Å; Y144-R146 PolarHBondContact O-N 2.99Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-A148 PolarHBondContact O-N 2.98Å; R146-M149 PolarHBondContact O-N 3.2Å; R146-N150 WeakPolarHBondContact O-CB 3.12Å; R146-N150 VanDerWaalsContact O-CG 3.28Å; R146-N150 PolarHBondContact O-N 2.59Å; R146-N150 PolarHBondContact O-ND2 3.1Å
147	R	97.1	Very high	96	Very high	109 Å²	109	53.6 Å²	53.6	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-44.7	175.8	-176	171	175.1	159.6	-4.1	111.1	E143 Y144 I145 N150 D151 L156 R157 D158 L159	E143-R147 WeakPolarHBondContact O-CB 3.11Å; E143-R147 PolarHBondContact O-N 2.84Å; Y144-R147 WeakPolarHBondContact O-CB 3.27Å; Y144-R147 PolarHBondContact O-N 3.08Å; Y144-R147 VanDerWaalsContact O-N 3.1Å; I145-R147 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.03Å; R147-N150 PolarHBondContact O-N 3.25Å; R147-D151 PolarHBondContact O-N 2.84Å; R147-L156 HydrophobicContact CB-CD2 4.29Å; R147-R157 PolarHBondContact NE-O 2.92Å; R147-R157 PolarHBondContact NH2-O 3.35Å; R147-R157 VanDerWaalsContact NH2-O 3.12Å; R147-D158 PolarHBondContact NH2-O 2.85Å; R147-L159 VanDerWaalsContact NH1-CD2 3.33Å
148	A	97.1	Very high	95.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-42.4	172.8	0	0	0	0	0	112.1	Y97 Y144 I145 R146 N150 D151 K154 L156	Y97-A148 HydrophobicContact CD1-CB 4.22Å; Y97-A148 HydrophobicContact CD2-CB 3.28Å; Y97-A148 HydrophobicContact CE2-CB 3.78Å; Y97-A148 HydrophobicContact CG-CB 3.52Å; Y144-A148 PolarHBondContact O-N 3.25Å; I145-A148 WeakPolarHBondContact O-CB 3.16Å; I145-A148 PolarHBondContact O-N 3.5Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-A148 PolarHBondContact O-N 2.98Å; A148-N150 PolarHBondContact O-N 3.42Å; A148-D151 VanDerWaalsContact O-CB 3.29Å; A148-D151 WeakPolarHBondContact O-CB 3.42Å; A148-D151 PolarHBondContact O-N 3.36Å; A148-D151 VanDerWaalsContact O-N 3.13Å; A148-K154 CarbonylContact O-C 3.6Å; A148-K154 VanDerWaalsContact O-CA 3.26Å; A148-K154 WeakPolarHBondContact O-CA 3.4Å; A148-L156 HydrophobicContact CB-CD2 3.9Å; A148-L156 HydrophobicContact CB-CG 3.94Å
149	M	95.8	Very high	94.9	Very high	29 Å²	29	61.5 Å²	61.5	14%	0.143	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-28.5	178.4	-71.9	171.3	63.5	0	0	113.3	V100 K101 I103 I145 R146 K154	V100-M149 HydrophobicContact CB-CG 4.31Å; V100-M149 HydrophobicContact CB-SD 3.97Å; V100-M149 HydrophobicContact CG1-CE 4.11Å; V100-M149 HydrophobicContact CG1-CG 4.47Å; V100-M149 HydrophobicContact CG1-SD 3.5Å; V100-M149 VanDerWaalsContact CG1-SD 3.5Å; K101-M149 VanDerWaalsContact O-CE 3.22Å; K101-M149 WeakPolarHBondContact O-CE 3.33Å; I103-M149 HydrophobicContact CD1-SD 3.7Å; I103-M149 HydrophobicContact CG1-SD 3.81Å; I145-M149 HydrophobicContact CG2-CG 4.32Å; I145-M149 HydrophobicContact CG2-SD 4.08Å; I145-M149 VanDerWaalsContact O-CG 3.27Å; I145-M149 WeakPolarHBondContact O-CG 3.41Å; I145-M149 PolarHBondContact O-N 3.4Å; R146-M149 PolarHBondContact O-N 3.2Å; M149-K154 WeakPolarHBondContact O-CD 3.49Å; M149-K154 WeakPolarHBondContact O-CE 3.44Å; M149-K154 PolarHBondContact O-NZ 3.44Å
150	N	95.5	Very high	94.6	Very high	141 Å²	141	63.1 Å²	63.1	75%	0.754	32%	0.317	S	S	*	.	H	α-helix	trans	-83.9	-14.2	177.4	-69.7	-21.6	0	0	0	113.1	R146 R147 A148	R146-N150 WeakPolarHBondContact O-CB 3.12Å; R146-N150 VanDerWaalsContact O-CG 3.28Å; R146-N150 PolarHBondContact O-N 2.59Å; R146-N150 PolarHBondContact O-ND2 3.1Å; R147-N150 PolarHBondContact O-N 3.25Å; A148-N150 PolarHBondContact O-N 3.42Å
151	D	95.1	Very high	94.3	Very high	27 Å²	27	63.4 Å²	63.4	14%	0.144	32%	0.321	C	S	.	.	S	Bend	trans	-71.7	147.6	174.2	-177	74.5	0	0	0	111.7	R147 A148 D153 K154 V155 R157	R147-D151 PolarHBondContact O-N 2.84Å; A148-D151 VanDerWaalsContact O-CB 3.29Å; A148-D151 WeakPolarHBondContact O-CB 3.42Å; A148-D151 PolarHBondContact O-N 3.36Å; A148-D151 VanDerWaalsContact O-N 3.13Å; D151-D153 WeakPolarHBondContact OD2-CA 3.4Å; D151-D153 PolarHBondContact OD2-N 3.34Å; D151-K154 PolarHBondContact O-N 2.89Å; D151-K154 PolarHBondContact O-NZ 2.86Å; D151-K154 PolarHBondContact OD2-N 3.25Å; D151-V155 WeakPolarHBondContact CB-O 3.24Å; D151-V155 WeakPolarHBondContact OD2-CG2 3.41Å; D151-V155 PolarHBondContact OD2-N 2.69Å; D151-R157 IonicContact OD1-CZ 3.37Å; D151-R157 VanDerWaalsContact OD1-CZ 3.23Å; D151-R157 IonicContact OD1-NE 3.94Å; D151-R157 PolarHBondContact OD1-NE 2.73Å; D151-R157 IonicContact OD1-NH2 3.68Å; D151-R157 PolarHBondContact OD1-NH2 2.9Å; D151-R157 IonicContact OD2-CZ 3.64Å; D151-R157 IonicContact OD2-NE 3.63Å; D151-R157 IonicContact OD2-NH2 2.72Å; D151-R157 PolarHBondContact OD2-NH2 3.18Å
152	T	93.7	Very high	94.1	Very high	127 Å²	127	68.3 Å²	68.3	78%	0.779	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-44	-179.1	-55.6	0	0	0	0	111.8	K154	T152-K154 VanDerWaalsContact C-N 3.3Å
153	D	92.7	Very high	93.9	Very high	108 Å²	108	74.3 Å²	74.3	58%	0.578	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	3.4	-178.1	-54.6	-42.7	0	0	0	112.2	D151 V155 R157	D151-D153 WeakPolarHBondContact OD2-CA 3.4Å; D151-D153 PolarHBondContact OD2-N 3.34Å; D153-V155 HydrophobicContact CB-CG2 4.27Å; D153-R157 IonicContact OD2-CZ 3.23Å; D153-R157 IonicContact OD2-NH1 2.7Å; D153-R157 IonicContact OD2-NH2 3.05Å; D153-R157 PolarHBondContact OD2-NH2 3.36Å
154	K	94.2	Very high	93.7	Very high	73 Å²	73	75.2 Å²	75.2	32%	0.317	37%	0.373	S	S	.	.	S	Bend	trans	59.7	43	-177.1	-53	-66.7	169.6	-132.2	0	113	Y97 K98 A148 M149 D151 T152	Y97-K154 WeakPolarHBondContact CB-O 3.42Å; K98-K154 HydrophobicContact CB-CB 3.9Å; K98-K154 HydrophobicContact CB-CG 3.95Å; A148-K154 CarbonylContact O-C 3.6Å; A148-K154 VanDerWaalsContact O-CA 3.26Å; A148-K154 WeakPolarHBondContact O-CA 3.4Å; M149-K154 WeakPolarHBondContact O-CD 3.49Å; M149-K154 WeakPolarHBondContact O-CE 3.44Å; M149-K154 PolarHBondContact O-NZ 3.44Å; D151-K154 PolarHBondContact O-N 2.89Å; D151-K154 PolarHBondContact O-NZ 2.86Å; D151-K154 PolarHBondContact OD2-N 3.25Å; T152-K154 VanDerWaalsContact C-N 3.3Å
