G4LVJ0_SCHMA Loading...

Cdc50-related

AlphaFold DB , UniProt , Accession G4LVJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 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	42	Very low	59	Low	250 Å²	250	165.8 Å²	165.8	100%	1.232	87%	0.866	S	S	*	*				0	94.4	0	-90.7	166.8	65.8	0	0	106.7
2	E	51.5	Low	61	Low	193 Å²	193	164.5 Å²	164.5	90%	0.902	86%	0.861	S	S	*	*			trans	-126	106.2	172.8	-159.2	161.7	-169.9	0	0	106.7	A4	E2-A4 PolarHBondContact O-N 3Å
3	S	46.4	Very low	62.6	Low	111 Å²	111	162.6 Å²	162.6	78%	0.776	84%	0.841	S	S	*	*			trans	-66.8	115.5	-176.3	41.8	0	0	0	0	109.9	E5	S3-E5 PolarHBondContact O-N 3.22Å
4	A	58.7	Low	64.3	Low	97 Å²	97	157.6 Å²	157.6	80%	0.802	82%	0.824	S	S	*	*			trans	-64.6	106.9	170.8	0	0	0	0	0	109.8	E2 T6	E2-A4 PolarHBondContact O-N 3Å; A4-T6 PolarHBondContact O-N 3.49Å
5	E	56	Low	65.8	Low	183 Å²	183	157.1 Å²	157.1	86%	0.855	81%	0.813	S	S	*	*			trans	-51.1	122.8	171.5	-77.8	-177.9	138.4	0	0	111.2	S3 K7	S3-E5 PolarHBondContact O-N 3.22Å; E5-K7 PolarHBondContact O-N 3Å; E5-K7 VanDerWaalsContact O-N 3.09Å
6	T	60.1	Low	67.2	Low	139 Å²	139	154.1 Å²	154.1	85%	0.853	80%	0.799	S	S	*	*			trans	-74.4	100.2	172.2	-48.9	0	0	0	0	108.4	A4	A4-T6 PolarHBondContact O-N 3.49Å
7	K	64.6	Low	68.6	Low	186 Å²	186	148.4 Å²	148.4	81%	0.809	77%	0.772	S	S	*	*			trans	-51.4	134.9	177.6	-74.3	-179.3	177.9	175.8	0	111.2	E5 K9	E5-K7 PolarHBondContact O-N 3Å; E5-K7 VanDerWaalsContact O-N 3.09Å; K7-K9 PolarHBondContact O-N 3.23Å
8	P	61.6	Low	69.8	Low	118 Å²	118	144.6 Å²	144.6	77%	0.766	76%	0.758	S	S	*	*			trans	-62.5	132	-177.9	23.7	-31.7	0	0	0	111	K10	P8-K10 PolarHBondContact O-N 3.42Å
9	K	62.8	Low	71.1	Confident	202 Å²	202	144.4 Å²	144.4	88%	0.878	75%	0.751	S	S	*	*			trans	-59.4	111	170.6	-82.8	-178.3	177	174.9	0	108.5	K7 L11	K7-K9 PolarHBondContact O-N 3.23Å; K9-L11 PolarHBondContact O-N 3.2Å; K9-L11 VanDerWaalsContact O-N 3.14Å
10	K	69.4	Low	72.1	Confident	171 Å²	171	142.2 Å²	142.2	74%	0.743	74%	0.736	S	S	*	*			trans	-62.1	112.3	175	-68.1	-174.1	178.9	-171.4	0	109.5	P8 N12 K13	P8-K10 PolarHBondContact O-N 3.42Å; K10-N12 PolarHBondContact O-N 3.26Å; K10-N12 VanDerWaalsContact O-N 3.12Å; K10-K13 HydrophobicContact CB-CB 4.04Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-K13 VanDerWaalsContact O-N 3.12Å
11	L	75.8	Confident	73.2	Confident	174 Å²	174	138.4 Å²	138.4	91%	0.911	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-34.1	-174.1	-127.9	96.8	0	0	0	113.7	K9	K9-L11 PolarHBondContact O-N 3.2Å; K9-L11 VanDerWaalsContact O-N 3.14Å
12	N	82.8	Confident	75.6	Confident	150 Å²	150	135 Å²	135	80%	0.802	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	16.9	-174.8	-63.1	-19.3	0	0	0	113.4	K10 P14	K10-N12 PolarHBondContact O-N 3.26Å; K10-N12 VanDerWaalsContact O-N 3.12Å; N12-P14 VanDerWaalsContact O-CD 3.32Å; N12-P14 WeakPolarHBondContact O-CD 2.72Å
13	K	82.2	Confident	77.6	Confident	140 Å²	140	134.2 Å²	134.2	61%	0.609	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-73.4	121.7	177.3	-170.7	177.3	178.3	-172.9	0	109.2	K10	K10-K13 HydrophobicContact CB-CB 4.04Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-K13 VanDerWaalsContact O-N 3.12Å
