A0A077YZ31_TRITR Loading...

NNMT PNMT TEMT domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 275 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	32.7	Very low	32.9	Very low	238 Å²	238	141.1 Å²	141.1	100%	1.172	79%	0.793	S	S	*	*				0	88.1	0	-165.1	-174.9	-83	0	0	106.3	G3	M1-G3 PolarHBondContact O-N 3.39Å
2	F	33	Very low	33.1	Very low	217 Å²	217	142.4 Å²	142.4	95%	0.952	78%	0.783	S	S	*	*			trans	-83.7	100.7	-175.2	-71.7	-80.3	0	0	0	108.8	Q4	F2-Q4 PolarHBondContact O-N 3.33Å
3	G	30	Very low	33.1	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	77%	0.774	S	S	*	*			trans	-72.1	115.9	172.7	0	0	0	0	0	110.2	M1 S5	M1-G3 PolarHBondContact O-N 3.39Å; G3-S5 PolarHBondContact O-N 3.35Å
4	Q	27.9	Very low	33.4	Very low	195 Å²	195	139 Å²	139	91%	0.911	76%	0.756	S	S	*	*			trans	-67.1	105.9	163.9	-76.1	175.1	-15.1	0	0	108.2	F2 A6	F2-Q4 PolarHBondContact O-N 3.33Å; Q4-A6 PolarHBondContact O-N 2.75Å
5	S	34.3	Very low	33.9	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	74%	0.737	S	S	*	*			trans	-77.4	103.5	166.1	156.8	0	0	0	0	108	G3 K7	G3-S5 PolarHBondContact O-N 3.35Å; S5-K7 PolarHBondContact O-N 2.77Å
6	A	29.5	Very low	34.1	Very low	99 Å²	99	134.4 Å²	134.4	82%	0.818	73%	0.731	S	S	*	*			trans	-59.5	100.9	163.1	0	0	0	0	0	108.8	Q4	Q4-A6 PolarHBondContact O-N 2.75Å
7	K	34.9	Very low	34.3	Very low	190 Å²	190	135 Å²	135	83%	0.826	73%	0.728	S	S	*	*			trans	-83.9	112.7	169.8	-90.2	-174.6	173.4	-176	0	108.6	S5	S5-K7 PolarHBondContact O-N 2.77Å
8	N	32	Very low	35	Very low	130 Å²	130	131.6 Å²	131.6	70%	0.695	72%	0.716	S	S	*	*			trans	-22.6	120	167.9	-82.4	-20.1	0	0	0	115.8	G10	N8-G10 PolarHBondContact O-N 3.31Å; N8-G10 VanDerWaalsContact O-N 3.15Å
9	D	35.9	Very low	36	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	4	158.5	-78.5	-39.5	0	0	0	113.2
10	G	35	Very low	36.8	Very low	47 Å²	47	132.4 Å²	132.4	49%	0.485	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-27.4	179.1	0	0	0	0	0	115	N8 T14	N8-G10 PolarHBondContact O-N 3.31Å; N8-G10 VanDerWaalsContact O-N 3.15Å; G10-T14 PolarHBondContact O-OG1 3.13Å
11	D	36.6	Very low	38	Very low	122 Å²	122	131.4 Å²	131.4	65%	0.652	71%	0.708	S	S	*	*	H	α-helix	trans	-87.6	-17	-175.1	-82.3	-24.8	0	0	0	114	T14	D11-T14 PolarHBondContact O-OG1 3.29Å
12	K	35.6	Very low	40.1	Very low	157 Å²	157	122.8 Å²	122.8	68%	0.683	67%	0.666	S	S	*	*	H	α-helix	trans	-79.4	-29.4	177.2	-89.1	-175.8	173.7	-177.5	0	113.5	S15 E16	K12-S15 PolarHBondContact O-OG 3.13Å; K12-S15 VanDerWaalsContact O-OG 3.04Å; K12-E16 PolarHBondContact O-N 3.48Å
13	K	33.3	Very low	42.8	Very low	151 Å²	151	119 Å²	119	66%	0.657	66%	0.656	S	S	*	*	H	α-helix	trans	-73.3	-35.4	179	-84	-175.1	173.3	-178.3	0	112.6	E16 E17	K13-E16 PolarHBondContact O-N 2.8Å; K13-E17 PolarHBondContact O-N 3.21Å; K13-E17 VanDerWaalsContact O-N 3.09Å
14	T	36.7	Very low	45.9	Very low	86 Å²	86	119.7 Å²	119.7	53%	0.528	64%	0.64	S	S	.	*	H	α-helix	trans	-70.8	-32	178.9	29.4	0	0	0	0	112.9	G10 D11 S18	G10-T14 PolarHBondContact O-OG1 3.13Å; D11-T14 PolarHBondContact O-OG1 3.29Å; T14-S18 PolarHBondContact O-N 2.84Å
15	S	41.5	Very low	49.1	Very low	67 Å²	67	111.3 Å²	111.3	47%	0.469	60%	0.601	S	S	.	*	H	α-helix	trans	-72	-39.9	173.9	55.2	0	0	0	0	112.8	K12 S18	K12-S15 PolarHBondContact O-OG 3.13Å; K12-S15 VanDerWaalsContact O-OG 3.04Å; S15-S18 PolarHBondContact O-OG 3Å
16	E	37.1	Very low	52	Low	138 Å²	138	108.4 Å²	108.4	65%	0.645	58%	0.579	S	S	*	*	H	α-helix	trans	-75.1	-29.1	-179.5	-74.7	-179.1	175.2	0	0	113.5	K12 K13	K12-E16 PolarHBondContact O-N 3.48Å; K13-E16 PolarHBondContact O-N 2.8Å
17	E	37.5	Very low	55.1	Low	144 Å²	144	105.6 Å²	105.6	67%	0.673	55%	0.548	S	S	*	.	H	α-helix	trans	-74.9	-31.1	175.2	-80.3	-179.5	166.9	0	0	113	K13 D19	K13-E17 PolarHBondContact O-N 3.21Å; K13-E17 VanDerWaalsContact O-N 3.09Å; E17-D19 PolarHBondContact O-N 3.02Å
18	S	47.1	Very low	57.9	Low	73 Å²	73	101.3 Å²	101.3	51%	0.51	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-25.2	175.2	74	0	0	0	0	113.1	T14 S15 K20	T14-S18 PolarHBondContact O-N 2.84Å; S15-S18 PolarHBondContact O-OG 3Å; S18-K20 VanDerWaalsContact C-N 3.34Å; S18-K20 PolarHBondContact O-N 2.82Å
19	D	52.7	Low	61	Low	89 Å²	89	97 Å²	97	48%	0.476	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.2	-172.7	-151.3	6.5	0	0	0	113.4	E17 R231	E17-D19 PolarHBondContact O-N 3.02Å; D19-R231 IonicContact OD1-CZ 2.76Å; D19-R231 IonicContact OD1-NH1 3.32Å; D19-R231 PolarHBondContact OD1-NH1 3.22Å; D19-R231 IonicContact OD1-NH2 3.11Å; D19-R231 PolarHBondContact OD1-NH2 3.08Å
20	K	53.1	Low	63.9	Low	190 Å²	190	91.1 Å²	91.1	83%	0.826	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	2	-176	-85	-178.2	177.2	172.8	0	115.6	S18	S18-K20 VanDerWaalsContact C-N 3.34Å; S18-K20 PolarHBondContact O-N 2.82Å
21	T	62.4	Low	66.8	Low	112 Å²	112	93.5 Å²	93.5	69%	0.687	48%	0.476	S	S	*	.	S	Bend	trans	-130.8	5.1	-171	54	0	0	0	0	116	D23	T21-D23 PolarHBondContact O-N 3.49Å
22	M	76.4	Confident	69.6	Low	57 Å²	57	95 Å²	95	28%	0.281	47%	0.473	S	S	.	.			trans	-83.5	116.3	175.6	-64	-176.2	79.2	0	0	110.4	M24 G229	M22-M24 PolarHBondContact O-N 2.78Å; M22-G229 WeakPolarHBondContact CE-O 3.4Å
23	D	89.3	Confident	72.5	Confident	138 Å²	138	87.6 Å²	87.6	74%	0.738	44%	0.441	S	S	*	.			trans	-55.8	133.5	171.2	-69.2	-36.7	0	0	0	110.1	T21 L25	T21-D23 PolarHBondContact O-N 3.49Å; D23-L25 PolarHBondContact O-N 3.23Å
24	M	94.8	Very high	75.6	Confident	90 Å²	90	81.3 Å²	81.3	44%	0.443	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	108	175.2	-175.9	70.5	72.1	0	0	108.8	M22 W224 R231 S233	M22-M24 PolarHBondContact O-N 2.78Å; M24-W224 HydrophobicContact CE-CB 3.82Å; M24-W224 HydrophobicContact CE-CG 4.21Å; M24-W224 HydrophobicContact SD-CB 3.94Å; M24-R231 HydrophobicContact CE-CG 3.97Å; M24-R231 HydrophobicContact SD-CG 3.69Å; M24-S233 PolarHBondContact SD-N 2.94Å; M24-S233 VanDerWaalsContact SD-N 3.43Å
25	L	96.6	Very high	78.5	Confident	19 Å²	19	80.6 Å²	80.6	10%	0.099	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	156	175.5	-58.4	172	0	0	0	110.4	D23 D29 W32 A33 R230 R231 F232 S233	D23-L25 PolarHBondContact O-N 3.23Å; L25-D29 HydrophobicContact CB-CB 4.08Å; L25-D29 HydrophobicContact CD2-CB 4.06Å; L25-W32 HydrophobicContact CD2-CH2 4.04Å; L25-W32 HydrophobicContact CD2-CZ2 3.76Å; L25-A33 HydrophobicContact CD1-CB 3.68Å; L25-R230 HydrophobicContact CD1-CB 3.94Å; L25-R230 HydrophobicContact CD1-CG 4.13Å; L25-R231 VanDerWaalsContact CB-O 3.32Å; L25-R231 WeakPolarHBondContact CB-O 3.35Å; L25-R231 PolarHBondContact N-O 2.62Å; L25-F232 HydrophobicContact CB-CD1 3.55Å; L25-F232 HydrophobicContact CB-CE1 3.86Å; L25-F232 HydrophobicContact CB-CG 4.28Å; L25-F232 HydrophobicContact CD1-CD1 4.08Å; L25-F232 HydrophobicContact CD1-CE1 3.61Å; L25-F232 HydrophobicContact CD1-CE2 4.49Å; L25-F232 HydrophobicContact CD1-CZ 3.84Å; L25-F232 HydrophobicContact CG-CD1 4.49Å; L25-F232 HydrophobicContact CG-CE1 4.42Å; L25-F232 CarbonylContact O-C 3.6Å; L25-F232 VanDerWaalsContact O-CA 3.3Å; L25-F232 WeakPolarHBondContact O-CA 3.2Å; L25-S233 PolarHBondContact O-N 3.47Å; L25-S233 PolarHBondContact O-OG 2.72Å
26	T	94.7	Very high	81.1	Confident	34 Å²	34	78 Å²	78	21%	0.209	39%	0.388	C	S	.	.			trans	-121.8	-179.9	177.6	72.2	0	0	0	0	110.6	D28 D29	T26-D28 PolarHBondContact O-N 2.9Å; T26-D28 VanDerWaalsContact O-N 3.12Å; T26-D28 PolarHBondContact OG1-N 2.85Å; T26-D29 PolarHBondContact N-OD2 2.58Å; T26-D29 WeakPolarHBondContact O-CB 3.49Å; T26-D29 PolarHBondContact O-N 3.04Å; T26-D29 PolarHBondContact OG1-OD2 3.13Å
27	R	93.4	Very high	84	Confident	40 Å²	40	74.6 Å²	74.6	15%	0.151	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-55.6	-27.9	173.1	77.9	-179.5	-176.3	-147.4	-7.7	113.6	D29 Y30 A190 E196	R27-D29 PolarHBondContact O-N 3.28Å; R27-Y30 HydrophobicContact CB-CD2 3.95Å; R27-Y30 HydrophobicContact CB-CE2 3.73Å; R27-Y30 WeakPolarHBondContact O-CB 3.3Å; R27-Y30 PolarHBondContact O-N 2.95Å; R27-A190 WeakPolarHBondContact CD-O 3.14Å; R27-A190 PolarHBondContact NH1-O 2.93Å; R27-E196 IonicContact CZ-OE1 2.69Å; R27-E196 IonicContact CZ-OE2 3.97Å; R27-E196 IonicContact NH1-OE1 3.51Å; R27-E196 PolarHBondContact NH1-OE1 2.97Å; R27-E196 IonicContact NH1-OE2 2.66Å; R27-E196 PolarHBondContact NH1-OE2 3.08Å; R27-E196 VanDerWaalsContact NH2-CD 3.31Å; R27-E196 IonicContact NH2-OE1 3.48Å; R27-E196 PolarHBondContact NH2-OE1 3.07Å; R27-E196 IonicContact NH2-OE2 3.41Å; R27-E196 PolarHBondContact NH2-OE2 2.77Å
28	D	95.1	Very high	86.8	Confident	100 Å²	100	68.5 Å²	68.5	54%	0.535	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-69	-18.7	-178.7	-60.5	-19	0	0	0	110.5	T26 R192	T26-D28 PolarHBondContact O-N 2.9Å; T26-D28 VanDerWaalsContact O-N 3.12Å; T26-D28 PolarHBondContact OG1-N 2.85Å; D28-R192 IonicContact OD2-CZ 2.71Å; D28-R192 IonicContact OD2-NH1 3.4Å; D28-R192 PolarHBondContact OD2-NH1 2.86Å; D28-R192 IonicContact OD2-NH2 2.67Å
29	D	96.9	Very high	89.1	Confident	40 Å²	40	66.4 Å²	66.4	21%	0.214	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-92.6	-13.7	178.5	-58.1	-66.3	0	0	0	113.5	L25 T26 R27 Q31 W32 A33	L25-D29 HydrophobicContact CB-CB 4.08Å; L25-D29 HydrophobicContact CD2-CB 4.06Å; T26-D29 PolarHBondContact N-OD2 2.58Å; T26-D29 WeakPolarHBondContact O-CB 3.49Å; T26-D29 PolarHBondContact O-N 3.04Å; T26-D29 PolarHBondContact OG1-OD2 3.13Å; R27-D29 PolarHBondContact O-N 3.28Å; D29-Q31 PolarHBondContact O-N 3.38Å; D29-Q31 VanDerWaalsContact O-N 3.1Å; D29-W32 HydrophobicContact CB-CZ2 4.19Å; D29-W32 PolarHBondContact O-N 2.84Å; D29-W32 VanDerWaalsContact O-N 3.11Å; D29-W32 PolarHBondContact O-NE1 3.11Å; D29-W32 PolarHBondContact OD1-NE1 2.91Å; D29-W32 VanDerWaalsContact OD1-NE1 3.12Å; D29-A33 HydrophobicContact CB-CB 4.14Å; D29-A33 WeakPolarHBondContact O-CB 3.48Å; D29-A33 PolarHBondContact O-N 3.47Å
30	Y	96.4	Very high	91.2	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-54	-39.2	-172.2	-74.2	-15.9	0	0	0	113.7	R27 W32 A33 F34 Q109 Y189 Y225 F232	R27-Y30 HydrophobicContact CB-CD2 3.95Å; R27-Y30 HydrophobicContact CB-CE2 3.73Å; R27-Y30 WeakPolarHBondContact O-CB 3.3Å; R27-Y30 PolarHBondContact O-N 2.95Å; Y30-W32 PolarHBondContact O-N 3.24Å; Y30-A33 PolarHBondContact O-N 3.48Å; Y30-F34 HydrophobicContact CD1-CD2 4.44Å; Y30-F34 WeakPolarHBondContact O-CB 3.23Å; Y30-F34 PolarHBondContact O-N 3Å; Y30-Q109 PolarHBondContact O-NE2 2.82Å; Y30-Y189 WeakPolarHBondContact CE2-O 3.36Å; Y30-Y189 PolarHBondContact OH-O 2.69Å; Y30-Y225 WeakPolarHBondContact CE1-OH 3.23Å; Y30-Y225 PolarHBondContact OH-OH 2.86Å; Y30-F232 AromaticContact CD1-CD1 3.75Å; Y30-F232 HydrophobicContact CD1-CD1 3.75Å; Y30-F232 AromaticContact CD1-CE1 3.81Å; Y30-F232 HydrophobicContact CD1-CE1 3.81Å; Y30-F232 HydrophobicContact CE1-CB 4.35Å; Y30-F232 AromaticContact CE1-CD1 3.46Å; Y30-F232 HydrophobicContact CE1-CD1 3.46Å; Y30-F232 VanDerWaalsContact CE1-CD1 3.46Å; Y30-F232 AromaticContact CE1-CE1 3.98Å; Y30-F232 HydrophobicContact CE1-CE1 3.98Å; Y30-F232 HydrophobicContact CE1-CG 4.1Å
31	Q	95.6	Very high	93.1	Very high	97 Å²	97	56.3 Å²	56.3	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-55.8	-39.7	-177.7	-168.9	66.2	32	0	0	112.6	D29 Q109	D29-Q31 PolarHBondContact O-N 3.38Å; D29-Q31 VanDerWaalsContact O-N 3.1Å; Q31-Q109 PolarHBondContact O-NE2 3.45Å; Q31-Q109 VanDerWaalsContact O-NE2 3.16Å
32	W	96	Very high	94.5	Very high	155 Å²	155	52.5 Å²	52.5	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-101.8	-27.9	-179.3	73.3	-94.2	0	0	0	112.9	L25 D29 Y30	L25-W32 HydrophobicContact CD2-CH2 4.04Å; L25-W32 HydrophobicContact CD2-CZ2 3.76Å; D29-W32 HydrophobicContact CB-CZ2 4.19Å; D29-W32 PolarHBondContact O-N 2.84Å; D29-W32 VanDerWaalsContact O-N 3.11Å; D29-W32 PolarHBondContact O-NE1 3.11Å; D29-W32 PolarHBondContact OD1-NE1 2.91Å; D29-W32 VanDerWaalsContact OD1-NE1 3.12Å; Y30-W32 PolarHBondContact O-N 3.24Å
33	A	96.6	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-100.5	-18.3	-170.1	0	0	0	0	0	114.7	L25 D29 Y30 D35 R230 F232	L25-A33 HydrophobicContact CD1-CB 3.68Å; D29-A33 HydrophobicContact CB-CB 4.14Å; D29-A33 WeakPolarHBondContact O-CB 3.48Å; D29-A33 PolarHBondContact O-N 3.47Å; Y30-A33 PolarHBondContact O-N 3.48Å; A33-D35 PolarHBondContact O-N 2.73Å; A33-R230 VanDerWaalsContact CA-NH1 3.26Å; A33-R230 WeakPolarHBondContact O-CD 3.33Å; A33-R230 PolarHBondContact O-NH1 3.11Å; A33-F232 HydrophobicContact CB-CE1 3.94Å; A33-F232 HydrophobicContact CB-CZ 4.14Å
34	F	97.4	Very high	95.6	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.088	22%	0.218	C	C	.	.			trans	-83	107.9	179.1	-165.8	-75.3	0	0	0	110.4	Y30 P36 Y39 L107 Q109 N110 F227	Y30-F34 HydrophobicContact CD1-CD2 4.44Å; Y30-F34 WeakPolarHBondContact O-CB 3.23Å; Y30-F34 PolarHBondContact O-N 3Å; F34-P36 HydrophobicContact CE1-CB 4.42Å; F34-Y39 HydrophobicContact CE1-CG 4.17Å; F34-Y39 HydrophobicContact CE2-CD2 4.17Å; F34-Y39 HydrophobicContact CZ-CD1 4.28Å; F34-Y39 AromaticContact CZ-CD2 3.63Å; F34-Y39 HydrophobicContact CZ-CD2 3.63Å; F34-Y39 HydrophobicContact CZ-CE2 4.28Å; F34-Y39 AromaticContact CZ-CG 3.65Å; F34-Y39 HydrophobicContact CZ-CG 3.65Å; F34-L107 HydrophobicContact CB-CD1 3.49Å; F34-L107 VanDerWaalsContact CB-CD1 3.49Å; F34-L107 HydrophobicContact CD1-CD1 3.79Å; F34-L107 HydrophobicContact CD2-CD1 4.1Å; F34-L107 HydrophobicContact CG-CD1 3.53Å; F34-Q109 PolarHBondContact O-NE2 3.05Å; F34-N110 WeakPolarHBondContact CE1-OD1 3.35Å; F34-F227 HydrophobicContact CD2-CE1 4.35Å; F34-F227 HydrophobicContact CD2-CE2 4.39Å; F34-F227 AromaticContact CD2-CZ 3.54Å; F34-F227 HydrophobicContact CD2-CZ 3.54Å; F34-F227 HydrophobicContact CE1-CZ 4.5Å; F34-F227 HydrophobicContact CE2-CE1 4.05Å; F34-F227 HydrophobicContact CE2-CE2 4.36Å; F34-F227 AromaticContact CE2-CZ 3.49Å; F34-F227 HydrophobicContact CE2-CZ 3.49Å; F34-F227 VanDerWaalsContact CE2-CZ 3.49Å; F34-F227 HydrophobicContact CG-CZ 4.07Å; F34-F227 HydrophobicContact CZ-CE2 4.48Å; F34-F227 AromaticContact CZ-CZ 4Å; F34-F227 HydrophobicContact CZ-CZ 4Å
35	D	97.3	Very high	95.2	Very high	71 Å²	71	41.8 Å²	41.8	38%	0.38	21%	0.206	S	C	.	.			trans	-92.9	111.9	171	179.7	-19.8	0	0	0	109.6	A33 Y37 A38 Y39	A33-D35 PolarHBondContact O-N 2.73Å; D35-Y37 VanDerWaalsContact C-N 3.33Å; D35-Y37 PolarHBondContact O-N 3.08Å; D35-Y37 PolarHBondContact OD1-N 3.41Å; D35-A38 HydrophobicContact CB-CB 3.78Å; D35-A38 PolarHBondContact O-N 3.23Å; D35-A38 PolarHBondContact OD1-N 3.16Å; D35-A38 VanDerWaalsContact OD1-N 3.11Å; D35-Y39 PolarHBondContact O-N 3.05Å
36	P	97.6	Very high	94.1	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.078	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-30.5	-176.4	28.4	-35.3	0	0	0	113.6	F34 Y39 L40 P86 Q109 N110 L113	F34-P36 HydrophobicContact CE1-CB 4.42Å; P36-Y39 PolarHBondContact O-N 3.04Å; P36-L40 WeakPolarHBondContact O-CB 3.37Å; P36-L40 VanDerWaalsContact O-CG 3.29Å; P36-L40 WeakPolarHBondContact O-CG 3.37Å; P36-L40 PolarHBondContact O-N 3.3Å; P36-P86 HydrophobicContact CB-CB 3.8Å; P36-P86 HydrophobicContact CB-CG 3.84Å; P36-Q109 HydrophobicContact CG-CB 4.41Å; P36-Q109 HydrophobicContact CG-CG 4.35Å; P36-N110 WeakPolarHBondContact CB-OD1 3.39Å; P36-L113 HydrophobicContact CB-CD2 3.73Å; P36-L113 HydrophobicContact CG-CD1 4.21Å; P36-L113 HydrophobicContact CG-CD2 3.89Å
37	Y	96.8	Very high	92.5	Very high	66 Å²	66	51.4 Å²	51.4	26%	0.259	24%	0.238	S	C	.	.	H	α-helix	trans	-72.4	-39.7	176.3	-76	-67.9	0	0	0	110.8	D35 Y39 L40 N41 L113 E122 S123 F124	D35-Y37 VanDerWaalsContact C-N 3.33Å; D35-Y37 PolarHBondContact O-N 3.08Å; D35-Y37 PolarHBondContact OD1-N 3.41Å; Y37-Y39 VanDerWaalsContact C-N 3.27Å; Y37-Y39 PolarHBondContact O-N 3.45Å; Y37-L40 PolarHBondContact O-N 3.41Å; Y37-N41 WeakPolarHBondContact O-CB 3.21Å; Y37-N41 PolarHBondContact O-N 2.94Å; Y37-N41 PolarHBondContact O-ND2 2.8Å; Y37-N41 VanDerWaalsContact O-ND2 3.13Å; Y37-L113 HydrophobicContact CD1-CD2 4.45Å; Y37-L113 HydrophobicContact CD2-CD2 4.48Å; Y37-L113 HydrophobicContact CE1-CD2 4.05Å; Y37-L113 HydrophobicContact CE2-CD1 4.15Å; Y37-L113 HydrophobicContact CE2-CD2 4.1Å; Y37-L113 HydrophobicContact CE2-CG 4.42Å; Y37-E122 WeakPolarHBondContact CE1-OE1 3.27Å; Y37-E122 PolarHBondContact OH-OE1 3.42Å; Y37-S123 WeakPolarHBondContact CE1-OG 3.45Å; Y37-S123 PolarHBondContact OH-OG 3.41Å; Y37-F124 HydrophobicContact CE1-CB 4.49Å
38	A	96.4	Very high	90.7	Very high	16 Å²	16	52.3 Å²	52.3	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-38.7	173.2	0	0	0	0	0	111.9	D35 A42 F227	D35-A38 HydrophobicContact CB-CB 3.78Å; D35-A38 PolarHBondContact O-N 3.23Å; D35-A38 PolarHBondContact OD1-N 3.16Å; D35-A38 VanDerWaalsContact OD1-N 3.11Å; A38-A42 WeakPolarHBondContact O-CB 3.26Å; A38-A42 PolarHBondContact O-N 3.29Å; A38-F227 HydrophobicContact CB-CD2 4.06Å
39	Y	96.8	Very high	88.9	Confident	29 Å²	29	55.7 Å²	55.7	11%	0.114	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-52.7	173.9	177.3	-93	0	0	0	111.8	F34 D35 P36 Y37 N41 A42 F43 Y44 P86 T87 F227	F34-Y39 HydrophobicContact CE1-CG 4.17Å; F34-Y39 HydrophobicContact CE2-CD2 4.17Å; F34-Y39 HydrophobicContact CZ-CD1 4.28Å; F34-Y39 AromaticContact CZ-CD2 3.63Å; F34-Y39 HydrophobicContact CZ-CD2 3.63Å; F34-Y39 HydrophobicContact CZ-CE2 4.28Å; F34-Y39 AromaticContact CZ-CG 3.65Å; F34-Y39 HydrophobicContact CZ-CG 3.65Å; D35-Y39 PolarHBondContact O-N 3.05Å; P36-Y39 PolarHBondContact O-N 3.04Å; Y37-Y39 VanDerWaalsContact C-N 3.27Å; Y37-Y39 PolarHBondContact O-N 3.45Å; Y39-N41 VanDerWaalsContact C-N 3.28Å; Y39-N41 PolarHBondContact O-N 3.48Å; Y39-A42 PolarHBondContact O-N 3.09Å; Y39-A42 VanDerWaalsContact O-N 3.11Å; Y39-F43 HydrophobicContact CD1-CD2 4.43Å; Y39-F43 AromaticContact CD2-CD2 3.38Å; Y39-F43 HydrophobicContact CD2-CD2 3.38Å; Y39-F43 AromaticContact CD2-CE2 3.46Å; Y39-F43 HydrophobicContact CD2-CE2 3.46Å; Y39-F43 VanDerWaalsContact CD2-CE2 3.46Å; Y39-F43 HydrophobicContact CE1-CD2 4.44Å; Y39-F43 AromaticContact CE2-CD2 3.36Å; Y39-F43 HydrophobicContact CE2-CD2 3.36Å; Y39-F43 AromaticContact CE2-CE2 3.55Å; Y39-F43 HydrophobicContact CE2-CE2 3.55Å; Y39-F43 HydrophobicContact CE2-CG 4.34Å; Y39-F43 AromaticContact CG-CD2 3.92Å; Y39-F43 HydrophobicContact CG-CD2 3.92Å; Y39-F43 HydrophobicContact CG-CE2 4.33Å; Y39-F43 AromaticContact CZ-CD2 3.92Å; Y39-F43 VanDerWaalsContact O-CD2 3.23Å; Y39-F43 WeakPolarHBondContact O-CD2 3.01Å; Y39-F43 PolarHBondContact O-N 3.13Å; Y39-Y44 HydrophobicContact CD1-CE2 4.31Å; Y39-Y44 HydrophobicContact CE1-CD2 4.29Å; Y39-Y44 AromaticContact CE1-CE2 3.53Å; Y39-Y44 HydrophobicContact CE1-CE2 3.53Å; Y39-P86 HydrophobicContact CD1-CG 3.79Å; Y39-P86 HydrophobicContact CE1-CG 4.35Å; Y39-T87 HydrophobicContact CE1-CG2 3.91Å; Y39-F227 HydrophobicContact CD2-CD1 4.2Å; Y39-F227 HydrophobicContact CD2-CE1 4.16Å; Y39-F227 HydrophobicContact CD2-CG 4.42Å; Y39-F227 HydrophobicContact CD2-CZ 4.31Å
40	L	95.9	Very high	87	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-40.1	178.6	-71.5	179.4	0	0	0	112.3	P36 Y37 Y44 S45 P86 T87 L113 F124 W126	P36-L40 WeakPolarHBondContact O-CB 3.37Å; P36-L40 VanDerWaalsContact O-CG 3.29Å; P36-L40 WeakPolarHBondContact O-CG 3.37Å; P36-L40 PolarHBondContact O-N 3.3Å; Y37-L40 PolarHBondContact O-N 3.41Å; L40-Y44 HydrophobicContact CD2-CD2 3.91Å; L40-Y44 HydrophobicContact CD2-CE2 4.42Å; L40-Y44 HydrophobicContact CD2-CG 4.3Å; L40-Y44 CarbonylContact O-C 3.57Å; L40-Y44 WeakPolarHBondContact O-CA 3.46Å; L40-Y44 WeakPolarHBondContact O-CB 3.4Å; L40-Y44 PolarHBondContact O-N 3.29Å; L40-S45 PolarHBondContact O-N 2.96Å; L40-P86 HydrophobicContact CD1-CB 4.14Å; L40-P86 HydrophobicContact CD1-CG 4.29Å; L40-P86 HydrophobicContact CD2-CB 4.36Å; L40-P86 HydrophobicContact CD2-CG 3.86Å; L40-P86 HydrophobicContact CG-CB 4.2Å; L40-P86 HydrophobicContact CG-CG 3.79Å; L40-T87 HydrophobicContact CD2-CG2 4.1Å; L40-L113 HydrophobicContact CD1-CD2 4.13Å; L40-F124 HydrophobicContact CB-CD2 3.7Å; L40-F124 HydrophobicContact CB-CE2 3.54Å; L40-F124 HydrophobicContact CB-CG 4.3Å; L40-F124 HydrophobicContact CB-CZ 4.02Å; L40-F124 HydrophobicContact CD1-CB 4.03Å; L40-F124 HydrophobicContact CD1-CD1 4.24Å; L40-F124 HydrophobicContact CD1-CD2 3.97Å; L40-F124 HydrophobicContact CD1-CG 3.81Å; L40-F124 HydrophobicContact CG-CD2 4.44Å; L40-W126 HydrophobicContact CD1-CZ2 4.25Å; L40-W126 HydrophobicContact CD2-CH2 3.56Å; L40-W126 HydrophobicContact CD2-CZ2 3.53Å
41	N	93.4	Very high	85.6	Confident	67 Å²	67	69.4 Å²	69.4	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-46.1	175.1	-73.1	-24.3	0	0	0	110.9	Y37 Y39 F43 S45 Y47	Y37-N41 WeakPolarHBondContact O-CB 3.21Å; Y37-N41 PolarHBondContact O-N 2.94Å; Y37-N41 PolarHBondContact O-ND2 2.8Å; Y37-N41 VanDerWaalsContact O-ND2 3.13Å; Y39-N41 VanDerWaalsContact C-N 3.28Å; Y39-N41 PolarHBondContact O-N 3.48Å; N41-F43 PolarHBondContact O-N 3.3Å; N41-S45 WeakPolarHBondContact O-CB 3.39Å; N41-Y47 WeakPolarHBondContact CB-OH 3.36Å; N41-Y47 WeakPolarHBondContact O-CE2 3.29Å; N41-Y47 PolarHBondContact O-OH 3.3Å
42	A	92.3	Very high	84.2	Confident	31 Å²	31	71.3 Å²	71.3	26%	0.256	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-41	-178.9	0	0	0	0	0	113.1	A38 Y39 F227	A38-A42 WeakPolarHBondContact O-CB 3.26Å; A38-A42 PolarHBondContact O-N 3.29Å; Y39-A42 PolarHBondContact O-N 3.09Å; Y39-A42 VanDerWaalsContact O-N 3.11Å; A42-F227 HydrophobicContact CB-CB 3.58Å
43	F	93.7	Very high	83.1	Confident	27 Å²	27	64.4 Å²	64.4	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-110.6	-21.3	-165.5	-61.9	-65.8	0	0	0	115	Y39 N41 M54 D56 M59 F227	Y39-F43 HydrophobicContact CD1-CD2 4.43Å; Y39-F43 AromaticContact CD2-CD2 3.38Å; Y39-F43 HydrophobicContact CD2-CD2 3.38Å; Y39-F43 AromaticContact CD2-CE2 3.46Å; Y39-F43 HydrophobicContact CD2-CE2 3.46Å; Y39-F43 VanDerWaalsContact CD2-CE2 3.46Å; Y39-F43 HydrophobicContact CE1-CD2 4.44Å; Y39-F43 AromaticContact CE2-CD2 3.36Å; Y39-F43 HydrophobicContact CE2-CD2 3.36Å; Y39-F43 AromaticContact CE2-CE2 3.55Å; Y39-F43 HydrophobicContact CE2-CE2 3.55Å; Y39-F43 HydrophobicContact CE2-CG 4.34Å; Y39-F43 AromaticContact CG-CD2 3.92Å; Y39-F43 HydrophobicContact CG-CD2 3.92Å; Y39-F43 HydrophobicContact CG-CE2 4.33Å; Y39-F43 AromaticContact CZ-CD2 3.92Å; Y39-F43 VanDerWaalsContact O-CD2 3.23Å; Y39-F43 WeakPolarHBondContact O-CD2 3.01Å; Y39-F43 PolarHBondContact O-N 3.13Å; N41-F43 PolarHBondContact O-N 3.3Å; F43-M54 WeakPolarHBondContact O-CB 3.43Å; F43-D56 HydrophobicContact CD1-CB 3.92Å; F43-M59 HydrophobicContact CB-CG 3.95Å; F43-F227 HydrophobicContact CE2-CB 3.81Å; F43-F227 AromaticContact CE2-CD1 3.83Å; F43-F227 HydrophobicContact CE2-CD1 3.83Å; F43-F227 AromaticContact CE2-CG 3.99Å; F43-F227 HydrophobicContact CE2-CG 3.99Å; F43-F227 HydrophobicContact CZ-CB 4.27Å; F43-F227 HydrophobicContact CZ-CD1 4.37Å
44	Y	94.2	Very high	82.5	Confident	7 Å²	7	64.6 Å²	64.6	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-123.8	2.1	-173	-61.8	-96.9	0	0	0	113.5	Y39 L40 M59 L63 T87 H89 W126 I129	Y39-Y44 HydrophobicContact CD1-CE2 4.31Å; Y39-Y44 HydrophobicContact CE1-CD2 4.29Å; Y39-Y44 AromaticContact CE1-CE2 3.53Å; Y39-Y44 HydrophobicContact CE1-CE2 3.53Å; L40-Y44 HydrophobicContact CD2-CD2 3.91Å; L40-Y44 HydrophobicContact CD2-CE2 4.42Å; L40-Y44 HydrophobicContact CD2-CG 4.3Å; L40-Y44 CarbonylContact O-C 3.57Å; L40-Y44 WeakPolarHBondContact O-CA 3.46Å; L40-Y44 WeakPolarHBondContact O-CB 3.4Å; L40-Y44 PolarHBondContact O-N 3.29Å; Y44-M59 HydrophobicContact CD1-CE 4.39Å; Y44-M59 HydrophobicContact CE1-CE 3.41Å; Y44-M59 VanDerWaalsContact CE1-CE 3.41Å; Y44-M59 HydrophobicContact CE2-CE 4.15Å; Y44-M59 HydrophobicContact CE2-SD 4.42Å; Y44-M59 WeakPolarHBondContact OH-CE 3.42Å; Y44-L63 HydrophobicContact CD1-CD1 4.35Å; Y44-L63 HydrophobicContact CE1-CD1 4.19Å; Y44-T87 HydrophobicContact CE1-CG2 4.25Å; Y44-T87 HydrophobicContact CE2-CG2 3.76Å; Y44-T87 WeakPolarHBondContact OH-CG2 3.38Å; Y44-H89 AromaticContact CE1-ND1 3.95Å; Y44-W126 AromaticContact CD1-CH2 3.88Å; Y44-W126 HydrophobicContact CD1-CH2 3.88Å; Y44-W126 AromaticContact CD1-CZ3 3.63Å; Y44-W126 HydrophobicContact CD1-CZ3 3.63Å; Y44-W126 HydrophobicContact CE1-CH2 4.24Å; Y44-W126 HydrophobicContact CE1-CZ3 4.18Å; Y44-W126 HydrophobicContact CG-CH2 4.1Å; Y44-W126 HydrophobicContact CG-CZ3 4.13Å; Y44-I129 WeakPolarHBondContact O-CD1 3.01Å