155	V	94.4	Very high	93.3	Very high	35 Å²	35	74.5 Å²	74.5	21%	0.212	37%	0.374	C	S	.	.			trans	-121.9	151.7	178	-61.3	0	0	0	0	112.8	E75 D76 D151 D153 R157	E75-V155 CarbonylContact O-C 3.6Å; E75-V155 WeakPolarHBondContact O-CA 3.12Å; E75-V155 WeakPolarHBondContact O-CB 3.38Å; D76-V155 HydrophobicContact CB-CG1 4.27Å; D151-V155 WeakPolarHBondContact CB-O 3.24Å; D151-V155 WeakPolarHBondContact OD2-CG2 3.41Å; D151-V155 PolarHBondContact OD2-N 2.69Å; D153-V155 HydrophobicContact CB-CG2 4.27Å; V155-R157 PolarHBondContact O-N 2.86Å
156	L	93.9	Very high	92.8	Very high	4 Å²	4	81.9 Å²	81.9	2%	0.021	40%	0.403	C	S	.	.			trans	-75.3	114.7	164.5	-77.3	-177.6	0	0	0	109.6	F30 L73 L74 E75 Y97 Y144 R147 A148 L159	F30-L156 HydrophobicContact CB-CD1 4.38Å; F30-L156 HydrophobicContact CD2-CB 3.79Å; F30-L156 HydrophobicContact CD2-CD1 3.85Å; F30-L156 HydrophobicContact CD2-CG 4.47Å; F30-L156 HydrophobicContact CE2-CB 3.71Å; F30-L156 HydrophobicContact CG-CD1 4.37Å; F30-L156 HydrophobicContact CZ-CB 4.44Å; L73-L156 HydrophobicContact CB-CD1 4.23Å; L74-L156 WeakPolarHBondContact O-CD1 3.24Å; E75-L156 PolarHBondContact O-N 2.99Å; Y97-L156 HydrophobicContact CE2-CB 4.37Å; Y97-L156 HydrophobicContact CE2-CD1 3.9Å; Y97-L156 HydrophobicContact CE2-CG 3.67Å; Y97-L156 VanDerWaalsContact OH-CD1 3.27Å; Y97-L156 WeakPolarHBondContact OH-CD1 3.33Å; Y144-L156 HydrophobicContact CD1-CD1 3.9Å; Y144-L156 HydrophobicContact CD1-CD2 4Å; Y144-L156 WeakPolarHBondContact O-CD2 3.15Å; R147-L156 HydrophobicContact CB-CD2 4.29Å; A148-L156 HydrophobicContact CB-CD2 3.9Å; A148-L156 HydrophobicContact CB-CG 3.94Å; L156-L159 HydrophobicContact CB-CD1 4.36Å; L156-L159 HydrophobicContact CD2-CD1 3.77Å
157	R	88.8	Confident	92.1	Very high	92 Å²	92	78 Å²	78	35%	0.347	39%	0.389	S	S	.	.			trans	-134.5	167.6	171.2	65.4	178.8	104.1	-155.1	4.3	111.5	R147 D151 D153 V155 L159	R147-R157 PolarHBondContact NE-O 2.92Å; R147-R157 PolarHBondContact NH2-O 3.35Å; R147-R157 VanDerWaalsContact NH2-O 3.12Å; D151-R157 IonicContact OD1-CZ 3.37Å; D151-R157 VanDerWaalsContact OD1-CZ 3.23Å; D151-R157 IonicContact OD1-NE 3.94Å; D151-R157 PolarHBondContact OD1-NE 2.73Å; D151-R157 IonicContact OD1-NH2 3.68Å; D151-R157 PolarHBondContact OD1-NH2 2.9Å; D151-R157 IonicContact OD2-CZ 3.64Å; D151-R157 IonicContact OD2-NE 3.63Å; D151-R157 IonicContact OD2-NH2 2.72Å; D151-R157 PolarHBondContact OD2-NH2 3.18Å; D153-R157 IonicContact OD2-CZ 3.23Å; D153-R157 IonicContact OD2-NH1 2.7Å; D153-R157 IonicContact OD2-NH2 3.05Å; D153-R157 PolarHBondContact OD2-NH2 3.36Å; V155-R157 PolarHBondContact O-N 2.86Å; R157-L159 VanDerWaalsContact C-N 3.34Å; R157-L159 PolarHBondContact O-N 3.37Å
158	D	84.6	Confident	91.2	Very high	138 Å²	138	76.1 Å²	76.1	74%	0.738	39%	0.387	S	S	*	.	S	Bend	trans	60.5	39	178	-42.6	-42.2	0	0	0	113.9	R147	R147-D158 PolarHBondContact NH2-O 2.85Å
159	L	89.2	Confident	90.1	Very high	41 Å²	41	77 Å²	77	22%	0.215	39%	0.392	C	S	.	.	S	Bend	trans	-127.6	148.6	176.8	-71.7	156.8	0	0	0	108.9	F30 Y144 R147 L156 R157 S161	F30-L159 HydrophobicContact CD1-CB 3.51Å; F30-L159 HydrophobicContact CD1-CD1 4.42Å; F30-L159 HydrophobicContact CE1-CB 3.78Å; F30-L159 WeakPolarHBondContact CE1-O 3.2Å; F30-L159 HydrophobicContact CG-CB 4.37Å; Y144-L159 HydrophobicContact CD1-CD1 3.49Å; Y144-L159 VanDerWaalsContact CD1-CD1 3.49Å; Y144-L159 HydrophobicContact CD1-CD2 4.47Å; Y144-L159 HydrophobicContact CE1-CB 4.44Å; Y144-L159 HydrophobicContact CE1-CD1 3.36Å; Y144-L159 HydrophobicContact CE1-CD2 3.71Å; Y144-L159 HydrophobicContact CE1-CG 4.01Å; R147-L159 VanDerWaalsContact NH1-CD2 3.33Å; L156-L159 HydrophobicContact CB-CD1 4.36Å; L156-L159 HydrophobicContact CD2-CD1 3.77Å; R157-L159 VanDerWaalsContact C-N 3.34Å; R157-L159 PolarHBondContact O-N 3.37Å; L159-S161 PolarHBondContact O-N 3.41Å; L159-S161 VanDerWaalsContact O-N 3.14Å
160	T	91.3	Very high	88.5	Confident	133 Å²	133	80.7 Å²	80.7	82%	0.816	42%	0.416	S	S	*	.			trans	-71	110.1	173.9	-53.8	0	0	0	0	109.2
161	S	91.3	Very high	86.9	Confident	43 Å²	43	77.5 Å²	77.5	30%	0.301	42%	0.416	S	S	.	.			trans	-69.2	140.6	174.5	65.5	0	0	0	0	111.2	H28 L29 L159	H28-S161 PolarHBondContact CD2-OG 3.12Å; L29-S161 CarbonylContact O-C 3.54Å; L159-S161 PolarHBondContact O-N 3.41Å; L159-S161 VanDerWaalsContact O-N 3.14Å
162	I	94.1	Very high	85.5	Confident	104 Å²	104	80.4 Å²	80.4	53%	0.533	43%	0.425	S	S	.	.	S	Bend	trans	-68.2	-47.5	171.9	-59.6	173.2	0	0	0	110.2	L29	L29-I162 WeakPolarHBondContact O-CB 3.49Å; L29-I162 PolarHBondContact O-N 3.49Å
163	R	93.4	Very high	84.2	Confident	125 Å²	125	80.3 Å²	80.3	47%	0.472	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	168.5	-180	59.9	179.5	176.3	-138.6	-7.6	110.7	L29 E32 V165	L29-R163 HydrophobicContact CB-CG 4.21Å; L29-R163 HydrophobicContact CD2-CG 4.02Å; L29-R163 PolarHBondContact N-O 2.99Å; E32-R163 IonicContact OE1-NH2 3.95Å; E32-R163 IonicContact OE2-NH2 2.59Å; E32-R163 PolarHBondContact OE2-NH2 3.24Å; R163-V165 HydrophobicContact CG-CG1 3.99Å
164	Q	92	Very high	83	Confident	112 Å²	112	76.3 Å²	76.3	52%	0.523	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.8	162.6	-70.1	-177.8	-13.3	0	0	110.1	Q27 H28	Q27-Q164 CarbonylContact O-C 3.54Å; Q27-Q164 WeakPolarHBondContact O-CA 3.44Å; H28-Q164 PolarHBondContact CE1-NE2 3.24Å; H28-Q164 PolarHBondContact NE2-NE2 3.37Å