14	P	85.7	Confident	79.8	Confident	93 Å²	93	133.7 Å²	133.7	60%	0.604	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-56.5	145.6	174.8	-23	33.3	0	0	0	110.9	N12 D16	N12-P14 VanDerWaalsContact O-CD 3.32Å; N12-P14 WeakPolarHBondContact O-CD 2.72Å; P14-D16 PolarHBondContact O-N 2.84Å; P14-D16 VanDerWaalsContact O-N 3.13Å
15	K	86.8	Confident	81.5	Confident	150 Å²	150	139.4 Å²	139.4	65%	0.652	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-58.7	119.5	175.1	-71.5	-178.3	-179.8	178.7	0	109.1	T17 H20 Q21	K15-T17 PolarHBondContact O-N 3.4Å; K15-H20 HydrophobicContact CB-CB 4.47Å; K15-H20 VanDerWaalsContact CB-CD2 3.4Å; K15-H20 WeakPolarHBondContact CB-CD2 3.38Å; K15-H20 VanDerWaalsContact O-CB 3.3Å; K15-H20 WeakPolarHBondContact O-CB 3.48Å; K15-Q21 PolarHBondContact O-NE2 3.2Å
16	D	88.7	Confident	83.2	Confident	109 Å²	109	134.1 Å²	134.1	58%	0.583	66%	0.663	S	S	*	*			trans	-87	61.5	-178.6	-164	9.4	0	0	0	110.2	P14 Q21	P14-D16 PolarHBondContact O-N 2.84Å; P14-D16 VanDerWaalsContact O-N 3.13Å; D16-Q21 WeakPolarHBondContact OD1-CG 3.31Å
17	T	90.8	Very high	84.8	Confident	56 Å²	56	138.1 Å²	138.1	34%	0.344	66%	0.663	S	S	.	*			trans	-107.8	150.4	173.8	72.8	0	0	0	0	110.2	K15 F19 H20 Q21	K15-T17 PolarHBondContact O-N 3.4Å; T17-F19 PolarHBondContact O-N 2.86Å; T17-F19 VanDerWaalsContact O-N 3.09Å; T17-H20 PolarHBondContact O-N 2.89Å; T17-H20 PolarHBondContact OG1-CD2 3.48Å; T17-H20 PolarHBondContact OG1-N 3.27Å; T17-Q21 WeakPolarHBondContact O-CB 3.5Å; T17-Q21 WeakPolarHBondContact O-CG 3.34Å; T17-Q21 PolarHBondContact O-N 2.87Å
18	P	90.9	Very high	86.1	Confident	81 Å²	81	138.8 Å²	138.8	53%	0.526	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.1	-31.8	177.9	-28.3	35.5	0	0	0	113.9	Q22 R23 L24	P18-Q22 PolarHBondContact O-N 3.22Å; P18-R23 CarbonylContact O-C 3.57Å; P18-R23 PolarHBondContact O-N 3.29Å; P18-L24 HydrophobicContact CB-CD2 4.44Å; P18-L24 PolarHBondContact O-N 3.17Å
19	F	94.1	Very high	87.4	Confident	141 Å²	141	136.7 Å²	136.7	62%	0.618	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-53.9	174	-178.5	-100	0	0	0	111.9	T17 Q21 Q22 L24	T17-F19 PolarHBondContact O-N 2.86Å; T17-F19 VanDerWaalsContact O-N 3.09Å; F19-Q21 VanDerWaalsContact C-N 3.31Å; F19-Q21 PolarHBondContact O-N 3.41Å; F19-Q22 PolarHBondContact O-N 3.28Å; F19-L24 HydrophobicContact CB-CD2 4.25Å; F19-L24 HydrophobicContact CD2-CD1 4.1Å; F19-L24 HydrophobicContact CD2-CD2 4.49Å
20	H	92.2	Very high	88.7	Confident	99 Å²	99	133 Å²	133	46%	0.458	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	-28.8	-176.9	-69.8	-51.2	0	0	0	113.4	K15 T17 Q22	K15-H20 HydrophobicContact CB-CB 4.47Å; K15-H20 VanDerWaalsContact CB-CD2 3.4Å; K15-H20 WeakPolarHBondContact CB-CD2 3.38Å; K15-H20 VanDerWaalsContact O-CB 3.3Å; K15-H20 WeakPolarHBondContact O-CB 3.48Å; T17-H20 PolarHBondContact O-N 2.89Å; T17-H20 PolarHBondContact OG1-CD2 3.48Å; T17-H20 PolarHBondContact OG1-N 3.27Å; H20-Q22 VanDerWaalsContact C-N 3.35Å