45	S	86.1	Confident	81.6	Confident	26 Å²	26	68 Å²	68	18%	0.182	32%	0.321	C	S	.	.			trans	-104.4	158.1	175.4	-63	0	0	0	0	112.5	L40 N41 F124	L40-S45 PolarHBondContact O-N 2.96Å; N41-S45 WeakPolarHBondContact O-CB 3.39Å; S45-F124 VanDerWaalsContact OG-CE2 3.26Å; S45-F124 WeakPolarHBondContact OG-CE2 3.45Å
46	R	74.5	Confident	81.3	Confident	115 Å²	115	66.6 Å²	66.6	43%	0.434	31%	0.314	S	S	.	.			trans	-109.1	111.1	176.1	-170.6	168.9	171.1	-170.5	-6.9	109.4	T48 R50 Y52 P53	R46-T48 WeakPolarHBondContact CG-O 3.21Å; R46-T48 PolarHBondContact NE-O 2.85Å; R46-R50 PolarHBondContact NE-O 2.9Å; R46-R50 VanDerWaalsContact NE-O 3.14Å; R46-R50 PolarHBondContact NH2-O 3.26Å; R46-Y52 VanDerWaalsContact CD-O 3.28Å; R46-Y52 WeakPolarHBondContact CD-O 3.36Å; R46-Y52 PolarHBondContact NE-O 2.95Å; R46-P53 WeakPolarHBondContact CB-O 3.29Å
47	Y	60.5	Low	80.8	Confident	140 Å²	140	70.3 Å²	70.3	55%	0.549	34%	0.339	S	S	.	.			trans	-88.2	-19.8	176.8	-60.4	-79.2	0	0	0	112.8	N41	N41-Y47 WeakPolarHBondContact CB-OH 3.36Å; N41-Y47 WeakPolarHBondContact O-CE2 3.29Å; N41-Y47 PolarHBondContact O-OH 3.3Å
48	T	56.4	Low	80.7	Confident	59 Å²	59	67.6 Å²	67.6	36%	0.362	33%	0.331	S	S	.	.	S	Bend	trans	-130.9	154.6	-174.4	61.6	0	0	0	0	113.4	R46 R50 E55	R46-T48 WeakPolarHBondContact CG-O 3.21Å; R46-T48 PolarHBondContact NE-O 2.85Å; T48-R50 PolarHBondContact O-N 2.84Å; T48-R50 WeakPolarHBondContact OG1-CD 3.22Å; T48-R50 WeakPolarHBondContact OG1-CG 3.49Å; T48-E55 WeakPolarHBondContact CB-OE1 3.28Å; T48-E55 VanDerWaalsContact CG2-OE1 3.28Å; T48-E55 WeakPolarHBondContact CG2-OE1 3.42Å; T48-E55 PolarHBondContact N-OE1 2.68Å; T48-E55 PolarHBondContact OG1-OE1 3.01Å
49	I	55.7	Low	80.6	Confident	171 Å²	171	67 Å²	67	88%	0.877	33%	0.326	S	S	*	.			trans	-73.1	53.5	173.2	-62	169.5	0	0	0	110.1
50	R	57.7	Low	80.4	Confident	177 Å²	177	66.6 Å²	66.6	67%	0.668	33%	0.326	S	S	*	.			trans	-94.5	157.2	173.7	-77.6	-176.4	173	-119.6	-0.9	111.6	R46 T48 Y52	R46-R50 PolarHBondContact NE-O 2.9Å; R46-R50 VanDerWaalsContact NE-O 3.14Å; R46-R50 PolarHBondContact NH2-O 3.26Å; T48-R50 PolarHBondContact O-N 2.84Å; T48-R50 WeakPolarHBondContact OG1-CD 3.22Å; T48-R50 WeakPolarHBondContact OG1-CG 3.49Å; R50-Y52 PolarHBondContact O-N 2.85Å
51	L	66.7	Low	80.4	Confident	170 Å²	170	67.8 Å²	67.8	89%	0.89	33%	0.332	S	S	*	.	S	Bend	trans	-59.9	-9.9	-174.7	-68.9	164.4	0	0	0	115.5
52	Y	66.4	Low	80.6	Confident	138 Å²	138	64.6 Å²	64.6	54%	0.541	32%	0.315	S	S	.	.	S	Bend	trans	-106	148.3	-174.3	-58.1	-78	0	0	0	112.3	R46 R50 M54 T60	R46-Y52 VanDerWaalsContact CD-O 3.28Å; R46-Y52 WeakPolarHBondContact CD-O 3.36Å; R46-Y52 PolarHBondContact NE-O 2.95Å; R50-Y52 PolarHBondContact O-N 2.85Å; Y52-M54 VanDerWaalsContact C-N 3.34Å; Y52-M54 WeakPolarHBondContact CB-O 3.46Å; Y52-T60 HydrophobicContact CD1-CG2 3.87Å; Y52-T60 HydrophobicContact CE1-CG2 4.42Å; Y52-T60 HydrophobicContact CG-CG2 4.48Å
53	P	73.5	Confident	80.7	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.058	30%	0.302	C	S	.	.	S	Bend	trans	-74.4	-19.4	-178.8	33.7	-40.3	0	0	0	113.9	R46 V128 I129 F132	R46-P53 WeakPolarHBondContact CB-O 3.29Å; P53-V128 HydrophobicContact CB-CG1 3.87Å; P53-I129 HydrophobicContact CB-CD1 4.31Å; P53-F132 HydrophobicContact CB-CB 4.02Å; P53-F132 HydrophobicContact CB-CD2 4.31Å; P53-F132 HydrophobicContact CB-CG 4.17Å; P53-F132 HydrophobicContact CG-CB 3.92Å; P53-F132 HydrophobicContact CG-CD1 3.89Å; P53-F132 HydrophobicContact CG-CD2 3.51Å; P53-F132 HydrophobicContact CG-CE1 4.21Å; P53-F132 HydrophobicContact CG-CE2 3.85Å; P53-F132 HydrophobicContact CG-CG 3.5Å; P53-F132 HydrophobicContact CG-CZ 4.18Å
54	M	83.2	Confident	80.8	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.02	31%	0.307	C	S	.	.			trans	-136.2	164.2	168.9	61.5	-79.8	-53.7	0	0	110.6	F43 Y52 M59 L63 I129	F43-M54 WeakPolarHBondContact O-CB 3.43Å; Y52-M54 VanDerWaalsContact C-N 3.34Å; Y52-M54 WeakPolarHBondContact CB-O 3.46Å; M54-M59 HydrophobicContact CG-CB 4Å; M54-M59 HydrophobicContact SD-CB 4.47Å; M54-L63 HydrophobicContact CE-CD1 3.3Å; M54-L63 HydrophobicContact SD-CD1 4.13Å; M54-I129 HydrophobicContact CE-CD1 3.27Å; M54-I129 HydrophobicContact CE-CG1 4.39Å
55	E	78.9	Confident	81	Confident	92 Å²	92	64.3 Å²	64.3	43%	0.43	31%	0.313	S	S	.	.	S	Bend	trans	-90	-26.4	178.2	-62.6	-168.6	164.7	0	0	113.1	T48 S57	T48-E55 WeakPolarHBondContact CB-OE1 3.28Å; T48-E55 VanDerWaalsContact CG2-OE1 3.28Å; T48-E55 WeakPolarHBondContact CG2-OE1 3.42Å; T48-E55 PolarHBondContact N-OE1 2.68Å; T48-E55 PolarHBondContact OG1-OE1 3.01Å; E55-S57 PolarHBondContact O-N 2.98Å
56	D	90.1	Very high	81.5	Confident	42 Å²	42	63 Å²	63	23%	0.225	30%	0.304	C	S	.	.			trans	-68.5	124.2	179.7	-175.3	-89.6	0	0	0	111.5	F43 A58 M59 T60	F43-D56 HydrophobicContact CD1-CB 3.92Å; D56-A58 WeakPolarHBondContact OD1-CA 3.4Å; D56-A58 WeakPolarHBondContact OD1-CB 3.33Å; D56-A58 PolarHBondContact OD1-N 2.82Å; D56-M59 HydrophobicContact CB-CB 4.16Å; D56-M59 HydrophobicContact CB-CG 4.14Å; D56-M59 WeakPolarHBondContact OD1-CG 3.29Å; D56-M59 PolarHBondContact OD1-N 3.45Å; D56-T60 WeakPolarHBondContact O-CB 3.43Å; D56-T60 PolarHBondContact O-N 3.4Å; D56-T60 PolarHBondContact O-OG1 3.46Å
57	S	88.7	Confident	82.6	Confident	89 Å²	89	57.9 Å²	57.9	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-70.2	-34.1	-176.5	49.9	0	0	0	0	112.7	E55 T60 M61	E55-S57 PolarHBondContact O-N 2.98Å; S57-T60 PolarHBondContact O-N 2.94Å; S57-M61 PolarHBondContact O-N 3.16Å
58	A	93.5	Very high	84.3	Confident	10 Å²	10	54.7 Å²	54.7	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-68.9	-47.8	-179.7	0	0	0	0	0	110.6	D56 T60 M61 V62 F185 V219 V266	D56-A58 WeakPolarHBondContact OD1-CA 3.4Å; D56-A58 WeakPolarHBondContact OD1-CB 3.33Å; D56-A58 PolarHBondContact OD1-N 2.82Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 PolarHBondContact O-N 3.06Å; A58-M61 PolarHBondContact O-N 2.88Å; A58-V62 WeakPolarHBondContact O-CG2 2.99Å; A58-V62 PolarHBondContact O-N 2.85Å; A58-F185 HydrophobicContact CB-CE1 4Å; A58-F185 HydrophobicContact CB-CZ 3.96Å; A58-V219 HydrophobicContact CB-CG2 4.32Å; A58-V266 HydrophobicContact CB-CB 4.36Å; A58-V266 HydrophobicContact CB-CG1 3.87Å; A58-V266 HydrophobicContact CB-CG2 3.54Å
59	M	94.4	Very high	86.1	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-40.8	173.6	-65.3	-48	-49	0	0	112.1	F43 Y44 M54 D56 M61 V62 L63 F185	F43-M59 HydrophobicContact CB-CG 3.95Å; Y44-M59 HydrophobicContact CD1-CE 4.39Å; Y44-M59 HydrophobicContact CE1-CE 3.41Å; Y44-M59 VanDerWaalsContact CE1-CE 3.41Å; Y44-M59 HydrophobicContact CE2-CE 4.15Å; Y44-M59 HydrophobicContact CE2-SD 4.42Å; Y44-M59 WeakPolarHBondContact OH-CE 3.42Å; M54-M59 HydrophobicContact CG-CB 4Å; M54-M59 HydrophobicContact SD-CB 4.47Å; D56-M59 HydrophobicContact CB-CB 4.16Å; D56-M59 HydrophobicContact CB-CG 4.14Å; D56-M59 WeakPolarHBondContact OD1-CG 3.29Å; D56-M59 PolarHBondContact OD1-N 3.45Å; M59-M61 VanDerWaalsContact C-N 3.34Å; M59-M61 PolarHBondContact O-N 2.86Å; M59-V62 PolarHBondContact O-N 3.03Å; M59-L63 HydrophobicContact CE-CD1 3.97Å; M59-L63 HydrophobicContact CE-CD2 4.4Å; M59-L63 HydrophobicContact CE-CG 4.07Å; M59-L63 VanDerWaalsContact O-CB 3.28Å; M59-L63 WeakPolarHBondContact O-CB 3.34Å; M59-L63 VanDerWaalsContact O-CG 3.26Å; M59-L63 WeakPolarHBondContact O-CG 3.48Å; M59-L63 PolarHBondContact O-N 3.15Å; M59-F185 HydrophobicContact CE-CE2 4.24Å; M59-F185 HydrophobicContact SD-CD2 3.9Å; M59-F185 HydrophobicContact SD-CE2 3.46Å; M59-F185 WeakPolarHBondContact SD-CE2 3.47Å; M59-F185 HydrophobicContact SD-CZ 4.17Å
60	T	93.3	Very high	88.1	Confident	19 Å²	19	43.9 Å²	43.9	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-45.6	176.3	-61	0	0	0	0	111	Y52 D56 S57 A58 S64	Y52-T60 HydrophobicContact CD1-CG2 3.87Å; Y52-T60 HydrophobicContact CE1-CG2 4.42Å; Y52-T60 HydrophobicContact CG-CG2 4.48Å; D56-T60 WeakPolarHBondContact O-CB 3.43Å; D56-T60 PolarHBondContact O-N 3.4Å; D56-T60 PolarHBondContact O-OG1 3.46Å; S57-T60 PolarHBondContact O-N 2.94Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 PolarHBondContact O-N 3.06Å; T60-S64 VanDerWaalsContact O-CB 3.28Å; T60-S64 WeakPolarHBondContact O-CB 3.3Å; T60-S64 PolarHBondContact O-N 3.21Å; T60-S64 VanDerWaalsContact O-N 3.08Å; T60-S64 PolarHBondContact O-OG 3Å
61	M	95.1	Very high	89.9	Confident	26 Å²	26	38.5 Å²	38.5	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-52.9	177.4	177.7	-177.1	167.3	0	0	111.5	S57 A58 M59 L63 S64 L65 H263 V266	S57-M61 PolarHBondContact O-N 3.16Å; A58-M61 PolarHBondContact O-N 2.88Å; M59-M61 VanDerWaalsContact C-N 3.34Å; M59-M61 PolarHBondContact O-N 2.86Å; M61-L63 PolarHBondContact O-N 3.49Å; M61-S64 PolarHBondContact O-N 3.37Å; M61-L65 HydrophobicContact CE-CD1 3.68Å; M61-L65 HydrophobicContact CG-CD1 3.78Å; M61-L65 WeakPolarHBondContact O-CG 3.45Å; M61-L65 PolarHBondContact O-N 2.9Å; M61-H263 HydrophobicContact CE-CB 4.04Å; M61-H263 HydrophobicContact SD-CB 3.72Å; M61-V266 HydrophobicContact CB-CG1 4.39Å; M61-V266 WeakPolarHBondContact CE-O 3.37Å; M61-V266 HydrophobicContact CG-CG1 4.49Å; M61-V266 HydrophobicContact SD-CB 3.73Å; M61-V266 HydrophobicContact SD-CG1 3.74Å
62	V	97.1	Very high	91.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-47.3	-176.6	167.3	0	0	0	0	110.9	A58 M59 S64 L65 L66 F185 A217 V266 L268	A58-V62 WeakPolarHBondContact O-CG2 2.99Å; A58-V62 PolarHBondContact O-N 2.85Å; M59-V62 PolarHBondContact O-N 3.03Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.28Å; V62-L65 PolarHBondContact O-N 2.92Å; V62-L66 VanDerWaalsContact O-CB 3.23Å; V62-L66 WeakPolarHBondContact O-CB 3.49Å; V62-L66 PolarHBondContact O-N 3.46Å; V62-F185 HydrophobicContact CB-CE2 4.29Å; V62-F185 HydrophobicContact CB-CZ 4.36Å; V62-F185 HydrophobicContact CG1-CE2 4.4Å; V62-F185 HydrophobicContact CG2-CE2 3.89Å; V62-F185 HydrophobicContact CG2-CZ 3.58Å; V62-A217 HydrophobicContact CG1-CB 4.34Å; V62-A217 HydrophobicContact CG2-CB 3.78Å; V62-V266 HydrophobicContact CG2-CG1 4.26Å; V62-L268 HydrophobicContact CG1-CD1 4.21Å
63	L	96.2	Very high	92.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-73.2	-21.7	-178.4	-61.1	176.5	0	0	0	113.1	Y44 M54 M59 M61 P67 H89 I129 F132 L133	Y44-L63 HydrophobicContact CD1-CD1 4.35Å; Y44-L63 HydrophobicContact CE1-CD1 4.19Å; M54-L63 HydrophobicContact CE-CD1 3.3Å; M54-L63 HydrophobicContact SD-CD1 4.13Å; M59-L63 HydrophobicContact CE-CD1 3.97Å; M59-L63 HydrophobicContact CE-CD2 4.4Å; M59-L63 HydrophobicContact CE-CG 4.07Å; M59-L63 VanDerWaalsContact O-CB 3.28Å; M59-L63 WeakPolarHBondContact O-CB 3.34Å; M59-L63 VanDerWaalsContact O-CG 3.26Å; M59-L63 WeakPolarHBondContact O-CG 3.48Å; M59-L63 PolarHBondContact O-N 3.15Å; M61-L63 PolarHBondContact O-N 3.49Å; L63-P67 WeakPolarHBondContact O-CD 3.44Å; L63-H89 HydrophobicContact CD2-CB 3.57Å; L63-I129 HydrophobicContact CD1-CG2 4.26Å; L63-F132 HydrophobicContact CB-CD1 4.4Å; L63-F132 HydrophobicContact CB-CE1 3.99Å; L63-L133 HydrophobicContact CB-CD2 4.13Å; L63-L133 HydrophobicContact CD2-CD2 4.23Å; L63-L133 WeakPolarHBondContact O-CD2 3.38Å
64	S	95.6	Very high	93.6	Very high	31 Å²	31	34.9 Å²	34.9	22%	0.217	19%	0.193	C	C	.	.	H	α-helix	trans	-71.2	-39.6	169.6	-60.1	0	0	0	0	111.9	T60 M61 V62 F132	T60-S64 VanDerWaalsContact O-CB 3.28Å; T60-S64 WeakPolarHBondContact O-CB 3.3Å; T60-S64 PolarHBondContact O-N 3.21Å; T60-S64 VanDerWaalsContact O-N 3.08Å; T60-S64 PolarHBondContact O-OG 3Å; M61-S64 PolarHBondContact O-N 3.37Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.28Å; S64-F132 WeakPolarHBondContact OG-CZ 3Å
65	L	96.8	Very high	94.2	Very high	28 Å²	28	42.2 Å²	42.2	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-89.5	-29.7	-172.8	-67.3	174.4	0	0	0	113.5	M61 V62 I68 V69 Y261 L268	M61-L65 HydrophobicContact CE-CD1 3.68Å; M61-L65 HydrophobicContact CG-CD1 3.78Å; M61-L65 WeakPolarHBondContact O-CG 3.45Å; M61-L65 PolarHBondContact O-N 2.9Å; V62-L65 PolarHBondContact O-N 2.92Å; L65-I68 HydrophobicContact CD2-CD1 4.47Å; L65-I68 WeakPolarHBondContact O-CB 3.28Å; L65-I68 PolarHBondContact O-N 2.82Å; L65-V69 PolarHBondContact O-N 2.82Å; L65-Y261 HydrophobicContact CD1-CD1 4.16Å; L65-Y261 HydrophobicContact CD1-CD2 4.01Å; L65-Y261 HydrophobicContact CD1-CG 3.71Å; L65-Y261 HydrophobicContact CD2-CD1 4.27Å; L65-Y261 HydrophobicContact CD2-CE1 4.2Å; L65-Y261 HydrophobicContact CD2-CE2 4.44Å; L65-Y261 HydrophobicContact CD2-CG 4.43Å; L65-L268 HydrophobicContact CB-CD1 4.18Å
66	L	97.7	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-45	-172	-178.6	63.1	0	0	0	113.2	V62 I68 V69 A70 V93 F94 F184 V215	V62-L66 VanDerWaalsContact O-CB 3.23Å; V62-L66 WeakPolarHBondContact O-CB 3.49Å; V62-L66 PolarHBondContact O-N 3.46Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 3.31Å; L66-V69 PolarHBondContact O-N 2.9Å; L66-A70 WeakPolarHBondContact O-CB 3.29Å; L66-A70 PolarHBondContact O-N 3.09Å; L66-V93 HydrophobicContact CD2-CB 4.38Å; L66-V93 HydrophobicContact CD2-CG2 4.08Å; L66-V93 HydrophobicContact CG-CB 4.38Å; L66-V93 HydrophobicContact CG-CG1 4.13Å; L66-V93 HydrophobicContact CG-CG2 4.22Å; L66-F94 HydrophobicContact CD1-CE2 4.05Å; L66-F184 HydrophobicContact CD1-CE1 4.49Å; L66-F184 HydrophobicContact CD1-CE2 3.99Å; L66-F184 HydrophobicContact CD1-CZ 3.52Å; L66-F184 HydrophobicContact CD2-CE2 3.7Å; L66-F184 HydrophobicContact CD2-CZ 4.14Å; L66-F184 HydrophobicContact CG-CE2 4.5Å; L66-F184 HydrophobicContact CG-CZ 4.46Å; L66-V215 HydrophobicContact CD1-CG1 4.34Å
67	P	97.1	Very high	95.5	Very high	7 Å²	7	42.4 Å²	42.4	5%	0.045	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-38.9	173.9	-28.5	39.9	0	0	0	114.1	L63 A70 A71 V93 L133 Q136 E137	L63-P67 WeakPolarHBondContact O-CD 3.44Å; P67-A70 PolarHBondContact O-N 3.42Å; P67-A71 WeakPolarHBondContact O-CB 3.45Å; P67-A71 PolarHBondContact O-N 3.12Å; P67-V93 HydrophobicContact CB-CG1 4.43Å; P67-V93 HydrophobicContact CG-CG1 4.36Å; P67-V93 HydrophobicContact CG-CG2 3.87Å; P67-L133 HydrophobicContact CG-CD2 3.97Å; P67-Q136 HydrophobicContact CB-CB 4.01Å; P67-Q136 HydrophobicContact CG-CB 3.82Å; P67-E137 HydrophobicContact CB-CG 3.74Å; P67-E137 HydrophobicContact CG-CG 4.36Å
68	I	95.6	Very high	96	Very high	73 Å²	73	39.1 Å²	39.1	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-65.7	-43.6	179.1	-56.1	173.8	0	0	0	109.8	L65 L66 A71 R72	L65-I68 HydrophobicContact CD2-CD1 4.47Å; L65-I68 WeakPolarHBondContact O-CB 3.28Å; L65-I68 PolarHBondContact O-N 2.82Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 3.31Å; I68-A71 WeakPolarHBondContact O-CB 3.45Å; I68-A71 PolarHBondContact O-N 2.74Å; I68-R72 WeakPolarHBondContact O-CG 3Å; I68-R72 PolarHBondContact O-N 3.41Å
69	V	95.4	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-45.8	177.8	170.3	0	0	0	0	111.6	L65 L66 A71 R72 L73 V215 I259 Y261 L268 V270	L65-V69 PolarHBondContact O-N 2.82Å; L66-V69 PolarHBondContact O-N 2.9Å; V69-A71 PolarHBondContact O-N 2.72Å; V69-R72 WeakPolarHBondContact O-CB 3.23Å; V69-R72 PolarHBondContact O-N 3.18Å; V69-L73 PolarHBondContact O-N 2.86Å; V69-V215 HydrophobicContact CG1-CG1 4.32Å; V69-I259 HydrophobicContact CG2-CG2 4.08Å; V69-Y261 HydrophobicContact CG2-CD2 4.44Å; V69-Y261 HydrophobicContact CG2-CE2 3.88Å; V69-L268 HydrophobicContact CB-CD2 4.19Å; V69-L268 HydrophobicContact CG1-CD2 4.21Å; V69-L268 HydrophobicContact CG2-CD2 3.52Å; V69-V270 HydrophobicContact CB-CG2 4.5Å; V69-V270 HydrophobicContact CG1-CG2 3.07Å
70	A	96.6	Very high	96.4	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-35.6	175.7	0	0	0	0	0	112.2	L66 P67 R72 L73 V93 F94 K97	L66-A70 WeakPolarHBondContact O-CB 3.29Å; L66-A70 PolarHBondContact O-N 3.09Å; P67-A70 PolarHBondContact O-N 3.42Å; A70-R72 PolarHBondContact O-N 3.32Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-V93 HydrophobicContact CB-CG1 3.45Å; A70-V93 VanDerWaalsContact CB-CG1 3.45Å; A70-F94 HydrophobicContact CB-CD1 4.23Å; A70-F94 HydrophobicContact CB-CE1 3.74Å; A70-F94 HydrophobicContact CB-CE2 4.16Å; A70-F94 HydrophobicContact CB-CZ 3.7Å; A70-K97 WeakPolarHBondContact O-CE 3.3Å; A70-K97 PolarHBondContact O-NZ 3.04Å
71	A	95.3	Very high	96.7	Very high	64 Å²	64	37.7 Å²	37.7	53%	0.529	18%	0.18	S	C	.	.	H	α-helix	trans	-61.1	-32.4	175.7	0	0	0	0	0	113	P67 I68 V69 K97	P67-A71 WeakPolarHBondContact O-CB 3.45Å; P67-A71 PolarHBondContact O-N 3.12Å; I68-A71 WeakPolarHBondContact O-CB 3.45Å; I68-A71 PolarHBondContact O-N 2.74Å; V69-A71 PolarHBondContact O-N 2.72Å; A71-K97 PolarHBondContact O-NZ 3.24Å
72	R	94.1	Very high	96.9	Very high	176 Å²	176	36.4 Å²	36.4	66%	0.664	17%	0.174	S	C	*	.	H	α-helix	trans	-80.4	-18.1	179.3	-64.1	175.8	71.1	111.4	0.5	113.8	I68 V69 A70 I259	I68-R72 WeakPolarHBondContact O-CG 3Å; I68-R72 PolarHBondContact O-N 3.41Å; V69-R72 WeakPolarHBondContact O-CB 3.23Å; V69-R72 PolarHBondContact O-N 3.18Å; A70-R72 PolarHBondContact O-N 3.32Å; R72-I259 HydrophobicContact CB-CD1 4.09Å
73	L	95.3	Very high	96.9	Very high	7 Å²	7	37 Å²	37	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-74.9	146.3	174.9	-70.4	172.7	0	0	0	111.2	V69 A70 F94 K97 I180 Y213 V215 V270	V69-L73 PolarHBondContact O-N 2.86Å; A70-L73 PolarHBondContact O-N 2.87Å; L73-F94 HydrophobicContact CD1-CE1 3.89Å; L73-F94 HydrophobicContact CD1-CZ 4.19Å; L73-K97 PolarHBondContact O-NZ 3.28Å; L73-I180 HydrophobicContact CD1-CD1 4Å; L73-Y213 HydrophobicContact CD2-CD1 3.56Å; L73-Y213 HydrophobicContact CD2-CD2 3.93Å; L73-Y213 HydrophobicContact CD2-CE1 3.98Å; L73-Y213 HydrophobicContact CD2-CE2 4.34Å; L73-Y213 HydrophobicContact CD2-CG 3.52Å; L73-V215 HydrophobicContact CD1-CG2 3.91Å; L73-V270 HydrophobicContact CD2-CG1 3.87Å
74	P	95.4	Very high	97	Very high	58 Å²	58	37.3 Å²	37.3	38%	0.377	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-64.2	165.3	173.7	29.2	-34.1	0	0	0	110.7	C76 Y213	P74-C76 PolarHBondContact O-N 3.42Å; P74-Y213 HydrophobicContact CG-CE2 3.69Å
75	R	96.9	Very high	97.2	Very high	158 Å²	158	36.2 Å²	36.2	60%	0.596	18%	0.176	S	C	*	.	P	Polyproline II helix	trans	-65.9	130.5	166.8	-169.2	-177.3	-179.8	93.7	4.5	108.2	R96 K97 D99	R75-R96 PolarHBondContact NH1-O 2.87Å; R75-K97 WeakPolarHBondContact CA-O 3.39Å; R75-K97 WeakPolarHBondContact CG-O 3.26Å; R75-D99 IonicContact CZ-OD1 3.49Å; R75-D99 IonicContact NE-OD1 3.97Å; R75-D99 IonicContact NH2-OD1 3.43Å; R75-D99 PolarHBondContact NH2-OD1 3.39Å
76	C	97.2	Very high	97.2	Very high	13 Å²	13	35 Å²	35	9%	0.088	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	164.3	-175.6	-75.1	0	0	0	0	110.1	P74 K97 V98 D99 D179 I180	P74-C76 PolarHBondContact O-N 3.42Å; C76-K97 PolarHBondContact N-O 2.69Å; C76-V98 HydrophobicContact CB-CG1 4.03Å; C76-V98 VanDerWaalsContact O-CA 3.3Å; C76-V98 WeakPolarHBondContact O-CA 3.17Å; C76-D99 PolarHBondContact O-N 3.18Å; C76-D179 HydrophobicContact CB-CB 3.5Å; C76-D179 VanDerWaalsContact CB-CB 3.5Å; C76-I180 HydrophobicContact CB-CD1 3.94Å; C76-I180 HydrophobicContact CB-CG1 4.24Å
77	R	98	Very high	97.3	Very high	126 Å²	126	35.1 Å²	35.1	48%	0.475	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-57.3	177.7	-173	178.6	70.5	104.2	-14.5	110.5	D99 E100 D179	R77-D99 HydrophobicContact CG-CB 4.39Å; R77-D99 CarbonylContact O-C 3.6Å; R77-D99 PolarHBondContact O-N 3.19Å; R77-E100 IonicContact CZ-OE1 3.93Å; R77-E100 IonicContact NH1-OE1 2.75Å; R77-E100 PolarHBondContact NH1-OE1 2.97Å; R77-E100 IonicContact NH1-OE2 2.65Å; R77-E100 PolarHBondContact O-N 3.16Å; R77-D179 WeakPolarHBondContact CA-OD2 3.27Å; R77-D179 WeakPolarHBondContact CB-OD2 3.19Å; R77-D179 PolarHBondContact N-OD2 3.24Å
78	R	98.4	Very high	97.3	Very high	20 Å²	20	34.8 Å²	34.8	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.4	-169.9	-58	-176.4	71.7	-166.7	12.2	112.1	E100 Y102 V174 F178 D179 I180	R78-E100 WeakPolarHBondContact CA-O 3.22Å; R78-E100 HydrophobicContact CG-CB 4.34Å; R78-E100 IonicContact NE-OE2 3.61Å; R78-Y102 PolarHBondContact NH2-OH 2.85Å; R78-V174 PolarHBondContact NH1-O 2.84Å; R78-V174 VanDerWaalsContact NH1-O 3.13Å; R78-V174 VanDerWaalsContact NH2-CG1 3.35Å; R78-V174 PolarHBondContact NH2-O 2.99Å; R78-F178 HydrophobicContact CB-CD1 3.81Å; R78-F178 HydrophobicContact CB-CE1 4.4Å; R78-D179 PolarHBondContact N-OD2 2.83Å; R78-D179 WeakPolarHBondContact O-CB 3.45Å; R78-D179 PolarHBondContact O-N 3.09Å; R78-I180 PolarHBondContact O-N 3.01Å
79	L	98.8	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	169.1	-176.6	152.5	0	0	0	110.2	D81 V90 F94 V98 E100 I101 Y102 I180 T182	L79-D81 HydrophobicContact CD2-CB 4.3Å; L79-V90 HydrophobicContact CD1-CG1 4.45Å; L79-V90 HydrophobicContact CD2-CG1 3.59Å; L79-F94 HydrophobicContact CD1-CB 3.87Å; L79-F94 HydrophobicContact CD1-CD1 3.47Å; L79-F94 VanDerWaalsContact CD1-CD1 3.47Å; L79-F94 HydrophobicContact CD1-CD2 3.78Å; L79-F94 HydrophobicContact CD1-CE1 3.86Å; L79-F94 HydrophobicContact CD1-CE2 4.13Å; L79-F94 HydrophobicContact CD1-CG 3.42Å; L79-F94 VanDerWaalsContact CD1-CG 3.42Å; L79-F94 HydrophobicContact CD1-CZ 4.17Å; L79-V98 HydrophobicContact CB-CB 4.35Å; L79-V98 HydrophobicContact CB-CG1 4.09Å; L79-V98 HydrophobicContact CB-CG2 4.06Å; L79-V98 HydrophobicContact CD1-CG1 4.3Å; L79-E100 PolarHBondContact N-O 3.25Å; L79-I101 HydrophobicContact CD2-CG2 4.15Å; L79-I101 WeakPolarHBondContact O-CA 3.35Å; L79-Y102 PolarHBondContact O-N 2.77Å; L79-I180 VanDerWaalsContact CA-O 3.28Å; L79-I180 WeakPolarHBondContact CA-O 3.31Å; L79-I180 HydrophobicContact CB-CB 4.33Å; L79-I180 HydrophobicContact CD1-CB 4.02Å; L79-I180 HydrophobicContact CD1-CD1 4.37Å; L79-I180 HydrophobicContact CD1-CG2 3.76Å; L79-I180 HydrophobicContact CG-CB 4.05Å; L79-I180 HydrophobicContact CG-CG2 4.05Å; L79-T182 HydrophobicContact CD1-CG2 4.12Å; L79-T182 HydrophobicContact CD2-CG2 4.42Å; L79-T182 HydrophobicContact CG-CG2 4.41Å
80	L	98.8	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.4	167.4	175	64.9	0	0	0	109.7	I82 Y102 L159 I169 F178 I180 V181 T182 L207	L80-I82 HydrophobicContact CD1-CD1 4.39Å; L80-I82 HydrophobicContact CD2-CD1 3.57Å; L80-I82 HydrophobicContact CD2-CG1 3.99Å; L80-I82 HydrophobicContact CG-CD1 3.91Å; L80-I82 HydrophobicContact CG-CG1 4.09Å; L80-Y102 WeakPolarHBondContact CA-O 3.17Å; L80-L159 HydrophobicContact CD1-CD1 4.35Å; L80-I169 HydrophobicContact CD1-CG2 4.41Å; L80-I169 HydrophobicContact CD2-CD1 4.3Å; L80-I169 HydrophobicContact CD2-CG2 3.92Å; L80-F178 HydrophobicContact CB-CB 4.28Å; L80-F178 HydrophobicContact CB-CD1 3.51Å; L80-F178 HydrophobicContact CB-CD2 3.82Å; L80-F178 HydrophobicContact CB-CE1 3.68Å; L80-F178 HydrophobicContact CB-CE2 3.98Å; L80-F178 HydrophobicContact CB-CG 3.58Å; L80-F178 HydrophobicContact CB-CZ 3.89Å; L80-F178 HydrophobicContact CD1-CZ 4.39Å; L80-F178 HydrophobicContact CD2-CD2 3.84Å; L80-F178 HydrophobicContact CD2-CE2 3.61Å; L80-F178 HydrophobicContact CD2-CG 4.45Å; L80-F178 HydrophobicContact CD2-CZ 4.03Å; L80-F178 HydrophobicContact CG-CD2 4.5Å; L80-F178 HydrophobicContact CG-CE2 4.34Å; L80-F178 HydrophobicContact CG-CZ 4.35Å; L80-I180 PolarHBondContact N-O 2.83Å; L80-V181 HydrophobicContact CB-CG2 4.5Å; L80-V181 CarbonylContact O-C 3.59Å; L80-V181 VanDerWaalsContact O-CA 3.26Å; L80-V181 WeakPolarHBondContact O-CA 3.02Å; L80-T182 PolarHBondContact O-N 3.42Å; L80-L207 HydrophobicContact CD2-CB 4.44Å; L80-L207 HydrophobicContact CD2-CD1 3.69Å
81	D	98.9	Very high	97.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.9	170.8	-170	33.5	0	0	0	109.5	L79 S84 V90 Y102 L103 S104 T182	L79-D81 HydrophobicContact CD2-CB 4.3Å; D81-S84 WeakPolarHBondContact CB-OG 3.46Å; D81-S84 PolarHBondContact O-OG 3.17Å; D81-S84 WeakPolarHBondContact OD2-CA 3.33Å; D81-S84 VanDerWaalsContact OD2-CB 3.23Å; D81-S84 WeakPolarHBondContact OD2-CB 3.37Å; D81-S84 PolarHBondContact OD2-OG 2.91Å; D81-V90 HydrophobicContact CB-CB 4.43Å; D81-V90 HydrophobicContact CB-CG1 3.98Å; D81-Y102 PolarHBondContact N-O 2.72Å; D81-L103 HydrophobicContact CB-CD2 4.05Å; D81-S104 PolarHBondContact O-N 2.84Å; D81-S104 PolarHBondContact O-OG 2.61Å; D81-T182 WeakPolarHBondContact CA-OG1 3.45Å; D81-T182 WeakPolarHBondContact CB-OG1 3.41Å; D81-T182 VanDerWaalsContact CG-OG1 3.27Å; D81-T182 PolarHBondContact OD1-OG1 2.83Å