165	V	90.6	Very high	81.3	Confident	34 Å²	34	75.3 Å²	75.3	21%	0.206	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	176.8	-63.4	0	0	0	0	110	K26 Q27 L29 L74 R163 V167	K26-V165 CarbonylContact C-O 3.52Å; K26-V165 WeakPolarHBondContact CA-O 3.27Å; Q27-V165 PolarHBondContact N-O 2.93Å; Q27-V165 WeakPolarHBondContact O-CG2 3.37Å; Q27-V165 PolarHBondContact O-N 3.33Å; L29-V165 HydrophobicContact CB-CG1 4.15Å; L29-V165 HydrophobicContact CB-CG2 4.38Å; L29-V165 HydrophobicContact CD2-CG1 4.29Å; L74-V165 HydrophobicContact CD2-CG2 3.62Å; R163-V165 HydrophobicContact CG-CG1 3.99Å; V165-V167 HydrophobicContact CG2-CG2 4.34Å
166	Y	87.1	Confident	79.4	Confident	155 Å²	155	78.6 Å²	78.6	61%	0.608	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.7	171.2	-171.1	-98	0	0	0	108.8	G24 D168	G24-Y166 VanDerWaalsContact C-CE2 3.42Å; G24-Y166 WeakPolarHBondContact CA-OH 3.28Å; G24-Y166 WeakPolarHBondContact O-CE2 3.26Å; Y166-D168 HydrophobicContact CD1-CB 4.22Å; Y166-D168 HydrophobicContact CE1-CB 4.04Å
167	V	82.7	Confident	77.2	Confident	7 Å²	7	79.8 Å²	79.8	4%	0.042	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.5	178.3	-176.4	0	0	0	0	108.7	G24 S25 Q27 L74 V165	G24-V167 WeakPolarHBondContact CA-O 3.46Å; G24-V167 PolarHBondContact N-O 3.31Å; S25-V167 PolarHBondContact O-N 2.66Å; S25-V167 VanDerWaalsContact O-N 3.12Å; Q27-V167 HydrophobicContact CB-CG2 4.07Å; Q27-V167 HydrophobicContact CG-CG2 3.88Å; L74-V167 HydrophobicContact CD1-CG2 3.67Å; V165-V167 HydrophobicContact CG2-CG2 4.34Å
168	D	77.9	Confident	75	Confident	71 Å²	71	79 Å²	79	38%	0.38	43%	0.434	S	S	.	.			trans	-101.6	105	170.4	-168.6	5.3	0	0	0	110	Y166 V170 R172	Y166-D168 HydrophobicContact CD1-CB 4.22Å; Y166-D168 HydrophobicContact CE1-CB 4.04Å; D168-V170 VanDerWaalsContact C-N 3.32Å; D168-V170 WeakPolarHBondContact OD1-CB 3.12Å; D168-V170 WeakPolarHBondContact OD1-CG2 3.29Å; D168-V170 PolarHBondContact OD1-N 3.32Å; D168-R172 WeakPolarHBondContact O-CD 3.44Å; D168-R172 PolarHBondContact O-NE 2.96Å
169	D	72.9	Confident	72.8	Confident	19 Å²	19	80.9 Å²	80.9	10%	0.102	44%	0.436	C	S	.	.			trans	-85.7	-7.5	174.2	-71.1	-25.1	0	0	0	111.9	V23 R77 W94 G171 R172	V23-D169 HydrophobicContact CG2-CB 4.39Å; R77-D169 IonicContact CZ-OD2 3.26Å; R77-D169 IonicContact NH1-OD1 3.13Å; R77-D169 PolarHBondContact NH1-OD1 3.06Å; R77-D169 IonicContact NH1-OD2 2.71Å; R77-D169 PolarHBondContact NH1-OD2 2.88Å; R77-D169 IonicContact NH2-OD2 3.54Å; W94-D169 HydrophobicContact CH2-CB 3.68Å; W94-D169 HydrophobicContact CZ2-CB 4.25Å; W94-D169 HydrophobicContact CZ3-CB 4.03Å; W94-D169 WeakPolarHBondContact CZ3-OD1 3.29Å; D169-G171 PolarHBondContact O-N 2.81Å; D169-G171 VanDerWaalsContact O-N 3.12Å; D169-R172 PolarHBondContact O-N 3.37Å
170	V	64	Low	70.4	Confident	106 Å²	106	87.3 Å²	87.3	64%	0.642	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	117.9	179.2	-176.7	0	0	0	0	108.9	V23 D168	V23-V170 HydrophobicContact CG1-CG2 3.64Å; D168-V170 VanDerWaalsContact C-N 3.32Å; D168-V170 WeakPolarHBondContact OD1-CB 3.12Å; D168-V170 WeakPolarHBondContact OD1-CG2 3.29Å; D168-V170 PolarHBondContact OD1-N 3.32Å
171	G	60.3	Low	67.6	Low	74 Å²	74	88.8 Å²	88.8	76%	0.763	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-7.7	-178.8	0	0	0	0	0	115.8	D169 V173	D169-G171 PolarHBondContact O-N 2.81Å; D169-G171 VanDerWaalsContact O-N 3.12Å; G171-V173 PolarHBondContact O-N 3.35Å
172	R	66.7	Low	64.7	Low	88 Å²	88	94.2 Å²	94.2	33%	0.332	49%	0.487	S	S	.	.			trans	-88.4	92.7	175.7	-67.9	-176.8	-177.1	-159.9	-5	110.3	E81 P93 W94 D168 D169	E81-R172 IonicContact OE2-NH2 2.77Å; P93-R172 HydrophobicContact CB-CB 4.03Å; P93-R172 HydrophobicContact CG-CB 4Å; W94-R172 HydrophobicContact CE3-CB 4.47Å; W94-R172 HydrophobicContact CH2-CB 4.01Å; W94-R172 WeakPolarHBondContact CH2-O 3.41Å; W94-R172 HydrophobicContact CZ3-CB 3.42Å; W94-R172 VanDerWaalsContact CZ3-CB 3.42Å; W94-R172 HydrophobicContact CZ3-CG 4.35Å; D168-R172 WeakPolarHBondContact O-CD 3.44Å; D168-R172 PolarHBondContact O-NE 2.96Å; D169-R172 PolarHBondContact O-N 3.37Å
173	V	66.3	Low	61.7	Low	125 Å²	125	93 Å²	93	76%	0.758	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-82.9	131	-177.5	-175.8	0	0	0	0	111.5	G171 S175	G171-V173 PolarHBondContact O-N 3.35Å; V173-S175 PolarHBondContact O-N 3.13Å
174	R	67.8	Low	58.8	Low	23 Å²	23	94.6 Å²	94.6	9%	0.087	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-74	119.4	168.7	-69.6	177.5	163.1	-138.4	2.6	109.3	R92 P93 W94 E99 V176	R92-R174 HydrophobicContact CB-CB 4.48Å; R92-R174 HydrophobicContact CB-CG 4.3Å; P93-R174 HydrophobicContact CG-CG 4.24Å; W94-R174 HydrophobicContact CZ2-CG 4.37Å; W94-R174 PolarHBondContact O-NH2 2.98Å; E99-R174 VanDerWaalsContact CD-NH1 3.26Å; E99-R174 IonicContact OE1-CZ 2.73Å; E99-R174 IonicContact OE1-NH1 2.84Å; E99-R174 PolarHBondContact OE1-NH1 3.25Å; E99-R174 IonicContact OE2-CZ 3.69Å; E99-R174 VanDerWaalsContact OE2-CZ 3.26Å; E99-R174 IonicContact OE2-NH1 3.25Å; E99-R174 PolarHBondContact OE2-NH1 2.91Å; E99-R174 IonicContact OE2-NH2 3.26Å; E99-R174 PolarHBondContact OE2-NH2 3.2Å; R174-V176 PolarHBondContact O-N 3.26Å
175	S	58.5	Low	55.9	Low	52 Å²	52	100.9 Å²	100.9	36%	0.364	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-64.3	124.9	173.4	173.1	0	0	0	0	110	R40 F91 V173 S177	R40-S175 PolarHBondContact NH1-O 3.13Å; F91-S175 WeakPolarHBondContact O-CB 3.5Å; V173-S175 PolarHBondContact O-N 3.13Å; S175-S177 VanDerWaalsContact C-N 3.3Å; S175-S177 PolarHBondContact O-N 2.73Å; S175-S177 PolarHBondContact OG-O 3.19Å; S175-S177 VanDerWaalsContact OG-O 3.12Å
176	V	54	Low	53.3	Low	105 Å²	105	103.4 Å²	103.4	64%	0.636	54%	0.543	S	S	*	.	S	Bend	trans	-77	-12	-176.6	-74.6	0	0	0	0	113.6	Y126 R174	Y126-V176 PolarHBondContact OH-O 3.45Å; R174-V176 PolarHBondContact O-N 3.26Å
177	S	48	Very low	50.8	Low	29 Å²	29	101.4 Å²	101.4	20%	0.203	55%	0.547	C	S	.	.	S	Bend	trans	174.8	160.7	168.9	27.3	0	0	0	0	109.8	S175 F179	S175-S177 VanDerWaalsContact C-N 3.3Å; S175-S177 PolarHBondContact O-N 2.73Å; S175-S177 PolarHBondContact OG-O 3.19Å; S175-S177 VanDerWaalsContact OG-O 3.12Å; S177-F179 PolarHBondContact O-N 3.47Å; S177-F179 WeakPolarHBondContact OG-CD2 3.18Å