21	Q	94.1	Very high	89.7	Confident	63 Å²	63	131.3 Å²	131.3	29%	0.294	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	5.2	179.2	-58.2	-57.1	-42	0	0	113.3	K15 D16 T17 F19 R23	K15-Q21 PolarHBondContact O-NE2 3.2Å; D16-Q21 WeakPolarHBondContact OD1-CG 3.31Å; T17-Q21 WeakPolarHBondContact O-CB 3.5Å; T17-Q21 WeakPolarHBondContact O-CG 3.34Å; T17-Q21 PolarHBondContact O-N 2.87Å; F19-Q21 VanDerWaalsContact C-N 3.31Å; F19-Q21 PolarHBondContact O-N 3.41Å; Q21-R23 HydrophobicContact CB-CG 4.13Å; Q21-R23 WeakPolarHBondContact O-CG 3.45Å; Q21-R23 PolarHBondContact O-N 2.89Å
22	Q	92.8	Very high	90.4	Very high	179 Å²	179	126 Å²	126	84%	0.836	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.4	34.3	-176.7	-56.7	179.7	-6.7	0	0	113.7	P18 F19 H20	P18-Q22 PolarHBondContact O-N 3.22Å; F19-Q22 PolarHBondContact O-N 3.28Å; H20-Q22 VanDerWaalsContact C-N 3.35Å
23	R	92.4	Very high	90.8	Very high	176 Å²	176	120.3 Å²	120.3	66%	0.664	58%	0.582	S	S	*	*			trans	-109.6	28.3	177.8	-56.1	179.8	-167	169.1	3	111.8	P18 Q21	P18-R23 CarbonylContact O-C 3.57Å; P18-R23 PolarHBondContact O-N 3.29Å; Q21-R23 HydrophobicContact CB-CG 4.13Å; Q21-R23 WeakPolarHBondContact O-CG 3.45Å; Q21-R23 PolarHBondContact O-N 2.89Å
24	L	94	Very high	91.3	Very high	101 Å²	101	121.7 Å²	121.7	53%	0.529	58%	0.583	S	S	.	*			trans	-57.1	141.3	172.4	-71.3	177.8	0	0	0	109.8	P18 F19 S26	P18-L24 HydrophobicContact CB-CD2 4.44Å; P18-L24 PolarHBondContact O-N 3.17Å; F19-L24 HydrophobicContact CB-CD2 4.25Å; F19-L24 HydrophobicContact CD2-CD1 4.1Å; F19-L24 HydrophobicContact CD2-CD2 4.49Å; L24-S26 PolarHBondContact O-N 3.03Å
25	K	93.3	Very high	91.5	Very high	217 Å²	217	120.9 Å²	120.9	94%	0.943	57%	0.574	S	S	*	*			trans	-57.3	114.9	171.9	-172.9	178.3	-178.5	-179.5	0	107.7
26	S	93.2	Very high	91.9	Very high	71 Å²	71	114.3 Å²	114.3	50%	0.497	55%	0.547	S	S	.	.			trans	-124.8	143.9	-179.1	48	0	0	0	0	109.5	L24 R28	L24-S26 PolarHBondContact O-N 3.03Å; S26-R28 PolarHBondContact OG-NE 3.19Å
27	W	93.4	Very high	92.1	Very high	224 Å²	224	111.2 Å²	111.2	85%	0.848	53%	0.529	S	S	*	.			trans	-94	128.4	166.4	177.3	51.9	0	0	0	108.2	P29	W27-P29 HydrophobicContact CD2-CG 4.39Å; W27-P29 HydrophobicContact CE3-CG 4.32Å; W27-P29 HydrophobicContact CH2-CB 4.08Å; W27-P29 HydrophobicContact CH2-CG 4.28Å; W27-P29 HydrophobicContact CZ2-CB 3.78Å; W27-P29 HydrophobicContact CZ2-CG 4.33Å; W27-P29 HydrophobicContact CZ3-CG 4.27Å; W27-P29 WeakPolarHBondContact O-CD 3.47Å
28	R	90.4	Very high	92.4	Very high	199 Å²	199	110.9 Å²	110.9	75%	0.751	53%	0.528	S	S	*	.			trans	-120.1	80.2	-177.1	-62.3	-178.8	-173.7	-175.2	-2.1	108.8	S26 I30	S26-R28 PolarHBondContact OG-NE 3.19Å; R28-I30 PolarHBondContact O-N 3.13Å
29	P	90.2	Very high	92.6	Very high	74 Å²	74	111.1 Å²	111.1	48%	0.481	52%	0.524	S	S	.	.			trans	-62.1	120.3	-179.9	25	-32.2	0	0	0	109.7	W27	W27-P29 HydrophobicContact CD2-CG 4.39Å; W27-P29 HydrophobicContact CE3-CG 4.32Å; W27-P29 HydrophobicContact CH2-CB 4.08Å; W27-P29 HydrophobicContact CH2-CG 4.28Å; W27-P29 HydrophobicContact CZ2-CB 3.78Å; W27-P29 HydrophobicContact CZ2-CG 4.33Å; W27-P29 HydrophobicContact CZ3-CG 4.27Å; W27-P29 WeakPolarHBondContact O-CD 3.47Å