82	I	98.7	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123	178.6	-70.1	-63.2	0	0	0	109.2	L80 S104 C161 I163 V168 I169 V181 T182 S183 V204 L207	L80-I82 HydrophobicContact CD1-CD1 4.39Å; L80-I82 HydrophobicContact CD2-CD1 3.57Å; L80-I82 HydrophobicContact CD2-CG1 3.99Å; L80-I82 HydrophobicContact CG-CD1 3.91Å; L80-I82 HydrophobicContact CG-CG1 4.09Å; I82-S104 WeakPolarHBondContact CA-OG 3.45Å; I82-C161 HydrophobicContact CD1-CB 4.44Å; I82-I163 HydrophobicContact CG2-CG2 3.5Å; I82-V168 HydrophobicContact CD1-CG1 4.09Å; I82-I169 HydrophobicContact CD1-CG2 4.04Å; I82-V181 HydrophobicContact CG1-CG1 3.86Å; I82-T182 PolarHBondContact N-O 3.02Å; I82-S183 WeakPolarHBondContact O-CA 3.35Å; I82-V204 HydrophobicContact CG2-CG2 4.04Å; I82-L207 HydrophobicContact CD1-CD1 3.8Å; I82-L207 HydrophobicContact CG1-CD1 4.19Å
83	G	98.6	Very high	98	Very high	13 Å²	13	20.4 Å²	20.4	13%	0.134	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	44.8	-179	0	0	0	0	0	112	G85 S104	G83-G85 PolarHBondContact O-N 2.96Å; G83-S104 CarbonylContact C-O 3.53Å; G83-S104 WeakPolarHBondContact CA-O 3.43Å; G83-S104 PolarHBondContact N-O 3.41Å
84	S	98.8	Very high	98.2	Very high	5 Å²	5	20 Å²	20	4%	0.035	9%	0.094	C	C	.	.			trans	-52.6	-22.9	176	-61.8	0	0	0	0	113.1	D81 T87 S104	D81-S84 WeakPolarHBondContact CB-OG 3.46Å; D81-S84 PolarHBondContact O-OG 3.17Å; D81-S84 WeakPolarHBondContact OD2-CA 3.33Å; D81-S84 VanDerWaalsContact OD2-CB 3.23Å; D81-S84 WeakPolarHBondContact OD2-CB 3.37Å; D81-S84 PolarHBondContact OD2-OG 2.91Å; S84-T87 WeakPolarHBondContact O-CB 3.3Å; S84-T87 PolarHBondContact O-N 3.19Å; S84-T87 PolarHBondContact O-OG1 2.7Å; S84-S104 PolarHBondContact N-O 3.28Å; S84-S104 PolarHBondContact OG-N 3.03Å; S84-S104 PolarHBondContact OG-O 2.97Å
85	G	98.3	Very high	98.3	Very high	8 Å²	8	17.5 Å²	17.5	8%	0.082	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-151.3	-168.3	0	0	0	0	0	110.4	G83 T87 D105 L114	G83-G85 PolarHBondContact O-N 2.96Å; G85-T87 PolarHBondContact O-N 2.96Å; G85-D105 WeakPolarHBondContact CA-OD2 3.24Å; G85-D105 PolarHBondContact N-OD2 2.6Å; G85-L114 WeakPolarHBondContact O-CD1 3.47Å
86	P	98.1	Very high	98.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.013	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	25.9	172.7	35.5	-35.7	0	0	0	112.9	P36 Y39 L40 L113 W126	P36-P86 HydrophobicContact CB-CB 3.8Å; P36-P86 HydrophobicContact CB-CG 3.84Å; Y39-P86 HydrophobicContact CD1-CG 3.79Å; Y39-P86 HydrophobicContact CE1-CG 4.35Å; L40-P86 HydrophobicContact CD1-CB 4.14Å; L40-P86 HydrophobicContact CD1-CG 4.29Å; L40-P86 HydrophobicContact CD2-CB 4.36Å; L40-P86 HydrophobicContact CD2-CG 3.86Å; L40-P86 HydrophobicContact CG-CB 4.2Å; L40-P86 HydrophobicContact CG-CG 3.79Å; P86-L113 HydrophobicContact CB-CB 4.17Å; P86-L113 HydrophobicContact CB-CD2 3.85Å; P86-W126 WeakPolarHBondContact O-CZ2 3.23Å
87	T	98.3	Very high	98.2	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.018	8%	0.076	C	C	.	.			trans	-113.7	153.7	-162.2	84.2	0	0	0	0	114.2	Y39 L40 Y44 S84 G85 H89 L114 W126	Y39-T87 HydrophobicContact CE1-CG2 3.91Å; L40-T87 HydrophobicContact CD2-CG2 4.1Å; Y44-T87 HydrophobicContact CE1-CG2 4.25Å; Y44-T87 HydrophobicContact CE2-CG2 3.76Å; Y44-T87 WeakPolarHBondContact OH-CG2 3.38Å; S84-T87 WeakPolarHBondContact O-CB 3.3Å; S84-T87 PolarHBondContact O-N 3.19Å; S84-T87 PolarHBondContact O-OG1 2.7Å; G85-T87 PolarHBondContact O-N 2.96Å; T87-H89 PolarHBondContact OG1-CE1 3.49Å; T87-H89 PolarHBondContact OG1-ND1 3.27Å; T87-H89 VanDerWaalsContact OG1-ND1 3.11Å; T87-L114 WeakPolarHBondContact O-CD2 3.29Å; T87-W126 HydrophobicContact CG2-CH2 4.36Å
88	V	98.1	Very high	98.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	5%	0.053	C	C	.	.			trans	-123.6	8.3	-170.6	-51.4	0	0	0	0	114.2	V90 P91 I92 L114 W117 W126	V88-V90 PolarHBondContact O-N 3.14Å; V88-P91 HydrophobicContact CB-CG 4.33Å; V88-P91 WeakPolarHBondContact O-CD 3.41Å; V88-P91 WeakPolarHBondContact O-CG 3.24Å; V88-I92 HydrophobicContact CG2-CG1 4.37Å; V88-I92 WeakPolarHBondContact O-CG1 3.42Å; V88-I92 PolarHBondContact O-N 3.02Å; V88-L114 HydrophobicContact CG1-CD2 4.22Å; V88-W117 HydrophobicContact CB-CD2 4.13Å; V88-W117 HydrophobicContact CB-CE3 4.4Å; V88-W117 HydrophobicContact CB-CH2 4.33Å; V88-W117 HydrophobicContact CB-CZ2 4.06Å; V88-W117 HydrophobicContact CB-CZ3 4.5Å; V88-W117 HydrophobicContact CG1-CB 4.32Å; V88-W117 HydrophobicContact CG1-CD2 3.48Å; V88-W117 VanDerWaalsContact CG1-CD2 3.48Å; V88-W117 HydrophobicContact CG1-CE3 3.81Å; V88-W117 HydrophobicContact CG1-CG 3.7Å; V88-W117 HydrophobicContact CG1-CZ2 4.33Å; V88-W117 HydrophobicContact CG1-CZ3 4.36Å; V88-W117 HydrophobicContact CG2-CZ2 4.37Å; V88-W126 HydrophobicContact CG1-CZ2 4.37Å; V88-W126 HydrophobicContact CG2-CB 4.3Å; V88-W126 HydrophobicContact CG2-CD2 3.36Å; V88-W126 HydrophobicContact CG2-CE3 3.67Å; V88-W126 HydrophobicContact CG2-CG 3.64Å; V88-W126 HydrophobicContact CG2-CH2 4.48Å; V88-W126 HydrophobicContact CG2-CZ2 4.21Å; V88-W126 HydrophobicContact CG2-CZ3 4.22Å
89	H	97.6	Very high	98.2	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-68.7	-34.5	-174.3	58.5	-86	0	0	0	112.9	Y44 L63 T87 I92 V93 L133 F184	Y44-H89 AromaticContact CE1-ND1 3.95Å; L63-H89 HydrophobicContact CD2-CB 3.57Å; T87-H89 PolarHBondContact OG1-CE1 3.49Å; T87-H89 PolarHBondContact OG1-ND1 3.27Å; T87-H89 VanDerWaalsContact OG1-ND1 3.11Å; H89-I92 PolarHBondContact O-N 3.4Å; H89-V93 WeakPolarHBondContact O-CG2 3.24Å; H89-V93 PolarHBondContact O-N 3.21Å; H89-L133 HydrophobicContact CB-CD1 3.92Å; H89-F184 AromaticContact NE2-CD2 3.28Å; H89-F184 VanDerWaalsContact NE2-CD2 3.28Å; H89-F184 WeakPolarHBondContact NE2-CD2 3.37Å; H89-F184 AromaticContact NE2-CE2 3.8Å
90	V	98.7	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-56	174	171	0	0	0	0	112.6	L79 D81 V88 I92 V93 F94 F184	L79-V90 HydrophobicContact CD1-CG1 4.45Å; L79-V90 HydrophobicContact CD2-CG1 3.59Å; D81-V90 HydrophobicContact CB-CB 4.43Å; D81-V90 HydrophobicContact CB-CG1 3.98Å; V88-V90 PolarHBondContact O-N 3.14Å; V90-I92 PolarHBondContact O-N 3.45Å; V90-V93 PolarHBondContact O-N 3.38Å; V90-F94 HydrophobicContact CG1-CD2 4.09Å; V90-F94 WeakPolarHBondContact O-CD2 3.48Å; V90-F94 PolarHBondContact O-N 2.94Å; V90-F184 HydrophobicContact CG2-CD2 3.9Å; V90-F184 HydrophobicContact CG2-CE2 3.41Å; V90-F184 VanDerWaalsContact CG2-CE2 3.41Å; V90-F184 HydrophobicContact CG2-CZ 4.42Å
91	P	98.7	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-31.9	-179.8	22.6	-32.5	0	0	0	112.2	V88 R95 I101 L103 W117 A151 V155	V88-P91 HydrophobicContact CB-CG 4.33Å; V88-P91 WeakPolarHBondContact O-CD 3.41Å; V88-P91 WeakPolarHBondContact O-CG 3.24Å; P91-R95 WeakPolarHBondContact O-CB 3.47Å; P91-R95 PolarHBondContact O-N 3.25Å; P91-R95 VanDerWaalsContact O-N 3.16Å; P91-I101 HydrophobicContact CB-CD1 4.09Å; P91-I101 HydrophobicContact CB-CG2 4.24Å; P91-L103 HydrophobicContact CB-CD2 4.41Å; P91-L103 HydrophobicContact CG-CD1 4.2Å; P91-L103 HydrophobicContact CG-CD2 4.01Å; P91-W117 HydrophobicContact CB-CH2 4.45Å; P91-W117 HydrophobicContact CG-CH2 4.21Å; P91-W117 HydrophobicContact CG-CZ3 4.29Å; P91-A151 HydrophobicContact CB-CB 4.22Å; P91-A151 VanDerWaalsContact O-CB 3.3Å; P91-A151 WeakPolarHBondContact O-CB 3.43Å; P91-V155 HydrophobicContact CB-CG2 3.89Å
92	I	98.5	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-57.6	173.4	-64.3	-71.9	0	0	0	110.8	V88 H89 V90 F94 R95 W117 V130 L133 E148 A151	V88-I92 HydrophobicContact CG2-CG1 4.37Å; V88-I92 WeakPolarHBondContact O-CG1 3.42Å; V88-I92 PolarHBondContact O-N 3.02Å; H89-I92 PolarHBondContact O-N 3.4Å; V90-I92 PolarHBondContact O-N 3.45Å; I92-F94 VanDerWaalsContact C-N 3.34Å; I92-F94 PolarHBondContact O-N 3.16Å; I92-R95 WeakPolarHBondContact O-CB 3.18Å; I92-R95 WeakPolarHBondContact O-CD 3.32Å; I92-R95 WeakPolarHBondContact O-CG 3.49Å; I92-R95 PolarHBondContact O-N 3.24Å; I92-R95 PolarHBondContact O-NH1 2.74Å; I92-W117 HydrophobicContact CD1-CZ2 4.29Å; I92-V130 HydrophobicContact CD1-CG1 4.43Å; I92-V130 HydrophobicContact CD1-CG2 3.98Å; I92-V130 HydrophobicContact CG1-CG2 4.16Å; I92-V130 HydrophobicContact CG2-CG1 4.37Å; I92-L133 HydrophobicContact CB-CD1 4.23Å; I92-L133 HydrophobicContact CG2-CB 4.42Å; I92-L133 HydrophobicContact CG2-CD1 3.85Å; I92-E148 HydrophobicContact CD1-CB 4.41Å; I92-E148 HydrophobicContact CD1-CG 3.86Å; I92-A151 HydrophobicContact CD1-CB 3.78Å; I92-A151 HydrophobicContact CG1-CB 4.38Å
93	V	98.5	Very high	98.2	Very high	8 Å²	8	16.2 Å²	16.2	5%	0.048	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-40.7	-175.4	172.1	0	0	0	0	112	L66 P67 A70 H89 V90 L133	L66-V93 HydrophobicContact CD2-CB 4.38Å; L66-V93 HydrophobicContact CD2-CG2 4.08Å; L66-V93 HydrophobicContact CG-CB 4.38Å; L66-V93 HydrophobicContact CG-CG1 4.13Å; L66-V93 HydrophobicContact CG-CG2 4.22Å; P67-V93 HydrophobicContact CB-CG1 4.43Å; P67-V93 HydrophobicContact CG-CG1 4.36Å; P67-V93 HydrophobicContact CG-CG2 3.87Å; A70-V93 HydrophobicContact CB-CG1 3.45Å; A70-V93 VanDerWaalsContact CB-CG1 3.45Å; H89-V93 WeakPolarHBondContact O-CG2 3.24Å; H89-V93 PolarHBondContact O-N 3.21Å; V90-V93 PolarHBondContact O-N 3.38Å; V93-L133 HydrophobicContact CG2-CD1 4.14Å; V93-L133 HydrophobicContact CG2-CD2 3.86Å; V93-L133 HydrophobicContact CG2-CG 4.41Å
94	F	98.6	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-87.5	-2.2	-174.6	-74.2	-90.2	0	0	0	114.5	L66 A70 L73 L79 V90 I92 R96 K97 V98 I101 I180 T182	L66-F94 HydrophobicContact CD1-CE2 4.05Å; A70-F94 HydrophobicContact CB-CD1 4.23Å; A70-F94 HydrophobicContact CB-CE1 3.74Å; A70-F94 HydrophobicContact CB-CE2 4.16Å; A70-F94 HydrophobicContact CB-CZ 3.7Å; L73-F94 HydrophobicContact CD1-CE1 3.89Å; L73-F94 HydrophobicContact CD1-CZ 4.19Å; L79-F94 HydrophobicContact CD1-CB 3.87Å; L79-F94 HydrophobicContact CD1-CD1 3.47Å; L79-F94 VanDerWaalsContact CD1-CD1 3.47Å; L79-F94 HydrophobicContact CD1-CD2 3.78Å; L79-F94 HydrophobicContact CD1-CE1 3.86Å; L79-F94 HydrophobicContact CD1-CE2 4.13Å; L79-F94 HydrophobicContact CD1-CG 3.42Å; L79-F94 VanDerWaalsContact CD1-CG 3.42Å; L79-F94 HydrophobicContact CD1-CZ 4.17Å; V90-F94 HydrophobicContact CG1-CD2 4.09Å; V90-F94 WeakPolarHBondContact O-CD2 3.48Å; V90-F94 PolarHBondContact O-N 2.94Å; I92-F94 VanDerWaalsContact C-N 3.34Å; I92-F94 PolarHBondContact O-N 3.16Å; F94-R96 PolarHBondContact O-N 3.41Å; F94-K97 HydrophobicContact CD1-CB 4.15Å; F94-K97 PolarHBondContact O-N 3.24Å; F94-V98 HydrophobicContact CB-CG2 4.04Å; F94-V98 HydrophobicContact CD1-CG1 4.28Å; F94-V98 PolarHBondContact O-N 3.38Å; F94-V98 VanDerWaalsContact O-N 3.13Å; F94-I101 HydrophobicContact CB-CD1 4.26Å; F94-I180 HydrophobicContact CD1-CD1 4.28Å; F94-I180 HydrophobicContact CE1-CD1 3.95Å; F94-T182 HydrophobicContact CE2-CG2 4.21Å; F94-T182 HydrophobicContact CZ-CG2 4.37Å
95	R	97.8	Very high	98.2	Very high	5 Å²	5	16 Å²	16	2%	0.019	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-26.1	-174.1	74.2	-163.1	-179.3	-73.4	-3.1	115.7	P91 I92 E137 A147 Q150 A151 K154	P91-R95 WeakPolarHBondContact O-CB 3.47Å; P91-R95 PolarHBondContact O-N 3.25Å; P91-R95 VanDerWaalsContact O-N 3.16Å; I92-R95 WeakPolarHBondContact O-CB 3.18Å; I92-R95 WeakPolarHBondContact O-CD 3.32Å; I92-R95 WeakPolarHBondContact O-CG 3.49Å; I92-R95 PolarHBondContact O-N 3.24Å; I92-R95 PolarHBondContact O-NH1 2.74Å; R95-E137 IonicContact CZ-OE1 3.8Å; R95-E137 IonicContact CZ-OE2 2.78Å; R95-E137 VanDerWaalsContact CZ-OE2 3.27Å; R95-E137 VanDerWaalsContact NH1-CD 3.28Å; R95-E137 IonicContact NH1-OE1 3.9Å; R95-E137 PolarHBondContact NH1-OE1 2.94Å; R95-E137 IonicContact NH1-OE2 2.58Å; R95-E137 PolarHBondContact NH1-OE2 2.8Å; R95-E137 IonicContact NH2-OE1 3.41Å; R95-E137 IonicContact NH2-OE2 2.73Å; R95-E137 PolarHBondContact NH2-OE2 3.37Å; R95-A147 WeakPolarHBondContact CD-O 3.18Å; R95-Q150 HydrophobicContact CB-CB 4.3Å; R95-Q150 HydrophobicContact CG-CB 4.2Å; R95-A151 HydrophobicContact CB-CB 4.12Å; R95-K154 VanDerWaalsContact O-CE 3.23Å; R95-K154 WeakPolarHBondContact O-CE 3.49Å
96	R	95.6	Very high	98.2	Very high	112 Å²	112	21.4 Å²	21.4	42%	0.423	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-8.9	178.7	-61	-174.5	-173.9	157.1	1.7	114.4	R75 F94 D139	R75-R96 PolarHBondContact NH1-O 2.87Å; F94-R96 PolarHBondContact O-N 3.41Å; R96-D139 IonicContact CZ-OD2 3.44Å; R96-D139 IonicContact NH1-OD2 3.44Å; R96-D139 PolarHBondContact NH1-OD2 3.3Å; R96-D139 IonicContact NH2-OD2 3.67Å; R96-D139 PolarHBondContact NH2-OD2 3.36Å
97	K	96.5	Very high	98.2	Very high	55 Å²	55	21.5 Å²	21.5	24%	0.239	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-25.4	-176.4	-75.4	-70.5	-171.3	160.7	0	113.2	A70 A71 L73 R75 C76 F94	A70-K97 WeakPolarHBondContact O-CE 3.3Å; A70-K97 PolarHBondContact O-NZ 3.04Å; A71-K97 PolarHBondContact O-NZ 3.24Å; L73-K97 PolarHBondContact O-NZ 3.28Å; R75-K97 WeakPolarHBondContact CA-O 3.39Å; R75-K97 WeakPolarHBondContact CG-O 3.26Å; C76-K97 PolarHBondContact N-O 2.69Å; F94-K97 HydrophobicContact CD1-CB 4.15Å; F94-K97 PolarHBondContact O-N 3.24Å
98	V	98.1	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.7	-177.2	-52.3	0	0	0	0	112.8	C76 L79 F94 I101 K154 I180	C76-V98 HydrophobicContact CB-CG1 4.03Å; C76-V98 VanDerWaalsContact O-CA 3.3Å; C76-V98 WeakPolarHBondContact O-CA 3.17Å; L79-V98 HydrophobicContact CB-CB 4.35Å; L79-V98 HydrophobicContact CB-CG1 4.09Å; L79-V98 HydrophobicContact CB-CG2 4.06Å; L79-V98 HydrophobicContact CD1-CG1 4.3Å; F94-V98 HydrophobicContact CB-CG2 4.04Å; F94-V98 HydrophobicContact CD1-CG1 4.28Å; F94-V98 PolarHBondContact O-N 3.38Å; F94-V98 VanDerWaalsContact O-N 3.13Å; V98-I101 HydrophobicContact CG2-CD1 3.64Å; V98-I101 HydrophobicContact CG2-CG1 3.32Å; V98-K154 WeakPolarHBondContact O-CD 3.23Å; V98-K154 WeakPolarHBondContact O-CE 3.38Å; V98-K154 PolarHBondContact O-NZ 2.91Å; V98-I180 HydrophobicContact CG1-CD1 4.04Å
99	D	98.2	Very high	98.2	Very high	63 Å²	63	26 Å²	26	34%	0.337	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-34.4	-178.2	-63.3	-37	0	0	0	112.1	R75 C76 R77 K154	R75-D99 IonicContact CZ-OD1 3.49Å; R75-D99 IonicContact NE-OD1 3.97Å; R75-D99 IonicContact NH2-OD1 3.43Å; R75-D99 PolarHBondContact NH2-OD1 3.39Å; C76-D99 PolarHBondContact O-N 3.18Å; R77-D99 HydrophobicContact CG-CB 4.39Å; R77-D99 CarbonylContact O-C 3.6Å; R77-D99 PolarHBondContact O-N 3.19Å; D99-K154 WeakPolarHBondContact O-CD 3.49Å; D99-K154 IonicContact OD1-NZ 3.62Å
100	E	98.5	Very high	98.2	Very high	37 Å²	37	26 Å²	26	17%	0.173	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.9	-178.8	-62	168.8	-140.8	0	0	110.3	R77 R78 L79 Y102 Q156	R77-E100 IonicContact CZ-OE1 3.93Å; R77-E100 IonicContact NH1-OE1 2.75Å; R77-E100 PolarHBondContact NH1-OE1 2.97Å; R77-E100 IonicContact NH1-OE2 2.65Å; R77-E100 PolarHBondContact O-N 3.16Å; R78-E100 WeakPolarHBondContact CA-O 3.22Å; R78-E100 HydrophobicContact CG-CB 4.34Å; R78-E100 IonicContact NE-OE2 3.61Å; L79-E100 PolarHBondContact N-O 3.25Å; E100-Y102 HydrophobicContact CB-CD2 4.49Å; E100-Y102 HydrophobicContact CB-CE2 3.73Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.5Å; E100-Y102 PolarHBondContact OE2-OH 3.41Å; E100-Q156 HydrophobicContact CB-CG 3.71Å; E100-Q156 HydrophobicContact CG-CG 3.91Å
101	I	98.8	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.6	175.5	-60	179	0	0	0	109.1	L79 P91 F94 V98 L103 K154 V155 Q156	L79-I101 HydrophobicContact CD2-CG2 4.15Å; L79-I101 WeakPolarHBondContact O-CA 3.35Å; P91-I101 HydrophobicContact CB-CD1 4.09Å; P91-I101 HydrophobicContact CB-CG2 4.24Å; F94-I101 HydrophobicContact CB-CD1 4.26Å; V98-I101 HydrophobicContact CG2-CD1 3.64Å; V98-I101 HydrophobicContact CG2-CG1 3.32Å; I101-L103 HydrophobicContact CG2-CD2 3.72Å; I101-L103 HydrophobicContact CG2-CG 4.36Å; I101-K154 HydrophobicContact CB-CB 4.41Å; I101-K154 HydrophobicContact CD1-CB 3.78Å; I101-K154 HydrophobicContact CG1-CB 3.9Å; I101-K154 PolarHBondContact N-O 3.15Å; I101-V155 HydrophobicContact CB-CG2 4.3Å; I101-V155 HydrophobicContact CG2-CG2 4.29Å; I101-V155 CarbonylContact O-C 3.57Å; I101-V155 VanDerWaalsContact O-CA 3.29Å; I101-V155 WeakPolarHBondContact O-CA 3.42Å; I101-Q156 PolarHBondContact O-N 2.99Å
102	Y	98.7	Very high	98.2	Very high	25 Å²	25	30.8 Å²	30.8	10%	0.098	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.4	174.2	-62.5	-103.8	0	0	0	106.6	R78 L79 L80 D81 E100 Q156 S157 L159 V174 F178	R78-Y102 PolarHBondContact NH2-OH 2.85Å; L79-Y102 PolarHBondContact O-N 2.77Å; L80-Y102 WeakPolarHBondContact CA-O 3.17Å; D81-Y102 PolarHBondContact N-O 2.72Å; E100-Y102 HydrophobicContact CB-CD2 4.49Å; E100-Y102 HydrophobicContact CB-CE2 3.73Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.5Å; E100-Y102 PolarHBondContact OE2-OH 3.41Å; Y102-Q156 HydrophobicContact CD1-CB 4.25Å; Y102-Q156 HydrophobicContact CE1-CB 3.8Å; Y102-Q156 HydrophobicContact CE1-CG 4.4Å; Y102-Q156 HydrophobicContact CE2-CB 4.29Å; Y102-Q156 HydrophobicContact CE2-CG 4.09Å; Y102-S157 WeakPolarHBondContact CD1-OG 3.34Å; Y102-L159 HydrophobicContact CD1-CD1 4.07Å; Y102-V174 HydrophobicContact CD1-CG1 3.74Å; Y102-V174 HydrophobicContact CE1-CG1 3.64Å; Y102-F178 HydrophobicContact CD2-CD1 4.4Å; Y102-F178 AromaticContact CD2-CE1 3.56Å; Y102-F178 HydrophobicContact CD2-CE1 3.56Å; Y102-F178 HydrophobicContact CD2-CZ 4.44Å; Y102-F178 HydrophobicContact CE2-CE1 4.02Å; Y102-F178 AromaticContact CG-CE1 3.91Å; Y102-F178 HydrophobicContact CG-CE1 3.91Å; Y102-F178 HydrophobicContact CG-CZ 4.41Å
103	L	98.8	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.3	174.5	-53.6	178.4	0	0	0	107.9	D81 P91 I101 L114 V155 S157 V158 L159	D81-L103 HydrophobicContact CB-CD2 4.05Å; P91-L103 HydrophobicContact CB-CD2 4.41Å; P91-L103 HydrophobicContact CG-CD1 4.2Å; P91-L103 HydrophobicContact CG-CD2 4.01Å; I101-L103 HydrophobicContact CG2-CD2 3.72Å; I101-L103 HydrophobicContact CG2-CG 4.36Å; L103-L114 HydrophobicContact CB-CD1 4.02Å; L103-L114 HydrophobicContact CD1-CD1 4.25Å; L103-L114 HydrophobicContact CD1-CD2 4.22Å; L103-V155 HydrophobicContact CD1-CG1 4.13Å; L103-V155 HydrophobicContact CD1-CG2 4.13Å; L103-V155 HydrophobicContact CG-CG1 4.18Å; L103-V155 HydrophobicContact CG-CG2 4.38Å; L103-S157 PolarHBondContact N-O 3.23Å; L103-S157 VanDerWaalsContact N-O 3.09Å; L103-V158 HydrophobicContact CB-CG2 4.43Å; L103-V158 CarbonylContact O-C 3.56Å; L103-V158 WeakPolarHBondContact O-CA 3.48Å; L103-L159 PolarHBondContact O-N 3.1Å
104	S	98.7	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	144.1	179.4	69.8	0	0	0	0	112.4	D81 I82 G83 S84 L159	D81-S104 PolarHBondContact O-N 2.84Å; D81-S104 PolarHBondContact O-OG 2.61Å; I82-S104 WeakPolarHBondContact CA-OG 3.45Å; G83-S104 CarbonylContact C-O 3.53Å; G83-S104 WeakPolarHBondContact CA-O 3.43Å; G83-S104 PolarHBondContact N-O 3.41Å; S84-S104 PolarHBondContact N-O 3.28Å; S84-S104 PolarHBondContact OG-N 3.03Å; S84-S104 PolarHBondContact OG-O 2.97Å; S104-L159 VanDerWaalsContact CA-O 3.29Å; S104-L159 WeakPolarHBondContact CA-O 3.4Å
105	D	98.8	Very high	98.2	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.7	175	-162.2	-96.8	0	0	0	110.8	G85 L107 N110 R111 L159 C161	G85-D105 WeakPolarHBondContact CA-OD2 3.24Å; G85-D105 PolarHBondContact N-OD2 2.6Å; D105-L107 WeakPolarHBondContact OD1-CB 3.4Å; D105-L107 PolarHBondContact OD1-N 2.89Å; D105-N110 HydrophobicContact CB-CB 4.07Å; D105-N110 VanDerWaalsContact OD1-CB 3.28Å; D105-N110 WeakPolarHBondContact OD1-CB 3.23Å; D105-N110 PolarHBondContact OD1-ND2 2.83Å; D105-R111 HydrophobicContact CB-CG 3.93Å; D105-R111 WeakPolarHBondContact O-CD 3.33Å; D105-R111 PolarHBondContact O-NH1 2.87Å; D105-L159 PolarHBondContact N-O 3.32Å; D105-C161 VanDerWaalsContact CA-SG 3.54Å; D105-C161 PolarHBondContact O-N 3.33Å
106	Y	98.4	Very high	98.2	Very high	121 Å²	121	37.5 Å²	37.5	48%	0.475	17%	0.166	S	C	.	.	S	Bend	trans	-66.9	-37.7	176.1	-178	-100.1	0	0	0	111.8	R111 C161 D162	Y106-R111 PolarHBondContact O-NH1 3.39Å; Y106-C161 VanDerWaalsContact CA-O 3.24Å; Y106-C161 WeakPolarHBondContact CA-O 3.41Å; Y106-C161 WeakPolarHBondContact CD2-O 3.49Å; Y106-D162 HydrophobicContact CD2-CB 4.14Å; Y106-D162 HydrophobicContact CE2-CB 4.24Å
107	L	98.5	Very high	98.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	15%	0.147	C	C	.	.			trans	-88.6	125.5	-171.6	-63.5	177.3	0	0	0	113	F34 D105 Q109 N110 R111	F34-L107 HydrophobicContact CB-CD1 3.49Å; F34-L107 VanDerWaalsContact CB-CD1 3.49Å; F34-L107 HydrophobicContact CD1-CD1 3.79Å; F34-L107 HydrophobicContact CD2-CD1 4.1Å; F34-L107 HydrophobicContact CG-CD1 3.53Å; D105-L107 WeakPolarHBondContact OD1-CB 3.4Å; D105-L107 PolarHBondContact OD1-N 2.89Å; L107-Q109 VanDerWaalsContact C-N 3.25Å; L107-Q109 HydrophobicContact CB-CG 4.28Å; L107-Q109 PolarHBondContact O-N 3.32Å; L107-N110 HydrophobicContact CB-CB 4.21Å; L107-N110 PolarHBondContact O-N 3.23Å; L107-R111 PolarHBondContact O-N 2.85Å; L107-R111 PolarHBondContact O-NH1 3.49Å
108	P	98.2	Very high	98.5	Very high	53 Å²	53	32.2 Å²	32.2	34%	0.344	15%	0.148	S	C	.	.	H	α-helix	trans	-55.1	-38.2	176.1	-24.9	33.3	0	0	0	113.7	R111 E112	P108-R111 PolarHBondContact O-N 3.38Å; P108-E112 PolarHBondContact O-N 2.9Å
109	Q	98	Very high	98.4	Very high	47 Å²	47	39 Å²	39	22%	0.22	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-38	179.6	58.9	-91.2	37.8	0	0	113	Y30 Q31 F34 P36 L107 E112 L113	Y30-Q109 PolarHBondContact O-NE2 2.82Å; Q31-Q109 PolarHBondContact O-NE2 3.45Å; Q31-Q109 VanDerWaalsContact O-NE2 3.16Å; F34-Q109 PolarHBondContact O-NE2 3.05Å; P36-Q109 HydrophobicContact CG-CB 4.41Å; P36-Q109 HydrophobicContact CG-CG 4.35Å; L107-Q109 VanDerWaalsContact C-N 3.25Å; L107-Q109 HydrophobicContact CB-CG 4.28Å; L107-Q109 PolarHBondContact O-N 3.32Å; Q109-E112 PolarHBondContact O-N 2.84Å; Q109-L113 WeakPolarHBondContact O-CD1 3.34Å; Q109-L113 PolarHBondContact O-N 3.34Å
110	N	98.5	Very high	98.3	Very high	3 Å²	3	42 Å²	42	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-48.4	174.8	-74.2	-8.6	0	0	0	110.5	F34 P36 D105 L107 E112 L113 L114	F34-N110 WeakPolarHBondContact CE1-OD1 3.35Å; P36-N110 WeakPolarHBondContact CB-OD1 3.39Å; D105-N110 HydrophobicContact CB-CB 4.07Å; D105-N110 VanDerWaalsContact OD1-CB 3.28Å; D105-N110 WeakPolarHBondContact OD1-CB 3.23Å; D105-N110 PolarHBondContact OD1-ND2 2.83Å; L107-N110 HydrophobicContact CB-CB 4.21Å; L107-N110 PolarHBondContact O-N 3.23Å; N110-E112 PolarHBondContact O-N 2.95Å; N110-L113 PolarHBondContact O-N 2.69Å; N110-L113 VanDerWaalsContact O-N 3.14Å; N110-L114 PolarHBondContact O-N 2.98Å; N110-L114 VanDerWaalsContact O-N 3.16Å
111	R	98.6	Very high	98.2	Very high	33 Å²	33	45.3 Å²	45.3	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-36	176.9	-62.6	-164.2	-61.8	-78.1	3.2	112.3	D105 Y106 L107 P108 L114 R115 V158 L159	D105-R111 HydrophobicContact CB-CG 3.93Å; D105-R111 WeakPolarHBondContact O-CD 3.33Å; D105-R111 PolarHBondContact O-NH1 2.87Å; Y106-R111 PolarHBondContact O-NH1 3.39Å; L107-R111 PolarHBondContact O-N 2.85Å; L107-R111 PolarHBondContact O-NH1 3.49Å; P108-R111 PolarHBondContact O-N 3.38Å; R111-L114 PolarHBondContact O-N 2.9Å; R111-R115 WeakPolarHBondContact O-CG 3.35Å; R111-R115 PolarHBondContact O-N 2.82Å; R111-V158 HydrophobicContact CB-CG1 3.73Å; R111-V158 HydrophobicContact CG-CG1 3.94Å; R111-L159 WeakPolarHBondContact CD-O 3.2Å
112	E	98.3	Very high	97.9	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.318	22%	0.216	S	C	.	.	H	α-helix	trans	-67.6	-38.7	178.5	-174	54.4	-157.3	0	0	112.6	P108 Q109 N110 L114 R115 K116 R119	P108-E112 PolarHBondContact O-N 2.9Å; Q109-E112 PolarHBondContact O-N 2.84Å; N110-E112 PolarHBondContact O-N 2.95Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 2.85Å; E112-R115 PolarHBondContact O-N 3.27Å; E112-R115 IonicContact OE2-NH1 2.7Å; E112-R115 PolarHBondContact OE2-NH1 2.82Å; E112-K116 WeakPolarHBondContact O-CG 3.44Å; E112-K116 PolarHBondContact O-N 3.19Å; E112-R119 IonicContact OE1-CZ 2.75Å; E112-R119 IonicContact OE1-NH2 3.82Å; E112-R119 PolarHBondContact OE1-NH2 3.43Å