178	N	43.5	Very low	48.3	Very low	74 Å²	74	107.4 Å²	107.4	40%	0.396	58%	0.577	S	S	.	*			trans	-68.3	62.3	175.4	-63.7	-23.4	0	0	0	111.8	R40 E180	R40-N178 PolarHBondContact O-ND2 2.86Å; N178-E180 PolarHBondContact O-N 3.13Å
179	F	36.8	Very low	46.1	Very low	178 Å²	178	109 Å²	109	78%	0.781	59%	0.594	S	S	*	*			trans	-81.7	4.9	177.6	-102.7	-81.2	0	0	0	114.3	S177 I181	S177-F179 PolarHBondContact O-N 3.47Å; S177-F179 WeakPolarHBondContact OG-CD2 3.18Å; F179-I181 PolarHBondContact O-N 3.24Å; F179-I181 VanDerWaalsContact O-N 3.12Å
180	E	38.5	Very low	44.1	Very low	177 Å²	177	114.1 Å²	114.1	83%	0.827	63%	0.626	S	S	*	*	S	Bend	trans	-84.4	86.5	167.4	-66.7	-171.1	173	0	0	110.2	N178 E182	N178-E180 PolarHBondContact O-N 3.13Å; E180-E182 PolarHBondContact O-N 3.29Å
181	I	32.8	Very low	42.8	Very low	164 Å²	164	117 Å²	117	84%	0.841	63%	0.632	S	S	*	*			trans	30.6	67.4	135.1	-47.2	172.3	0	0	0	114.6	F179	F179-I181 PolarHBondContact O-N 3.24Å; F179-I181 VanDerWaalsContact O-N 3.12Å
182	E	30.9	Very low	41.4	Very low	156 Å²	156	122.3 Å²	122.3	73%	0.729	64%	0.638	S	S	*	*			trans	-157.8	106.7	160.4	-110.9	174.5	-154.7	0	0	109.9	E180	E180-E182 PolarHBondContact O-N 3.29Å
183	N	31.1	Very low	39.9	Very low	80 Å²	80	124.1 Å²	124.1	43%	0.428	66%	0.659	S	S	.	*			trans	102.5	33.9	167.2	-54.2	-55.5	0	0	0	120.7	R185	N183-R185 PolarHBondContact O-N 3Å
184	N	31.4	Very low	38.3	Very low	158 Å²	158	125.4 Å²	125.4	85%	0.845	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	18.7	153.9	-91.2	-16.9	0	0	0	114.3
185	R	32.8	Very low	36.8	Very low	244 Å²	244	133.4 Å²	133.4	92%	0.921	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-4.7	173.8	-103.7	-176.4	174.1	175.9	-1.6	114.7	N183	N183-R185 PolarHBondContact O-N 3Å
186	A	34.4	Very low	35.7	Very low	86 Å²	86	137.8 Å²	137.8	71%	0.711	72%	0.719	S	S	*	*	S	Bend	trans	-111.9	8.5	-174.7	0	0	0	0	0	115
187	T	36.3	Very low	34.8	Very low	113 Å²	113	139.7 Å²	139.7	69%	0.693	73%	0.725	S	S	*	*			trans	-123.6	12.2	-176.6	7.6	0	0	0	0	114.5	S189	T187-S189 PolarHBondContact O-N 3.48Å
188	I	29.8	Very low	34.1	Very low	133 Å²	133	149 Å²	149	68%	0.682	76%	0.758	S	S	*	*			trans	-77.8	102	159.4	-58.2	177.1	0	0	0	106.1	T190	I188-T190 HydrophobicContact CG2-CG2 4.46Å; I188-T190 PolarHBondContact O-N 3.1Å
189	S	30.9	Very low	33.9	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	78%	0.779	S	S	*	*			trans	-61.1	89.1	155.5	46.4	0	0	0	0	107.5	T187 Q191	T187-S189 PolarHBondContact O-N 3.48Å; S189-Q191 PolarHBondContact O-N 2.9Å
190	T	31.8	Very low	33.9	Very low	125 Å²	125	153 Å²	153	77%	0.767	78%	0.784	S	S	*	*			trans	-65	95.3	158.9	14.6	0	0	0	0	106	I188 E192	I188-T190 HydrophobicContact CG2-CG2 4.46Å; I188-T190 PolarHBondContact O-N 3.1Å; T190-E192 PolarHBondContact O-N 3.19Å
191	Q	36	Very low	33.8	Very low	166 Å²	166	152.1 Å²	152.1	78%	0.776	79%	0.785	S	S	*	*			trans	-58.3	116.6	157.7	-81.2	-179.8	-13.8	0	0	106.5	S189 T193	S189-Q191 PolarHBondContact O-N 2.9Å; Q191-T193 PolarHBondContact O-N 3.31Å
192	E	30.8	Very low	34.1	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	78%	0.783	S	S	*	*			trans	-55.1	104.8	164.6	-65.7	175.3	165	0	0	107.8	T190	T190-E192 PolarHBondContact O-N 3.19Å
193	T	35.1	Very low	34.7	Very low	126 Å²	126	151.2 Å²	151.2	77%	0.773	79%	0.79	S	S	*	*			trans	-120.7	97.7	158.7	19.9	0	0	0	0	106.3	Q191 Q195	Q191-T193 PolarHBondContact O-N 3.31Å; T193-Q195 PolarHBondContact O-N 2.91Å
194	N	33	Very low	35	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	80%	0.803	S	S	*	*			trans	-49.4	118.8	153.4	-71.9	-51.1	0	0	0	107.8
195	Q	37	Very low	35.5	Very low	191 Å²	191	150.9 Å²	150.9	89%	0.893	80%	0.803	S	S	*	*			trans	-174.6	136.1	137.3	-100.3	160.4	31.5	0	0	110.2	T193	T193-Q195 PolarHBondContact O-N 2.91Å
196	N	35.1	Very low	35.9	Very low	144 Å²	144	145.6 Å²	145.6	77%	0.77	80%	0.798	S	S	*	*			trans	-62.9	160.3	178.8	-60.6	-50.9	0	0	0	111.8
197	D	35.5	Very low	36.1	Very low	144 Å²	144	152.3 Å²	152.3	77%	0.77	81%	0.806	S	S	*	*			trans	129.1	131.7	136.5	-68.3	-38.2	0	0	0	116.3
198	Y	33.3	Very low	36.2	Very low	224 Å²	224	154 Å²	154	88%	0.878	81%	0.81	S	S	*	*			trans	-61.7	135.9	-175.9	-56.6	-98.9	0	0	0	112.4
199	A	39.6	Very low	37	Very low	102 Å²	102	153.2 Å²	153.2	84%	0.843	81%	0.813	S	S	*	*			trans	-174.6	126.9	135.8	0	0	0	0	0	112.4
200	R	35.1	Very low	37.1	Very low	235 Å²	235	153.3 Å²	153.3	89%	0.887	81%	0.814	S	S	*	*			trans	-67.7	135.9	167.6	-150.6	-177.4	-141.3	170.9	2.9	108.8
201	N	38.2	Very low	37.6	Very low	158 Å²	158	153.4 Å²	153.4	85%	0.845	82%	0.816	S	S	*	*			trans	-171.8	142.6	139.8	-94.5	-18	0	0	0	113.7
202	T	37.1	Very low	38	Very low	130 Å²	130	151.6 Å²	151.6	80%	0.798	82%	0.816	S	S	*	*			trans	-75.3	142.8	-172.5	43.9	0	0	0	0	114.3
203	I	44.1	Very low	38.2	Very low	171 Å²	171	151.4 Å²	151.4	88%	0.877	82%	0.818	S	S	*	*			trans	-135	129.9	164.2	-58	178.2	0	0	0	109.7
204	S	38	Very low	38.4	Very low	100 Å²	100	151.7 Å²	151.7	70%	0.699	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.6	160.8	-173.6	-50.8	0	0	0	0	115.1
205	P	40.9	Very low	38.6	Very low	132 Å²	132	149.3 Å²	149.3	86%	0.857	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.6	136.7	-175.7	30.6	-33	0	0	0	113.3
206	V	41.9	Very low	38.7	Very low	133 Å²	133	145.9 Å²	145.9	81%	0.806	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.8	130.9	176.3	176.5	0	0	0	0	110.4
207	Y	38.2	Very low	38.8	Very low	227 Å²	227	145 Å²	145	89%	0.89	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.7	130.1	176.2	-134.4	-100.3	0	0	0	110.6
208	I	39	Very low	38.9	Very low	149 Å²	149	148 Å²	148	76%	0.764	81%	0.814	S	S	*	*			trans	-113.6	126.4	176.6	-43.8	174.8	0	0	0	108.8