30	I	90.3	Very high	92.7	Very high	124 Å²	124	107.6 Å²	107.6	64%	0.636	51%	0.508	S	S	*	.			trans	-93.8	108	174.2	-52.5	177.9	0	0	0	107.4	R28 T32 N35	R28-I30 PolarHBondContact O-N 3.13Å; I30-T32 VanDerWaalsContact C-N 3.28Å; I30-T32 HydrophobicContact CG2-CG2 3.76Å; I30-T32 PolarHBondContact O-N 3.29Å; I30-N35 PolarHBondContact O-ND2 2.88Å
31	L	89.5	Confident	92.9	Very high	137 Å²	137	104.8 Å²	104.8	72%	0.717	50%	0.496	S	S	*	.			trans	-77.3	79.9	176.1	-67.5	174.2	0	0	0	109.7
32	T	91.6	Very high	93	Very high	63 Å²	63	105.4 Å²	105.4	39%	0.387	51%	0.505	S	S	.	.			trans	-84	162.4	167.4	63.7	0	0	0	0	110.2	I30 R34 N35 A36	I30-T32 VanDerWaalsContact C-N 3.28Å; I30-T32 HydrophobicContact CG2-CG2 3.76Å; I30-T32 PolarHBondContact O-N 3.29Å; T32-R34 PolarHBondContact O-N 2.86Å; T32-R34 VanDerWaalsContact O-N 3.17Å; T32-N35 PolarHBondContact O-N 3.22Å; T32-A36 WeakPolarHBondContact O-CB 3.27Å; T32-A36 PolarHBondContact O-N 3.2Å
33	A	91.2	Very high	93.2	Very high	30 Å²	30	100.9 Å²	100.9	25%	0.248	49%	0.486	C	S	.	.	H	α-helix	trans	-51.7	-40.3	174.8	0	0	0	0	0	112	N35 A36 F37 H335	A33-N35 VanDerWaalsContact C-N 3.3Å; A33-N35 PolarHBondContact O-N 2.95Å; A33-A36 PolarHBondContact O-N 3.48Å; A33-F37 VanDerWaalsContact O-CD1 3.32Å; A33-F37 WeakPolarHBondContact O-CD1 3.48Å; A33-F37 PolarHBondContact O-N 3.34Å; A33-H335 HydrophobicContact CB-CB 4.04Å
34	R	91	Very high	93.4	Very high	168 Å²	168	92.5 Å²	92.5	63%	0.634	45%	0.454	S	S	*	.	H	α-helix	trans	-55.3	-39.5	174.9	-177.2	179.7	176.3	-177.3	0.5	113.5	T32 F37 P38	T32-R34 PolarHBondContact O-N 2.86Å; T32-R34 VanDerWaalsContact O-N 3.17Å; R34-F37 WeakPolarHBondContact O-CD1 3.4Å; R34-F37 VanDerWaalsContact O-CE1 3.3Å; R34-F37 WeakPolarHBondContact O-CE1 3.36Å; R34-P38 VanDerWaalsContact O-CD 3.29Å; R34-P38 WeakPolarHBondContact O-CD 2.94Å
35	N	91.8	Very high	93.5	Very high	77 Å²	77	93 Å²	93	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-89	-29.2	-178.3	-65.9	-16.5	0	0	0	112	I30 T32 A33 P38 I39	I30-N35 PolarHBondContact O-ND2 2.88Å; T32-N35 PolarHBondContact O-N 3.22Å; A33-N35 VanDerWaalsContact C-N 3.3Å; A33-N35 PolarHBondContact O-N 2.95Å; N35-P38 WeakPolarHBondContact O-CG 3.48Å; N35-I39 WeakPolarHBondContact O-CD1 3.47Å; N35-I39 WeakPolarHBondContact O-CG1 3.32Å
36	A	93.7	Very high	93.7	Very high	11 Å²	11	88.2 Å²	88.2	9%	0.091	44%	0.441	C	S	.	.	H	α-helix	trans	-77.2	-44.9	-177.6	0	0	0	0	0	112.8	T32 A33 I39 F40 F331	T32-A36 WeakPolarHBondContact O-CB 3.27Å; T32-A36 PolarHBondContact O-N 3.2Å; A33-A36 PolarHBondContact O-N 3.48Å; A36-I39 WeakPolarHBondContact O-CB 3.39Å; A36-I39 PolarHBondContact O-N 3.12Å; A36-I39 VanDerWaalsContact O-N 3.08Å; A36-F40 HydrophobicContact CB-CD2 4.26Å; A36-F40 HydrophobicContact CB-CE2 4.27Å; A36-F40 VanDerWaalsContact O-CD2 3.31Å; A36-F40 WeakPolarHBondContact O-CD2 3.35Å; A36-F40 PolarHBondContact O-N 3.46Å; A36-F40 VanDerWaalsContact O-N 3.09Å; A36-F331 HydrophobicContact CB-CD2 4.16Å; A36-F331 HydrophobicContact CB-CE2 4.43Å; A36-F331 HydrophobicContact CB-CG 4.44Å