113	L	98.2	Very high	97.6	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-39.3	174	-93.2	63.7	0	0	0	111.9	P36 Y37 L40 P86 Q109 N110 R115 K116 W117	P36-L113 HydrophobicContact CB-CD2 3.73Å; P36-L113 HydrophobicContact CG-CD1 4.21Å; P36-L113 HydrophobicContact CG-CD2 3.89Å; Y37-L113 HydrophobicContact CD1-CD2 4.45Å; Y37-L113 HydrophobicContact CD2-CD2 4.48Å; Y37-L113 HydrophobicContact CE1-CD2 4.05Å; Y37-L113 HydrophobicContact CE2-CD1 4.15Å; Y37-L113 HydrophobicContact CE2-CD2 4.1Å; Y37-L113 HydrophobicContact CE2-CG 4.42Å; L40-L113 HydrophobicContact CD1-CD2 4.13Å; P86-L113 HydrophobicContact CB-CB 4.17Å; P86-L113 HydrophobicContact CB-CD2 3.85Å; Q109-L113 WeakPolarHBondContact O-CD1 3.34Å; Q109-L113 PolarHBondContact O-N 3.34Å; N110-L113 PolarHBondContact O-N 2.69Å; N110-L113 VanDerWaalsContact O-N 3.14Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 2.81Å; L113-K116 WeakPolarHBondContact O-CB 3.45Å; L113-K116 PolarHBondContact O-N 3.4Å; L113-W117 PolarHBondContact O-N 3.33Å
114	L	98.7	Very high	97.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-43.2	172.4	-63.4	176.3	0	0	0	111.7	G85 T87 V88 L103 N110 R111 E112 W117 L118 V158	G85-L114 WeakPolarHBondContact O-CD1 3.47Å; T87-L114 WeakPolarHBondContact O-CD2 3.29Å; V88-L114 HydrophobicContact CG1-CD2 4.22Å; L103-L114 HydrophobicContact CB-CD1 4.02Å; L103-L114 HydrophobicContact CD1-CD1 4.25Å; L103-L114 HydrophobicContact CD1-CD2 4.22Å; N110-L114 PolarHBondContact O-N 2.98Å; N110-L114 VanDerWaalsContact O-N 3.16Å; R111-L114 PolarHBondContact O-N 2.9Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 2.85Å; L114-W117 PolarHBondContact O-N 3.36Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-V158 HydrophobicContact CB-CG1 4.01Å; L114-V158 HydrophobicContact CB-CG2 4Å; L114-V158 HydrophobicContact CD1-CG1 3.83Å
115	R	98.7	Very high	97.1	Very high	81 Å²	81	56.3 Å²	56.3	31%	0.306	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-36.8	175.6	-69.5	-175.6	-158.9	96.8	9.8	112.9	R111 E112 L113 R119 V158	R111-R115 WeakPolarHBondContact O-CG 3.35Å; R111-R115 PolarHBondContact O-N 2.82Å; E112-R115 PolarHBondContact O-N 3.27Å; E112-R115 IonicContact OE2-NH1 2.7Å; E112-R115 PolarHBondContact OE2-NH1 2.82Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 2.81Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.48Å; R115-R119 VanDerWaalsContact O-N 3.16Å; R115-R119 PolarHBondContact O-NE 3.24Å; R115-V158 HydrophobicContact CG-CB 4.22Å; R115-V158 HydrophobicContact CG-CG2 4.17Å; R115-V158 PolarHBondContact NH2-O 3.06Å
116	K	98.4	Very high	96.9	Very high	60 Å²	60	56 Å²	56	26%	0.261	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-44.8	171.8	-77.5	-176.7	174.4	-168.7	0	110.9	E112 L113 L118 R119 N120 D121 E122	E112-K116 WeakPolarHBondContact O-CG 3.44Å; E112-K116 PolarHBondContact O-N 3.19Å; L113-K116 WeakPolarHBondContact O-CB 3.45Å; L113-K116 PolarHBondContact O-N 3.4Å; K116-L118 VanDerWaalsContact C-N 3.35Å; K116-L118 PolarHBondContact O-N 3.1Å; K116-R119 CarbonylContact O-C 3.47Å; K116-R119 WeakPolarHBondContact O-CA 3.3Å; K116-R119 PolarHBondContact O-N 3.27Å; K116-N120 PolarHBondContact O-N 2.68Å; K116-D121 WeakPolarHBondContact CB-O 3.18Å; K116-D121 PolarHBondContact O-N 3.05Å; K116-E122 HydrophobicContact CB-CB 3.82Å; K116-E122 HydrophobicContact CB-CG 3.93Å
117	W	98.3	Very high	96.7	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-43	178.1	172.5	76.7	0	0	0	112	V88 P91 I92 L113 L114 R119 N120 E122 W126 E148 A151 K152 V155	V88-W117 HydrophobicContact CB-CD2 4.13Å; V88-W117 HydrophobicContact CB-CE3 4.4Å; V88-W117 HydrophobicContact CB-CH2 4.33Å; V88-W117 HydrophobicContact CB-CZ2 4.06Å; V88-W117 HydrophobicContact CB-CZ3 4.5Å; V88-W117 HydrophobicContact CG1-CB 4.32Å; V88-W117 HydrophobicContact CG1-CD2 3.48Å; V88-W117 VanDerWaalsContact CG1-CD2 3.48Å; V88-W117 HydrophobicContact CG1-CE3 3.81Å; V88-W117 HydrophobicContact CG1-CG 3.7Å; V88-W117 HydrophobicContact CG1-CZ2 4.33Å; V88-W117 HydrophobicContact CG1-CZ3 4.36Å; V88-W117 HydrophobicContact CG2-CZ2 4.37Å; P91-W117 HydrophobicContact CB-CH2 4.45Å; P91-W117 HydrophobicContact CG-CH2 4.21Å; P91-W117 HydrophobicContact CG-CZ3 4.29Å; I92-W117 HydrophobicContact CD1-CZ2 4.29Å; L113-W117 PolarHBondContact O-N 3.33Å; L114-W117 PolarHBondContact O-N 3.36Å; W117-R119 PolarHBondContact O-N 3.05Å; W117-N120 PolarHBondContact O-N 3.32Å; W117-N120 VanDerWaalsContact O-N 3.12Å; W117-E122 HydrophobicContact CB-CB 4.14Å; W117-E122 HydrophobicContact CB-CG 4.35Å; W117-W126 AromaticContact CD1-CD1 3.93Å; W117-E148 HydrophobicContact CZ2-CB 4.44Å; W117-E148 HydrophobicContact CZ2-CG 4.33Å; W117-E148 PolarHBondContact NE1-OE2 3.15Å; W117-A151 HydrophobicContact CH2-CB 4.01Å; W117-K152 HydrophobicContact CD2-CG 4.49Å; W117-K152 HydrophobicContact CE3-CG 4.23Å; W117-K152 HydrophobicContact CH2-CD 4.49Å; W117-K152 HydrophobicContact CH2-CG 3.52Å; W117-K152 HydrophobicContact CZ2-CD 4.31Å; W117-K152 VanDerWaalsContact CZ2-CE 3.42Å; W117-K152 HydrophobicContact CZ2-CG 3.79Å; W117-K152 HydrophobicContact CZ3-CG 3.76Å; W117-K152 WeakPolarHBondContact O-CE 3.43Å; W117-K152 PolarHBondContact O-NZ 3.44Å; W117-K152 VanDerWaalsContact O-NZ 3.09Å; W117-V155 HydrophobicContact CZ3-CG2 4.46Å
118	L	98.3	Very high	96.4	Very high	49 Å²	49	53.8 Å²	53.8	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-33.6	173.8	-70.5	169.8	0	0	0	112.8	L114 K116 K152 V155 V158	L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.93Å; K116-L118 VanDerWaalsContact C-N 3.35Å; K116-L118 PolarHBondContact O-N 3.1Å; L118-K152 HydrophobicContact CD2-CB 4.22Å; L118-K152 HydrophobicContact CD2-CG 4.12Å; L118-V155 HydrophobicContact CD1-CG1 3.95Å; L118-V155 HydrophobicContact CD2-CB 3.73Å; L118-V155 HydrophobicContact CD2-CG1 3.89Å; L118-V155 HydrophobicContact CD2-CG2 4.08Å; L118-V158 HydrophobicContact CD1-CG2 3.63Å
119	R	97.6	Very high	96.3	Very high	141 Å²	141	51.4 Å²	51.4	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-88.7	-0.9	178.9	-69	177.8	-67.4	-172.2	2	114	E112 R115 K116 W117 D121	E112-R119 IonicContact OE1-CZ 2.75Å; E112-R119 IonicContact OE1-NH2 3.82Å; E112-R119 PolarHBondContact OE1-NH2 3.43Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.48Å; R115-R119 VanDerWaalsContact O-N 3.16Å; R115-R119 PolarHBondContact O-NE 3.24Å; K116-R119 CarbonylContact O-C 3.47Å; K116-R119 WeakPolarHBondContact O-CA 3.3Å; K116-R119 PolarHBondContact O-N 3.27Å; W117-R119 PolarHBondContact O-N 3.05Å; R119-D121 HydrophobicContact CB-CB 4.41Å; R119-D121 PolarHBondContact O-N 2.95Å
120	N	96.2	Very high	96.1	Very high	126 Å²	126	49.2 Å²	49.2	67%	0.674	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	34.1	-170.5	-48	-70.6	0	0	0	113.3	K116 W117 K152	K116-N120 PolarHBondContact O-N 2.68Å; W117-N120 PolarHBondContact O-N 3.32Å; W117-N120 VanDerWaalsContact O-N 3.12Å; N120-K152 PolarHBondContact OD1-NZ 2.76Å
121	D	96.3	Very high	95.9	Very high	107 Å²	107	56.1 Å²	56.1	57%	0.572	27%	0.273	S	S	*	.			trans	-118.4	28.8	-179.9	-173.9	37.4	0	0	0	111.5	K116 R119	K116-D121 WeakPolarHBondContact CB-O 3.18Å; K116-D121 PolarHBondContact O-N 3.05Å; R119-D121 HydrophobicContact CB-CB 4.41Å; R119-D121 PolarHBondContact O-N 2.95Å
122	E	91.2	Very high	95.7	Very high	34 Å²	34	56 Å²	56	16%	0.159	27%	0.273	C	S	.	.			trans	-108.3	142.5	-179.4	-151.3	-63.7	121.2	0	0	109.2	Y37 K116 W117 F124	Y37-E122 WeakPolarHBondContact CE1-OE1 3.27Å; Y37-E122 PolarHBondContact OH-OE1 3.42Å; K116-E122 HydrophobicContact CB-CB 3.82Å; K116-E122 HydrophobicContact CB-CG 3.93Å; W117-E122 HydrophobicContact CB-CB 4.14Å; W117-E122 HydrophobicContact CB-CG 4.35Å; E122-F124 PolarHBondContact OE1-N 3.43Å; E122-F124 VanDerWaalsContact OE1-N 3.07Å; E122-F124 WeakPolarHBondContact OE2-CA 3.29Å; E122-F124 WeakPolarHBondContact OE2-CB 3.46Å; E122-F124 PolarHBondContact OE2-N 3.39Å; E122-F124 VanDerWaalsContact OE2-O 3.08Å
123	S	92.5	Very high	95.6	Very high	96 Å²	96	52.8 Å²	52.8	67%	0.671	26%	0.258	S	S	*	.			trans	-95.5	-19.8	-172.4	53.5	0	0	0	0	115.1	Y37	Y37-S123 WeakPolarHBondContact CE1-OG 3.45Å; Y37-S123 PolarHBondContact OH-OG 3.41Å
124	F	94.7	Very high	95.5	Very high	23 Å²	23	52.5 Å²	52.5	10%	0.101	26%	0.257	C	S	.	.	S	Bend	trans	-71.9	123.2	174.2	-169.9	-91.4	0	0	0	111.2	Y37 L40 S45 E122 W126	Y37-F124 HydrophobicContact CE1-CB 4.49Å; L40-F124 HydrophobicContact CB-CD2 3.7Å; L40-F124 HydrophobicContact CB-CE2 3.54Å; L40-F124 HydrophobicContact CB-CG 4.3Å; L40-F124 HydrophobicContact CB-CZ 4.02Å; L40-F124 HydrophobicContact CD1-CB 4.03Å; L40-F124 HydrophobicContact CD1-CD1 4.24Å; L40-F124 HydrophobicContact CD1-CD2 3.97Å; L40-F124 HydrophobicContact CD1-CG 3.81Å; L40-F124 HydrophobicContact CG-CD2 4.44Å; S45-F124 VanDerWaalsContact OG-CE2 3.26Å; S45-F124 WeakPolarHBondContact OG-CE2 3.45Å; E122-F124 PolarHBondContact OE1-N 3.43Å; E122-F124 VanDerWaalsContact OE1-N 3.07Å; E122-F124 WeakPolarHBondContact OE2-CA 3.29Å; E122-F124 WeakPolarHBondContact OE2-CB 3.46Å; E122-F124 PolarHBondContact OE2-N 3.39Å; E122-F124 VanDerWaalsContact OE2-O 3.08Å; F124-W126 AromaticContact CD1-CD1 3.92Å; F124-W126 AromaticContact CD1-CD2 3.8Å; F124-W126 HydrophobicContact CD1-CD2 3.8Å; F124-W126 AromaticContact CD1-CE2 3.56Å; F124-W126 HydrophobicContact CD1-CE3 4.4Å; F124-W126 HydrophobicContact CD1-CG 4.04Å; F124-W126 AromaticContact CD1-CZ2 3.97Å; F124-W126 HydrophobicContact CD1-CZ2 3.97Å; F124-W126 AromaticContact CD1-NE1 3.64Å; F124-W126 AromaticContact CE1-CD2 3.92Å; F124-W126 HydrophobicContact CE1-CD2 3.92Å; F124-W126 AromaticContact CE1-CE2 3.96Å; F124-W126 HydrophobicContact CE1-CE3 4.06Å; F124-W126 HydrophobicContact CE1-CG 4.46Å; F124-W126 HydrophobicContact CE1-CH2 4.24Å; F124-W126 HydrophobicContact CE1-CZ2 4.12Å; F124-W126 HydrophobicContact CE1-CZ3 4.22Å; F124-W126 PolarHBondContact O-N 3.42Å; F124-W126 VanDerWaalsContact O-N 3.17Å
125	D	93	Very high	95.3	Very high	103 Å²	103	55.3 Å²	55.3	55%	0.551	28%	0.276	S	S	*	.			trans	-80	99.9	179.7	-179.4	13.1	0	0	0	111.4	S127	D125-S127 VanDerWaalsContact CG-OG 3.23Å; D125-S127 PolarHBondContact O-N 3.22Å; D125-S127 WeakPolarHBondContact OD1-CA 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.35Å; D125-S127 PolarHBondContact OD1-N 2.85Å; D125-S127 PolarHBondContact OD1-OG 2.64Å; D125-S127 PolarHBondContact OD2-OG 3.07Å
126	W	95.1	Very high	95.1	Very high	6 Å²	6	54.8 Å²	54.8	2%	0.023	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.9	174.8	-73.9	101.4	0	0	0	114.1	L40 Y44 P86 T87 V88 W117 F124 V128 I129 V130	L40-W126 HydrophobicContact CD1-CZ2 4.25Å; L40-W126 HydrophobicContact CD2-CH2 3.56Å; L40-W126 HydrophobicContact CD2-CZ2 3.53Å; Y44-W126 AromaticContact CD1-CH2 3.88Å; Y44-W126 HydrophobicContact CD1-CH2 3.88Å; Y44-W126 AromaticContact CD1-CZ3 3.63Å; Y44-W126 HydrophobicContact CD1-CZ3 3.63Å; Y44-W126 HydrophobicContact CE1-CH2 4.24Å; Y44-W126 HydrophobicContact CE1-CZ3 4.18Å; Y44-W126 HydrophobicContact CG-CH2 4.1Å; Y44-W126 HydrophobicContact CG-CZ3 4.13Å; P86-W126 WeakPolarHBondContact O-CZ2 3.23Å; T87-W126 HydrophobicContact CG2-CH2 4.36Å; V88-W126 HydrophobicContact CG1-CZ2 4.37Å; V88-W126 HydrophobicContact CG2-CB 4.3Å; V88-W126 HydrophobicContact CG2-CD2 3.36Å; V88-W126 HydrophobicContact CG2-CE3 3.67Å; V88-W126 HydrophobicContact CG2-CG 3.64Å; V88-W126 HydrophobicContact CG2-CH2 4.48Å; V88-W126 HydrophobicContact CG2-CZ2 4.21Å; V88-W126 HydrophobicContact CG2-CZ3 4.22Å; W117-W126 AromaticContact CD1-CD1 3.93Å; F124-W126 AromaticContact CD1-CD1 3.92Å; F124-W126 AromaticContact CD1-CD2 3.8Å; F124-W126 HydrophobicContact CD1-CD2 3.8Å; F124-W126 AromaticContact CD1-CE2 3.56Å; F124-W126 HydrophobicContact CD1-CE3 4.4Å; F124-W126 HydrophobicContact CD1-CG 4.04Å; F124-W126 AromaticContact CD1-CZ2 3.97Å; F124-W126 HydrophobicContact CD1-CZ2 3.97Å; F124-W126 AromaticContact CD1-NE1 3.64Å; F124-W126 AromaticContact CE1-CD2 3.92Å; F124-W126 HydrophobicContact CE1-CD2 3.92Å; F124-W126 AromaticContact CE1-CE2 3.96Å; F124-W126 HydrophobicContact CE1-CE3 4.06Å; F124-W126 HydrophobicContact CE1-CG 4.46Å; F124-W126 HydrophobicContact CE1-CH2 4.24Å; F124-W126 HydrophobicContact CE1-CZ2 4.12Å; F124-W126 HydrophobicContact CE1-CZ3 4.22Å; F124-W126 PolarHBondContact O-N 3.42Å; F124-W126 VanDerWaalsContact O-N 3.17Å; W126-V128 VanDerWaalsContact C-N 3.3Å; W126-V128 PolarHBondContact O-N 3.44Å; W126-I129 HydrophobicContact CE3-CB 3.97Å; W126-I129 HydrophobicContact CE3-CG1 4.01Å; W126-I129 HydrophobicContact CE3-CG2 4.17Å; W126-I129 HydrophobicContact CZ3-CB 4.41Å; W126-I129 HydrophobicContact CZ3-CG1 4.22Å; W126-I129 HydrophobicContact CZ3-CG2 4.26Å; W126-I129 PolarHBondContact O-N 3.29Å; W126-V130 HydrophobicContact CB-CG2 4.16Å; W126-V130 WeakPolarHBondContact O-CG2 3.43Å; W126-V130 PolarHBondContact O-N 2.65Å
127	S	93.4	Very high	94.9	Very high	24 Å²	24	54.4 Å²	54.4	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-35.9	-168.8	72.1	0	0	0	0	113.8	D125 R131	D125-S127 VanDerWaalsContact CG-OG 3.23Å; D125-S127 PolarHBondContact O-N 3.22Å; D125-S127 WeakPolarHBondContact OD1-CA 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.35Å; D125-S127 PolarHBondContact OD1-N 2.85Å; D125-S127 PolarHBondContact OD1-OG 2.64Å; D125-S127 PolarHBondContact OD2-OG 3.07Å; S127-R131 WeakPolarHBondContact O-CB 3.46Å; S127-R131 PolarHBondContact O-N 3.17Å
128	V	92.6	Very high	94.7	Very high	56 Å²	56	57.7 Å²	57.7	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-44.4	176.5	176.9	0	0	0	0	110.5	P53 W126 F132	P53-V128 HydrophobicContact CB-CG1 3.87Å; W126-V128 VanDerWaalsContact C-N 3.3Å; W126-V128 PolarHBondContact O-N 3.44Å; V128-F132 WeakPolarHBondContact O-CB 3.27Å; V128-F132 PolarHBondContact O-N 3.22Å
129	I	94.8	Very high	94.2	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-70.3	-46.4	-179.9	-55	-44.5	0	0	0	110.8	Y44 P53 M54 L63 W126 R131 F132 L133	Y44-I129 WeakPolarHBondContact O-CD1 3.01Å; P53-I129 HydrophobicContact CB-CD1 4.31Å; M54-I129 HydrophobicContact CE-CD1 3.27Å; M54-I129 HydrophobicContact CE-CG1 4.39Å; L63-I129 HydrophobicContact CD1-CG2 4.26Å; W126-I129 HydrophobicContact CE3-CB 3.97Å; W126-I129 HydrophobicContact CE3-CG1 4.01Å; W126-I129 HydrophobicContact CE3-CG2 4.17Å; W126-I129 HydrophobicContact CZ3-CB 4.41Å; W126-I129 HydrophobicContact CZ3-CG1 4.22Å; W126-I129 HydrophobicContact CZ3-CG2 4.26Å; W126-I129 PolarHBondContact O-N 3.29Å; I129-R131 VanDerWaalsContact C-N 3.33Å; I129-R131 PolarHBondContact O-N 2.98Å; I129-F132 WeakPolarHBondContact O-CB 3.27Å; I129-F132 PolarHBondContact O-N 3.29Å; I129-F132 VanDerWaalsContact O-N 3.13Å; I129-L133 HydrophobicContact CG2-CD1 4.14Å; I129-L133 HydrophobicContact CG2-CG 4.45Å; I129-L133 WeakPolarHBondContact O-CG 3.2Å; I129-L133 PolarHBondContact O-N 3.11Å
130	V	95.8	Very high	93.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-45.4	178.4	175.4	0	0	0	0	110.2	I92 W126 F132 L133 L134 V144 A147 E148	I92-V130 HydrophobicContact CD1-CG1 4.43Å; I92-V130 HydrophobicContact CD1-CG2 3.98Å; I92-V130 HydrophobicContact CG1-CG2 4.16Å; I92-V130 HydrophobicContact CG2-CG1 4.37Å; W126-V130 HydrophobicContact CB-CG2 4.16Å; W126-V130 WeakPolarHBondContact O-CG2 3.43Å; W126-V130 PolarHBondContact O-N 2.65Å; V130-F132 VanDerWaalsContact C-N 3.29Å; V130-F132 PolarHBondContact O-N 3.23Å; V130-L133 PolarHBondContact O-N 2.92Å; V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.32Å; V130-L134 VanDerWaalsContact O-CG 3.24Å; V130-L134 WeakPolarHBondContact O-CG 3.36Å; V130-L134 PolarHBondContact O-N 3.11Å; V130-V144 HydrophobicContact CB-CG1 4.03Å; V130-V144 HydrophobicContact CB-CG2 4.45Å; V130-V144 HydrophobicContact CG1-CB 4.26Å; V130-V144 HydrophobicContact CG1-CG1 3.95Å; V130-V144 HydrophobicContact CG1-CG2 4.21Å; V130-A147 HydrophobicContact CG1-CB 3.91Å; V130-E148 HydrophobicContact CG2-CG 4.17Å
131	R	94.4	Very high	93.3	Very high	148 Å²	148	58.3 Å²	58.3	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-61	-39.6	176.2	-170.3	178.7	-59.2	144.7	8.8	112	S127 I129 L134 C135 V144	S127-R131 WeakPolarHBondContact O-CB 3.46Å; S127-R131 PolarHBondContact O-N 3.17Å; I129-R131 VanDerWaalsContact C-N 3.33Å; I129-R131 PolarHBondContact O-N 2.98Å; R131-L134 PolarHBondContact O-N 3.3Å; R131-C135 PolarHBondContact O-N 3.5Å; R131-C135 PolarHBondContact O-SG 3.16Å; R131-C135 VanDerWaalsContact O-SG 3.34Å; R131-V144 HydrophobicContact CB-CG2 4.25Å
132	F	94	Very high	93.1	Very high	31 Å²	31	53.8 Å²	53.8	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-48.4	175.1	175.1	-105.2	0	0	0	112.1	P53 L63 S64 V128 I129 V130 L134 C135 Q136	P53-F132 HydrophobicContact CB-CB 4.02Å; P53-F132 HydrophobicContact CB-CD2 4.31Å; P53-F132 HydrophobicContact CB-CG 4.17Å; P53-F132 HydrophobicContact CG-CB 3.92Å; P53-F132 HydrophobicContact CG-CD1 3.89Å; P53-F132 HydrophobicContact CG-CD2 3.51Å; P53-F132 HydrophobicContact CG-CE1 4.21Å; P53-F132 HydrophobicContact CG-CE2 3.85Å; P53-F132 HydrophobicContact CG-CG 3.5Å; P53-F132 HydrophobicContact CG-CZ 4.18Å; L63-F132 HydrophobicContact CB-CD1 4.4Å; L63-F132 HydrophobicContact CB-CE1 3.99Å; S64-F132 WeakPolarHBondContact OG-CZ 3Å; V128-F132 WeakPolarHBondContact O-CB 3.27Å; V128-F132 PolarHBondContact O-N 3.22Å; I129-F132 WeakPolarHBondContact O-CB 3.27Å; I129-F132 PolarHBondContact O-N 3.29Å; I129-F132 VanDerWaalsContact O-N 3.13Å; V130-F132 VanDerWaalsContact C-N 3.29Å; V130-F132 PolarHBondContact O-N 3.23Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 3.2Å; F132-C135 WeakPolarHBondContact O-CB 3.28Å; F132-C135 PolarHBondContact O-N 3.05Å; F132-C135 VanDerWaalsContact O-N 3.14Å; F132-Q136 HydrophobicContact CD1-CG 4.45Å; F132-Q136 HydrophobicContact CE1-CG 4.11Å; F132-Q136 HydrophobicContact CZ-CG 4.16Å; F132-Q136 WeakPolarHBondContact O-CG 3.28Å; F132-Q136 PolarHBondContact O-N 2.72Å; F132-Q136 VanDerWaalsContact O-N 3.13Å
133	L	96	Very high	93.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-43.6	177.6	-67.4	171	0	0	0	111.5	L63 P67 H89 I92 V93 I129 V130 C135 Q136 E137	L63-L133 HydrophobicContact CB-CD2 4.13Å; L63-L133 HydrophobicContact CD2-CD2 4.23Å; L63-L133 WeakPolarHBondContact O-CD2 3.38Å; P67-L133 HydrophobicContact CG-CD2 3.97Å; H89-L133 HydrophobicContact CB-CD1 3.92Å; I92-L133 HydrophobicContact CB-CD1 4.23Å; I92-L133 HydrophobicContact CG2-CB 4.42Å; I92-L133 HydrophobicContact CG2-CD1 3.85Å; V93-L133 HydrophobicContact CG2-CD1 4.14Å; V93-L133 HydrophobicContact CG2-CD2 3.86Å; V93-L133 HydrophobicContact CG2-CG 4.41Å; I129-L133 HydrophobicContact CG2-CD1 4.14Å; I129-L133 HydrophobicContact CG2-CG 4.45Å; I129-L133 WeakPolarHBondContact O-CG 3.2Å; I129-L133 PolarHBondContact O-N 3.11Å; V130-L133 PolarHBondContact O-N 2.92Å; L133-C135 VanDerWaalsContact C-N 3.3Å; L133-C135 PolarHBondContact O-N 2.93Å; L133-Q136 WeakPolarHBondContact O-CB 3.1Å; L133-Q136 PolarHBondContact O-N 2.87Å; L133-E137 WeakPolarHBondContact O-CG 3.19Å; L133-E137 PolarHBondContact O-N 2.9Å
134	L	95.8	Very high	93.5	Very high	6 Å²	6	51 Å²	51	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-37.2	176	-68.6	174.2	0	0	0	112.8	V130 R131 F132 E137 A138 D139 C142 A147	V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.32Å; V130-L134 VanDerWaalsContact O-CG 3.24Å; V130-L134 WeakPolarHBondContact O-CG 3.36Å; V130-L134 PolarHBondContact O-N 3.11Å; R131-L134 PolarHBondContact O-N 3.3Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 3.2Å; L134-E137 PolarHBondContact O-N 2.98Å; L134-A138 PolarHBondContact O-N 3.1Å; L134-D139 PolarHBondContact O-N 3.39Å; L134-C142 HydrophobicContact CD1-CB 4.38Å; L134-C142 WeakPolarHBondContact CD1-O 3.24Å; L134-C142 HydrophobicContact CD2-CB 4.02Å; L134-A147 HydrophobicContact CD1-CB 4.12Å; L134-A147 HydrophobicContact CD2-CB 4.01Å; L134-A147 HydrophobicContact CG-CB 4.45Å
135	C	94.3	Very high	93.6	Very high	60 Å²	60	55 Å²	55	41%	0.405	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-40.3	172.8	-72.8	0	0	0	0	112.2	R131 F132 L133 E137 A138	R131-C135 PolarHBondContact O-N 3.5Å; R131-C135 PolarHBondContact O-SG 3.16Å; R131-C135 VanDerWaalsContact O-SG 3.34Å; F132-C135 WeakPolarHBondContact O-CB 3.28Å; F132-C135 PolarHBondContact O-N 3.05Å; F132-C135 VanDerWaalsContact O-N 3.14Å; L133-C135 VanDerWaalsContact C-N 3.3Å; L133-C135 PolarHBondContact O-N 2.93Å; C135-E137 VanDerWaalsContact C-N 3.28Å; C135-E137 PolarHBondContact O-N 2.85Å; C135-A138 PolarHBondContact O-N 3.43Å; C135-A138 VanDerWaalsContact O-N 3.08Å
136	Q	94.3	Very high	93.8	Very high	70 Å²	70	54.4 Å²	54.4	33%	0.327	29%	0.293	S	S	.	.	H	α-helix	trans	-68.4	-28.6	175.8	-56.4	-50.2	-39.7	0	0	112.4	P67 F132 L133 A138	P67-Q136 HydrophobicContact CB-CB 4.01Å; P67-Q136 HydrophobicContact CG-CB 3.82Å; F132-Q136 HydrophobicContact CD1-CG 4.45Å; F132-Q136 HydrophobicContact CE1-CG 4.11Å; F132-Q136 HydrophobicContact CZ-CG 4.16Å; F132-Q136 WeakPolarHBondContact O-CG 3.28Å; F132-Q136 PolarHBondContact O-N 2.72Å; F132-Q136 VanDerWaalsContact O-N 3.13Å; L133-Q136 WeakPolarHBondContact O-CB 3.1Å; L133-Q136 PolarHBondContact O-N 2.87Å; Q136-A138 PolarHBondContact O-N 3.3Å
137	E	94.4	Very high	94	Very high	52 Å²	52	54.1 Å²	54.1	24%	0.243	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.4	171.5	-67.5	175.3	-171.7	0	0	113.4	P67 R95 L133 L134 C135 D139	P67-E137 HydrophobicContact CB-CG 3.74Å; P67-E137 HydrophobicContact CG-CG 4.36Å; R95-E137 IonicContact CZ-OE1 3.8Å; R95-E137 IonicContact CZ-OE2 2.78Å; R95-E137 VanDerWaalsContact CZ-OE2 3.27Å; R95-E137 VanDerWaalsContact NH1-CD 3.28Å; R95-E137 IonicContact NH1-OE1 3.9Å; R95-E137 PolarHBondContact NH1-OE1 2.94Å; R95-E137 IonicContact NH1-OE2 2.58Å; R95-E137 PolarHBondContact NH1-OE2 2.8Å; R95-E137 IonicContact NH2-OE1 3.41Å; R95-E137 IonicContact NH2-OE2 2.73Å; R95-E137 PolarHBondContact NH2-OE2 3.37Å; L133-E137 WeakPolarHBondContact O-CG 3.19Å; L133-E137 PolarHBondContact O-N 2.9Å; L134-E137 PolarHBondContact O-N 2.98Å; C135-E137 VanDerWaalsContact C-N 3.28Å; C135-E137 PolarHBondContact O-N 2.85Å; E137-D139 HydrophobicContact CB-CB 4.26Å; E137-D139 PolarHBondContact O-N 3.42Å
138	A	93.3	Very high	94.2	Very high	76 Å²	76	54.4 Å²	54.4	63%	0.628	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	26.8	-168.9	0	0	0	0	0	113.5	L134 C135 Q136	L134-A138 PolarHBondContact O-N 3.1Å; C135-A138 PolarHBondContact O-N 3.43Å; C135-A138 VanDerWaalsContact O-N 3.08Å; Q136-A138 PolarHBondContact O-N 3.3Å
139	D	89.3	Confident	94.5	Very high	33 Å²	33	55.5 Å²	55.5	18%	0.176	30%	0.297	C	S	.	.			trans	-104.8	67.4	179.6	-169	1.1	0	0	0	111.1	R96 L134 E137 N141 C142	R96-D139 IonicContact CZ-OD2 3.44Å; R96-D139 IonicContact NH1-OD2 3.44Å; R96-D139 PolarHBondContact NH1-OD2 3.3Å; R96-D139 IonicContact NH2-OD2 3.67Å; R96-D139 PolarHBondContact NH2-OD2 3.36Å; L134-D139 PolarHBondContact O-N 3.39Å; E137-D139 HydrophobicContact CB-CB 4.26Å; E137-D139 PolarHBondContact O-N 3.42Å; D139-N141 PolarHBondContact O-N 2.94Å; D139-N141 VanDerWaalsContact O-N 3.17Å; D139-C142 HydrophobicContact CB-CB 4.48Å; D139-C142 VanDerWaalsContact CG-CB 3.48Å; D139-C142 PolarHBondContact O-N 3.48Å; D139-C142 PolarHBondContact OD1-N 2.93Å; D139-C142 VanDerWaalsContact OD2-CB 3.25Å; D139-C142 WeakPolarHBondContact OD2-CB 3.25Å
140	H	83.9	Confident	94.6	Very high	138 Å²	138	58.1 Å²	58.1	64%	0.639	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.1	-176.5	-54.9	-60.5	0	0	0	114.3
141	N	89.8	Confident	94.8	Very high	157 Å²	157	58 Å²	58	84%	0.84	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-16	-176.4	-66.1	-35.4	0	0	0	113	D139 A143	D139-N141 PolarHBondContact O-N 2.94Å; D139-N141 VanDerWaalsContact O-N 3.17Å; N141-A143 PolarHBondContact O-N 3.03Å
142	C	93.1	Very high	95	Very high	13 Å²	13	52.5 Å²	52.5	9%	0.088	29%	0.289	C	S	.	.	S	Bend	trans	-71.9	124.8	176.3	-171.3	0	0	0	0	109.7	L134 D139	L134-C142 HydrophobicContact CD1-CB 4.38Å; L134-C142 WeakPolarHBondContact CD1-O 3.24Å; L134-C142 HydrophobicContact CD2-CB 4.02Å; D139-C142 HydrophobicContact CB-CB 4.48Å; D139-C142 VanDerWaalsContact CG-CB 3.48Å; D139-C142 PolarHBondContact O-N 3.48Å; D139-C142 PolarHBondContact OD1-N 2.93Å; D139-C142 VanDerWaalsContact OD2-CB 3.25Å; D139-C142 WeakPolarHBondContact OD2-CB 3.25Å