209	P	46.4	Very low	39.1	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71	150.3	179.7	-11	25.7	0	0	0	112.9
210	S	34.1	Very low	38.9	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-58.8	144.7	178.3	-55.3	0	0	0	0	113.4
211	P	41.8	Very low	38.9	Very low	126 Å²	126	144.1 Å²	144.1	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.2	136.6	178.2	25.7	-32	0	0	0	112
212	V	44.5	Very low	38.9	Very low	129 Å²	129	143.3 Å²	143.3	78%	0.782	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.5	125.7	176.1	174.2	0	0	0	0	109.9	V214	V212-V214 HydrophobicContact CG1-CG2 4.42Å
213	M	35.5	Very low	39.3	Very low	183 Å²	183	140.5 Å²	140.5	90%	0.901	78%	0.783	S	S	*	*			trans	-78.7	115.8	170.9	-67.8	-76.4	-76.1	0	0	109.2
214	V	38.9	Very low	39.1	Very low	131 Å²	131	137.3 Å²	137.3	79%	0.794	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-99.9	116.8	172.1	-164.9	0	0	0	0	108.3	V212	V212-V214 HydrophobicContact CG1-CG2 4.42Å
215	S	36.2	Very low	39.3	Very low	102 Å²	102	141 Å²	141	71%	0.713	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.9	143.8	173.5	-73.7	0	0	0	0	111.2	V217	S215-V217 PolarHBondContact O-N 2.71Å
216	P	39.2	Very low	39.2	Very low	120 Å²	120	141 Å²	141	78%	0.779	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.2	129.1	174.5	25.3	-30.9	0	0	0	109.8	K218	P216-K218 PolarHBondContact O-N 2.89Å
217	V	37.8	Very low	39	Very low	125 Å²	125	138.5 Å²	138.5	76%	0.758	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-62.3	121.4	170.3	177.5	0	0	0	0	107.6	S215 Q219	S215-V217 PolarHBondContact O-N 2.71Å; V217-Q219 VanDerWaalsContact C-N 3.29Å; V217-Q219 HydrophobicContact CG1-CG 4.45Å; V217-Q219 PolarHBondContact O-N 3.25Å
218	K	37.6	Very low	38.9	Very low	206 Å²	206	133.4 Å²	133.4	90%	0.896	77%	0.767	S	S	*	*			trans	-64.4	90.4	167.8	-74.6	-177.1	176.5	180	0	108.5	P216 S220	P216-K218 PolarHBondContact O-N 2.89Å; K218-S220 PolarHBondContact O-N 3.13Å
219	Q	36.6	Very low	39.2	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.822	77%	0.767	S	S	*	*			trans	-81	102.2	162.8	-88.6	-179.6	-20.8	0	0	108.2	V217 Y221	V217-Q219 VanDerWaalsContact C-N 3.29Å; V217-Q219 HydrophobicContact CG1-CG 4.45Å; V217-Q219 PolarHBondContact O-N 3.25Å; Q219-Y221 VanDerWaalsContact C-N 3.35Å; Q219-Y221 PolarHBondContact O-N 3.28Å
220	S	35.6	Very low	38.8	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	77%	0.77	S	S	*	*			trans	-64.4	93.7	164.4	44.1	0	0	0	0	108.9	K218	K218-S220 PolarHBondContact O-N 3.13Å
221	Y	34.4	Very low	38.9	Very low	187 Å²	187	142.4 Å²	142.4	73%	0.733	78%	0.775	S	S	*	*			trans	-86.9	107.1	170.1	-169.7	-96.3	0	0	0	108.7	Q219 P223	Q219-Y221 VanDerWaalsContact C-N 3.35Å; Q219-Y221 PolarHBondContact O-N 3.28Å; Y221-P223 HydrophobicContact CD1-CB 4.31Å; Y221-P223 HydrophobicContact CE1-CB 3.86Å; Y221-P223 WeakPolarHBondContact O-CD 3.09Å
222	N	40.2	Very low	38.9	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	78%	0.777	S	S	*	*			trans	-87.5	110.4	163	-81.5	-17.3	0	0	0	107.2
223	P	45.1	Very low	38.7	Very low	72 Å²	72	145.8 Å²	145.8	47%	0.468	77%	0.768	S	S	.	*			trans	-65.3	135.9	173.3	22.9	-23.4	0	0	0	108.5	Y221 H225	Y221-P223 HydrophobicContact CD1-CB 4.31Å; Y221-P223 HydrophobicContact CE1-CB 3.86Å; Y221-P223 WeakPolarHBondContact O-CD 3.09Å; P223-H225 PolarHBondContact O-N 2.94Å; P223-H225 VanDerWaalsContact O-N 3.16Å
224	P	38.8	Very low	39.5	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	75%	0.752	S	S	*	*			trans	-61.9	120.7	175.2	21.5	-27.3	0	0	0	109.5	T226	P224-T226 PolarHBondContact O-N 3.12Å
225	H	42.2	Very low	39.9	Very low	178 Å²	178	142.8 Å²	142.8	82%	0.824	75%	0.75	S	S	*	*	S	Bend	trans	-71.8	50.7	-179.8	-68	-82.3	0	0	0	113	P223	P223-H225 PolarHBondContact O-N 2.94Å; P223-H225 VanDerWaalsContact O-N 3.16Å
226	T	38.6	Very low	40.6	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	75%	0.749	S	S	*	*			trans	-157	70.2	175	52.9	0	0	0	0	111.4	P224	P224-T226 PolarHBondContact O-N 3.12Å
227	A	38.2	Very low	41.3	Very low	80 Å²	80	141.6 Å²	141.6	66%	0.661	74%	0.737	S	S	*	*			trans	-156.4	121.8	153	0	0	0	0	0	107.7	I229	A227-I229 PolarHBondContact O-N 3.22Å
228	S	36.4	Very low	42.1	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	74%	0.741	S	S	*	*			trans	-64.2	81.3	171.1	47.5	0	0	0	0	109.3	K230	S228-K230 PolarHBondContact O-N 3.46Å
229	I	44.4	Very low	43.1	Very low	147 Å²	147	141.4 Å²	141.4	75%	0.754	74%	0.74	S	S	*	*			trans	-67.9	94.6	166.1	-60.7	173.7	0	0	0	105	A227 R231	A227-I229 PolarHBondContact O-N 3.22Å; I229-R231 VanDerWaalsContact C-N 3.27Å; I229-R231 PolarHBondContact O-N 3.06Å
230	K	38.1	Very low	44.2	Very low	186 Å²	186	135.7 Å²	135.7	81%	0.809	72%	0.717	S	S	*	*			trans	-54.3	98.8	166.1	-78.6	-176.5	176.7	179.9	0	106.4	S228 R232	S228-K230 PolarHBondContact O-N 3.46Å; K230-R232 VanDerWaalsContact C-N 3.28Å; K230-R232 PolarHBondContact O-N 3.38Å
231	R	37	Very low	45.5	Very low	229 Å²	229	134.8 Å²	134.8	86%	0.864	71%	0.707	S	S	*	*			trans	-55	98.9	162.8	-80.1	179.5	172.9	162.7	-2.3	106	I229 T233	I229-R231 VanDerWaalsContact C-N 3.27Å; I229-R231 PolarHBondContact O-N 3.06Å; R231-T233 VanDerWaalsContact C-N 3.25Å; R231-T233 PolarHBondContact O-N 3.25Å; R231-T233 VanDerWaalsContact O-N 3.13Å
232	R	41.4	Very low	47.2	Very low	228 Å²	228	129.3 Å²	129.3	86%	0.86	69%	0.685	S	S	*	*			trans	-74.5	93.9	158.2	-73.6	-174.6	178.6	177.7	-0	104.8	K230 I234	K230-R232 VanDerWaalsContact C-N 3.28Å; K230-R232 PolarHBondContact O-N 3.38Å; R232-I234 PolarHBondContact O-N 2.78Å
233	T	41.2	Very low	48.7	Very low	99 Å²	99	126.7 Å²	126.7	61%	0.607	67%	0.671	S	S	*	*			trans	-58.3	117.4	158.8	32.9	0	0	0	0	106.3	R231 D235	R231-T233 VanDerWaalsContact C-N 3.25Å; R231-T233 PolarHBondContact O-N 3.25Å; R231-T233 VanDerWaalsContact O-N 3.13Å; T233-D235 VanDerWaalsContact CB-OD1 3.23Å; T233-D235 WeakPolarHBondContact CB-OD1 3.43Å; T233-D235 PolarHBondContact O-N 2.75Å; T233-D235 PolarHBondContact OG1-OD1 2.89Å