37	F	94.5	Very high	94	Very high	44 Å²	44	85.9 Å²	85.9	19%	0.193	42%	0.424	C	S	.	.	H	α-helix	trans	-55.7	-44	-175.4	90.9	-98.5	0	0	0	114	A33 R34 I39 F40 L41 F331 F332	A33-F37 VanDerWaalsContact O-CD1 3.32Å; A33-F37 WeakPolarHBondContact O-CD1 3.48Å; A33-F37 PolarHBondContact O-N 3.34Å; R34-F37 WeakPolarHBondContact O-CD1 3.4Å; R34-F37 VanDerWaalsContact O-CE1 3.3Å; R34-F37 WeakPolarHBondContact O-CE1 3.36Å; F37-I39 VanDerWaalsContact C-N 3.31Å; F37-I39 PolarHBondContact O-N 3.35Å; F37-F40 PolarHBondContact O-N 2.94Å; F37-L41 HydrophobicContact CD2-CD1 3.78Å; F37-L41 HydrophobicContact CE2-CD1 4.28Å; F37-L41 WeakPolarHBondContact O-CB 3.26Å; F37-L41 VanDerWaalsContact O-CG 3.32Å; F37-L41 WeakPolarHBondContact O-CG 3.49Å; F37-L41 PolarHBondContact O-N 2.76Å; F37-F331 HydrophobicContact CB-CB 3.64Å; F37-F332 HydrophobicContact CB-CB 4.29Å; F37-F332 HydrophobicContact CD2-CB 4.11Å; F37-F332 AromaticContact CD2-CD2 3.91Å; F37-F332 HydrophobicContact CD2-CD2 3.91Å; F37-F332 HydrophobicContact CD2-CG 4.48Å; F37-F332 AromaticContact CE2-CD2 3.8Å; F37-F332 HydrophobicContact CE2-CD2 3.8Å; F37-F332 HydrophobicContact CE2-CE2 4.47Å; F37-F332 HydrophobicContact CG-CB 4.22Å; F37-F332 HydrophobicContact CG-CD2 4.41Å; F37-F332 HydrophobicContact CZ-CD2 4.2Å
38	P	95.3	Very high	94.2	Very high	50 Å²	50	77.1 Å²	77.1	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-32.6	178.6	26.7	-36.1	0	0	0	112.4	R34 N35 T42	R34-P38 VanDerWaalsContact O-CD 3.29Å; R34-P38 WeakPolarHBondContact O-CD 2.94Å; N35-P38 WeakPolarHBondContact O-CG 3.48Å; P38-T42 VanDerWaalsContact O-CB 3.28Å; P38-T42 WeakPolarHBondContact O-CB 3.31Å; P38-T42 PolarHBondContact O-N 3.26Å; P38-T42 PolarHBondContact O-OG1 2.88Å
39	I	95.6	Very high	94.5	Very high	85 Å²	85	71 Å²	71	44%	0.436	38%	0.38	S	S	.	.	H	α-helix	trans	-64.4	-51.6	177.3	-61.8	170.5	0	0	0	109.6	N35 A36 F37 T42 I43	N35-I39 WeakPolarHBondContact O-CD1 3.47Å; N35-I39 WeakPolarHBondContact O-CG1 3.32Å; A36-I39 WeakPolarHBondContact O-CB 3.39Å; A36-I39 PolarHBondContact O-N 3.12Å; A36-I39 VanDerWaalsContact O-N 3.08Å; F37-I39 VanDerWaalsContact C-N 3.31Å; F37-I39 PolarHBondContact O-N 3.35Å; I39-T42 PolarHBondContact O-N 2.94Å; I39-I43 HydrophobicContact CG2-CD1 3.89Å; I39-I43 WeakPolarHBondContact O-CG1 3.48Å; I39-I43 PolarHBondContact O-N 3.47Å
40	F	96.7	Very high	94.9	Very high	67 Å²	67	70.6 Å²	70.6	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-41.4	-179.3	-79.2	-71.5	0	0	0	112.7	A36 F37 T42 I43 G44 L327 F331	A36-F40 HydrophobicContact CB-CD2 4.26Å; A36-F40 HydrophobicContact CB-CE2 4.27Å; A36-F40 VanDerWaalsContact O-CD2 3.31Å; A36-F40 WeakPolarHBondContact O-CD2 3.35Å; A36-F40 PolarHBondContact O-N 3.46Å; A36-F40 VanDerWaalsContact O-N 3.09Å; F37-F40 PolarHBondContact O-N 2.94Å; F40-T42 VanDerWaalsContact C-N 3.35Å; F40-T42 PolarHBondContact O-N 3.31Å; F40-I43 PolarHBondContact O-N 2.87Å; F40-G44 PolarHBondContact O-N 2.93Å; F40-L327 HydrophobicContact CD1-CB 4.24Å; F40-L327 HydrophobicContact CD1-CD1 4.42Å; F40-L327 HydrophobicContact CE1-CD1 4.14Å; F40-L327 HydrophobicContact CG-CB 4.39Å; F40-F331 AromaticContact CD2-CD2 3.69Å; F40-F331 HydrophobicContact CD2-CD2 3.69Å; F40-F331 AromaticContact CD2-CE2 3.64Å; F40-F331 HydrophobicContact CD2-CE2 3.64Å; F40-F331 HydrophobicContact CE2-CD2 4Å; F40-F331 AromaticContact CE2-CE2 3.46Å; F40-F331 HydrophobicContact CE2-CE2 3.46Å; F40-F331 VanDerWaalsContact CE2-CE2 3.46Å; F40-F331 HydrophobicContact CE2-CZ 4.48Å; F40-F331 HydrophobicContact CZ-CE2 4.24Å