143	A	95.8	Very high	95.2	Very high	44 Å²	44	57.2 Å²	57.2	36%	0.364	32%	0.315	S	S	.	.			trans	-74.7	151.5	174.8	0	0	0	0	0	110.6	N141 D145 Q146 A147	N141-A143 PolarHBondContact O-N 3.03Å; A143-D145 VanDerWaalsContact C-N 3.35Å; A143-D145 WeakPolarHBondContact CB-OD1 3.46Å; A143-D145 PolarHBondContact O-N 3.22Å; A143-Q146 HydrophobicContact CB-CB 4.28Å; A143-Q146 WeakPolarHBondContact O-CB 3.15Å; A143-Q146 PolarHBondContact O-N 3.14Å; A143-A147 PolarHBondContact O-N 2.91Å
144	V	96.1	Very high	95.3	Very high	26 Å²	26	59.5 Å²	59.5	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-47.4	-177.9	166.6	0	0	0	0	111.2	V130 R131 Q146 A147 E148	V130-V144 HydrophobicContact CB-CG1 4.03Å; V130-V144 HydrophobicContact CB-CG2 4.45Å; V130-V144 HydrophobicContact CG1-CB 4.26Å; V130-V144 HydrophobicContact CG1-CG1 3.95Å; V130-V144 HydrophobicContact CG1-CG2 4.21Å; R131-V144 HydrophobicContact CB-CG2 4.25Å; V144-Q146 VanDerWaalsContact C-N 3.3Å; V144-Q146 PolarHBondContact O-N 3.47Å; V144-A147 PolarHBondContact O-N 3.28Å; V144-E148 PolarHBondContact O-N 3.01Å
145	D	96.7	Very high	95.4	Very high	109 Å²	109	60.1 Å²	60.1	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-38.6	177.4	62.4	-29	0	0	0	112.2	A143 T149	A143-D145 VanDerWaalsContact C-N 3.35Å; A143-D145 WeakPolarHBondContact CB-OD1 3.46Å; A143-D145 PolarHBondContact O-N 3.22Å; D145-T149 VanDerWaalsContact O-CB 3.24Å; D145-T149 WeakPolarHBondContact O-CB 3.43Å; D145-T149 PolarHBondContact O-N 3.26Å; D145-T149 PolarHBondContact O-OG1 2.8Å
146	Q	97.8	Very high	95.6	Very high	90 Å²	90	62.1 Å²	62.1	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-45.1	174.6	-173.1	-172.3	7	0	0	111.4	A143 V144 T149 Q150	A143-Q146 HydrophobicContact CB-CB 4.28Å; A143-Q146 WeakPolarHBondContact O-CB 3.15Å; A143-Q146 PolarHBondContact O-N 3.14Å; V144-Q146 VanDerWaalsContact C-N 3.3Å; V144-Q146 PolarHBondContact O-N 3.47Å; Q146-T149 PolarHBondContact O-N 3.37Å; Q146-Q150 WeakPolarHBondContact O-CB 3.39Å; Q146-Q150 VanDerWaalsContact O-CG 3.28Å; Q146-Q150 WeakPolarHBondContact O-CG 3.28Å; Q146-Q150 PolarHBondContact O-N 2.81Å
147	A	98.1	Very high	95.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-45.5	178.3	0	0	0	0	0	111.5	R95 V130 L134 A143 V144 Q150 A151	R95-A147 WeakPolarHBondContact CD-O 3.18Å; V130-A147 HydrophobicContact CG1-CB 3.91Å; L134-A147 HydrophobicContact CD1-CB 4.12Å; L134-A147 HydrophobicContact CD2-CB 4.01Å; L134-A147 HydrophobicContact CG-CB 4.45Å; A143-A147 PolarHBondContact O-N 2.91Å; V144-A147 PolarHBondContact O-N 3.28Å; A147-Q150 PolarHBondContact O-N 3.19Å; A147-A151 WeakPolarHBondContact O-CB 3.21Å; A147-A151 PolarHBondContact O-N 2.97Å
148	E	98.2	Very high	96	Very high	30 Å²	30	58.6 Å²	58.6	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-46.1	174.5	-76.3	-165.3	-128.7	0	0	112.1	I92 W117 V130 V144 Q150 A151 K152	I92-E148 HydrophobicContact CD1-CB 4.41Å; I92-E148 HydrophobicContact CD1-CG 3.86Å; W117-E148 HydrophobicContact CZ2-CB 4.44Å; W117-E148 HydrophobicContact CZ2-CG 4.33Å; W117-E148 PolarHBondContact NE1-OE2 3.15Å; V130-E148 HydrophobicContact CG2-CG 4.17Å; V144-E148 PolarHBondContact O-N 3.01Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 2.7Å; E148-A151 WeakPolarHBondContact O-CB 3.43Å; E148-A151 PolarHBondContact O-N 3.14Å; E148-K152 WeakPolarHBondContact O-CB 3.36Å; E148-K152 VanDerWaalsContact O-CG 3.22Å; E148-K152 WeakPolarHBondContact O-CG 3.16Å; E148-K152 PolarHBondContact O-N 2.75Å; E148-K152 IonicContact OE2-NZ 3.92Å; E148-K152 PolarHBondContact OE2-NZ 3.44Å
149	T	98.2	Very high	96.2	Very high	78 Å²	78	55.3 Å²	55.3	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-45.2	178.4	-61.4	0	0	0	0	111.1	D145 Q146 A151 K152 L153	D145-T149 VanDerWaalsContact O-CB 3.24Å; D145-T149 WeakPolarHBondContact O-CB 3.43Å; D145-T149 PolarHBondContact O-N 3.26Å; D145-T149 PolarHBondContact O-OG1 2.8Å; Q146-T149 PolarHBondContact O-N 3.37Å; T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact O-N 3.02Å; T149-K152 PolarHBondContact O-N 3.3Å; T149-L153 HydrophobicContact CG2-CD1 4.33Å; T149-L153 VanDerWaalsContact O-CG 3.3Å; T149-L153 WeakPolarHBondContact O-CG 3.18Å; T149-L153 PolarHBondContact O-N 3.12Å; T149-L153 VanDerWaalsContact O-N 3.08Å
150	Q	98.2	Very high	96.7	Very high	57 Å²	57	55.3 Å²	55.3	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.4	-76.4	175.6	-2.2	0	0	111.7	R95 Q146 A147 E148 K154	R95-Q150 HydrophobicContact CB-CB 4.3Å; R95-Q150 HydrophobicContact CG-CB 4.2Å; Q146-Q150 WeakPolarHBondContact O-CB 3.39Å; Q146-Q150 VanDerWaalsContact O-CG 3.28Å; Q146-Q150 WeakPolarHBondContact O-CG 3.28Å; Q146-Q150 PolarHBondContact O-N 2.81Å; A147-Q150 PolarHBondContact O-N 3.19Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 2.7Å; Q150-K154 WeakPolarHBondContact O-CG 3.34Å; Q150-K154 PolarHBondContact O-N 3.48Å
151	A	98.6	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-48.4	178.2	0	0	0	0	0	112	P91 I92 R95 W117 A147 E148 T149 L153 K154 V155	P91-A151 HydrophobicContact CB-CB 4.22Å; P91-A151 VanDerWaalsContact O-CB 3.3Å; P91-A151 WeakPolarHBondContact O-CB 3.43Å; I92-A151 HydrophobicContact CD1-CB 3.78Å; I92-A151 HydrophobicContact CG1-CB 4.38Å; R95-A151 HydrophobicContact CB-CB 4.12Å; W117-A151 HydrophobicContact CH2-CB 4.01Å; A147-A151 WeakPolarHBondContact O-CB 3.21Å; A147-A151 PolarHBondContact O-N 2.97Å; E148-A151 WeakPolarHBondContact O-CB 3.43Å; E148-A151 PolarHBondContact O-N 3.14Å; T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact O-N 3.02Å; A151-L153 VanDerWaalsContact C-N 3.27Å; A151-L153 PolarHBondContact O-N 2.71Å; A151-K154 WeakPolarHBondContact O-CB 3.28Å; A151-K154 PolarHBondContact O-N 2.82Å; A151-V155 PolarHBondContact O-N 3.29Å
152	K	98.6	Very high	97.7	Very high	31 Å²	31	44.5 Å²	44.5	14%	0.135	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-39.1	178.9	-68.3	172.3	-169.6	177.6	0	111.8	W117 L118 N120 E148 T149 K154 V155	W117-K152 HydrophobicContact CD2-CG 4.49Å; W117-K152 HydrophobicContact CE3-CG 4.23Å; W117-K152 HydrophobicContact CH2-CD 4.49Å; W117-K152 HydrophobicContact CH2-CG 3.52Å; W117-K152 HydrophobicContact CZ2-CD 4.31Å; W117-K152 VanDerWaalsContact CZ2-CE 3.42Å; W117-K152 HydrophobicContact CZ2-CG 3.79Å; W117-K152 HydrophobicContact CZ3-CG 3.76Å; W117-K152 WeakPolarHBondContact O-CE 3.43Å; W117-K152 PolarHBondContact O-NZ 3.44Å; W117-K152 VanDerWaalsContact O-NZ 3.09Å; L118-K152 HydrophobicContact CD2-CB 4.22Å; L118-K152 HydrophobicContact CD2-CG 4.12Å; N120-K152 PolarHBondContact OD1-NZ 2.76Å; E148-K152 WeakPolarHBondContact O-CB 3.36Å; E148-K152 VanDerWaalsContact O-CG 3.22Å; E148-K152 WeakPolarHBondContact O-CG 3.16Å; E148-K152 PolarHBondContact O-N 2.75Å; E148-K152 IonicContact OE2-NZ 3.92Å; E148-K152 PolarHBondContact OE2-NZ 3.44Å; T149-K152 PolarHBondContact O-N 3.3Å; K152-K154 PolarHBondContact O-N 3.4Å; K152-V155 PolarHBondContact O-N 3.03Å
153	L	98.4	Very high	97.9	Very high	130 Å²	130	44.3 Å²	44.3	68%	0.681	24%	0.242	S	C	*	.	H	α-helix	trans	-64.4	-23.9	175.8	-73.1	171.4	0	0	0	114	T149 A151	T149-L153 HydrophobicContact CG2-CD1 4.33Å; T149-L153 VanDerWaalsContact O-CG 3.3Å; T149-L153 WeakPolarHBondContact O-CG 3.18Å; T149-L153 PolarHBondContact O-N 3.12Å; T149-L153 VanDerWaalsContact O-N 3.08Å; A151-L153 VanDerWaalsContact C-N 3.27Å; A151-L153 PolarHBondContact O-N 2.71Å
154	K	98.6	Very high	98	Very high	50 Å²	50	44 Å²	44	22%	0.217	23%	0.234	C	C	.	.	H	α-helix	trans	-83.9	-27.1	176.7	-61.9	-57.3	-173.1	173	0	112.5	R95 V98 D99 I101 Q150 A151 K152 Q156	R95-K154 VanDerWaalsContact O-CE 3.23Å; R95-K154 WeakPolarHBondContact O-CE 3.49Å; V98-K154 WeakPolarHBondContact O-CD 3.23Å; V98-K154 WeakPolarHBondContact O-CE 3.38Å; V98-K154 PolarHBondContact O-NZ 2.91Å; D99-K154 WeakPolarHBondContact O-CD 3.49Å; D99-K154 IonicContact OD1-NZ 3.62Å; I101-K154 HydrophobicContact CB-CB 4.41Å; I101-K154 HydrophobicContact CD1-CB 3.78Å; I101-K154 HydrophobicContact CG1-CB 3.9Å; I101-K154 PolarHBondContact N-O 3.15Å; Q150-K154 WeakPolarHBondContact O-CG 3.34Å; Q150-K154 PolarHBondContact O-N 3.48Å; A151-K154 WeakPolarHBondContact O-CB 3.28Å; A151-K154 PolarHBondContact O-N 2.82Å; K152-K154 PolarHBondContact O-N 3.4Å; K154-Q156 PolarHBondContact O-N 2.9Å; K154-Q156 PolarHBondContact O-NE2 3.49Å
155	V	98.7	Very high	98	Very high	18 Å²	18	44.6 Å²	44.6	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.8	-177.5	-179.6	0	0	0	0	110.2	P91 I101 L103 W117 L118 A151 K152	P91-V155 HydrophobicContact CB-CG2 3.89Å; I101-V155 HydrophobicContact CB-CG2 4.3Å; I101-V155 HydrophobicContact CG2-CG2 4.29Å; I101-V155 CarbonylContact O-C 3.57Å; I101-V155 VanDerWaalsContact O-CA 3.29Å; I101-V155 WeakPolarHBondContact O-CA 3.42Å; L103-V155 HydrophobicContact CD1-CG1 4.13Å; L103-V155 HydrophobicContact CD1-CG2 4.13Å; L103-V155 HydrophobicContact CG-CG1 4.18Å; L103-V155 HydrophobicContact CG-CG2 4.38Å; W117-V155 HydrophobicContact CZ3-CG2 4.46Å; L118-V155 HydrophobicContact CD1-CG1 3.95Å; L118-V155 HydrophobicContact CD2-CB 3.73Å; L118-V155 HydrophobicContact CD2-CG1 3.89Å; L118-V155 HydrophobicContact CD2-CG2 4.08Å; A151-V155 PolarHBondContact O-N 3.29Å; K152-V155 PolarHBondContact O-N 3.03Å
156	Q	97.9	Very high	97.8	Very high	102 Å²	102	43.6 Å²	43.6	48%	0.477	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-38.8	179.1	-59.5	-52.8	-60	0	0	111.7	E100 I101 Y102 K154	E100-Q156 HydrophobicContact CB-CG 3.71Å; E100-Q156 HydrophobicContact CG-CG 3.91Å; I101-Q156 PolarHBondContact O-N 2.99Å; Y102-Q156 HydrophobicContact CD1-CB 4.25Å; Y102-Q156 HydrophobicContact CE1-CB 3.8Å; Y102-Q156 HydrophobicContact CE1-CG 4.4Å; Y102-Q156 HydrophobicContact CE2-CB 4.29Å; Y102-Q156 HydrophobicContact CE2-CG 4.09Å; K154-Q156 PolarHBondContact O-N 2.9Å; K154-Q156 PolarHBondContact O-NE2 3.49Å
157	S	97.6	Very high	97.6	Very high	33 Å²	33	44.5 Å²	44.5	23%	0.231	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	160.7	-178.5	56.3	0	0	0	0	112.5	Y102 L103 L159	Y102-S157 WeakPolarHBondContact CD1-OG 3.34Å; L103-S157 PolarHBondContact N-O 3.23Å; L103-S157 VanDerWaalsContact N-O 3.09Å; S157-L159 VanDerWaalsContact OG-CD2 3.26Å; S157-L159 WeakPolarHBondContact OG-CD2 3.47Å
158	V	98.6	Very high	97.5	Very high	16 Å²	16	44.9 Å²	44.9	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101.7	169.1	-176.4	0	0	0	0	108.2	L103 R111 L114 R115 L118	L103-V158 HydrophobicContact CB-CG2 4.43Å; L103-V158 CarbonylContact O-C 3.56Å; L103-V158 WeakPolarHBondContact O-CA 3.48Å; R111-V158 HydrophobicContact CB-CG1 3.73Å; R111-V158 HydrophobicContact CG-CG1 3.94Å; L114-V158 HydrophobicContact CB-CG1 4.01Å; L114-V158 HydrophobicContact CB-CG2 4Å; L114-V158 HydrophobicContact CD1-CG1 3.83Å; R115-V158 HydrophobicContact CG-CB 4.22Å; R115-V158 HydrophobicContact CG-CG2 4.17Å; R115-V158 PolarHBondContact NH2-O 3.06Å; L118-V158 HydrophobicContact CD1-CG2 3.63Å
159	L	98.4	Very high	97.5	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	150.6	-169.3	-55.9	177.4	0	0	0	112.1	L80 Y102 L103 S104 D105 R111 S157 I169 V174	L80-L159 HydrophobicContact CD1-CD1 4.35Å; Y102-L159 HydrophobicContact CD1-CD1 4.07Å; L103-L159 PolarHBondContact O-N 3.1Å; S104-L159 VanDerWaalsContact CA-O 3.29Å; S104-L159 WeakPolarHBondContact CA-O 3.4Å; D105-L159 PolarHBondContact N-O 3.32Å; R111-L159 WeakPolarHBondContact CD-O 3.2Å; S157-L159 VanDerWaalsContact OG-CD2 3.26Å; S157-L159 WeakPolarHBondContact OG-CD2 3.47Å; L159-I169 HydrophobicContact CD1-CB 4.3Å; L159-I169 HydrophobicContact CD1-CD1 4.24Å; L159-V174 HydrophobicContact CD1-CG1 4.08Å; L159-V174 HydrophobicContact CD1-CG2 4.2Å; L159-V174 HydrophobicContact CD2-CG2 3.95Å
160	A	98.2	Very high	97.3	Very high	32 Å²	32	46 Å²	46	26%	0.264	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.9	161.1	0	0	0	0	0	108.8	I169 E170	A160-I169 WeakPolarHBondContact O-CA 3.39Å; A160-E170 PolarHBondContact N-O 2.83Å; A160-E170 PolarHBondContact O-N 3.31Å
161	C	98	Very high	97.1	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150	171.4	67.9	0	0	0	0	112.8	I82 D105 Y106 V168 I169	I82-C161 HydrophobicContact CD1-CB 4.44Å; D105-C161 VanDerWaalsContact CA-SG 3.54Å; D105-C161 PolarHBondContact O-N 3.33Å; Y106-C161 VanDerWaalsContact CA-O 3.24Å; Y106-C161 WeakPolarHBondContact CA-O 3.41Å; Y106-C161 WeakPolarHBondContact CD2-O 3.49Å; C161-V168 CarbonylContact C-O 3.6Å; C161-V168 WeakPolarHBondContact CA-O 3.32Å; C161-V168 VanDerWaalsContact CB-O 3.23Å; C161-V168 WeakPolarHBondContact CB-O 3.41Å; C161-I169 HydrophobicContact CB-CG2 4.15Å
162	D	97.8	Very high	96.4	Very high	58 Å²	58	51.2 Å²	51.2	31%	0.31	30%	0.297	S	S	.	.			trans	-138.4	105.7	168.3	179	-6.1	0	0	0	108.7	Y106 L164 S165 V168	Y106-D162 HydrophobicContact CD2-CB 4.14Å; Y106-D162 HydrophobicContact CE2-CB 4.24Å; D162-L164 PolarHBondContact O-N 3.37Å; D162-L164 VanDerWaalsContact O-N 3.16Å; D162-L164 WeakPolarHBondContact OD1-CB 3.13Å; D162-L164 PolarHBondContact OD1-N 3.46Å; D162-S165 VanDerWaalsContact O-CB 3.31Å; D162-S165 WeakPolarHBondContact O-CB 3.49Å; D162-S165 PolarHBondContact O-N 3.42Å; D162-S165 PolarHBondContact OD1-N 3.07Å; D162-V168 PolarHBondContact N-O 3.16Å; D162-V168 WeakPolarHBondContact O-CA 2.93Å
163	I	98	Very high	96	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.046	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.2	-176.7	67.3	177.7	0	0	0	113.4	I82 V168 I187 A190 A200 N203 V204	I82-I163 HydrophobicContact CG2-CG2 3.5Å; I163-V168 HydrophobicContact CG2-CG1 4.19Å; I163-I187 HydrophobicContact CD1-CB 4.44Å; I163-I187 HydrophobicContact CD1-CG1 4.33Å; I163-I187 HydrophobicContact CD1-CG2 4.48Å; I163-A190 HydrophobicContact CD1-CB 3.62Å; I163-A190 HydrophobicContact CG1-CB 4.25Å; I163-A200 HydrophobicContact CB-CB 4.32Å; I163-A200 HydrophobicContact CD1-CB 3.74Å; I163-A200 HydrophobicContact CG1-CB 3.89Å; I163-A200 WeakPolarHBondContact O-CA 3.26Å; I163-N203 WeakPolarHBondContact O-CB 3.47Å; I163-N203 PolarHBondContact O-ND2 2.85Å; I163-V204 HydrophobicContact CB-CG2 4.1Å; I163-V204 HydrophobicContact CG2-CG2 3.75Å
164	L	97.6	Very high	95.7	Very high	38 Å²	38	51 Å²	51	20%	0.199	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-14.1	174.2	-63.6	172.2	0	0	0	112.7	D162 V191 E196 A200	D162-L164 PolarHBondContact O-N 3.37Å; D162-L164 VanDerWaalsContact O-N 3.16Å; D162-L164 WeakPolarHBondContact OD1-CB 3.13Å; D162-L164 PolarHBondContact OD1-N 3.46Å; L164-V191 HydrophobicContact CD2-CG1 4Å; L164-E196 HydrophobicContact CD2-CB 4.07Å; L164-E196 HydrophobicContact CD2-CG 4.42Å; L164-A200 HydrophobicContact CD2-CB 4.2Å
165	S	96.3	Very high	95.2	Very high	38 Å²	38	50.1 Å²	50.1	27%	0.266	30%	0.304	S	S	.	.	S	Bend	trans	-77	148.5	174.5	178.7	0	0	0	0	111.3	D162 N167 N203	D162-S165 VanDerWaalsContact O-CB 3.31Å; D162-S165 WeakPolarHBondContact O-CB 3.49Å; D162-S165 PolarHBondContact O-N 3.42Å; D162-S165 PolarHBondContact OD1-N 3.07Å; S165-N167 WeakPolarHBondContact CB-O 3.32Å; S165-N167 PolarHBondContact O-N 3.49Å; S165-N167 PolarHBondContact OG-N 3.44Å; S165-N167 VanDerWaalsContact OG-N 3.13Å; S165-N167 PolarHBondContact OG-O 2.89Å; S165-N203 PolarHBondContact O-ND2 2.95Å
166	A	91.4	Very high	94.5	Very high	89 Å²	89	52.2 Å²	52.2	74%	0.736	32%	0.319	S	S	*	.	S	Bend	trans	-65.7	-31.1	169.9	0	0	0	0	0	111.9
167	N	93.6	Very high	94.2	Very high	108 Å²	108	52.5 Å²	52.5	58%	0.578	32%	0.324	S	S	*	.	S	Bend	trans	-100.4	91.2	170.7	-64.4	-39.2	0	0	0	107.7	S165 I169	S165-N167 WeakPolarHBondContact CB-O 3.32Å; S165-N167 PolarHBondContact O-N 3.49Å; S165-N167 PolarHBondContact OG-N 3.44Å; S165-N167 VanDerWaalsContact OG-N 3.13Å; S165-N167 PolarHBondContact OG-O 2.89Å; N167-I169 PolarHBondContact O-N 3.48Å
168	V	96.9	Very high	94.2	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.048	31%	0.313	C	S	.	.			trans	-67.1	-36	-170.5	-179.2	0	0	0	0	112.5	I82 C161 D162 I163 N203 L207	I82-V168 HydrophobicContact CD1-CG1 4.09Å; C161-V168 CarbonylContact C-O 3.6Å; C161-V168 WeakPolarHBondContact CA-O 3.32Å; C161-V168 VanDerWaalsContact CB-O 3.23Å; C161-V168 WeakPolarHBondContact CB-O 3.41Å; D162-V168 PolarHBondContact N-O 3.16Å; D162-V168 WeakPolarHBondContact O-CA 2.93Å; I163-V168 HydrophobicContact CG2-CG1 4.19Å; V168-N203 HydrophobicContact CG2-CB 3.64Å; V168-L207 HydrophobicContact CB-CD1 3.93Å; V168-L207 HydrophobicContact CB-CD2 4.42Å; V168-L207 HydrophobicContact CG1-CD1 3.73Å; V168-L207 HydrophobicContact CG2-CD1 4.41Å
169	I	97	Very high	94.2	Very high	10 Å²	10	51 Å²	51	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.6	-177.5	60.3	176.6	0	0	0	111.1	L80 I82 L159 A160 C161 N167 V174 F178 L207	L80-I169 HydrophobicContact CD1-CG2 4.41Å; L80-I169 HydrophobicContact CD2-CD1 4.3Å; L80-I169 HydrophobicContact CD2-CG2 3.92Å; I82-I169 HydrophobicContact CD1-CG2 4.04Å; L159-I169 HydrophobicContact CD1-CB 4.3Å; L159-I169 HydrophobicContact CD1-CD1 4.24Å; A160-I169 WeakPolarHBondContact O-CA 3.39Å; C161-I169 HydrophobicContact CB-CG2 4.15Å; N167-I169 PolarHBondContact O-N 3.48Å; I169-V174 HydrophobicContact CD1-CB 4.22Å; I169-V174 HydrophobicContact CD1-CG1 4.02Å; I169-F178 HydrophobicContact CD1-CE2 3.78Å; I169-F178 HydrophobicContact CD1-CZ 3.99Å; I169-L207 HydrophobicContact CG2-CD1 4.49Å
170	E	95	Very high	94.2	Very high	123 Å²	123	50.7 Å²	50.7	58%	0.575	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.4	172.3	-67.2	-164.9	174.3	0	0	111.9	A160	A160-E170 PolarHBondContact N-O 2.83Å; A160-E170 PolarHBondContact O-N 3.31Å
171	P	93.3	Very high	94.3	Very high	74 Å²	74	49.1 Å²	49.1	48%	0.481	30%	0.299	S	S	.	.	S	Bend	cis	-75	153.9	0.5	30.7	-35.5	0	0	0	113.8	D173 V174	P171-D173 WeakPolarHBondContact CB-OD1 3.25Å; P171-D173 WeakPolarHBondContact CG-OD1 3.4Å; P171-D173 PolarHBondContact O-N 2.88Å; P171-V174 HydrophobicContact CG-CG2 4.26Å; P171-V174 WeakPolarHBondContact O-CG2 3.34Å; P171-V174 PolarHBondContact O-N 3.16Å
172	S	85.3	Confident	94.3	Very high	92 Å²	92	48.7 Å²	48.7	64%	0.643	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-71.5	-15.8	-174	55.2	0	0	0	0	114.3	V174 G175	S172-V174 PolarHBondContact O-N 3.02Å; S172-G175 PolarHBondContact O-N 3.06Å; S172-G175 VanDerWaalsContact O-N 3.13Å
173	D	89.7	Confident	94.3	Very high	135 Å²	135	45.9 Å²	45.9	72%	0.722	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-69.3	-15.4	176.5	63.2	-14.7	0	0	0	113.3	P171 G175	P171-D173 WeakPolarHBondContact CB-OD1 3.25Å; P171-D173 WeakPolarHBondContact CG-OD1 3.4Å; P171-D173 PolarHBondContact O-N 2.88Å; D173-G175 PolarHBondContact O-N 2.71Å
174	V	92.3	Very high	94.4	Very high	21 Å²	21	46.1 Å²	46.1	13%	0.127	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.7	-29.4	168.7	178.7	0	0	0	0	111.1	R78 Y102 L159 I169 P171 S172 F178	R78-V174 PolarHBondContact NH1-O 2.84Å; R78-V174 VanDerWaalsContact NH1-O 3.13Å; R78-V174 VanDerWaalsContact NH2-CG1 3.35Å; R78-V174 PolarHBondContact NH2-O 2.99Å; Y102-V174 HydrophobicContact CD1-CG1 3.74Å; Y102-V174 HydrophobicContact CE1-CG1 3.64Å; L159-V174 HydrophobicContact CD1-CG1 4.08Å; L159-V174 HydrophobicContact CD1-CG2 4.2Å; L159-V174 HydrophobicContact CD2-CG2 3.95Å; I169-V174 HydrophobicContact CD1-CB 4.22Å; I169-V174 HydrophobicContact CD1-CG1 4.02Å; P171-V174 HydrophobicContact CG-CG2 4.26Å; P171-V174 WeakPolarHBondContact O-CG2 3.34Å; P171-V174 PolarHBondContact O-N 3.16Å; S172-V174 PolarHBondContact O-N 3.02Å; V174-F178 HydrophobicContact CG1-CZ 3.83Å
175	G	88.6	Confident	94.4	Very high	31 Å²	31	45.6 Å²	45.6	32%	0.32	28%	0.278	S	S	.	.			trans	72.9	172.6	-179.6	0	0	0	0	0	114.4	S172 D173 F178	S172-G175 PolarHBondContact O-N 3.06Å; S172-G175 VanDerWaalsContact O-N 3.13Å; D173-G175 PolarHBondContact O-N 2.71Å; G175-F178 VanDerWaalsContact O-CE2 3.29Å; G175-F178 WeakPolarHBondContact O-CE2 3.27Å
176	S	83.1	Confident	94.5	Very high	62 Å²	62	44.7 Å²	44.7	43%	0.434	27%	0.271	S	S	.	.	S	Bend	trans	-120.7	25.7	-164.7	58	0	0	0	0	115.6	L207	S176-L207 CarbonylContact O-C 3.52Å; S176-L207 VanDerWaalsContact O-O 3.05Å
177	D	91.7	Very high	94.8	Very high	108 Å²	108	40.5 Å²	40.5	58%	0.578	24%	0.236	S	C	*	.			trans	-115.6	69.3	-177.7	-68.7	-43.2	0	0	0	111.8	K209	D177-K209 HydrophobicContact CB-CB 4.15Å
178	F	98.4	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.7	177.3	-64.7	-86.1	0	0	0	110.9	R78 L80 Y102 I169 V174 G175 I180 V181 L207 K209	R78-F178 HydrophobicContact CB-CD1 3.81Å; R78-F178 HydrophobicContact CB-CE1 4.4Å; L80-F178 HydrophobicContact CB-CB 4.28Å; L80-F178 HydrophobicContact CB-CD1 3.51Å; L80-F178 HydrophobicContact CB-CD2 3.82Å; L80-F178 HydrophobicContact CB-CE1 3.68Å; L80-F178 HydrophobicContact CB-CE2 3.98Å; L80-F178 HydrophobicContact CB-CG 3.58Å; L80-F178 HydrophobicContact CB-CZ 3.89Å; L80-F178 HydrophobicContact CD1-CZ 4.39Å; L80-F178 HydrophobicContact CD2-CD2 3.84Å; L80-F178 HydrophobicContact CD2-CE2 3.61Å; L80-F178 HydrophobicContact CD2-CG 4.45Å; L80-F178 HydrophobicContact CD2-CZ 4.03Å; L80-F178 HydrophobicContact CG-CD2 4.5Å; L80-F178 HydrophobicContact CG-CE2 4.34Å; L80-F178 HydrophobicContact CG-CZ 4.35Å; Y102-F178 HydrophobicContact CD2-CD1 4.4Å; Y102-F178 AromaticContact CD2-CE1 3.56Å; Y102-F178 HydrophobicContact CD2-CE1 3.56Å; Y102-F178 HydrophobicContact CD2-CZ 4.44Å; Y102-F178 HydrophobicContact CE2-CE1 4.02Å; Y102-F178 AromaticContact CG-CE1 3.91Å; Y102-F178 HydrophobicContact CG-CE1 3.91Å; Y102-F178 HydrophobicContact CG-CZ 4.41Å; I169-F178 HydrophobicContact CD1-CE2 3.78Å; I169-F178 HydrophobicContact CD1-CZ 3.99Å; V174-F178 HydrophobicContact CG1-CZ 3.83Å; G175-F178 VanDerWaalsContact O-CE2 3.29Å; G175-F178 WeakPolarHBondContact O-CE2 3.27Å; F178-I180 VanDerWaalsContact C-N 3.26Å; F178-V181 HydrophobicContact CB-CG2 3.87Å; F178-L207 HydrophobicContact CD2-CB 4.38Å; F178-L207 PolarHBondContact N-O 3.17Å; F178-K209 WeakPolarHBondContact O-CG 3.37Å; F178-K209 PolarHBondContact O-N 3.38Å
179	D	98.4	Very high	95	Very high	18 Å²	18	36 Å²	36	10%	0.096	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-35.8	175	-63.1	-77.6	0	0	0	111.3	C76 R77 R78 K209 G212 Y213	C76-D179 HydrophobicContact CB-CB 3.5Å; C76-D179 VanDerWaalsContact CB-CB 3.5Å; R77-D179 WeakPolarHBondContact CA-OD2 3.27Å; R77-D179 WeakPolarHBondContact CB-OD2 3.19Å; R77-D179 PolarHBondContact N-OD2 3.24Å; R78-D179 PolarHBondContact N-OD2 2.83Å; R78-D179 WeakPolarHBondContact O-CB 3.45Å; R78-D179 PolarHBondContact O-N 3.09Å; D179-K209 WeakPolarHBondContact OD1-CE 3.28Å; D179-K209 IonicContact OD1-NZ 3.52Å; D179-K209 PolarHBondContact OD1-NZ 3.35Å; D179-G212 CarbonylContact O-C 3.44Å; D179-G212 WeakPolarHBondContact O-CA 3.42Å; D179-Y213 PolarHBondContact O-N 3.2Å
180	I	98.6	Very high	95	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.9	178.3	-58.3	169.7	0	0	0	107.9	L73 C76 R78 L79 L80 F94 V98 F178 T182 Y213 V215	L73-I180 HydrophobicContact CD1-CD1 4Å; C76-I180 HydrophobicContact CB-CD1 3.94Å; C76-I180 HydrophobicContact CB-CG1 4.24Å; R78-I180 PolarHBondContact O-N 3.01Å; L79-I180 VanDerWaalsContact CA-O 3.28Å; L79-I180 WeakPolarHBondContact CA-O 3.31Å; L79-I180 HydrophobicContact CB-CB 4.33Å; L79-I180 HydrophobicContact CD1-CB 4.02Å; L79-I180 HydrophobicContact CD1-CD1 4.37Å; L79-I180 HydrophobicContact CD1-CG2 3.76Å; L79-I180 HydrophobicContact CG-CB 4.05Å; L79-I180 HydrophobicContact CG-CG2 4.05Å; L80-I180 PolarHBondContact N-O 2.83Å; F94-I180 HydrophobicContact CD1-CD1 4.28Å; F94-I180 HydrophobicContact CE1-CD1 3.95Å; V98-I180 HydrophobicContact CG1-CD1 4.04Å; F178-I180 VanDerWaalsContact C-N 3.26Å; I180-T182 HydrophobicContact CG2-CG2 3.93Å; I180-Y213 CarbonylContact C-O 3.56Å; I180-Y213 VanDerWaalsContact CA-O 3.27Å; I180-Y213 WeakPolarHBondContact CA-O 3.5Å; I180-V215 HydrophobicContact CG2-CG2 4.03Å
181	V	98.7	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.1	163.1	-178.8	0	0	0	0	107.8	L80 I82 F178 V204 L207 V208 Y213 L214 V215	L80-V181 HydrophobicContact CB-CG2 4.5Å; L80-V181 CarbonylContact O-C 3.59Å; L80-V181 VanDerWaalsContact O-CA 3.26Å; L80-V181 WeakPolarHBondContact O-CA 3.02Å; I82-V181 HydrophobicContact CG1-CG1 3.86Å; F178-V181 HydrophobicContact CB-CG2 3.87Å; V181-V204 HydrophobicContact CG1-CG1 3.97Å; V181-L207 HydrophobicContact CG2-CB 3.99Å; V181-V208 HydrophobicContact CB-CG2 3.65Å; V181-V208 HydrophobicContact CG2-CB 4.28Å; V181-V208 HydrophobicContact CG2-CG2 3.5Å; V181-Y213 PolarHBondContact N-O 2.93Å; V181-L214 HydrophobicContact CB-CD1 4.27Å; V181-L214 HydrophobicContact CG1-CD1 4.31Å; V181-L214 CarbonylContact O-C 3.38Å; V181-L214 WeakPolarHBondContact O-CA 3.39Å; V181-V215 PolarHBondContact O-N 2.84Å