234	I	50.8	Low	49.9	Very low	110 Å²	110	125.5 Å²	125.5	56%	0.564	66%	0.663	S	S	*	*			trans	-77.7	89	169.5	-57.9	172.3	0	0	0	104.3	R232 S236 L237	R232-I234 PolarHBondContact O-N 2.78Å; I234-S236 PolarHBondContact O-N 2.83Å; I234-L237 HydrophobicContact CB-CD1 4.11Å; I234-L237 HydrophobicContact CD1-CD1 4.2Å; I234-L237 HydrophobicContact CG2-CD1 3.73Å; I234-L237 HydrophobicContact CG2-CG 4.21Å; I234-L237 PolarHBondContact O-N 3.43Å
235	D	48.9	Very low	51.4	Low	140 Å²	140	128.1 Å²	128.1	75%	0.749	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	10.2	-171.7	-71.1	-30.2	0	0	0	114.3	T233	T233-D235 VanDerWaalsContact CB-OD1 3.23Å; T233-D235 WeakPolarHBondContact CB-OD1 3.43Å; T233-D235 PolarHBondContact O-N 2.75Å; T233-D235 PolarHBondContact OG1-OD1 2.89Å
236	S	50	Low	52.8	Low	100 Å²	100	121.6 Å²	121.6	70%	0.699	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	5	-176.2	46.6	0	0	0	0	114.8	I234 L238	I234-S236 PolarHBondContact O-N 2.83Å; S236-L238 PolarHBondContact O-N 2.8Å
237	L	53.8	Low	54.2	Low	98 Å²	98	120.1 Å²	120.1	51%	0.513	62%	0.624	S	S	.	*			trans	-99.2	66.6	176.1	-87.7	161.8	0	0	0	110.4	I234 D239 V240	I234-L237 HydrophobicContact CB-CD1 4.11Å; I234-L237 HydrophobicContact CD1-CD1 4.2Å; I234-L237 HydrophobicContact CG2-CD1 3.73Å; I234-L237 HydrophobicContact CG2-CG 4.21Å; I234-L237 PolarHBondContact O-N 3.43Å; L237-D239 PolarHBondContact O-N 2.86Å; L237-V240 HydrophobicContact CB-CB 4.5Å; L237-V240 HydrophobicContact CB-CG2 3.57Å; L237-V240 HydrophobicContact CD1-CG2 4.16Å; L237-V240 HydrophobicContact CD2-CG2 3.35Å; L237-V240 HydrophobicContact CG-CG2 3.85Å
238	L	54.4	Low	55.7	Low	163 Å²	163	124.9 Å²	124.9	85%	0.853	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-13.4	-179.5	-76.1	166.3	0	0	0	113.7	S236	S236-L238 PolarHBondContact O-N 2.8Å
239	D	59	Low	57.4	Low	163 Å²	163	128.4 Å²	128.4	87%	0.872	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	40.2	-179.1	-71.7	-31.3	0	0	0	113.4	L237	L237-D239 PolarHBondContact O-N 2.86Å
240	V	58.9	Low	58.8	Low	57 Å²	57	122.5 Å²	122.5	35%	0.345	60%	0.603	S	S	.	*			trans	-101.3	117.1	174.8	178.2	0	0	0	0	111.5	L237 Y242	L237-V240 HydrophobicContact CB-CB 4.5Å; L237-V240 HydrophobicContact CB-CG2 3.57Å; L237-V240 HydrophobicContact CD1-CG2 4.16Å; L237-V240 HydrophobicContact CD2-CG2 3.35Å; L237-V240 HydrophobicContact CG-CG2 3.85Å; V240-Y242 HydrophobicContact CG1-CD1 3.97Å; V240-Y242 HydrophobicContact CG1-CE1 3.65Å; V240-Y242 HydrophobicContact CG1-CE2 4.3Å; V240-Y242 HydrophobicContact CG1-CG 4.43Å
241	T	64.3	Low	60.5	Low	98 Å²	98	119.2 Å²	119.2	60%	0.601	59%	0.593	S	S	*	*			trans	-92.6	114.4	166	-59.2	0	0	0	0	108.8	T253	T241-T253 HydrophobicContact CG2-CG2 3.36Å
242	Y	68.7	Low	62.5	Low	71 Å²	71	110.5 Å²	110.5	28%	0.278	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.6	148.1	172.3	-52.4	-80.3	0	0	0	109.5	V240 T253 N254 G257	V240-Y242 HydrophobicContact CG1-CD1 3.97Å; V240-Y242 HydrophobicContact CG1-CE1 3.65Å; V240-Y242 HydrophobicContact CG1-CE2 4.3Å; V240-Y242 HydrophobicContact CG1-CG 4.43Å; Y242-T253 CarbonylContact O-C 3.57Å; Y242-T253 VanDerWaalsContact O-CA 3.27Å; Y242-T253 WeakPolarHBondContact O-CA 3.43Å; Y242-N254 VanDerWaalsContact CB-O 3.27Å; Y242-N254 WeakPolarHBondContact CB-O 3.47Å; Y242-N254 PolarHBondContact N-O 2.77Å; Y242-N254 PolarHBondContact O-N 3.44Å; Y242-G257 WeakPolarHBondContact CD1-O 3.48Å; Y242-G257 VanDerWaalsContact CG-O 3.25Å; Y242-G257 VanDerWaalsContact CZ-CA 3.46Å
243	L	72.5	Confident	64.1	Low	87 Å²	87	104.5 Å²	104.5	46%	0.455	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	178.7	-65	169.2	0	0	0	108.7	L251 I252 T253 V259	L243-L251 HydrophobicContact CB-CD2 3.91Å; L243-L251 HydrophobicContact CD1-CD2 3.8Å; L243-L251 HydrophobicContact CD2-CD2 4.39Å; L243-L251 HydrophobicContact CG-CD2 4.25Å; L243-I252 CarbonylContact C-O 3.05Å; L243-I252 WeakPolarHBondContact CA-O 2.96Å; L243-T253 HydrophobicContact CD2-CG2 3.99Å; L243-V259 WeakPolarHBondContact O-CB 3.42Å; L243-V259 VanDerWaalsContact O-CG1 3.23Å; L243-V259 WeakPolarHBondContact O-CG1 3.5Å; L243-V259 WeakPolarHBondContact O-CG2 3.33Å
244	T	69.4	Low	65.4	Low	47 Å²	47	101.7 Å²	101.7	29%	0.288	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	154.1	172.7	-168.7	0	0	0	0	110.3	I252 N254	T244-I252 HydrophobicContact CG2-CD1 3.89Å; T244-I252 HydrophobicContact CG2-CG1 3.49Å; T244-I252 VanDerWaalsContact CG2-CG1 3.49Å; T244-I252 PolarHBondContact N-O 3.29Å; T244-I252 PolarHBondContact O-N 2.7Å; T244-N254 HydrophobicContact CG2-CB 3.93Å
245	Y	70.8	Confident	66.5	Low	158 Å²	158	104.2 Å²	104.2	62%	0.62	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.3	176.2	-177.2	-98.1	0	0	0	110.1	L251	Y245-L251 HydrophobicContact CD2-CD1 4.45Å
246	D	71	Confident	67.2	Low	42 Å²	42	106.1 Å²	106.1	23%	0.225	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.1	170.2	180	-52.8	0	0	0	108.5	H248 R249 G250 I252	D246-H248 PolarHBondContact O-N 3.12Å; D246-H248 VanDerWaalsContact O-N 3.08Å; D246-H248 WeakPolarHBondContact OD1-CA 3.4Å; D246-H248 WeakPolarHBondContact OD1-CB 3.42Å; D246-H248 PolarHBondContact OD1-N 3.44Å; D246-R249 HydrophobicContact CB-CB 3.98Å; D246-R249 HydrophobicContact CB-CG 4.49Å; D246-R249 PolarHBondContact O-N 2.77Å; D246-R249 PolarHBondContact OD1-N 2.72Å; D246-G250 PolarHBondContact N-O 2.85Å; D246-G250 WeakPolarHBondContact O-CA 3.44Å; D246-G250 PolarHBondContact O-N 3.43Å; D246-I252 HydrophobicContact CB-CD1 3.8Å; D246-I252 HydrophobicContact CB-CG1 4.11Å; D246-I252 HydrophobicContact CB-CG2 4.35Å
247	P	68	Low	67.8	Low	100 Å²	100	102 Å²	102	65%	0.649	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.2	-178.8	-25.7	34.1	0	0	0	115.5