41	L	96.4	Very high	95.2	Very high	40 Å²	40	64.7 Å²	64.7	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-42.4	174	-71.2	179.6	0	0	0	111.6	F37 G44 L45 L325 L329	F37-L41 HydrophobicContact CD2-CD1 3.78Å; F37-L41 HydrophobicContact CE2-CD1 4.28Å; F37-L41 WeakPolarHBondContact O-CB 3.26Å; F37-L41 VanDerWaalsContact O-CG 3.32Å; F37-L41 WeakPolarHBondContact O-CG 3.49Å; F37-L41 PolarHBondContact O-N 2.76Å; L41-G44 PolarHBondContact O-N 3.2Å; L41-L45 WeakPolarHBondContact O-CB 3.3Å; L41-L45 VanDerWaalsContact O-CG 3.27Å; L41-L45 WeakPolarHBondContact O-CG 3.28Å; L41-L45 PolarHBondContact O-N 3.28Å; L41-L325 HydrophobicContact CD2-CD2 4.12Å; L41-L329 HydrophobicContact CD2-CD2 4.4Å; L41-L329 HydrophobicContact CD2-CG 4.39Å
42	T	96.5	Very high	95.6	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-47	179	-57.3	0	0	0	0	111.5	P38 I39 F40 G44 L45 L46	P38-T42 VanDerWaalsContact O-CB 3.28Å; P38-T42 WeakPolarHBondContact O-CB 3.31Å; P38-T42 PolarHBondContact O-N 3.26Å; P38-T42 PolarHBondContact O-OG1 2.88Å; I39-T42 PolarHBondContact O-N 2.94Å; F40-T42 VanDerWaalsContact C-N 3.35Å; F40-T42 PolarHBondContact O-N 3.31Å; T42-G44 VanDerWaalsContact C-N 3.32Å; T42-G44 PolarHBondContact O-N 3.39Å; T42-L45 PolarHBondContact O-N 3.34Å; T42-L46 HydrophobicContact CG2-CD1 3.86Å; T42-L46 HydrophobicContact CG2-CG 4.4Å; T42-L46 WeakPolarHBondContact O-CB 3.27Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.28Å; T42-L46 PolarHBondContact O-N 3.37Å
43	I	96.2	Very high	95.9	Very high	84 Å²	84	62.8 Å²	62.8	43%	0.431	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-47.4	175.8	-67.7	168.7	0	0	0	109.8	I39 F40 L46 S47	I39-I43 HydrophobicContact CG2-CD1 3.89Å; I39-I43 WeakPolarHBondContact O-CG1 3.48Å; I39-I43 PolarHBondContact O-N 3.47Å; F40-I43 PolarHBondContact O-N 2.87Å; I43-L46 PolarHBondContact O-N 3.03Å; I43-S47 VanDerWaalsContact O-CB 3.24Å; I43-S47 WeakPolarHBondContact O-CB 3.36Å; I43-S47 PolarHBondContact O-N 2.87Å; I43-S47 PolarHBondContact O-OG 3.44Å
44	G	96.6	Very high	96.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-50.7	178.9	0	0	0	0	0	113.6	F40 L41 T42 L46 S47 I48 G321	F40-G44 PolarHBondContact O-N 2.93Å; L41-G44 PolarHBondContact O-N 3.2Å; T42-G44 VanDerWaalsContact C-N 3.32Å; T42-G44 PolarHBondContact O-N 3.39Å; G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 3.48Å; G44-S47 PolarHBondContact O-N 2.98Å; G44-I48 WeakPolarHBondContact O-CG1 3.44Å; G44-I48 PolarHBondContact O-N 3.36Å; G44-G321 VanDerWaalsContact CA-O 3.24Å; G44-G321 WeakPolarHBondContact CA-O 3.31Å