182	T	98.9	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.4	171.7	59.7	0	0	0	0	109.8	L79 L80 D81 I82 F94 I180 F184 V215	L79-T182 HydrophobicContact CD1-CG2 4.12Å; L79-T182 HydrophobicContact CD2-CG2 4.42Å; L79-T182 HydrophobicContact CG-CG2 4.41Å; L80-T182 PolarHBondContact O-N 3.42Å; D81-T182 WeakPolarHBondContact CA-OG1 3.45Å; D81-T182 WeakPolarHBondContact CB-OG1 3.41Å; D81-T182 VanDerWaalsContact CG-OG1 3.27Å; D81-T182 PolarHBondContact OD1-OG1 2.83Å; I82-T182 PolarHBondContact N-O 3.02Å; F94-T182 HydrophobicContact CE2-CG2 4.21Å; F94-T182 HydrophobicContact CZ-CG2 4.37Å; I180-T182 HydrophobicContact CG2-CG2 3.93Å; T182-F184 HydrophobicContact CG2-CZ 4.27Å; T182-V215 CarbonylContact C-O 3.45Å; T182-V215 VanDerWaalsContact CA-O 3.29Å; T182-V215 WeakPolarHBondContact CA-O 3.21Å; T182-V215 HydrophobicContact CG2-CB 3.96Å; T182-V215 HydrophobicContact CG2-CG2 4.17Å
183	S	98.8	Very high	95.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	114.2	172.7	165.5	0	0	0	0	108.2	I82 V215 L216 A217	I82-S183 WeakPolarHBondContact O-CA 3.35Å; S183-V215 PolarHBondContact N-O 3.13Å; S183-L216 WeakPolarHBondContact O-CA 3.26Å; S183-L216 WeakPolarHBondContact O-CD1 3.29Å; S183-A217 PolarHBondContact O-N 3.47Å; S183-A217 VanDerWaalsContact O-N 3.14Å
184	F	98.5	Very high	96.1	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.2	-176.9	-55.5	-38.6	0	0	0	109.7	L66 H89 V90 T182 C186 V215 A217	L66-F184 HydrophobicContact CD1-CE1 4.49Å; L66-F184 HydrophobicContact CD1-CE2 3.99Å; L66-F184 HydrophobicContact CD1-CZ 3.52Å; L66-F184 HydrophobicContact CD2-CE2 3.7Å; L66-F184 HydrophobicContact CD2-CZ 4.14Å; L66-F184 HydrophobicContact CG-CE2 4.5Å; L66-F184 HydrophobicContact CG-CZ 4.46Å; H89-F184 AromaticContact NE2-CD2 3.28Å; H89-F184 VanDerWaalsContact NE2-CD2 3.28Å; H89-F184 WeakPolarHBondContact NE2-CD2 3.37Å; H89-F184 AromaticContact NE2-CE2 3.8Å; V90-F184 HydrophobicContact CG2-CD2 3.9Å; V90-F184 HydrophobicContact CG2-CE2 3.41Å; V90-F184 VanDerWaalsContact CG2-CE2 3.41Å; V90-F184 HydrophobicContact CG2-CZ 4.42Å; T182-F184 HydrophobicContact CG2-CZ 4.27Å; F184-C186 VanDerWaalsContact C-N 3.26Å; F184-C186 PolarHBondContact O-N 3.34Å; F184-V215 HydrophobicContact CE1-CB 4.28Å; F184-V215 HydrophobicContact CE1-CG1 3.83Å; F184-V215 WeakPolarHBondContact CE1-O 3.2Å; F184-V215 HydrophobicContact CZ-CB 4.43Å; F184-V215 HydrophobicContact CZ-CG1 3.98Å; F184-A217 WeakPolarHBondContact CA-O 3.48Å; F184-A217 HydrophobicContact CB-CB 4.4Å; F184-A217 HydrophobicContact CD1-CB 3.47Å; F184-A217 VanDerWaalsContact CD1-CB 3.47Å; F184-A217 HydrophobicContact CE1-CB 4.12Å; F184-A217 HydrophobicContact CG-CB 4.23Å
185	F	97.5	Very high	96.4	Very high	28 Å²	28	32 Å²	32	12%	0.123	18%	0.184	C	C	.	.	S	Bend	trans	51.1	47.8	178.8	-47.9	-76.8	0	0	0	112	A58 M59 V62 Y189 A217 V219	A58-F185 HydrophobicContact CB-CE1 4Å; A58-F185 HydrophobicContact CB-CZ 3.96Å; M59-F185 HydrophobicContact CE-CE2 4.24Å; M59-F185 HydrophobicContact SD-CD2 3.9Å; M59-F185 HydrophobicContact SD-CE2 3.46Å; M59-F185 WeakPolarHBondContact SD-CE2 3.47Å; M59-F185 HydrophobicContact SD-CZ 4.17Å; V62-F185 HydrophobicContact CB-CE2 4.29Å; V62-F185 HydrophobicContact CB-CZ 4.36Å; V62-F185 HydrophobicContact CG1-CE2 4.4Å; V62-F185 HydrophobicContact CG2-CE2 3.89Å; V62-F185 HydrophobicContact CG2-CZ 3.58Å; F185-Y189 VanDerWaalsContact CA-CE2 3.48Å; F185-Y189 HydrophobicContact CB-CD2 4.03Å; F185-Y189 HydrophobicContact CB-CE2 3.57Å; F185-Y189 HydrophobicContact CD1-CE2 4.11Å; F185-Y189 HydrophobicContact CG-CE2 4.36Å; F185-Y189 WeakPolarHBondContact O-CD2 3.38Å; F185-A217 PolarHBondContact N-O 3.38Å; F185-V219 HydrophobicContact CD1-CG2 4.07Å; F185-V219 HydrophobicContact CE1-CG2 3.77Å
186	C	98.4	Very high	96.8	Very high	19 Å²	19	32.2 Å²	32.2	13%	0.128	18%	0.177	C	C	.	.			trans	-124	-59.5	-173.6	177.1	0	0	0	0	112.9	F184 E188 Y189 A190	F184-C186 VanDerWaalsContact C-N 3.26Å; F184-C186 PolarHBondContact O-N 3.34Å; C186-E188 PolarHBondContact O-N 3.06Å; C186-Y189 CarbonylContact O-C 3.51Å; C186-Y189 PolarHBondContact O-N 3.42Å; C186-Y189 VanDerWaalsContact O-N 3.14Å; C186-A190 WeakPolarHBondContact O-CB 3.37Å; C186-A190 PolarHBondContact O-N 2.87Å
187	I	98.3	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-53.3	-167.3	-59.2	-179.1	0	0	0	111	I163 Y189 A190 V191 Y197 A200 L201 V204 L216	I163-I187 HydrophobicContact CD1-CB 4.44Å; I163-I187 HydrophobicContact CD1-CG1 4.33Å; I163-I187 HydrophobicContact CD1-CG2 4.48Å; I187-Y189 PolarHBondContact O-N 3.41Å; I187-A190 PolarHBondContact O-N 3.11Å; I187-A190 VanDerWaalsContact O-N 3.12Å; I187-V191 WeakPolarHBondContact O-CG1 3.39Å; I187-V191 VanDerWaalsContact O-CG2 3.26Å; I187-V191 WeakPolarHBondContact O-CG2 3.46Å; I187-V191 PolarHBondContact O-N 3.23Å; I187-Y197 HydrophobicContact CB-CE2 4.21Å; I187-Y197 HydrophobicContact CG2-CD2 3.85Å; I187-Y197 HydrophobicContact CG2-CE1 4.41Å; I187-Y197 HydrophobicContact CG2-CE2 3.58Å; I187-Y197 HydrophobicContact CG2-CG 4.34Å; I187-A200 HydrophobicContact CG2-CB 3.84Å; I187-L201 HydrophobicContact CD1-CD1 3.79Å; I187-V204 HydrophobicContact CD1-CB 4.34Å; I187-V204 HydrophobicContact CD1-CG1 4.38Å; I187-V204 HydrophobicContact CD1-CG2 4.26Å; I187-L216 HydrophobicContact CD1-CD1 3.74Å; I187-L216 HydrophobicContact CG1-CD1 4.38Å
188	E	97.3	Very high	97.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.3	178.2	69.1	-80.4	-150.7	0	0	112.6	C186 Y197 G218 Y235	C186-E188 PolarHBondContact O-N 3.06Å; E188-Y197 HydrophobicContact CB-CE2 4.03Å; E188-G218 WeakPolarHBondContact OE1-CA 3.17Å; E188-Y235 WeakPolarHBondContact O-CB 3.41Å; E188-Y235 PolarHBondContact O-N 3.42Å
189	Y	97.4	Very high	97.8	Very high	19 Å²	19	33 Å²	33	8%	0.075	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-18.6	177.9	-60.9	-82.8	0	0	0	112.7	Y30 F185 C186 I187 E222 Y225 C234	Y30-Y189 WeakPolarHBondContact CE2-O 3.36Å; Y30-Y189 PolarHBondContact OH-O 2.69Å; F185-Y189 VanDerWaalsContact CA-CE2 3.48Å; F185-Y189 HydrophobicContact CB-CD2 4.03Å; F185-Y189 HydrophobicContact CB-CE2 3.57Å; F185-Y189 HydrophobicContact CD1-CE2 4.11Å; F185-Y189 HydrophobicContact CG-CE2 4.36Å; F185-Y189 WeakPolarHBondContact O-CD2 3.38Å; C186-Y189 CarbonylContact O-C 3.51Å; C186-Y189 PolarHBondContact O-N 3.42Å; C186-Y189 VanDerWaalsContact O-N 3.14Å; I187-Y189 PolarHBondContact O-N 3.41Å; Y189-E222 WeakPolarHBondContact CE1-OE2 3.44Å; Y189-E222 PolarHBondContact OH-OE2 3.32Å; Y189-Y225 AromaticContact CD1-CD1 3.36Å; Y189-Y225 HydrophobicContact CD1-CD1 3.36Å; Y189-Y225 HydrophobicContact CD1-CD2 4.39Å; Y189-Y225 AromaticContact CD1-CE1 3.3Å; Y189-Y225 HydrophobicContact CD1-CE1 3.3Å; Y189-Y225 HydrophobicContact CD1-CE2 4.3Å; Y189-Y225 AromaticContact CD1-CG 3.95Å; Y189-Y225 HydrophobicContact CD1-CG 3.95Å; Y189-Y225 AromaticContact CD1-CZ 3.82Å; Y189-Y225 AromaticContact CE1-CD1 3.47Å; Y189-Y225 HydrophobicContact CE1-CD1 3.47Å; Y189-Y225 VanDerWaalsContact CE1-CD1 3.47Å; Y189-Y225 HydrophobicContact CE1-CD2 4.26Å; Y189-Y225 AromaticContact CE1-CE1 3.93Å; Y189-Y225 HydrophobicContact CE1-CE1 3.93Å; Y189-Y225 AromaticContact CE1-CG 3.68Å; Y189-Y225 HydrophobicContact CE1-CG 3.68Å; Y189-Y225 HydrophobicContact CG-CE1 4.3Å; Y189-C234 HydrophobicContact CD1-CB 3.51Å; Y189-C234 HydrophobicContact CE1-CB 3.88Å; Y189-C234 HydrophobicContact CG-CB 4.19Å
190	A	97.2	Very high	97.8	Very high	22 Å²	22	32.1 Å²	32.1	18%	0.182	16%	0.162	C	C	.	.	S	Bend	trans	-97	0.3	179.7	0	0	0	0	0	113.4	R27 I163 C186 I187	R27-A190 WeakPolarHBondContact CD-O 3.14Å; R27-A190 PolarHBondContact NH1-O 2.93Å; I163-A190 HydrophobicContact CD1-CB 3.62Å; I163-A190 HydrophobicContact CG1-CB 4.25Å; C186-A190 WeakPolarHBondContact O-CB 3.37Å; C186-A190 PolarHBondContact O-N 2.87Å; I187-A190 PolarHBondContact O-N 3.11Å; I187-A190 VanDerWaalsContact O-N 3.12Å
191	V	97.5	Very high	97.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	16%	0.162	C	C	.	.			trans	-129.7	157.3	-175.1	-54.8	0	0	0	0	113.1	L164 I187 E196 Y197 A200 Y235	L164-V191 HydrophobicContact CD2-CG1 4Å; I187-V191 WeakPolarHBondContact O-CG1 3.39Å; I187-V191 VanDerWaalsContact O-CG2 3.26Å; I187-V191 WeakPolarHBondContact O-CG2 3.46Å; I187-V191 PolarHBondContact O-N 3.23Å; V191-E196 HydrophobicContact CB-CB 3.8Å; V191-E196 HydrophobicContact CG1-CB 4Å; V191-Y197 HydrophobicContact CG2-CD2 3.68Å; V191-Y197 HydrophobicContact CG2-CG 4.2Å; V191-A200 HydrophobicContact CG1-CB 3.83Å; V191-Y235 HydrophobicContact CG2-CD1 4.47Å; V191-Y235 HydrophobicContact CG2-CG 4.06Å
192	R	95.2	Very high	97.7	Very high	119 Å²	119	35.1 Å²	35.1	45%	0.449	18%	0.183	S	C	.	.	S	Bend	trans	-118.2	-20.9	-178.4	-61.7	-178.4	-66	-160.9	-5.8	113.5	D28 E196	D28-R192 IonicContact OD2-CZ 2.71Å; D28-R192 IonicContact OD2-NH1 3.4Å; D28-R192 PolarHBondContact OD2-NH1 2.86Å; D28-R192 IonicContact OD2-NH2 2.67Å; R192-E196 PolarHBondContact N-OE2 3.37Å; R192-E196 IonicContact NH2-OE1 3.82Å
193	T	96.5	Very high	97.7	Very high	64 Å²	64	36.7 Å²	36.7	39%	0.393	19%	0.192	S	C	.	.	S	Bend	trans	-134.2	158	-173	69.2	0	0	0	0	111	A195 E196 Y197 Y235	T193-A195 VanDerWaalsContact C-N 3.26Å; T193-A195 PolarHBondContact O-N 3.14Å; T193-E196 PolarHBondContact N-OE2 3.29Å; T193-E196 PolarHBondContact O-N 3.37Å; T193-E196 VanDerWaalsContact O-N 3.1Å; T193-E196 WeakPolarHBondContact OG1-CG 2.95Å; T193-E196 PolarHBondContact OG1-N 3.13Å; T193-Y197 PolarHBondContact O-N 3.37Å; T193-Y235 VanDerWaalsContact C-CE2 3.46Å
194	H	97.1	Very high	97.6	Very high	93 Å²	93	36.7 Å²	36.7	43%	0.431	19%	0.192	S	C	.	.	H	α-helix	trans	-51.9	-46.2	172.7	179	76.3	0	0	0	111.9	E196 Y197 C198 Y235 E241	H194-E196 VanDerWaalsContact C-N 3.29Å; H194-E196 PolarHBondContact O-N 3.48Å; H194-Y197 PolarHBondContact O-N 3.28Å; H194-Y197 VanDerWaalsContact O-N 3.15Å; H194-C198 VanDerWaalsContact CE1-SG 3.58Å; H194-C198 PolarHBondContact NE2-SG 2.82Å; H194-C198 VanDerWaalsContact NE2-SG 3.37Å; H194-C198 PolarHBondContact O-N 2.9Å; H194-C198 PolarHBondContact O-SG 3.01Å; H194-Y235 WeakPolarHBondContact CA-OH 3.3Å; H194-Y235 HydrophobicContact CB-CE2 4.44Å; H194-Y235 WeakPolarHBondContact CB-OH 3.35Å; H194-Y235 VanDerWaalsContact N-CE2 3.3Å; H194-E241 IonicContact CE1-OE1 3.58Å; H194-E241 PolarHBondContact CE1-OE1 3.13Å; H194-E241 IonicContact CG-OE1 3.58Å; H194-E241 IonicContact ND1-OE1 2.68Å; H194-E241 PolarHBondContact ND1-OE1 2.91Å
195	A	97.8	Very high	97.5	Very high	69 Å²	69	36.3 Å²	36.3	57%	0.57	19%	0.19	S	C	*	.	H	α-helix	trans	-62.3	-36.9	-179.4	0	0	0	0	0	112.7	T193 R199	T193-A195 VanDerWaalsContact C-N 3.26Å; T193-A195 PolarHBondContact O-N 3.14Å; A195-R199 WeakPolarHBondContact O-CB 3.37Å; A195-R199 PolarHBondContact O-N 3.12Å
196	E	97.7	Very high	97.5	Very high	36 Å²	36	36.4 Å²	36.4	17%	0.168	20%	0.2	C	C	.	.	H	α-helix	trans	-71.3	-40.2	174.8	-71.1	175.1	166.9	0	0	111.8	R27 L164 V191 R192 T193 H194 R199 A200	R27-E196 IonicContact CZ-OE1 2.69Å; R27-E196 IonicContact CZ-OE2 3.97Å; R27-E196 IonicContact NH1-OE1 3.51Å; R27-E196 PolarHBondContact NH1-OE1 2.97Å; R27-E196 IonicContact NH1-OE2 2.66Å; R27-E196 PolarHBondContact NH1-OE2 3.08Å; R27-E196 VanDerWaalsContact NH2-CD 3.31Å; R27-E196 IonicContact NH2-OE1 3.48Å; R27-E196 PolarHBondContact NH2-OE1 3.07Å; R27-E196 IonicContact NH2-OE2 3.41Å; R27-E196 PolarHBondContact NH2-OE2 2.77Å; L164-E196 HydrophobicContact CD2-CB 4.07Å; L164-E196 HydrophobicContact CD2-CG 4.42Å; V191-E196 HydrophobicContact CB-CB 3.8Å; V191-E196 HydrophobicContact CG1-CB 4Å; R192-E196 PolarHBondContact N-OE2 3.37Å; R192-E196 IonicContact NH2-OE1 3.82Å; T193-E196 PolarHBondContact N-OE2 3.29Å; T193-E196 PolarHBondContact O-N 3.37Å; T193-E196 VanDerWaalsContact O-N 3.1Å; T193-E196 WeakPolarHBondContact OG1-CG 2.95Å; T193-E196 PolarHBondContact OG1-N 3.13Å; H194-E196 VanDerWaalsContact C-N 3.29Å; H194-E196 PolarHBondContact O-N 3.48Å; E196-R199 PolarHBondContact O-N 3.28Å; E196-A200 VanDerWaalsContact O-CB 3.29Å; E196-A200 WeakPolarHBondContact O-CB 3.2Å; E196-A200 PolarHBondContact O-N 2.83Å
197	Y	98.1	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-46.3	174.5	-167.4	-76.8	0	0	0	110.9	I187 E188 V191 T193 H194 R199 A200 L201 Y235 L237 L245	I187-Y197 HydrophobicContact CB-CE2 4.21Å; I187-Y197 HydrophobicContact CG2-CD2 3.85Å; I187-Y197 HydrophobicContact CG2-CE1 4.41Å; I187-Y197 HydrophobicContact CG2-CE2 3.58Å; I187-Y197 HydrophobicContact CG2-CG 4.34Å; E188-Y197 HydrophobicContact CB-CE2 4.03Å; V191-Y197 HydrophobicContact CG2-CD2 3.68Å; V191-Y197 HydrophobicContact CG2-CG 4.2Å; T193-Y197 PolarHBondContact O-N 3.37Å; H194-Y197 PolarHBondContact O-N 3.28Å; H194-Y197 VanDerWaalsContact O-N 3.15Å; Y197-R199 VanDerWaalsContact C-N 3.33Å; Y197-R199 PolarHBondContact O-N 3.42Å; Y197-A200 PolarHBondContact O-N 3.2Å; Y197-L201 HydrophobicContact CD1-CB 4.49Å; Y197-L201 HydrophobicContact CE1-CB 4.27Å; Y197-L201 HydrophobicContact CE1-CD2 4.22Å; Y197-L201 WeakPolarHBondContact O-CB 3.26Å; Y197-L201 PolarHBondContact O-N 3.06Å; Y197-Y235 AromaticContact CD2-CD1 3.52Å; Y197-Y235 HydrophobicContact CD2-CD1 3.52Å; Y197-Y235 HydrophobicContact CD2-CE1 4.01Å; Y197-Y235 HydrophobicContact CD2-CG 4.35Å; Y197-Y235 HydrophobicContact CE2-CD1 4.31Å; Y197-Y235 AromaticContact CG-CD1 3.99Å; Y197-Y235 HydrophobicContact CG-CD1 3.99Å; Y197-Y235 HydrophobicContact CG-CE1 4.04Å; Y197-L237 HydrophobicContact CD1-CD1 4.35Å; Y197-L237 HydrophobicContact CD2-CD1 4.47Å; Y197-L237 HydrophobicContact CE1-CD1 3.83Å; Y197-L237 HydrophobicContact CE2-CD1 3.98Å; Y197-L237 HydrophobicContact CE2-CD2 3.98Å; Y197-L237 HydrophobicContact CE2-CG 4.39Å; Y197-L237 WeakPolarHBondContact OH-CD2 3.29Å; Y197-L245 HydrophobicContact CD1-CD1 3.47Å; Y197-L245 VanDerWaalsContact CD1-CD1 3.47Å; Y197-L245 HydrophobicContact CE1-CD1 3.82Å
198	C	97.9	Very high	97.4	Very high	32 Å²	32	36 Å²	36	22%	0.216	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-46.3	174.8	-65.5	0	0	0	0	111.9	H194 S202 L245	H194-C198 VanDerWaalsContact CE1-SG 3.58Å; H194-C198 PolarHBondContact NE2-SG 2.82Å; H194-C198 VanDerWaalsContact NE2-SG 3.37Å; H194-C198 PolarHBondContact O-N 2.9Å; H194-C198 PolarHBondContact O-SG 3.01Å; C198-S202 VanDerWaalsContact O-CB 3.27Å; C198-S202 WeakPolarHBondContact O-CB 3.28Å; C198-S202 PolarHBondContact O-N 3.44Å; C198-L245 WeakPolarHBondContact SG-CD2 3.46Å
199	R	98.2	Very high	97.4	Very high	155 Å²	155	39.4 Å²	39.4	59%	0.585	21%	0.211	S	C	*	.	H	α-helix	trans	-62.4	-49.3	177.2	178.9	177.2	-69.2	173.2	-1.1	111.2	A195 E196 Y197 S202 N203	A195-R199 WeakPolarHBondContact O-CB 3.37Å; A195-R199 PolarHBondContact O-N 3.12Å; E196-R199 PolarHBondContact O-N 3.28Å; Y197-R199 VanDerWaalsContact C-N 3.33Å; Y197-R199 PolarHBondContact O-N 3.42Å; R199-S202 PolarHBondContact O-N 3.46Å; R199-N203 VanDerWaalsContact O-CB 3.3Å; R199-N203 WeakPolarHBondContact O-CB 3.49Å; R199-N203 VanDerWaalsContact O-CG 3.24Å; R199-N203 PolarHBondContact O-N 2.82Å
200	A	98.4	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-46.1	-178.6	0	0	0	0	0	111.8	I163 L164 I187 V191 E196 Y197 N203 V204	I163-A200 HydrophobicContact CB-CB 4.32Å; I163-A200 HydrophobicContact CD1-CB 3.74Å; I163-A200 HydrophobicContact CG1-CB 3.89Å; I163-A200 WeakPolarHBondContact O-CA 3.26Å; L164-A200 HydrophobicContact CD2-CB 4.2Å; I187-A200 HydrophobicContact CG2-CB 3.84Å; V191-A200 HydrophobicContact CG1-CB 3.83Å; E196-A200 VanDerWaalsContact O-CB 3.29Å; E196-A200 WeakPolarHBondContact O-CB 3.2Å; E196-A200 PolarHBondContact O-N 2.83Å; Y197-A200 PolarHBondContact O-N 3.2Å; A200-N203 PolarHBondContact O-N 3.32Å; A200-V204 WeakPolarHBondContact O-CB 3.37Å; A200-V204 VanDerWaalsContact O-CG2 3.3Å; A200-V204 WeakPolarHBondContact O-CG2 3.39Å; A200-V204 PolarHBondContact O-N 2.77Å
201	L	98.1	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-42.2	177.5	-171.5	68.1	0	0	0	111.7	I187 Y197 N203 V204 T205 L245 L246	I187-L201 HydrophobicContact CD1-CD1 3.79Å; Y197-L201 HydrophobicContact CD1-CB 4.49Å; Y197-L201 HydrophobicContact CE1-CB 4.27Å; Y197-L201 HydrophobicContact CE1-CD2 4.22Å; Y197-L201 WeakPolarHBondContact O-CB 3.26Å; Y197-L201 PolarHBondContact O-N 3.06Å; L201-N203 VanDerWaalsContact C-N 3.32Å; L201-N203 PolarHBondContact O-N 2.98Å; L201-V204 PolarHBondContact O-N 2.58Å; L201-T205 HydrophobicContact CD1-CG2 4.2Å; L201-T205 HydrophobicContact CG-CG2 4.25Å; L201-T205 WeakPolarHBondContact O-CB 3.2Å; L201-T205 VanDerWaalsContact O-CG2 3.3Å; L201-T205 WeakPolarHBondContact O-CG2 3.46Å; L201-T205 PolarHBondContact O-N 3.19Å; L201-T205 PolarHBondContact O-OG1 2.91Å; L201-L245 HydrophobicContact CD2-CB 3.64Å; L201-L246 HydrophobicContact CD1-CD2 4.2Å; L201-L246 HydrophobicContact CD2-CD2 4.22Å; L201-L246 HydrophobicContact CD2-CG 4.37Å
202	S	97.5	Very high	97.2	Very high	62 Å²	62	43.9 Å²	43.9	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-41.6	175.8	179.6	0	0	0	0	111.9	C198 R199 T205 G206	C198-S202 VanDerWaalsContact O-CB 3.27Å; C198-S202 WeakPolarHBondContact O-CB 3.28Å; C198-S202 PolarHBondContact O-N 3.44Å; R199-S202 PolarHBondContact O-N 3.46Å; S202-T205 WeakPolarHBondContact CA-OG1 3.21Å; S202-T205 PolarHBondContact O-OG1 2.89Å; S202-T205 VanDerWaalsContact O-OG1 3.09Å; S202-G206 PolarHBondContact O-N 3.3Å
203	N	97.5	Very high	97.4	Very high	34 Å²	34	40.3 Å²	40.3	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-47.3	176.4	-79.4	-9.3	0	0	0	112.1	I163 S165 V168 R199 A200 L201 G206 L207	I163-N203 WeakPolarHBondContact O-CB 3.47Å; I163-N203 PolarHBondContact O-ND2 2.85Å; S165-N203 PolarHBondContact O-ND2 2.95Å; V168-N203 HydrophobicContact CG2-CB 3.64Å; R199-N203 VanDerWaalsContact O-CB 3.3Å; R199-N203 WeakPolarHBondContact O-CB 3.49Å; R199-N203 VanDerWaalsContact O-CG 3.24Å; R199-N203 PolarHBondContact O-N 2.82Å; A200-N203 PolarHBondContact O-N 3.32Å; L201-N203 VanDerWaalsContact C-N 3.32Å; L201-N203 PolarHBondContact O-N 2.98Å; N203-G206 PolarHBondContact O-N 3.12Å; N203-L207 PolarHBondContact O-N 2.85Å
204	V	97.9	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-46.3	179.9	171.6	0	0	0	0	111.7	I82 I163 V181 I187 A200 L201 G206 L207 L214	I82-V204 HydrophobicContact CG2-CG2 4.04Å; I163-V204 HydrophobicContact CB-CG2 4.1Å; I163-V204 HydrophobicContact CG2-CG2 3.75Å; V181-V204 HydrophobicContact CG1-CG1 3.97Å; I187-V204 HydrophobicContact CD1-CB 4.34Å; I187-V204 HydrophobicContact CD1-CG1 4.38Å; I187-V204 HydrophobicContact CD1-CG2 4.26Å; A200-V204 WeakPolarHBondContact O-CB 3.37Å; A200-V204 VanDerWaalsContact O-CG2 3.3Å; A200-V204 WeakPolarHBondContact O-CG2 3.39Å; A200-V204 PolarHBondContact O-N 2.77Å; L201-V204 PolarHBondContact O-N 2.58Å; V204-G206 PolarHBondContact O-N 2.88Å; V204-L207 WeakPolarHBondContact O-CB 3.12Å; V204-L207 PolarHBondContact O-N 3.34Å; V204-L207 VanDerWaalsContact O-N 3.15Å; V204-L214 HydrophobicContact CG1-CD1 4Å
205	T	96.8	Very high	97.5	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-30.9	175.1	52.6	0	0	0	0	111.9	L201 S202 L207 V208 L214 C249 M251 R273	L201-T205 HydrophobicContact CD1-CG2 4.2Å; L201-T205 HydrophobicContact CG-CG2 4.25Å; L201-T205 WeakPolarHBondContact O-CB 3.2Å; L201-T205 VanDerWaalsContact O-CG2 3.3Å; L201-T205 WeakPolarHBondContact O-CG2 3.46Å; L201-T205 PolarHBondContact O-N 3.19Å; L201-T205 PolarHBondContact O-OG1 2.91Å; S202-T205 WeakPolarHBondContact CA-OG1 3.21Å; S202-T205 PolarHBondContact O-OG1 2.89Å; S202-T205 VanDerWaalsContact O-OG1 3.09Å; T205-L207 PolarHBondContact O-N 2.6Å; T205-V208 WeakPolarHBondContact O-CB 3.03Å; T205-V208 PolarHBondContact O-N 3.4Å; T205-L214 HydrophobicContact CG2-CD2 4.06Å; T205-C249 HydrophobicContact CG2-CB 3.98Å; T205-C249 WeakPolarHBondContact OG1-CB 3.47Å; T205-M251 HydrophobicContact CG2-CG 3.73Å; T205-M251 HydrophobicContact CG2-SD 3.79Å; T205-R273 PolarHBondContact O-NH1 2.99Å; T205-R273 VanDerWaalsContact O-NH1 3.11Å
206	G	96.3	Very high	97.5	Very high	31 Å²	31	29.5 Å²	29.5	32%	0.32	16%	0.159	S	C	.	.	H	α-helix	trans	-56.4	-28.1	172.4	0	0	0	0	0	114.4	S202 N203 V204 R273	S202-G206 PolarHBondContact O-N 3.3Å; N203-G206 PolarHBondContact O-N 3.12Å; V204-G206 PolarHBondContact O-N 2.88Å; G206-R273 PolarHBondContact O-NH1 2.82Å
207	L	97.4	Very high	97.6	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.9	177	-59.4	169.6	0	0	0	113.5	L80 I82 V168 I169 S176 F178 V181 N203 V204 T205	L80-L207 HydrophobicContact CD2-CB 4.44Å; L80-L207 HydrophobicContact CD2-CD1 3.69Å; I82-L207 HydrophobicContact CD1-CD1 3.8Å; I82-L207 HydrophobicContact CG1-CD1 4.19Å; V168-L207 HydrophobicContact CB-CD1 3.93Å; V168-L207 HydrophobicContact CB-CD2 4.42Å; V168-L207 HydrophobicContact CG1-CD1 3.73Å; V168-L207 HydrophobicContact CG2-CD1 4.41Å; I169-L207 HydrophobicContact CG2-CD1 4.49Å; S176-L207 CarbonylContact O-C 3.52Å; S176-L207 VanDerWaalsContact O-O 3.05Å; F178-L207 HydrophobicContact CD2-CB 4.38Å; F178-L207 PolarHBondContact N-O 3.17Å; V181-L207 HydrophobicContact CG2-CB 3.99Å; N203-L207 PolarHBondContact O-N 2.85Å; V204-L207 WeakPolarHBondContact O-CB 3.12Å; V204-L207 PolarHBondContact O-N 3.34Å; V204-L207 VanDerWaalsContact O-N 3.15Å; T205-L207 PolarHBondContact O-N 2.6Å
208	V	97.6	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.3	175.1	-174.8	0	0	0	0	107.3	V181 T205 L214 R273	V181-V208 HydrophobicContact CB-CG2 3.65Å; V181-V208 HydrophobicContact CG2-CB 4.28Å; V181-V208 HydrophobicContact CG2-CG2 3.5Å; T205-V208 WeakPolarHBondContact O-CB 3.03Å; T205-V208 PolarHBondContact O-N 3.4Å; V208-L214 HydrophobicContact CG2-CB 4.3Å; V208-L214 HydrophobicContact CG2-CD1 4.43Å; V208-R273 HydrophobicContact CB-CB 4.34Å; V208-R273 HydrophobicContact CG1-CB 3.87Å; V208-R273 WeakPolarHBondContact O-CD 3.26Å; V208-R273 PolarHBondContact O-NH1 2.67Å
209	K	97.1	Very high	97.5	Very high	74 Å²	74	27.2 Å²	27.2	32%	0.322	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	160.2	175.6	76.4	179.4	-162.6	172	0	111.2	D177 F178 D179 G211 G212	D177-K209 HydrophobicContact CB-CB 4.15Å; F178-K209 WeakPolarHBondContact O-CG 3.37Å; F178-K209 PolarHBondContact O-N 3.38Å; D179-K209 WeakPolarHBondContact OD1-CE 3.28Å; D179-K209 IonicContact OD1-NZ 3.52Å; D179-K209 PolarHBondContact OD1-NZ 3.35Å; K209-G211 PolarHBondContact O-N 3.21Å; K209-G212 WeakPolarHBondContact O-CA 3.17Å; K209-G212 PolarHBondContact O-N 2.95Å
210	M	96.2	Very high	97.5	Very high	106 Å²	106	20.1 Å²	20.1	52%	0.522	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	127	170.3	-71.9	-61.1	-66.4	0	0	111.7	G212 R273 I274	M210-G212 PolarHBondContact O-N 3.16Å; M210-R273 HydrophobicContact SD-CG 4.32Å; M210-I274 WeakPolarHBondContact CE-O 3.41Å
211	G	95.7	Very high	97.4	Very high	32 Å²	32	22.8 Å²	22.8	33%	0.33	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.5	2.1	-174	0	0	0	0	0	115.2	K209 K272 R273	K209-G211 PolarHBondContact O-N 3.21Å; G211-K272 VanDerWaalsContact O-CE 3.23Å; G211-K272 WeakPolarHBondContact O-CE 3.15Å; G211-R273 VanDerWaalsContact CA-O 3.29Å; G211-R273 WeakPolarHBondContact CA-O 3.48Å; G211-R273 PolarHBondContact N-O 3.37Å
212	G	97.1	Very high	97.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-176.8	170	0	0	0	0	0	112.8	D179 K209 M210 K272 R273	D179-G212 CarbonylContact O-C 3.44Å; D179-G212 WeakPolarHBondContact O-CA 3.42Å; K209-G212 WeakPolarHBondContact O-CA 3.17Å; K209-G212 PolarHBondContact O-N 2.95Å; M210-G212 PolarHBondContact O-N 3.16Å; G212-K272 CarbonylContact O-C 3.46Å; G212-K272 WeakPolarHBondContact O-CA 3.39Å; G212-K272 WeakPolarHBondContact O-CG 3.38Å; G212-R273 PolarHBondContact O-N 2.88Å