248	H	70.3	Confident	67.7	Low	180 Å²	180	101.8 Å²	101.8	83%	0.833	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-29.5	-179.2	-59.8	-68	0	0	0	112.9	D246	D246-H248 PolarHBondContact O-N 3.12Å; D246-H248 VanDerWaalsContact O-N 3.08Å; D246-H248 WeakPolarHBondContact OD1-CA 3.4Å; D246-H248 WeakPolarHBondContact OD1-CB 3.42Å; D246-H248 PolarHBondContact OD1-N 3.44Å
249	R	73.3	Confident	67.7	Low	193 Å²	193	96.7 Å²	96.7	73%	0.728	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-10.4	-174.7	-51.8	-178.3	82	-169.6	5.5	114	D246 I252	D246-R249 HydrophobicContact CB-CB 3.98Å; D246-R249 HydrophobicContact CB-CG 4.49Å; D246-R249 PolarHBondContact O-N 2.77Å; D246-R249 PolarHBondContact OD1-N 2.72Å; R249-I252 HydrophobicContact CB-CG2 3.79Å
250	G	73.1	Confident	67.5	Low	24 Å²	24	97.2 Å²	97.2	25%	0.247	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-147.9	-174.3	0	0	0	0	0	112.4	D246 I252	D246-G250 PolarHBondContact N-O 2.85Å; D246-G250 WeakPolarHBondContact O-CA 3.44Å; D246-G250 PolarHBondContact O-N 3.43Å; G250-I252 PolarHBondContact O-N 3.05Å
251	L	73	Confident	67.4	Low	116 Å²	116	101 Å²	101	61%	0.607	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.1	174.8	-107.5	97.2	0	0	0	110.3	L243 Y245	L243-L251 HydrophobicContact CB-CD2 3.91Å; L243-L251 HydrophobicContact CD1-CD2 3.8Å; L243-L251 HydrophobicContact CD2-CD2 4.39Å; L243-L251 HydrophobicContact CG-CD2 4.25Å; Y245-L251 HydrophobicContact CD2-CD1 4.45Å
252	I	79.2	Confident	66.8	Low	46 Å²	46	106.3 Å²	106.3	24%	0.236	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.6	176	62	169.7	0	0	0	110.6	L243 T244 D246 R249 G250	L243-I252 CarbonylContact C-O 3.05Å; L243-I252 WeakPolarHBondContact CA-O 2.96Å; T244-I252 HydrophobicContact CG2-CD1 3.89Å; T244-I252 HydrophobicContact CG2-CG1 3.49Å; T244-I252 VanDerWaalsContact CG2-CG1 3.49Å; T244-I252 PolarHBondContact N-O 3.29Å; T244-I252 PolarHBondContact O-N 2.7Å; D246-I252 HydrophobicContact CB-CD1 3.8Å; D246-I252 HydrophobicContact CB-CG1 4.11Å; D246-I252 HydrophobicContact CB-CG2 4.35Å; R249-I252 HydrophobicContact CB-CG2 3.79Å; G250-I252 PolarHBondContact O-N 3.05Å
253	T	75.7	Confident	66	Low	102 Å²	102	110.3 Å²	110.3	63%	0.626	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	139	176	56.4	0	0	0	0	110.7	T241 Y242 L243	T241-T253 HydrophobicContact CG2-CG2 3.36Å; Y242-T253 CarbonylContact O-C 3.57Å; Y242-T253 VanDerWaalsContact O-CA 3.27Å; Y242-T253 WeakPolarHBondContact O-CA 3.43Å; L243-T253 HydrophobicContact CD2-CG2 3.99Å
254	N	68.4	Low	65	Low	40 Å²	40	115.5 Å²	115.5	21%	0.214	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	146.7	177.4	-174.2	3.3	0	0	0	108.6	Y242 T244 Y256	Y242-N254 VanDerWaalsContact CB-O 3.27Å; Y242-N254 WeakPolarHBondContact CB-O 3.47Å; Y242-N254 PolarHBondContact N-O 2.77Å; Y242-N254 PolarHBondContact O-N 3.44Å; T244-N254 HydrophobicContact CG2-CB 3.93Å; N254-Y256 WeakPolarHBondContact OD1-CB 3.23Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.38Å; N254-Y256 PolarHBondContact OD1-N 3.4Å
255	K	73.1	Confident	64	Low	163 Å²	163	124.1 Å²	124.1	71%	0.709	58%	0.579	S	S	*	*	S	Bend	trans	-102.2	-3.2	175.3	53.6	179.6	169.9	174.1	0	113.2
256	Y	64.9	Low	63	Low	180 Å²	180	120.9 Å²	120.9	71%	0.706	58%	0.577	S	S	*	*	S	Bend	trans	-101.3	25.8	-165.3	-64.3	-67.9	0	0	0	115.9	N254	N254-Y256 WeakPolarHBondContact OD1-CB 3.23Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.38Å; N254-Y256 PolarHBondContact OD1-N 3.4Å
257	G	60.9	Low	61.6	Low	14 Å²	14	128.3 Å²	128.3	14%	0.144	61%	0.607	C	S	.	*	S	Bend	trans	92.4	-174.5	171.7	0	0	0	0	0	114.5	Y242 V259	Y242-G257 WeakPolarHBondContact CD1-O 3.48Å; Y242-G257 VanDerWaalsContact CG-O 3.25Å; Y242-G257 VanDerWaalsContact CZ-CA 3.46Å; G257-V259 PolarHBondContact O-N 2.89Å
258	P	53.1	Low	60.4	Low	93 Å²	93	129 Å²	129	60%	0.604	61%	0.614	S	S	*	*			trans	-59.1	124	-162	23.3	-33.2	0	0	0	111.5
259	V	54.2	Low	59.1	Low	57 Å²	57	128.7 Å²	128.7	35%	0.345	61%	0.614	S	S	.	*			trans	-90.2	122	170.7	178.9	0	0	0	0	107.9	L243 G257 L261	L243-V259 WeakPolarHBondContact O-CB 3.42Å; L243-V259 VanDerWaalsContact O-CG1 3.23Å; L243-V259 WeakPolarHBondContact O-CG1 3.5Å; L243-V259 WeakPolarHBondContact O-CG2 3.33Å; G257-V259 PolarHBondContact O-N 2.89Å; V259-L261 PolarHBondContact O-N 2.84Å
260	Y	55.2	Low	57.3	Low	173 Å²	173	123.1 Å²	123.1	68%	0.678	62%	0.616	S	S	*	*			trans	-79.9	107.6	172.6	-63.2	-87.1	0	0	0	108.5
261	L	56.6	Low	55.6	Low	136 Å²	136	127 Å²	127	71%	0.712	64%	0.635	S	S	*	*			trans	-86.2	107.9	169.4	-155.9	91.6	0	0	0	108.3	V259 L263	V259-L261 PolarHBondContact O-N 2.84Å; L261-L263 HydrophobicContact CD2-CD1 4.11Å; L261-L263 HydrophobicContact CD2-CG 4.46Å; L261-L263 PolarHBondContact O-N 2.79Å
262	Y	51.6	Low	53.8	Low	210 Å²	210	129.8 Å²	129.8	82%	0.824	65%	0.649	S	S	*	*			trans	-84.3	112	172.6	-71.9	-88.7	0	0	0	109.5
263	L	50.9	Low	51.6	Low	155 Å²	155	131.2 Å²	131.2	81%	0.812	68%	0.676	S	S	*	*			trans	-92.5	107.2	167.5	-89.3	140	0	0	0	108.9	L261	L261-L263 HydrophobicContact CD2-CD1 4.11Å; L261-L263 HydrophobicContact CD2-CG 4.46Å; L261-L263 PolarHBondContact O-N 2.79Å
264	Y	52.3	Low	49.5	Very low	197 Å²	197	133.6 Å²	133.6	77%	0.773	69%	0.685	S	S	*	*			trans	-83.9	115.3	168.3	178.8	-100	0	0	0	109.4	P266	Y264-P266 HydrophobicContact CD1-CG 4.24Å; Y264-P266 HydrophobicContact CE1-CB 4.1Å; Y264-P266 HydrophobicContact CE1-CG 3.88Å
265	R	48.5	Very low	47.8	Very low	228 Å²	228	138.8 Å²	138.8	86%	0.86	71%	0.712	S	S	*	*			trans	-100.5	114.9	168.5	-152.6	-179.9	-160	-177.1	5.6	108	K267	R265-K267 PolarHBondContact O-N 3.26Å
266	P	48.9	Very low	45.9	Very low	90 Å²	90	136 Å²	136	58%	0.584	71%	0.713	S	S	*	*			trans	-57.4	130.3	173.9	-16.4	26.6	0	0	0	108.9	Y264 S268	Y264-P266 HydrophobicContact CD1-CG 4.24Å; Y264-P266 HydrophobicContact CE1-CB 4.1Å; Y264-P266 HydrophobicContact CE1-CG 3.88Å; P266-S268 PolarHBondContact O-N 3.13Å; P266-S268 VanDerWaalsContact O-N 3.13Å