45	L	96.9	Very high	96.4	Very high	112 Å²	112	56.6 Å²	56.6	59%	0.586	31%	0.31	S	S	*	.	H	α-helix	trans	-65.2	-31	-179.4	-72.5	175.3	0	0	0	113.2	L41 T42 P49 L325	L41-L45 WeakPolarHBondContact O-CB 3.3Å; L41-L45 VanDerWaalsContact O-CG 3.27Å; L41-L45 WeakPolarHBondContact O-CG 3.28Å; L41-L45 PolarHBondContact O-N 3.28Å; T42-L45 PolarHBondContact O-N 3.34Å; L45-P49 WeakPolarHBondContact O-CD 3.32Å; L45-P49 VanDerWaalsContact O-CG 3.28Å; L45-P49 WeakPolarHBondContact O-CG 3.38Å; L45-L325 HydrophobicContact CD2-CD2 4.07Å; L45-L325 HydrophobicContact CG-CD2 3.92Å
46	L	97.4	Very high	96.6	Very high	116 Å²	116	56.8 Å²	56.8	61%	0.607	31%	0.314	S	S	*	.	H	α-helix	trans	-84.5	-39	177.8	-66.9	177.9	0	0	0	112.5	T42 I43 G44 P49 V50	T42-L46 HydrophobicContact CG2-CD1 3.86Å; T42-L46 HydrophobicContact CG2-CG 4.4Å; T42-L46 WeakPolarHBondContact O-CB 3.27Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.28Å; T42-L46 PolarHBondContact O-N 3.37Å; I43-L46 PolarHBondContact O-N 3.03Å; G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 3.48Å; L46-P49 WeakPolarHBondContact O-CD 3.5Å; L46-V50 VanDerWaalsContact O-CG2 3.32Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 2.84Å
47	S	97.9	Very high	96.7	Very high	22 Å²	22	60.9 Å²	60.9	15%	0.154	33%	0.33	C	S	.	.	H	α-helix	trans	-69.4	-34.1	-176.6	-67.4	0	0	0	0	113.1	I43 G44 G51	I43-S47 VanDerWaalsContact O-CB 3.24Å; I43-S47 WeakPolarHBondContact O-CB 3.36Å; I43-S47 PolarHBondContact O-N 2.87Å; I43-S47 PolarHBondContact O-OG 3.44Å; G44-S47 PolarHBondContact O-N 2.98Å; S47-G51 PolarHBondContact O-N 2.77Å
48	I	97.9	Very high	96.7	Very high	40 Å²	40	59 Å²	59	21%	0.205	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-52.7	-178.4	-67	170.9	0	0	0	112.2	G44 V50 G51 I52 L325	G44-I48 WeakPolarHBondContact O-CG1 3.44Å; G44-I48 PolarHBondContact O-N 3.36Å; I48-V50 VanDerWaalsContact C-N 3.3Å; I48-V50 PolarHBondContact O-N 3.27Å; I48-G51 PolarHBondContact O-N 2.96Å; I48-G51 VanDerWaalsContact O-N 3.12Å; I48-I52 HydrophobicContact CG2-CD1 3.81Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 WeakPolarHBondContact O-CG1 3.38Å; I48-I52 PolarHBondContact O-N 3.17Å; I48-L325 HydrophobicContact CD1-CD1 3.42Å; I48-L325 VanDerWaalsContact CD1-CD1 3.42Å; I48-L325 HydrophobicContact CD1-CG 4.18Å
49	P	97.9	Very high	96.7	Very high	71 Å²	71	60.8 Å²	60.8	46%	0.461	33%	0.329	S	S	.	.	H	α-helix	trans	-57.4	-41.8	175.9	-25.5	34.4	0	0	0	112.6	L45 L46 I52 V53	L45-P49 WeakPolarHBondContact O-CD 3.32Å; L45-P49 VanDerWaalsContact O-CG 3.28Å; L45-P49 WeakPolarHBondContact O-CG 3.38Å; L46-P49 WeakPolarHBondContact O-CD 3.5Å; P49-I52 PolarHBondContact O-N 2.88Å; P49-V53 VanDerWaalsContact O-CG2 3.31Å; P49-V53 WeakPolarHBondContact O-CG2 3.3Å; P49-V53 PolarHBondContact O-N 2.96Å
50	V	97.5	Very high	96.6	Very high	65 Å²	65	60.4 Å²	60.4	39%	0.394	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-48	175	173.3	0	0	0	0	110.3	L46 I48 I52 V53 L54 Y317	L46-V50 VanDerWaalsContact O-CG2 3.32Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 2.84Å; I48-V50 VanDerWaalsContact C-N 3.3Å; I48-V50 PolarHBondContact O-N 3.27Å; V50-I52 VanDerWaalsContact C-N 3.34Å; V50-I52 PolarHBondContact O-N 2.83Å; V50-V53 PolarHBondContact O-N 3.06Å; V50-L54 HydrophobicContact CG1-CD1 3.86Å; V50-L54 HydrophobicContact CG1-CG 4.23Å; V50-L54 VanDerWaalsContact O-CG 3.23Å; V50-L54 WeakPolarHBondContact O-CG 3.46Å; V50-L54 PolarHBondContact O-N 3.5Å; V50-Y317 HydrophobicContact CB-CD1 4.11Å; V50-Y317 HydrophobicContact CB-CE1 4.43Å; V50-Y317 HydrophobicContact CG1-CD1 3.69Å; V50-Y317 HydrophobicContact CG1-CE1 3.7Å; V50-Y317 HydrophobicContact CG1-CG 4.39Å