213	Y	97.8	Very high	97.2	Very high	43 Å²	43	25.5 Å²	25.5	17%	0.169	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.4	-171.2	-59	-89.9	0	0	0	112.2	L73 P74 D179 I180 V181 V270 G271 K272	L73-Y213 HydrophobicContact CD2-CD1 3.56Å; L73-Y213 HydrophobicContact CD2-CD2 3.93Å; L73-Y213 HydrophobicContact CD2-CE1 3.98Å; L73-Y213 HydrophobicContact CD2-CE2 4.34Å; L73-Y213 HydrophobicContact CD2-CG 3.52Å; P74-Y213 HydrophobicContact CG-CE2 3.69Å; D179-Y213 PolarHBondContact O-N 3.2Å; I180-Y213 CarbonylContact C-O 3.56Å; I180-Y213 VanDerWaalsContact CA-O 3.27Å; I180-Y213 WeakPolarHBondContact CA-O 3.5Å; V181-Y213 PolarHBondContact N-O 2.93Å; Y213-V270 HydrophobicContact CD1-CG1 3.87Å; Y213-V270 HydrophobicContact CG-CG1 4.49Å; Y213-G271 CarbonylContact C-O 3.54Å; Y213-G271 WeakPolarHBondContact CA-O 3.28Å; Y213-K272 HydrophobicContact CD1-CB 4.21Å; Y213-K272 HydrophobicContact CD1-CG 4.41Å; Y213-K272 HydrophobicContact CE1-CB 4.16Å; Y213-K272 HydrophobicContact CE1-CD 4.23Å; Y213-K272 HydrophobicContact CE1-CG 4.14Å
214	L	98.1	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128	162.7	-178.9	70.7	0	0	0	108	V181 V204 T205 V208 L216 L246 M251 V270 G271	V181-L214 HydrophobicContact CB-CD1 4.27Å; V181-L214 HydrophobicContact CG1-CD1 4.31Å; V181-L214 CarbonylContact O-C 3.38Å; V181-L214 WeakPolarHBondContact O-CA 3.39Å; V204-L214 HydrophobicContact CG1-CD1 4Å; T205-L214 HydrophobicContact CG2-CD2 4.06Å; V208-L214 HydrophobicContact CG2-CB 4.3Å; V208-L214 HydrophobicContact CG2-CD1 4.43Å; L214-L216 HydrophobicContact CD2-CB 4.17Å; L214-L216 HydrophobicContact CG-CB 4.2Å; L214-L246 HydrophobicContact CD2-CD2 3.83Å; L214-M251 HydrophobicContact CB-CE 3.42Å; L214-M251 VanDerWaalsContact CB-CE 3.42Å; L214-M251 HydrophobicContact CB-SD 4.48Å; L214-M251 HydrophobicContact CD2-CE 4.38Å; L214-V270 CarbonylContact O-C 3.52Å; L214-V270 VanDerWaalsContact O-CA 3.27Å; L214-V270 WeakPolarHBondContact O-CA 3.19Å; L214-G271 PolarHBondContact N-O 3.15Å; L214-G271 PolarHBondContact O-N 3.05Å
215	V	98.3	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.1	166.1	-166	0	0	0	0	107.5	L66 V69 L73 I180 V181 T182 S183 F184 L269 V270	L66-V215 HydrophobicContact CD1-CG1 4.34Å; V69-V215 HydrophobicContact CG1-CG1 4.32Å; L73-V215 HydrophobicContact CD1-CG2 3.91Å; I180-V215 HydrophobicContact CG2-CG2 4.03Å; V181-V215 PolarHBondContact O-N 2.84Å; T182-V215 CarbonylContact C-O 3.45Å; T182-V215 VanDerWaalsContact CA-O 3.29Å; T182-V215 WeakPolarHBondContact CA-O 3.21Å; T182-V215 HydrophobicContact CG2-CB 3.96Å; T182-V215 HydrophobicContact CG2-CG2 4.17Å; S183-V215 PolarHBondContact N-O 3.13Å; F184-V215 HydrophobicContact CE1-CB 4.28Å; F184-V215 HydrophobicContact CE1-CG1 3.83Å; F184-V215 WeakPolarHBondContact CE1-O 3.2Å; F184-V215 HydrophobicContact CZ-CB 4.43Å; F184-V215 HydrophobicContact CZ-CG1 3.98Å; V215-L269 CarbonylContact C-O 3.49Å; V215-L269 WeakPolarHBondContact CA-O 3.47Å; V215-V270 HydrophobicContact CG1-CG2 4.13Å; V215-V270 HydrophobicContact CG2-CG2 4.18Å
216	L	98.3	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.3	-173.8	-172.6	77.4	0	0	0	109.4	S183 I187 L214 L242 F267 L268 L269	S183-L216 WeakPolarHBondContact O-CA 3.26Å; S183-L216 WeakPolarHBondContact O-CD1 3.29Å; I187-L216 HydrophobicContact CD1-CD1 3.74Å; I187-L216 HydrophobicContact CG1-CD1 4.38Å; L214-L216 HydrophobicContact CD2-CB 4.17Å; L214-L216 HydrophobicContact CG-CB 4.2Å; L216-L242 HydrophobicContact CD2-CD1 3.87Å; L216-F267 HydrophobicContact CB-CE2 4.46Å; L216-F267 HydrophobicContact CD2-CE2 3.96Å; L216-F267 HydrophobicContact CD2-CZ 4.17Å; L216-F267 HydrophobicContact CG-CE2 3.96Å; L216-F267 HydrophobicContact CG-CZ 4.29Å; L216-L268 CarbonylContact O-C 3.58Å; L216-L268 WeakPolarHBondContact O-CA 3.3Å; L216-L269 HydrophobicContact CB-CD1 4.07Å; L216-L269 HydrophobicContact CB-CD2 4.32Å; L216-L269 HydrophobicContact CB-CG 3.93Å; L216-L269 HydrophobicContact CD2-CD2 4.25Å; L216-L269 PolarHBondContact N-O 3.32Å; L216-L269 PolarHBondContact O-N 3.42Å
217	A	98.4	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.2	172.1	0	0	0	0	0	109.9	V62 S183 F184 F185 F267 L268	V62-A217 HydrophobicContact CG1-CB 4.34Å; V62-A217 HydrophobicContact CG2-CB 3.78Å; S183-A217 PolarHBondContact O-N 3.47Å; S183-A217 VanDerWaalsContact O-N 3.14Å; F184-A217 WeakPolarHBondContact CA-O 3.48Å; F184-A217 HydrophobicContact CB-CB 4.4Å; F184-A217 HydrophobicContact CD1-CB 3.47Å; F184-A217 VanDerWaalsContact CD1-CB 3.47Å; F184-A217 HydrophobicContact CE1-CB 4.12Å; F184-A217 HydrophobicContact CG-CB 4.23Å; F185-A217 PolarHBondContact N-O 3.38Å; A217-F267 WeakPolarHBondContact CA-O 2.92Å; A217-F267 VanDerWaalsContact CB-O 3.26Å; A217-F267 WeakPolarHBondContact CB-O 3.36Å; A217-L268 HydrophobicContact CB-CB 4.27Å; A217-L268 HydrophobicContact CB-CG 4.37Å
218	G	97.8	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-173.5	-175.7	0	0	0	0	0	112.2	E188 F267	E188-G218 WeakPolarHBondContact OE1-CA 3.17Å; G218-F267 VanDerWaalsContact C-CD1 3.47Å; G218-F267 VanDerWaalsContact C-CE1 3.4Å; G218-F267 PolarHBondContact N-O 3.27Å; G218-F267 WeakPolarHBondContact O-CD1 3.35Å; G218-F267 PolarHBondContact O-N 2.86Å
219	V	97.1	Very high	96.4	Very high	20 Å²	20	37.4 Å²	37.4	12%	0.121	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.3	176	-168.3	0	0	0	0	109.5	A58 F185 E222 V266	A58-V219 HydrophobicContact CB-CG2 4.32Å; F185-V219 HydrophobicContact CD1-CG2 4.07Å; F185-V219 HydrophobicContact CE1-CG2 3.77Å; V219-E222 HydrophobicContact CB-CB 4Å; V219-E222 HydrophobicContact CG1-CB 3.86Å; V219-V266 HydrophobicContact CG2-CG2 4.45Å
220	L	97.9	Very high	96.3	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	151.3	173.6	-58	171.7	0	0	0	110	E222 L237 E239 L242 D265 F267	L220-E222 PolarHBondContact O-N 3.46Å; L220-L237 CarbonylContact C-O 3.56Å; L220-L237 WeakPolarHBondContact CA-O 3.33Å; L220-L237 HydrophobicContact CD2-CD2 4.18Å; L220-L237 HydrophobicContact CD2-CG 4.25Å; L220-E239 HydrophobicContact CD1-CB 3.89Å; L220-E239 HydrophobicContact CD1-CG 4.27Å; L220-L242 HydrophobicContact CD2-CD2 4.23Å; L220-D265 HydrophobicContact CB-CB 4.03Å; L220-D265 WeakPolarHBondContact CB-O 3.49Å; L220-D265 PolarHBondContact N-O 2.67Å; L220-D265 WeakPolarHBondContact O-CB 3.35Å; L220-F267 HydrophobicContact CD2-CD1 3.79Å; L220-F267 HydrophobicContact CD2-CE1 3.92Å; L220-F267 HydrophobicContact CG-CD1 3.75Å; L220-F267 HydrophobicContact CG-CE1 4.32Å
221	S	96.4	Very high	96.3	Very high	56 Å²	56	34.2 Å²	34.2	39%	0.392	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	2.4	176.8	-57.9	0	0	0	0	116.2	L237	S221-L237 PolarHBondContact N-O 2.94Å
222	E	96	Very high	96.4	Very high	52 Å²	52	32.7 Å²	32.7	24%	0.243	18%	0.184	C	C	.	.			trans	-69.6	146.5	173.4	-164.3	175.4	-115.4	0	0	110.4	Y189 V219 L220 W224 R236	Y189-E222 WeakPolarHBondContact CE1-OE2 3.44Å; Y189-E222 PolarHBondContact OH-OE2 3.32Å; V219-E222 HydrophobicContact CB-CB 4Å; V219-E222 HydrophobicContact CG1-CB 3.86Å; L220-E222 PolarHBondContact O-N 3.46Å; E222-W224 VanDerWaalsContact CD-O 3.31Å; E222-W224 WeakPolarHBondContact CG-O 3.34Å; E222-R236 VanDerWaalsContact O-CA 3.27Å; E222-R236 WeakPolarHBondContact O-CA 3.34Å
223	T	96.3	Very high	96.4	Very high	67 Å²	67	34 Å²	34	41%	0.411	19%	0.193	S	C	.	.			trans	-126.8	-15.4	179.2	54.5	0	0	0	0	112.7	S233 C234 R236	T223-S233 WeakPolarHBondContact O-CA 3.32Å; T223-C234 PolarHBondContact O-N 2.78Å; T223-R236 HydrophobicContact CG2-CB 3.93Å; T223-R236 HydrophobicContact CG2-CG 3.85Å
224	W	96.4	Very high	96.4	Very high	110 Å²	110	32.6 Å²	32.6	42%	0.417	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	158.7	176.7	62.1	-90	0	0	0	110.4	M24 E222 Q226 R231 F232 C234	M24-W224 HydrophobicContact CE-CB 3.82Å; M24-W224 HydrophobicContact CE-CG 4.21Å; M24-W224 HydrophobicContact SD-CB 3.94Å; E222-W224 VanDerWaalsContact CD-O 3.31Å; E222-W224 WeakPolarHBondContact CG-O 3.34Å; W224-Q226 HydrophobicContact CE3-CB 4.21Å; W224-Q226 HydrophobicContact CZ3-CB 3.81Å; W224-R231 HydrophobicContact CB-CG 4.17Å; W224-R231 HydrophobicContact CD2-CG 4.23Å; W224-R231 HydrophobicContact CE3-CG 3.83Å; W224-R231 HydrophobicContact CG-CG 4.39Å; W224-F232 CarbonylContact C-O 3.55Å; W224-F232 WeakPolarHBondContact CA-O 3.41Å; W224-F232 VanDerWaalsContact CB-O 3.29Å; W224-F232 WeakPolarHBondContact CB-O 3.28Å; W224-C234 PolarHBondContact N-SG 3.44Å; W224-C234 VanDerWaalsContact N-SG 3.37Å
225	Y	94.9	Very high	96.4	Very high	20 Å²	20	34.1 Å²	34.1	8%	0.078	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.4	173.8	68	-67	0	0	0	109.6	Y30 Y189 F227 F232	Y30-Y225 WeakPolarHBondContact CE1-OH 3.23Å; Y30-Y225 PolarHBondContact OH-OH 2.86Å; Y189-Y225 AromaticContact CD1-CD1 3.36Å; Y189-Y225 HydrophobicContact CD1-CD1 3.36Å; Y189-Y225 HydrophobicContact CD1-CD2 4.39Å; Y189-Y225 AromaticContact CD1-CE1 3.3Å; Y189-Y225 HydrophobicContact CD1-CE1 3.3Å; Y189-Y225 HydrophobicContact CD1-CE2 4.3Å; Y189-Y225 AromaticContact CD1-CG 3.95Å; Y189-Y225 HydrophobicContact CD1-CG 3.95Å; Y189-Y225 AromaticContact CD1-CZ 3.82Å; Y189-Y225 AromaticContact CE1-CD1 3.47Å; Y189-Y225 HydrophobicContact CE1-CD1 3.47Å; Y189-Y225 VanDerWaalsContact CE1-CD1 3.47Å; Y189-Y225 HydrophobicContact CE1-CD2 4.26Å; Y189-Y225 AromaticContact CE1-CE1 3.93Å; Y189-Y225 HydrophobicContact CE1-CE1 3.93Å; Y189-Y225 AromaticContact CE1-CG 3.68Å; Y189-Y225 HydrophobicContact CE1-CG 3.68Å; Y189-Y225 HydrophobicContact CG-CE1 4.3Å; Y225-F227 AromaticContact CD2-CD1 3.99Å; Y225-F227 HydrophobicContact CD2-CD1 3.99Å; Y225-F227 AromaticContact CD2-CE1 3.92Å; Y225-F227 HydrophobicContact CD2-CE1 3.92Å; Y225-F227 AromaticContact CE2-CD1 3.97Å; Y225-F227 HydrophobicContact CE2-CD1 3.97Å; Y225-F227 AromaticContact CE2-CE1 3.42Å; Y225-F227 HydrophobicContact CE2-CE1 3.42Å; Y225-F227 VanDerWaalsContact CE2-CE1 3.42Å; Y225-F232 HydrophobicContact CD1-CB 3.74Å; Y225-F232 WeakPolarHBondContact CD1-O 3.4Å; Y225-F232 HydrophobicContact CE1-CB 3.19Å; Y225-F232 HydrophobicContact CE1-CG 4.13Å; Y225-F232 HydrophobicContact CE2-CB 4.36Å; Y225-F232 HydrophobicContact CE2-CD2 4.33Å; Y225-F232 HydrophobicContact CG-CB 4.48Å; Y225-F232 AromaticContact CZ-CG 3.99Å; Y225-F232 PolarHBondContact N-O 2.93Å; Y225-F232 PolarHBondContact O-N 3.39Å
226	Q	94.4	Very high	96.4	Very high	79 Å²	79	40.1 Å²	40.1	37%	0.369	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.6	-171.3	173.8	171.5	-30.6	0	0	112.1	W224 R230	W224-Q226 HydrophobicContact CE3-CB 4.21Å; W224-Q226 HydrophobicContact CZ3-CB 3.81Å; Q226-R230 VanDerWaalsContact CA-O 3.3Å; Q226-R230 WeakPolarHBondContact CA-O 3.42Å; Q226-R230 WeakPolarHBondContact CG-O 3.42Å
227	F	94.3	Very high	96.3	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	158.9	169.8	60.6	-83	0	0	0	108.9	F34 A38 Y39 A42 F43 Y225 G229 R230 F232	F34-F227 HydrophobicContact CD2-CE1 4.35Å; F34-F227 HydrophobicContact CD2-CE2 4.39Å; F34-F227 AromaticContact CD2-CZ 3.54Å; F34-F227 HydrophobicContact CD2-CZ 3.54Å; F34-F227 HydrophobicContact CE1-CZ 4.5Å; F34-F227 HydrophobicContact CE2-CE1 4.05Å; F34-F227 HydrophobicContact CE2-CE2 4.36Å; F34-F227 AromaticContact CE2-CZ 3.49Å; F34-F227 HydrophobicContact CE2-CZ 3.49Å; F34-F227 VanDerWaalsContact CE2-CZ 3.49Å; F34-F227 HydrophobicContact CG-CZ 4.07Å; F34-F227 HydrophobicContact CZ-CE2 4.48Å; F34-F227 AromaticContact CZ-CZ 4Å; F34-F227 HydrophobicContact CZ-CZ 4Å; A38-F227 HydrophobicContact CB-CD2 4.06Å; Y39-F227 HydrophobicContact CD2-CD1 4.2Å; Y39-F227 HydrophobicContact CD2-CE1 4.16Å; Y39-F227 HydrophobicContact CD2-CG 4.42Å; Y39-F227 HydrophobicContact CD2-CZ 4.31Å; A42-F227 HydrophobicContact CB-CB 3.58Å; F43-F227 HydrophobicContact CE2-CB 3.81Å; F43-F227 AromaticContact CE2-CD1 3.83Å; F43-F227 HydrophobicContact CE2-CD1 3.83Å; F43-F227 AromaticContact CE2-CG 3.99Å; F43-F227 HydrophobicContact CE2-CG 3.99Å; F43-F227 HydrophobicContact CZ-CB 4.27Å; F43-F227 HydrophobicContact CZ-CD1 4.37Å; Y225-F227 AromaticContact CD2-CD1 3.99Å; Y225-F227 HydrophobicContact CD2-CD1 3.99Å; Y225-F227 AromaticContact CD2-CE1 3.92Å; Y225-F227 HydrophobicContact CD2-CE1 3.92Å; Y225-F227 AromaticContact CE2-CD1 3.97Å; Y225-F227 HydrophobicContact CE2-CD1 3.97Å; Y225-F227 AromaticContact CE2-CE1 3.42Å; Y225-F227 HydrophobicContact CE2-CE1 3.42Å; Y225-F227 VanDerWaalsContact CE2-CE1 3.42Å; F227-G229 PolarHBondContact O-N 2.96Å; F227-G229 VanDerWaalsContact O-N 3.09Å; F227-R230 PolarHBondContact N-O 3.02Å; F227-R230 VanDerWaalsContact N-O 3.17Å; F227-R230 PolarHBondContact O-N 3.28Å; F227-R230 VanDerWaalsContact O-O 3.13Å; F227-F232 HydrophobicContact CD1-CD2 4.27Å; F227-F232 HydrophobicContact CD1-CE2 4.16Å; F227-F232 AromaticContact CE1-CD2 3.57Å; F227-F232 HydrophobicContact CE1-CD2 3.57Å; F227-F232 AromaticContact CE1-CE2 3.38Å; F227-F232 HydrophobicContact CE1-CE2 3.38Å; F227-F232 HydrophobicContact CE1-CZ 4.32Å; F227-F232 HydrophobicContact CE2-CE2 4.15Å; F227-F232 HydrophobicContact CZ-CD2 4.04Å; F227-F232 AromaticContact CZ-CE2 3.39Å; F227-F232 HydrophobicContact CZ-CE2 3.39Å; F227-F232 AromaticContact CZ-CZ 3.95Å; F227-F232 HydrophobicContact CZ-CZ 3.95Å
228	G	93.2	Very high	96.3	Very high	53 Å²	53	42.4 Å²	42.4	55%	0.546	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	28.3	175.2	0	0	0	0	0	115.4	R230	G228-R230 PolarHBondContact O-N 2.64Å
229	G	92.9	Very high	96.2	Very high	60 Å²	60	45.8 Å²	45.8	62%	0.619	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	29.8	-175.2	0	0	0	0	0	113.2	M22 F227	M22-G229 WeakPolarHBondContact CE-O 3.4Å; F227-G229 PolarHBondContact O-N 2.96Å; F227-G229 VanDerWaalsContact O-N 3.09Å
230	R	94.9	Very high	96.2	Very high	85 Å²	85	51 Å²	51	32%	0.321	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.9	176.6	-70.1	178	176.2	163.6	-1.8	110.2	L25 A33 Q226 F227 G228 F232	L25-R230 HydrophobicContact CD1-CB 3.94Å; L25-R230 HydrophobicContact CD1-CG 4.13Å; A33-R230 VanDerWaalsContact CA-NH1 3.26Å; A33-R230 WeakPolarHBondContact O-CD 3.33Å; A33-R230 PolarHBondContact O-NH1 3.11Å; Q226-R230 VanDerWaalsContact CA-O 3.3Å; Q226-R230 WeakPolarHBondContact CA-O 3.42Å; Q226-R230 WeakPolarHBondContact CG-O 3.42Å; F227-R230 PolarHBondContact N-O 3.02Å; F227-R230 VanDerWaalsContact N-O 3.17Å; F227-R230 PolarHBondContact O-N 3.28Å; F227-R230 VanDerWaalsContact O-O 3.13Å; G228-R230 PolarHBondContact O-N 2.64Å; R230-F232 HydrophobicContact CB-CD2 4.42Å; R230-F232 HydrophobicContact CB-CE2 3.62Å; R230-F232 HydrophobicContact CB-CZ 3.95Å
231	R	96.5	Very high	96.2	Very high	29 Å²	29	52 Å²	52	11%	0.109	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.3	176.9	-175.7	178.2	-71.1	159.7	-0.6	109.2	D19 M24 L25 W224	D19-R231 IonicContact OD1-CZ 2.76Å; D19-R231 IonicContact OD1-NH1 3.32Å; D19-R231 PolarHBondContact OD1-NH1 3.22Å; D19-R231 IonicContact OD1-NH2 3.11Å; D19-R231 PolarHBondContact OD1-NH2 3.08Å; M24-R231 HydrophobicContact CE-CG 3.97Å; M24-R231 HydrophobicContact SD-CG 3.69Å; L25-R231 VanDerWaalsContact CB-O 3.32Å; L25-R231 WeakPolarHBondContact CB-O 3.35Å; L25-R231 PolarHBondContact N-O 2.62Å; W224-R231 HydrophobicContact CB-CG 4.17Å; W224-R231 HydrophobicContact CD2-CG 4.23Å; W224-R231 HydrophobicContact CE3-CG 3.83Å; W224-R231 HydrophobicContact CG-CG 4.39Å
232	F	97.3	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.8	-178.1	-62.7	-89.2	0	0	0	109.8	L25 Y30 A33 W224 Y225 F227 R230	L25-F232 HydrophobicContact CB-CD1 3.55Å; L25-F232 HydrophobicContact CB-CE1 3.86Å; L25-F232 HydrophobicContact CB-CG 4.28Å; L25-F232 HydrophobicContact CD1-CD1 4.08Å; L25-F232 HydrophobicContact CD1-CE1 3.61Å; L25-F232 HydrophobicContact CD1-CE2 4.49Å; L25-F232 HydrophobicContact CD1-CZ 3.84Å; L25-F232 HydrophobicContact CG-CD1 4.49Å; L25-F232 HydrophobicContact CG-CE1 4.42Å; L25-F232 CarbonylContact O-C 3.6Å; L25-F232 VanDerWaalsContact O-CA 3.3Å; L25-F232 WeakPolarHBondContact O-CA 3.2Å; Y30-F232 AromaticContact CD1-CD1 3.75Å; Y30-F232 HydrophobicContact CD1-CD1 3.75Å; Y30-F232 AromaticContact CD1-CE1 3.81Å; Y30-F232 HydrophobicContact CD1-CE1 3.81Å; Y30-F232 HydrophobicContact CE1-CB 4.35Å; Y30-F232 AromaticContact CE1-CD1 3.46Å; Y30-F232 HydrophobicContact CE1-CD1 3.46Å; Y30-F232 VanDerWaalsContact CE1-CD1 3.46Å; Y30-F232 AromaticContact CE1-CE1 3.98Å; Y30-F232 HydrophobicContact CE1-CE1 3.98Å; Y30-F232 HydrophobicContact CE1-CG 4.1Å; A33-F232 HydrophobicContact CB-CE1 3.94Å; A33-F232 HydrophobicContact CB-CZ 4.14Å; W224-F232 CarbonylContact C-O 3.55Å; W224-F232 WeakPolarHBondContact CA-O 3.41Å; W224-F232 VanDerWaalsContact CB-O 3.29Å; W224-F232 WeakPolarHBondContact CB-O 3.28Å; Y225-F232 HydrophobicContact CD1-CB 3.74Å; Y225-F232 WeakPolarHBondContact CD1-O 3.4Å; Y225-F232 HydrophobicContact CE1-CB 3.19Å; Y225-F232 HydrophobicContact CE1-CG 4.13Å; Y225-F232 HydrophobicContact CE2-CB 4.36Å; Y225-F232 HydrophobicContact CE2-CD2 4.33Å; Y225-F232 HydrophobicContact CG-CB 4.48Å; Y225-F232 AromaticContact CZ-CG 3.99Å; Y225-F232 PolarHBondContact N-O 2.93Å; Y225-F232 PolarHBondContact O-N 3.39Å; F227-F232 HydrophobicContact CD1-CD2 4.27Å; F227-F232 HydrophobicContact CD1-CE2 4.16Å; F227-F232 AromaticContact CE1-CD2 3.57Å; F227-F232 HydrophobicContact CE1-CD2 3.57Å; F227-F232 AromaticContact CE1-CE2 3.38Å; F227-F232 HydrophobicContact CE1-CE2 3.38Å; F227-F232 HydrophobicContact CE1-CZ 4.32Å; F227-F232 HydrophobicContact CE2-CE2 4.15Å; F227-F232 HydrophobicContact CZ-CD2 4.04Å; F227-F232 AromaticContact CZ-CE2 3.39Å; F227-F232 HydrophobicContact CZ-CE2 3.39Å; F227-F232 AromaticContact CZ-CZ 3.95Å; F227-F232 HydrophobicContact CZ-CZ 3.95Å; R230-F232 HydrophobicContact CB-CD2 4.42Å; R230-F232 HydrophobicContact CB-CE2 3.62Å; R230-F232 HydrophobicContact CB-CZ 3.95Å
233	S	97.3	Very high	96.3	Very high	28 Å²	28	48.7 Å²	48.7	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.1	173.9	65.5	0	0	0	0	111.2	M24 L25 T223	M24-S233 PolarHBondContact SD-N 2.94Å; M24-S233 VanDerWaalsContact SD-N 3.43Å; L25-S233 PolarHBondContact O-N 3.47Å; L25-S233 PolarHBondContact O-OG 2.72Å; T223-S233 WeakPolarHBondContact O-CA 3.32Å
234	C	97.4	Very high	96.3	Very high	13 Å²	13	48.3 Å²	48.3	9%	0.088	26%	0.255	C	S	.	.			trans	-131.2	161.4	167.2	58.2	0	0	0	0	110.8	Y189 T223 W224	Y189-C234 HydrophobicContact CD1-CB 3.51Å; Y189-C234 HydrophobicContact CE1-CB 3.88Å; Y189-C234 HydrophobicContact CG-CB 4.19Å; T223-C234 PolarHBondContact O-N 2.78Å; W224-C234 PolarHBondContact N-SG 3.44Å; W224-C234 VanDerWaalsContact N-SG 3.37Å
235	Y	98	Very high	96.4	Very high	33 Å²	33	43.2 Å²	43.2	13%	0.129	24%	0.236	C	C	.	.			trans	-72.3	127.9	176.2	179.6	-102.6	0	0	0	110.8	E188 V191 T193 H194 Y197 L237 E241	E188-Y235 WeakPolarHBondContact O-CB 3.41Å; E188-Y235 PolarHBondContact O-N 3.42Å; V191-Y235 HydrophobicContact CG2-CD1 4.47Å; V191-Y235 HydrophobicContact CG2-CG 4.06Å; T193-Y235 VanDerWaalsContact C-CE2 3.46Å; H194-Y235 WeakPolarHBondContact CA-OH 3.3Å; H194-Y235 HydrophobicContact CB-CE2 4.44Å; H194-Y235 WeakPolarHBondContact CB-OH 3.35Å; H194-Y235 VanDerWaalsContact N-CE2 3.3Å; Y197-Y235 AromaticContact CD2-CD1 3.52Å; Y197-Y235 HydrophobicContact CD2-CD1 3.52Å; Y197-Y235 HydrophobicContact CD2-CE1 4.01Å; Y197-Y235 HydrophobicContact CD2-CG 4.35Å; Y197-Y235 HydrophobicContact CE2-CD1 4.31Å; Y197-Y235 AromaticContact CG-CD1 3.99Å; Y197-Y235 HydrophobicContact CG-CD1 3.99Å; Y197-Y235 HydrophobicContact CG-CE1 4.04Å; Y235-L237 HydrophobicContact CD1-CB 4.32Å; Y235-L237 HydrophobicContact CE1-CD1 4.34Å; Y235-L237 PolarHBondContact O-N 3.45Å; Y235-E241 PolarHBondContact OH-OE1 3.43Å; Y235-E241 PolarHBondContact OH-OE2 3.44Å
236	R	98	Very high	96.5	Very high	126 Å²	126	42.3 Å²	42.3	48%	0.475	23%	0.233	S	C	.	.			trans	-74.4	90.1	177.5	-161.5	-171.3	70.3	84.4	10.4	111.3	E222 T223	E222-R236 VanDerWaalsContact O-CA 3.27Å; E222-R236 WeakPolarHBondContact O-CA 3.34Å; T223-R236 HydrophobicContact CG2-CB 3.93Å; T223-R236 HydrophobicContact CG2-CG 3.85Å
237	L	98.1	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.			trans	-82.5	130.8	173.9	-175.9	68.9	0	0	0	110.7	Y197 L220 S221 Y235 E241 L242 F267	Y197-L237 HydrophobicContact CD1-CD1 4.35Å; Y197-L237 HydrophobicContact CD2-CD1 4.47Å; Y197-L237 HydrophobicContact CE1-CD1 3.83Å; Y197-L237 HydrophobicContact CE2-CD1 3.98Å; Y197-L237 HydrophobicContact CE2-CD2 3.98Å; Y197-L237 HydrophobicContact CE2-CG 4.39Å; Y197-L237 WeakPolarHBondContact OH-CD2 3.29Å; L220-L237 CarbonylContact C-O 3.56Å; L220-L237 WeakPolarHBondContact CA-O 3.33Å; L220-L237 HydrophobicContact CD2-CD2 4.18Å; L220-L237 HydrophobicContact CD2-CG 4.25Å; S221-L237 PolarHBondContact N-O 2.94Å; Y235-L237 HydrophobicContact CD1-CB 4.32Å; Y235-L237 HydrophobicContact CE1-CD1 4.34Å; Y235-L237 PolarHBondContact O-N 3.45Å; L237-E241 HydrophobicContact CD1-CB 4.21Å; L237-E241 HydrophobicContact CD1-CG 3.95Å; L237-L242 HydrophobicContact CD1-CB 4.31Å; L237-L242 HydrophobicContact CD2-CB 4.05Å; L237-L242 HydrophobicContact CD2-CD1 4.15Å; L237-L242 HydrophobicContact CD2-CG 4.48Å; L237-L242 HydrophobicContact CG-CB 4.24Å; L237-F267 HydrophobicContact CD2-CE1 4.34Å; L237-F267 HydrophobicContact CD2-CZ 4.43Å
238	D	96.6	Very high	96.7	Very high	47 Å²	47	48.5 Å²	48.5	25%	0.251	26%	0.264	S	S	.	.			trans	-102.6	162.9	166.7	73.6	72.4	0	0	0	112.7	N240 E241 L242	D238-N240 PolarHBondContact O-N 3.25Å; D238-N240 WeakPolarHBondContact OD1-CB 3.07Å; D238-N240 PolarHBondContact OD1-N 3.33Å; D238-E241 PolarHBondContact O-N 3Å; D238-E241 PolarHBondContact OD1-N 2.79Å; D238-L242 PolarHBondContact O-N 2.88Å
239	E	97	Very high	96.8	Very high	72 Å²	72	47 Å²	47	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-41.2	-174.9	-170	169.7	-128.6	0	0	112.7	L220 E241 L242 F243 Y260 N262	L220-E239 HydrophobicContact CD1-CB 3.89Å; L220-E239 HydrophobicContact CD1-CG 4.27Å; E239-E241 VanDerWaalsContact C-N 3.35Å; E239-L242 PolarHBondContact O-N 3.32Å; E239-F243 HydrophobicContact CG-CD2 3.97Å; E239-F243 HydrophobicContact CG-CE2 3.72Å; E239-F243 WeakPolarHBondContact O-CD2 3.14Å; E239-F243 PolarHBondContact O-N 2.92Å; E239-F243 VanDerWaalsContact O-N 3.16Å; E239-Y260 WeakPolarHBondContact CG-OH 3.14Å; E239-Y260 WeakPolarHBondContact OE1-CE1 3.28Å; E239-Y260 VanDerWaalsContact OE1-CZ 3.23Å; E239-Y260 PolarHBondContact OE1-OH 2.65Å; E239-N262 PolarHBondContact OE1-ND2 3.48Å
240	N	96.6	Very high	97	Very high	129 Å²	129	44.3 Å²	44.3	69%	0.69	22%	0.218	S	C	*	.	H	α-helix	trans	-68.5	-40.2	-179.4	-66.9	-46.1	0	0	0	110.6	D238 S244	D238-N240 PolarHBondContact O-N 3.25Å; D238-N240 WeakPolarHBondContact OD1-CB 3.07Å; D238-N240 PolarHBondContact OD1-N 3.33Å; N240-S244 VanDerWaalsContact O-CB 3.28Å; N240-S244 WeakPolarHBondContact O-CB 3.2Å; N240-S244 PolarHBondContact O-N 2.94Å
241	E	97.4	Very high	97.1	Very high	25 Å²	25	40.4 Å²	40.4	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-49.2	173.4	-175.7	178.9	-164	0	0	111.2	H194 Y235 L237 D238 E239 F243 S244 L245	H194-E241 IonicContact CE1-OE1 3.58Å; H194-E241 PolarHBondContact CE1-OE1 3.13Å; H194-E241 IonicContact CG-OE1 3.58Å; H194-E241 IonicContact ND1-OE1 2.68Å; H194-E241 PolarHBondContact ND1-OE1 2.91Å; Y235-E241 PolarHBondContact OH-OE1 3.43Å; Y235-E241 PolarHBondContact OH-OE2 3.44Å; L237-E241 HydrophobicContact CD1-CB 4.21Å; L237-E241 HydrophobicContact CD1-CG 3.95Å; D238-E241 PolarHBondContact O-N 3Å; D238-E241 PolarHBondContact OD1-N 2.79Å; E239-E241 VanDerWaalsContact C-N 3.35Å; E241-F243 PolarHBondContact O-N 2.9Å; E241-S244 PolarHBondContact O-N 2.96Å; E241-L245 HydrophobicContact CG-CD1 3.7Å; E241-L245 HydrophobicContact CG-CG 4.15Å; E241-L245 WeakPolarHBondContact O-CB 3.48Å; E241-L245 VanDerWaalsContact O-CG 3.27Å; E241-L245 WeakPolarHBondContact O-CG 3.27Å; E241-L245 PolarHBondContact O-N 3.37Å