267	K	42	Very low	44.5	Very low	197 Å²	197	133.8 Å²	133.8	86%	0.857	71%	0.712	S	S	*	*			trans	-62.3	117	168.5	-73.2	-177.2	177.6	179.2	0	106.7	R265 Q269	R265-K267 PolarHBondContact O-N 3.26Å; K267-Q269 PolarHBondContact O-N 3.05Å
268	S	44.1	Very low	43.2	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	75%	0.751	S	S	*	*			trans	-58.9	105.4	167.7	55.8	0	0	0	0	107.1	P266 G270	P266-S268 PolarHBondContact O-N 3.13Å; P266-S268 VanDerWaalsContact O-N 3.13Å; S268-G270 PolarHBondContact O-N 2.83Å
269	Q	41.1	Very low	42.5	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	76%	0.756	S	S	*	*			trans	-61.9	106.9	168.2	-77.8	-172.6	-15.6	0	0	106.7	K267 T271	K267-Q269 PolarHBondContact O-N 3.05Å; Q269-T271 VanDerWaalsContact C-N 3.3Å; Q269-T271 PolarHBondContact O-N 3.42Å
270	G	35.9	Very low	41.7	Very low	76 Å²	76	150.4 Å²	150.4	78%	0.784	78%	0.782	S	S	*	*			trans	-68.9	91.9	171.1	0	0	0	0	0	108.8	S268	S268-G270 PolarHBondContact O-N 2.83Å
271	T	38.4	Very low	40.7	Very low	104 Å²	104	153.5 Å²	153.5	64%	0.638	79%	0.793	S	S	*	*			trans	-157.3	112.7	159.7	30.6	0	0	0	0	108	Q269	Q269-T271 VanDerWaalsContact C-N 3.3Å; Q269-T271 PolarHBondContact O-N 3.42Å
272	L	33.9	Very low	39.7	Very low	175 Å²	175	158.5 Å²	158.5	92%	0.916	80%	0.802	S	S	*	*			trans	50.8	120.4	145.1	-67.4	129.1	0	0	0	118.5
273	G	33.2	Very low	38.9	Very low	76 Å²	76	152.9 Å²	152.9	78%	0.784	79%	0.794	S	S	*	*			trans	114.8	128.6	147.2	0	0	0	0	0	113.9
274	N	32.2	Very low	38.2	Very low	153 Å²	153	152 Å²	152	82%	0.818	80%	0.795	S	S	*	*			trans	-49.7	151.2	175.4	-72	-34.4	0	0	0	113.6
275	N	33.6	Very low	37.5	Very low	149 Å²	149	153.1 Å²	153.1	80%	0.797	80%	0.799	S	S	*	*			trans	97.3	134.5	161.8	-59.3	-23.8	0	0	0	116.8
276	S	33.6	Very low	36.9	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	80%	0.797	S	S	*	*			trans	85.9	137.8	145.6	124.4	0	0	0	0	114.4
277	I	33.5	Very low	36.4	Very low	134 Å²	134	154.5 Å²	154.5	69%	0.687	81%	0.812	S	S	*	*			cis	-159.3	113.9	1.3	-88.8	141.8	0	0	0	103.7
278	Y	34.5	Very low	36.2	Very low	244 Å²	244	148.1 Å²	148.1	96%	0.957	80%	0.802	S	S	*	*			trans	-159.3	79.9	153.6	-91.2	-74.1	0	0	0	106.1
279	S	38.1	Very low	36	Very low	102 Å²	102	149.7 Å²	149.7	71%	0.713	80%	0.802	S	S	*	*			trans	-101.8	105.1	165.9	58.9	0	0	0	0	107.6	R281	S279-R281 PolarHBondContact O-N 2.62Å
280	D	37.2	Very low	36.1	Very low	167 Å²	167	148.1 Å²	148.1	89%	0.893	80%	0.799	S	S	*	*			trans	-63.2	101.5	166.9	-115.3	-28.7	0	0	0	108.3	R282	D280-R282 PolarHBondContact O-N 3.14Å
281	R	34.1	Very low	36.5	Very low	239 Å²	239	150.2 Å²	150.2	90%	0.902	79%	0.792	S	S	*	*			trans	-78.5	97.8	165.2	-86.2	-176.3	172.6	179.4	-1.8	107.5	S279	S279-R281 PolarHBondContact O-N 2.62Å
282	R	35.6	Very low	37	Very low	240 Å²	240	152.4 Å²	152.4	91%	0.906	80%	0.795	S	S	*	*			trans	-102.1	109.8	151.9	-105.3	-176.2	-177.6	-161.9	0.9	109.1	D280 T284	D280-R282 PolarHBondContact O-N 3.14Å; R282-T284 PolarHBondContact O-N 2.97Å
283	S	35.1	Very low	37.7	Very low	93 Å²	93	151.6 Å²	151.6	65%	0.65	79%	0.786	S	S	*	*			trans	-61.9	119.5	173.6	55.1	0	0	0	0	110.8
284	T	37.4	Very low	38.3	Very low	137 Å²	137	157.8 Å²	157.8	84%	0.84	79%	0.786	S	S	*	*			trans	-77.4	116.2	158.9	36.9	0	0	0	0	108.6	R282 S286	R282-T284 PolarHBondContact O-N 2.97Å; T284-S286 PolarHBondContact O-N 3.46Å
285	Y	36.5	Very low	38.9	Very low	219 Å²	219	157.1 Å²	157.1	86%	0.859	78%	0.782	S	S	*	*			trans	-71.7	114.8	162.9	-77.9	-86.6	0	0	0	107.9
286	S	35.9	Very low	39.3	Very low	117 Å²	117	155.4 Å²	155.4	82%	0.818	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-99.4	121	170.4	-164.8	0	0	0	0	107.9	T284	T284-S286 PolarHBondContact O-N 3.46Å
287	Y	39.7	Very low	40.2	Very low	231 Å²	231	155 Å²	155	91%	0.906	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-79.8	127.6	163.7	-102.9	-91.7	0	0	0	108.4
288	G	36.8	Very low	40.7	Very low	62 Å²	62	158.9 Å²	158.9	64%	0.639	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-85.3	154.2	169.9	0	0	0	0	0	112.1
289	N	39	Very low	41.1	Very low	148 Å²	148	158.1 Å²	158.1	79%	0.791	78%	0.78	S	S	*	*			trans	-173.4	112.1	138.7	-95.7	-1.4	0	0	0	104.1
290	D	44.1	Very low	42	Very low	141 Å²	141	168 Å²	168	75%	0.754	80%	0.803	S	S	*	*				60.7	127.5	87.5	-70.8	-6.8	0	0	0	110
291	D	45.4	Very low	42.2	Very low	121 Å²	121	168.1 Å²	168.1	65%	0.647	80%	0.799	S	S	*	*			cis	-173.5	173.5	-0.5	-147.9	-33.7	0	0	0	105.3
292	H	48.1	Very low	42.6	Very low	150 Å²	150	164.3 Å²	164.3	69%	0.694	79%	0.794	S	S	*	*			trans	87.8	94.3	155.4	-58.6	-12.1	0	0	0	121.3
293	H	49	Very low	43	Very low	157 Å²	157	160.1 Å²	160.1	73%	0.727	79%	0.787	S	S	*	*				53.2	115.5	111.2	-79.4	-47.5	0	0	0	122.9
294	R	45.9	Very low	43.5	Very low	207 Å²	207	164.1 Å²	164.1	78%	0.781	80%	0.795	S	S	*	*				85.6	123.6	122.6	-82.7	-179.6	171.1	178.6	-0.6	120.9
295	N	43.9	Very low	43.9	Very low	138 Å²	138	165.8 Å²	165.8	74%	0.738	79%	0.793	S	S	*	*			trans	79.5	94	137.7	-65.3	-4.5	0	0	0	119.8
296	S	42.6	Very low	44.4	Very low	113 Å²	113	162.2 Å²	162.2	79%	0.79	79%	0.788	S	S	*	*				12	160.9	112.7	-105.2	0	0	0	0	120
297	P	52.4	Low	45	Very low	95 Å²	95	165.4 Å²	165.4	62%	0.617	79%	0.786	S	S	*	*				-137.4	-174.7	-61.3	28.3	-3.9	0	0	0	112.5
298	Y	43.2	Very low	45.4	Very low	216 Å²	216	160.4 Å²	160.4	85%	0.847	78%	0.777	S	S	*	*			trans	92.1	138.1	158.7	-71.3	-74.4	0	0	0	122.4
299	R	44	Very low	46.1	Very low	228 Å²	228	168.6 Å²	168.6	86%	0.86	79%	0.788	S	S	*	*			trans	82.7	100.9	160.8	-70.3	178.3	176.8	-173.9	-1.3	116.9
300	Y	55.8	Low	46.7	Very low	309 Å²	309	170.5 Å²	170.5	100%	1.212	79%	0.788	S	S	*	*				-148.9	0	79.4	-98.5	-89.8	0	0	0	110

Retrieved 300 of 300 residues in 146.4 ms (Link to these results)

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