242	L	97.7	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-51.5	-53.1	177.6	171.6	59.6	0	0	0	111.6	L216 L220 L237 D238 E239 L245 L246 F267 L269	L216-L242 HydrophobicContact CD2-CD1 3.87Å; L220-L242 HydrophobicContact CD2-CD2 4.23Å; L237-L242 HydrophobicContact CD1-CB 4.31Å; L237-L242 HydrophobicContact CD2-CB 4.05Å; L237-L242 HydrophobicContact CD2-CD1 4.15Å; L237-L242 HydrophobicContact CD2-CG 4.48Å; L237-L242 HydrophobicContact CG-CB 4.24Å; D238-L242 PolarHBondContact O-N 2.88Å; E239-L242 PolarHBondContact O-N 3.32Å; L242-L245 PolarHBondContact O-N 2.77Å; L242-L246 HydrophobicContact CD1-CD1 3.73Å; L242-L246 HydrophobicContact CD1-CG 4.05Å; L242-L246 HydrophobicContact CG-CD1 3.98Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.19Å; L242-L246 PolarHBondContact O-N 2.98Å; L242-F267 HydrophobicContact CD1-CZ 4.47Å; L242-F267 HydrophobicContact CD2-CD1 4.41Å; L242-F267 HydrophobicContact CD2-CD2 3.93Å; L242-F267 HydrophobicContact CD2-CE1 4.22Å; L242-F267 HydrophobicContact CD2-CE2 3.74Å; L242-F267 HydrophobicContact CD2-CG 4.26Å; L242-F267 HydrophobicContact CD2-CZ 3.88Å; L242-L269 HydrophobicContact CD1-CD2 4.2Å; L242-L269 HydrophobicContact CD2-CD2 3.87Å; L242-L269 HydrophobicContact CG-CD2 4.3Å
243	F	97.1	Very high	96.5	Very high	39 Å²	39	40.5 Å²	40.5	17%	0.171	21%	0.207	C	C	.	.	H	α-helix	trans	-69.2	-37.1	-179	-73.3	-63.5	0	0	0	113.1	E239 E241 L245 L246 N247 T253 L258 Y260	E239-F243 HydrophobicContact CG-CD2 3.97Å; E239-F243 HydrophobicContact CG-CE2 3.72Å; E239-F243 WeakPolarHBondContact O-CD2 3.14Å; E239-F243 PolarHBondContact O-N 2.92Å; E239-F243 VanDerWaalsContact O-N 3.16Å; E241-F243 PolarHBondContact O-N 2.9Å; F243-L245 VanDerWaalsContact C-N 3.34Å; F243-L245 PolarHBondContact O-N 2.94Å; F243-L246 HydrophobicContact CD1-CD1 4.33Å; F243-N247 PolarHBondContact O-N 3.43Å; F243-N247 PolarHBondContact O-ND2 2.54Å; F243-T253 HydrophobicContact CD1-CG2 3.93Å; F243-L258 HydrophobicContact CE1-CD1 4.35Å; F243-L258 HydrophobicContact CE1-CD2 3.65Å; F243-L258 HydrophobicContact CZ-CD2 4.19Å; F243-Y260 HydrophobicContact CE2-CD1 4.25Å; F243-Y260 AromaticContact CE2-CE1 3.79Å; F243-Y260 HydrophobicContact CE2-CE1 3.79Å; F243-Y260 HydrophobicContact CE2-CE2 4.27Å; F243-Y260 AromaticContact CE2-CZ 3.79Å; F243-Y260 AromaticContact CZ-CD1 3.7Å; F243-Y260 HydrophobicContact CZ-CD1 3.7Å; F243-Y260 AromaticContact CZ-CD2 3.84Å; F243-Y260 HydrophobicContact CZ-CD2 3.84Å; F243-Y260 AromaticContact CZ-CE1 3.66Å; F243-Y260 HydrophobicContact CZ-CE1 3.66Å; F243-Y260 AromaticContact CZ-CE2 3.78Å; F243-Y260 HydrophobicContact CZ-CE2 3.78Å; F243-Y260 AromaticContact CZ-CG 3.78Å; F243-Y260 HydrophobicContact CZ-CG 3.78Å; F243-Y260 AromaticContact CZ-CZ 3.7Å
244	S	96.9	Very high	96	Very high	59 Å²	59	46.6 Å²	46.6	41%	0.413	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-45	175.9	-171.9	0	0	0	0	111.1	N240 E241 N247 Q248	N240-S244 VanDerWaalsContact O-CB 3.28Å; N240-S244 WeakPolarHBondContact O-CB 3.2Å; N240-S244 PolarHBondContact O-N 2.94Å; E241-S244 PolarHBondContact O-N 2.96Å; S244-N247 PolarHBondContact O-N 2.92Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.33Å; S244-Q248 PolarHBondContact O-N 3.3Å; S244-Q248 PolarHBondContact O-NE2 3.43Å; S244-Q248 PolarHBondContact OG-NE2 3.03Å; S244-Q248 VanDerWaalsContact OG-NE2 3.16Å
245	L	97.4	Very high	95.1	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-71.4	-38.4	-179.4	-65.1	-178.5	0	0	0	112.6	Y197 C198 L201 E241 L242 F243 N247 Q248 C249	Y197-L245 HydrophobicContact CD1-CD1 3.47Å; Y197-L245 VanDerWaalsContact CD1-CD1 3.47Å; Y197-L245 HydrophobicContact CE1-CD1 3.82Å; C198-L245 WeakPolarHBondContact SG-CD2 3.46Å; L201-L245 HydrophobicContact CD2-CB 3.64Å; E241-L245 HydrophobicContact CG-CD1 3.7Å; E241-L245 HydrophobicContact CG-CG 4.15Å; E241-L245 WeakPolarHBondContact O-CB 3.48Å; E241-L245 VanDerWaalsContact O-CG 3.27Å; E241-L245 WeakPolarHBondContact O-CG 3.27Å; E241-L245 PolarHBondContact O-N 3.37Å; L242-L245 PolarHBondContact O-N 2.77Å; F243-L245 VanDerWaalsContact C-N 3.34Å; F243-L245 PolarHBondContact O-N 2.94Å; L245-N247 VanDerWaalsContact C-N 3.34Å; L245-N247 PolarHBondContact O-N 3.32Å; L245-Q248 PolarHBondContact O-N 2.91Å; L245-C249 WeakPolarHBondContact O-CB 3.5Å; L245-C249 PolarHBondContact O-N 2.57Å; L245-C249 PolarHBondContact O-SG 2.92Å
246	L	97.6	Very high	94.4	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-46.2	172.4	-77.4	171	0	0	0	111.4	L201 L214 L242 F243 Q248 C249 G250 M251 T253 L269	L201-L246 HydrophobicContact CD1-CD2 4.2Å; L201-L246 HydrophobicContact CD2-CD2 4.22Å; L201-L246 HydrophobicContact CD2-CG 4.37Å; L214-L246 HydrophobicContact CD2-CD2 3.83Å; L242-L246 HydrophobicContact CD1-CD1 3.73Å; L242-L246 HydrophobicContact CD1-CG 4.05Å; L242-L246 HydrophobicContact CG-CD1 3.98Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.19Å; L242-L246 PolarHBondContact O-N 2.98Å; F243-L246 HydrophobicContact CD1-CD1 4.33Å; L246-Q248 PolarHBondContact O-N 2.51Å; L246-C249 CarbonylContact O-C 3.54Å; L246-C249 PolarHBondContact O-N 3.06Å; L246-C249 VanDerWaalsContact O-N 3.15Å; L246-G250 PolarHBondContact O-N 3.09Å; L246-M251 HydrophobicContact CB-CB 4.08Å; L246-M251 HydrophobicContact CD2-CB 4.15Å; L246-M251 HydrophobicContact CD2-CG 3.91Å; L246-M251 VanDerWaalsContact O-CB 3.27Å; L246-M251 WeakPolarHBondContact O-CB 3.4Å; L246-M251 PolarHBondContact O-N 2.79Å; L246-T253 HydrophobicContact CB-CG2 3.68Å; L246-T253 HydrophobicContact CD1-CG2 4.33Å; L246-L269 HydrophobicContact CD1-CD1 4.22Å; L246-L269 HydrophobicContact CD1-CD2 3.73Å
247	N	96.2	Very high	93.5	Very high	80 Å²	80	60.3 Å²	60.3	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-42.6	176.6	-77.8	-56.6	0	0	0	112.2	F243 S244 L245 C249 G250 M251 T253	F243-N247 PolarHBondContact O-N 3.43Å; F243-N247 PolarHBondContact O-ND2 2.54Å; S244-N247 PolarHBondContact O-N 2.92Å; L245-N247 VanDerWaalsContact C-N 3.34Å; L245-N247 PolarHBondContact O-N 3.32Å; N247-C249 PolarHBondContact O-N 3.27Å; N247-G250 PolarHBondContact O-N 3.37Å; N247-G250 VanDerWaalsContact O-N 3.1Å; N247-M251 PolarHBondContact OD1-O 2.97Å; N247-T253 PolarHBondContact ND2-OG1 3.41Å; N247-T253 PolarHBondContact OD1-OG1 3.43Å; N247-T253 VanDerWaalsContact OD1-OG1 3.06Å
248	Q	96.4	Very high	93.1	Very high	135 Å²	135	61.6 Å²	61.6	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-31.8	175.8	-70.6	171.2	43.4	0	0	112.3	S244 L245 L246 G250	S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.33Å; S244-Q248 PolarHBondContact O-N 3.3Å; S244-Q248 PolarHBondContact O-NE2 3.43Å; S244-Q248 PolarHBondContact OG-NE2 3.03Å; S244-Q248 VanDerWaalsContact OG-NE2 3.16Å; L245-Q248 PolarHBondContact O-N 2.91Å; L246-Q248 PolarHBondContact O-N 2.51Å; Q248-G250 PolarHBondContact O-N 2.72Å
249	C	96.8	Very high	93	Very high	21 Å²	21	60.7 Å²	60.7	14%	0.142	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	13.9	176	-62.7	0	0	0	0	113.6	T205 L245 L246 N247 M251	T205-C249 HydrophobicContact CG2-CB 3.98Å; T205-C249 WeakPolarHBondContact OG1-CB 3.47Å; L245-C249 WeakPolarHBondContact O-CB 3.5Å; L245-C249 PolarHBondContact O-N 2.57Å; L245-C249 PolarHBondContact O-SG 2.92Å; L246-C249 CarbonylContact O-C 3.54Å; L246-C249 PolarHBondContact O-N 3.06Å; L246-C249 VanDerWaalsContact O-N 3.15Å; N247-C249 PolarHBondContact O-N 3.27Å; C249-M251 VanDerWaalsContact C-N 3.32Å; C249-M251 PolarHBondContact O-N 3.14Å
250	G	96.2	Very high	93	Very high	5 Å²	5	60.1 Å²	60.1	5%	0.052	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	17.3	175.1	0	0	0	0	0	114.8	L246 N247 Q248 I274 L275	L246-G250 PolarHBondContact O-N 3.09Å; N247-G250 PolarHBondContact O-N 3.37Å; N247-G250 VanDerWaalsContact O-N 3.1Å; Q248-G250 PolarHBondContact O-N 2.72Å; G250-I274 VanDerWaalsContact O-CG1 3.24Å; G250-I274 WeakPolarHBondContact O-CG1 3.41Å; G250-I274 PolarHBondContact O-N 3.18Å; G250-L275 PolarHBondContact O-N 3.4Å
251	M	96.6	Very high	93	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.1	175.5	-55.2	-58.9	-58.8	0	0	110.4	T205 L214 L246 N247 C249 T253 G271 R273	T205-M251 HydrophobicContact CG2-CG 3.73Å; T205-M251 HydrophobicContact CG2-SD 3.79Å; L214-M251 HydrophobicContact CB-CE 3.42Å; L214-M251 VanDerWaalsContact CB-CE 3.42Å; L214-M251 HydrophobicContact CB-SD 4.48Å; L214-M251 HydrophobicContact CD2-CE 4.38Å; L246-M251 HydrophobicContact CB-CB 4.08Å; L246-M251 HydrophobicContact CD2-CB 4.15Å; L246-M251 HydrophobicContact CD2-CG 3.91Å; L246-M251 VanDerWaalsContact O-CB 3.27Å; L246-M251 WeakPolarHBondContact O-CB 3.4Å; L246-M251 PolarHBondContact O-N 2.79Å; N247-M251 PolarHBondContact OD1-O 2.97Å; C249-M251 VanDerWaalsContact C-N 3.32Å; C249-M251 PolarHBondContact O-N 3.14Å; M251-T253 PolarHBondContact O-N 3.37Å; M251-G271 WeakPolarHBondContact CE-O 3.28Å; M251-R273 HydrophobicContact CE-CB 4.33Å; M251-R273 HydrophobicContact SD-CB 3.82Å; M251-R273 HydrophobicContact SD-CG 4.13Å
252	D	94	Very high	92.9	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	105.1	176.6	-170.4	-2.8	0	0	0	110.8	R254 K272 I274	D252-R254 VanDerWaalsContact OD1-CB 3.28Å; D252-R254 WeakPolarHBondContact OD1-CB 3.47Å; D252-R254 VanDerWaalsContact OD1-CG 3.28Å; D252-R254 WeakPolarHBondContact OD1-CG 3.17Å; D252-R254 IonicContact OD1-CZ 2.7Å; D252-R254 PolarHBondContact OD1-N 3.17Å; D252-R254 IonicContact OD1-NE 2.8Å; D252-R254 PolarHBondContact OD1-NE 2.86Å; D252-R254 IonicContact OD1-NH2 3.84Å; D252-R254 IonicContact OD2-CZ 3.01Å; D252-R254 IonicContact OD2-NE 2.94Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.27Å; D252-R254 PolarHBondContact OD2-NH2 3.48Å; D252-K272 WeakPolarHBondContact CB-O 3.39Å; D252-K272 PolarHBondContact N-O 3.31Å; D252-I274 HydrophobicContact CB-CD1 3.9Å; D252-I274 HydrophobicContact CB-CG1 4.09Å; D252-I274 HydrophobicContact CB-CG2 3.86Å
253	T	88.3	Confident	92.8	Very high	26 Å²	26	65.5 Å²	65.5	16%	0.16	31%	0.311	C	S	.	.			trans	-98.4	16.3	177.4	77.4	0	0	0	0	113.1	F243 L246 N247 M251	F243-T253 HydrophobicContact CD1-CG2 3.93Å; L246-T253 HydrophobicContact CB-CG2 3.68Å; L246-T253 HydrophobicContact CD1-CG2 4.33Å; N247-T253 PolarHBondContact ND2-OG1 3.41Å; N247-T253 PolarHBondContact OD1-OG1 3.43Å; N247-T253 VanDerWaalsContact OD1-OG1 3.06Å; M251-T253 PolarHBondContact O-N 3.37Å
254	R	86.5	Confident	92.6	Very high	156 Å²	156	68.4 Å²	68.4	59%	0.589	34%	0.335	S	S	*	.	S	Bend	trans	-73.9	139.4	176.3	-62.4	172.5	-65.9	-175	0.3	109.9	D252 Q256 Q257 L258	D252-R254 VanDerWaalsContact OD1-CB 3.28Å; D252-R254 WeakPolarHBondContact OD1-CB 3.47Å; D252-R254 VanDerWaalsContact OD1-CG 3.28Å; D252-R254 WeakPolarHBondContact OD1-CG 3.17Å; D252-R254 IonicContact OD1-CZ 2.7Å; D252-R254 PolarHBondContact OD1-N 3.17Å; D252-R254 IonicContact OD1-NE 2.8Å; D252-R254 PolarHBondContact OD1-NE 2.86Å; D252-R254 IonicContact OD1-NH2 3.84Å; D252-R254 IonicContact OD2-CZ 3.01Å; D252-R254 IonicContact OD2-NE 2.94Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.27Å; D252-R254 PolarHBondContact OD2-NH2 3.48Å; R254-Q256 PolarHBondContact O-N 3.11Å; R254-Q257 PolarHBondContact O-N 3.35Å; R254-L258 WeakPolarHBondContact O-CB 3.43Å; R254-L258 PolarHBondContact O-N 2.79Å
255	E	78.7	Confident	92.5	Very high	187 Å²	187	69.3 Å²	69.3	87%	0.874	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-29.6	-174.9	-67.6	-177.9	172.6	0	0	114.9	Q257	E255-Q257 PolarHBondContact O-N 3.28Å
256	Q	82	Confident	92.5	Very high	179 Å²	179	69.6 Å²	69.6	84%	0.836	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.2	-177.3	-65.9	173.3	-4.8	0	0	114.1	R254	R254-Q256 PolarHBondContact O-N 3.11Å
257	Q	78.8	Confident	92.5	Very high	94 Å²	94	69.6 Å²	69.6	44%	0.439	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-13.5	-177.8	-62.2	-61.8	-49.5	0	0	112.3	R254 E255	R254-Q257 PolarHBondContact O-N 3.35Å; E255-Q257 PolarHBondContact O-N 3.28Å
258	L	90.7	Very high	92.6	Very high	28 Å²	28	65.8 Å²	65.8	15%	0.147	32%	0.317	C	S	.	.			trans	-86.2	129	178.5	-179.1	68.8	0	0	0	110.5	F243 R254 L269 V270	F243-L258 HydrophobicContact CE1-CD1 4.35Å; F243-L258 HydrophobicContact CE1-CD2 3.65Å; F243-L258 HydrophobicContact CZ-CD2 4.19Å; R254-L258 WeakPolarHBondContact O-CB 3.43Å; R254-L258 PolarHBondContact O-N 2.79Å; L258-L269 HydrophobicContact CD1-CB 4.44Å; L258-V270 WeakPolarHBondContact CD1-O 3.41Å
259	I	95.2	Very high	92.6	Very high	28 Å²	28	59.3 Å²	59.3	14%	0.144	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.9	156.5	-60.5	169.6	0	0	0	105.7	V69 R72 Y261 L269 V270	V69-I259 HydrophobicContact CG2-CG2 4.08Å; R72-I259 HydrophobicContact CB-CD1 4.09Å; I259-Y261 HydrophobicContact CG2-CD2 3.93Å; I259-Y261 HydrophobicContact CG2-CE2 3.41Å; I259-Y261 VanDerWaalsContact CG2-CE2 3.41Å; I259-L269 CarbonylContact O-C 3.5Å; I259-L269 WeakPolarHBondContact O-CA 3.2Å; I259-V270 HydrophobicContact CB-CB 4Å; I259-V270 HydrophobicContact CB-CG2 4.18Å; I259-V270 HydrophobicContact CD1-CB 4.27Å; I259-V270 HydrophobicContact CD1-CG2 4.18Å; I259-V270 HydrophobicContact CG1-CB 4.41Å; I259-V270 PolarHBondContact N-O 3.04Å; I259-V270 PolarHBondContact O-N 3.42Å
260	Y	96.1	Very high	92.7	Very high	60 Å²	60	58.5 Å²	58.5	24%	0.235	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	123.5	177.6	-179.6	-126	0	0	0	110.6	E239 F243 N262 F267 L269	E239-Y260 WeakPolarHBondContact CG-OH 3.14Å; E239-Y260 WeakPolarHBondContact OE1-CE1 3.28Å; E239-Y260 VanDerWaalsContact OE1-CZ 3.23Å; E239-Y260 PolarHBondContact OE1-OH 2.65Å; F243-Y260 HydrophobicContact CE2-CD1 4.25Å; F243-Y260 AromaticContact CE2-CE1 3.79Å; F243-Y260 HydrophobicContact CE2-CE1 3.79Å; F243-Y260 HydrophobicContact CE2-CE2 4.27Å; F243-Y260 AromaticContact CE2-CZ 3.79Å; F243-Y260 AromaticContact CZ-CD1 3.7Å; F243-Y260 HydrophobicContact CZ-CD1 3.7Å; F243-Y260 AromaticContact CZ-CD2 3.84Å; F243-Y260 HydrophobicContact CZ-CD2 3.84Å; F243-Y260 AromaticContact CZ-CE1 3.66Å; F243-Y260 HydrophobicContact CZ-CE1 3.66Å; F243-Y260 AromaticContact CZ-CE2 3.78Å; F243-Y260 HydrophobicContact CZ-CE2 3.78Å; F243-Y260 AromaticContact CZ-CG 3.78Å; F243-Y260 HydrophobicContact CZ-CG 3.78Å; F243-Y260 AromaticContact CZ-CZ 3.7Å; Y260-N262 HydrophobicContact CE1-CB 3.91Å; Y260-N262 HydrophobicContact CE2-CB 4.4Å; Y260-N262 PolarHBondContact OH-ND2 2.66Å; Y260-F267 HydrophobicContact CE2-CB 3.82Å; Y260-F267 HydrophobicContact CE2-CD2 4.45Å; Y260-F267 HydrophobicContact CE2-CG 4.45Å; Y260-L269 HydrophobicContact CD2-CB 3.88Å
261	Y	96.3	Very high	92.7	Very high	79 Å²	79	58.3 Å²	58.3	31%	0.31	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.5	170.3	-63.3	-83.3	0	0	0	108	L65 V69 I259 F267 L268	L65-Y261 HydrophobicContact CD1-CD1 4.16Å; L65-Y261 HydrophobicContact CD1-CD2 4.01Å; L65-Y261 HydrophobicContact CD1-CG 3.71Å; L65-Y261 HydrophobicContact CD2-CD1 4.27Å; L65-Y261 HydrophobicContact CD2-CE1 4.2Å; L65-Y261 HydrophobicContact CD2-CE2 4.44Å; L65-Y261 HydrophobicContact CD2-CG 4.43Å; V69-Y261 HydrophobicContact CG2-CD2 4.44Å; V69-Y261 HydrophobicContact CG2-CE2 3.88Å; I259-Y261 HydrophobicContact CG2-CD2 3.93Å; I259-Y261 HydrophobicContact CG2-CE2 3.41Å; I259-Y261 VanDerWaalsContact CG2-CE2 3.41Å; Y261-F267 CarbonylContact O-C 3.49Å; Y261-F267 WeakPolarHBondContact O-CA 3.34Å; Y261-L268 HydrophobicContact CD2-CD2 4.25Å; Y261-L268 PolarHBondContact N-O 3.5Å; Y261-L268 PolarHBondContact O-N 3.09Å
262	N	95.8	Very high	92.7	Very high	60 Å²	60	61 Å²	61	32%	0.321	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.4	170.9	179.8	-10.7	0	0	0	108	E239 Y260 D265 V266	E239-N262 PolarHBondContact OE1-ND2 3.48Å; Y260-N262 HydrophobicContact CE1-CB 3.91Å; Y260-N262 HydrophobicContact CE2-CB 4.4Å; Y260-N262 PolarHBondContact OH-ND2 2.66Å; N262-D265 PolarHBondContact OD1-N 3.45Å; N262-V266 WeakPolarHBondContact CA-O 3.47Å
263	H	94.8	Very high	92.8	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.588	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	120.8	172.7	-176.8	71.8	0	0	0	109.9	M61 D265 V266	M61-H263 HydrophobicContact CE-CB 4.04Å; M61-H263 HydrophobicContact SD-CB 3.72Å; H263-D265 VanDerWaalsContact C-N 3.27Å; H263-D265 PolarHBondContact O-N 3.35Å; H263-V266 PolarHBondContact N-O 3.4Å; H263-V266 PolarHBondContact O-N 2.87Å; H263-V266 VanDerWaalsContact O-N 3.11Å
264	C	93.4	Very high	93.1	Very high	100 Å²	100	65.2 Å²	65.2	68%	0.676	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	48.2	-178	-64.1	0	0	0	0	112	V266	C264-V266 PolarHBondContact O-N 3.43Å
265	D	95.3	Very high	93	Very high	79 Å²	79	65 Å²	65	42%	0.422	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-6.9	-179.2	-61.8	-45.2	0	0	0	115.7	L220 N262 H263	L220-D265 HydrophobicContact CB-CB 4.03Å; L220-D265 WeakPolarHBondContact CB-O 3.49Å; L220-D265 PolarHBondContact N-O 2.67Å; L220-D265 WeakPolarHBondContact O-CB 3.35Å; N262-D265 PolarHBondContact OD1-N 3.45Å; H263-D265 VanDerWaalsContact C-N 3.27Å; H263-D265 PolarHBondContact O-N 3.35Å
266	V	97	Very high	93.7	Very high	10 Å²	10	59 Å²	59	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126	168.5	-175.6	0	0	0	0	108.2	A58 M61 V62 V219 N262 H263 C264	A58-V266 HydrophobicContact CB-CB 4.36Å; A58-V266 HydrophobicContact CB-CG1 3.87Å; A58-V266 HydrophobicContact CB-CG2 3.54Å; M61-V266 HydrophobicContact CB-CG1 4.39Å; M61-V266 WeakPolarHBondContact CE-O 3.37Å; M61-V266 HydrophobicContact CG-CG1 4.49Å; M61-V266 HydrophobicContact SD-CB 3.73Å; M61-V266 HydrophobicContact SD-CG1 3.74Å; V62-V266 HydrophobicContact CG2-CG1 4.26Å; V219-V266 HydrophobicContact CG2-CG2 4.45Å; N262-V266 WeakPolarHBondContact CA-O 3.47Å; H263-V266 PolarHBondContact N-O 3.4Å; H263-V266 PolarHBondContact O-N 2.87Å; H263-V266 VanDerWaalsContact O-N 3.11Å; C264-V266 PolarHBondContact O-N 3.43Å
267	F	97.7	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.6	179	76.3	-88.6	0	0	0	113	L216 A217 G218 L220 L237 L242 Y260 Y261 L269	L216-F267 HydrophobicContact CB-CE2 4.46Å; L216-F267 HydrophobicContact CD2-CE2 3.96Å; L216-F267 HydrophobicContact CD2-CZ 4.17Å; L216-F267 HydrophobicContact CG-CE2 3.96Å; L216-F267 HydrophobicContact CG-CZ 4.29Å; A217-F267 WeakPolarHBondContact CA-O 2.92Å; A217-F267 VanDerWaalsContact CB-O 3.26Å; A217-F267 WeakPolarHBondContact CB-O 3.36Å; G218-F267 VanDerWaalsContact C-CD1 3.47Å; G218-F267 VanDerWaalsContact C-CE1 3.4Å; G218-F267 PolarHBondContact N-O 3.27Å; G218-F267 WeakPolarHBondContact O-CD1 3.35Å; G218-F267 PolarHBondContact O-N 2.86Å; L220-F267 HydrophobicContact CD2-CD1 3.79Å; L220-F267 HydrophobicContact CD2-CE1 3.92Å; L220-F267 HydrophobicContact CG-CD1 3.75Å; L220-F267 HydrophobicContact CG-CE1 4.32Å; L237-F267 HydrophobicContact CD2-CE1 4.34Å; L237-F267 HydrophobicContact CD2-CZ 4.43Å; L242-F267 HydrophobicContact CD1-CZ 4.47Å; L242-F267 HydrophobicContact CD2-CD1 4.41Å; L242-F267 HydrophobicContact CD2-CD2 3.93Å; L242-F267 HydrophobicContact CD2-CE1 4.22Å; L242-F267 HydrophobicContact CD2-CE2 3.74Å; L242-F267 HydrophobicContact CD2-CG 4.26Å; L242-F267 HydrophobicContact CD2-CZ 3.88Å; Y260-F267 HydrophobicContact CE2-CB 3.82Å; Y260-F267 HydrophobicContact CE2-CD2 4.45Å; Y260-F267 HydrophobicContact CE2-CG 4.45Å; Y261-F267 CarbonylContact O-C 3.49Å; Y261-F267 WeakPolarHBondContact O-CA 3.34Å; F267-L269 HydrophobicContact CD2-CD2 3.95Å; F267-L269 HydrophobicContact CD2-CG 4.5Å; F267-L269 HydrophobicContact CE2-CD2 3.82Å; F267-L269 HydrophobicContact CE2-CG 4.48Å
268	L	98	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	128.5	164.8	-177	153.1	0	0	0	108.3	V62 L65 V69 L216 A217 Y261	V62-L268 HydrophobicContact CG1-CD1 4.21Å; L65-L268 HydrophobicContact CB-CD1 4.18Å; V69-L268 HydrophobicContact CB-CD2 4.19Å; V69-L268 HydrophobicContact CG1-CD2 4.21Å; V69-L268 HydrophobicContact CG2-CD2 3.52Å; L216-L268 CarbonylContact O-C 3.58Å; L216-L268 WeakPolarHBondContact O-CA 3.3Å; A217-L268 HydrophobicContact CB-CB 4.27Å; A217-L268 HydrophobicContact CB-CG 4.37Å; Y261-L268 HydrophobicContact CD2-CD2 4.25Å; Y261-L268 PolarHBondContact N-O 3.5Å; Y261-L268 PolarHBondContact O-N 3.09Å
269	L	97.4	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.2	-179.9	74.5	88.8	0	0	0	113.2	V215 L216 L242 L246 L258 I259 Y260 F267	V215-L269 CarbonylContact C-O 3.49Å; V215-L269 WeakPolarHBondContact CA-O 3.47Å; L216-L269 HydrophobicContact CB-CD1 4.07Å; L216-L269 HydrophobicContact CB-CD2 4.32Å; L216-L269 HydrophobicContact CB-CG 3.93Å; L216-L269 HydrophobicContact CD2-CD2 4.25Å; L216-L269 PolarHBondContact N-O 3.32Å; L216-L269 PolarHBondContact O-N 3.42Å; L242-L269 HydrophobicContact CD1-CD2 4.2Å; L242-L269 HydrophobicContact CD2-CD2 3.87Å; L242-L269 HydrophobicContact CG-CD2 4.3Å; L246-L269 HydrophobicContact CD1-CD1 4.22Å; L246-L269 HydrophobicContact CD1-CD2 3.73Å; L258-L269 HydrophobicContact CD1-CB 4.44Å; I259-L269 CarbonylContact O-C 3.5Å; I259-L269 WeakPolarHBondContact O-CA 3.2Å; Y260-L269 HydrophobicContact CD2-CB 3.88Å; F267-L269 HydrophobicContact CD2-CD2 3.95Å; F267-L269 HydrophobicContact CD2-CG 4.5Å; F267-L269 HydrophobicContact CE2-CD2 3.82Å; F267-L269 HydrophobicContact CE2-CG 4.48Å
270	V	97.4	Very high	95.5	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.2	163.2	-176.7	0	0	0	0	109.1	V69 L73 Y213 L214 V215 L258 I259	V69-V270 HydrophobicContact CB-CG2 4.5Å; V69-V270 HydrophobicContact CG1-CG2 3.07Å; L73-V270 HydrophobicContact CD2-CG1 3.87Å; Y213-V270 HydrophobicContact CD1-CG1 3.87Å; Y213-V270 HydrophobicContact CG-CG1 4.49Å; L214-V270 CarbonylContact O-C 3.52Å; L214-V270 VanDerWaalsContact O-CA 3.27Å; L214-V270 WeakPolarHBondContact O-CA 3.19Å; V215-V270 HydrophobicContact CG1-CG2 4.13Å; V215-V270 HydrophobicContact CG2-CG2 4.18Å; L258-V270 WeakPolarHBondContact CD1-O 3.41Å; I259-V270 HydrophobicContact CB-CB 4Å; I259-V270 HydrophobicContact CB-CG2 4.18Å; I259-V270 HydrophobicContact CD1-CB 4.27Å; I259-V270 HydrophobicContact CD1-CG2 4.18Å; I259-V270 HydrophobicContact CG1-CB 4.41Å; I259-V270 PolarHBondContact N-O 3.04Å; I259-V270 PolarHBondContact O-N 3.42Å
271	G	96.1	Very high	95.5	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.5	171.6	0	0	0	0	0	110.8	Y213 L214 M251	Y213-G271 CarbonylContact C-O 3.54Å; Y213-G271 WeakPolarHBondContact CA-O 3.28Å; L214-G271 PolarHBondContact N-O 3.15Å; L214-G271 PolarHBondContact O-N 3.05Å; M251-G271 WeakPolarHBondContact CE-O 3.28Å
272	K	96.5	Very high	95.4	Very high	59 Å²	59	50.8 Å²	50.8	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.4	171.8	-172.5	177	-178.1	175.5	0	109.9	G211 G212 Y213 D252	G211-K272 VanDerWaalsContact O-CE 3.23Å; G211-K272 WeakPolarHBondContact O-CE 3.15Å; G212-K272 CarbonylContact O-C 3.46Å; G212-K272 WeakPolarHBondContact O-CA 3.39Å; G212-K272 WeakPolarHBondContact O-CG 3.38Å; Y213-K272 HydrophobicContact CD1-CB 4.21Å; Y213-K272 HydrophobicContact CD1-CG 4.41Å; Y213-K272 HydrophobicContact CE1-CB 4.16Å; Y213-K272 HydrophobicContact CE1-CD 4.23Å; Y213-K272 HydrophobicContact CE1-CG 4.14Å; D252-K272 WeakPolarHBondContact CB-O 3.39Å; D252-K272 PolarHBondContact N-O 3.31Å
273	R	96.2	Very high	95.4	Very high	48 Å²	48	50.1 Å²	50.1	18%	0.181	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.5	174.7	-170.5	-179.8	174.7	176.9	0.6	110.5	T205 G206 V208 M210 G211 G212 M251 L275	T205-R273 PolarHBondContact O-NH1 2.99Å; T205-R273 VanDerWaalsContact O-NH1 3.11Å; G206-R273 PolarHBondContact O-NH1 2.82Å; V208-R273 HydrophobicContact CB-CB 4.34Å; V208-R273 HydrophobicContact CG1-CB 3.87Å; V208-R273 WeakPolarHBondContact O-CD 3.26Å; V208-R273 PolarHBondContact O-NH1 2.67Å; M210-R273 HydrophobicContact SD-CG 4.32Å; G211-R273 VanDerWaalsContact CA-O 3.29Å; G211-R273 WeakPolarHBondContact CA-O 3.48Å; G211-R273 PolarHBondContact N-O 3.37Å; G212-R273 PolarHBondContact O-N 2.88Å; M251-R273 HydrophobicContact CE-CB 4.33Å; M251-R273 HydrophobicContact SD-CB 3.82Å; M251-R273 HydrophobicContact SD-CG 4.13Å; R273-L275 WeakPolarHBondContact CG-O 3.48Å; R273-L275 PolarHBondContact NE-O 3.33Å
274	I	95	Very high	95.4	Very high	70 Å²	70	43.7 Å²	43.7	36%	0.359	23%	0.233	S	C	.	.			trans	-124.6	-10.4	-177	57.5	163.4	0	0	0	114.1	M210 G250 D252	M210-I274 WeakPolarHBondContact CE-O 3.41Å; G250-I274 VanDerWaalsContact O-CG1 3.24Å; G250-I274 WeakPolarHBondContact O-CG1 3.41Å; G250-I274 PolarHBondContact O-N 3.18Å; D252-I274 HydrophobicContact CB-CD1 3.9Å; D252-I274 HydrophobicContact CB-CG1 4.09Å; D252-I274 HydrophobicContact CB-CG2 3.86Å
275	L	85.3	Confident	95.6	Very high	153 Å²	153	38.5 Å²	38.5	80%	0.801	19%	0.193	S	C	*	.			trans	-136.6	0	176.3	-64	171.5	0	0	0	111.6	G250 R273	G250-L275 PolarHBondContact O-N 3.4Å; R273-L275 WeakPolarHBondContact CG-O 3.48Å; R273-L275 PolarHBondContact NE-O 3.33Å

Retrieved 275 of 275 residues in 653.8 ms (Link to these results)

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