51	G	97.9	Very high	96.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-40	178	0	0	0	0	0	113.6	S47 I48 L54 L55 G314 Y317	S47-G51 PolarHBondContact O-N 2.77Å; I48-G51 PolarHBondContact O-N 2.96Å; I48-G51 VanDerWaalsContact O-N 3.12Å; G51-L54 PolarHBondContact O-N 3.41Å; G51-L55 VanDerWaalsContact O-CB 3.28Å; G51-L55 WeakPolarHBondContact O-CB 3.33Å; G51-L55 PolarHBondContact O-N 3.45Å; G51-G314 WeakPolarHBondContact O-CA 3.45Å; G51-Y317 VanDerWaalsContact CA-CB 3.46Å
52	I	97.4	Very high	96.6	Very high	87 Å²	87	56.8 Å²	56.8	45%	0.446	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-48.1	174.2	-67.6	167.6	0	0	0	110.3	I48 P49 V50 L54 L55 T56 I318	I48-I52 HydrophobicContact CG2-CD1 3.81Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 WeakPolarHBondContact O-CG1 3.38Å; I48-I52 PolarHBondContact O-N 3.17Å; P49-I52 PolarHBondContact O-N 2.88Å; V50-I52 VanDerWaalsContact C-N 3.34Å; V50-I52 PolarHBondContact O-N 2.83Å; I52-L54 PolarHBondContact O-N 2.93Å; I52-L55 PolarHBondContact O-N 2.94Å; I52-T56 HydrophobicContact CG2-CG2 4.4Å; I52-T56 WeakPolarHBondContact O-CG2 3.35Å; I52-T56 PolarHBondContact O-N 2.83Å; I52-T56 PolarHBondContact O-OG1 3.29Å; I52-I318 HydrophobicContact CG1-CD1 4.27Å
53	V	97	Very high	96.6	Very high	73 Å²	73	55.5 Å²	55.5	44%	0.442	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-44.8	178.1	170.8	0	0	0	0	111.5	P49 V50 L55 T56 F57	P49-V53 VanDerWaalsContact O-CG2 3.31Å; P49-V53 WeakPolarHBondContact O-CG2 3.3Å; P49-V53 PolarHBondContact O-N 2.96Å; V50-V53 PolarHBondContact O-N 3.06Å; V53-L55 VanDerWaalsContact C-N 3.31Å; V53-L55 PolarHBondContact O-N 2.97Å; V53-T56 WeakPolarHBondContact CA-OG1 3.48Å; V53-T56 PolarHBondContact O-N 2.93Å; V53-T56 PolarHBondContact O-OG1 3.31Å; V53-F57 HydrophobicContact CG1-CD2 3.72Å; V53-F57 HydrophobicContact CG1-CE2 3.55Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; V53-F57 PolarHBondContact O-N 3.46Å; V53-F57 VanDerWaalsContact O-N 3.1Å
54	L	96.8	Very high	96.7	Very high	26 Å²	26	52.9 Å²	52.9	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-39.4	176.9	-65.3	173.3	0	0	0	111.4	V50 G51 I52 S58 L306 L313 Y317	V50-L54 HydrophobicContact CG1-CD1 3.86Å; V50-L54 HydrophobicContact CG1-CG 4.23Å; V50-L54 VanDerWaalsContact O-CG 3.23Å; V50-L54 WeakPolarHBondContact O-CG 3.46Å; V50-L54 PolarHBondContact O-N 3.5Å; G51-L54 PolarHBondContact O-N 3.41Å; I52-L54 PolarHBondContact O-N 2.93Å; L54-S58 WeakPolarHBondContact O-CB 3.32Å; L54-S58 PolarHBondContact O-N 3.39Å; L54-L306 HydrophobicContact CB-CD1 4.27Å; L54-L306 HydrophobicContact CD2-CD1 3.42Å; L54-L306 VanDerWaalsContact CD2-CD1 3.42Å; L54-L306 HydrophobicContact CD2-CD2 3.74Å; L54-L306 HydrophobicContact CD2-CG 4.21Å; L54-L306 HydrophobicContact CG-CD1 4.45Å; L54-L313 HydrophobicContact CD1-CD2 4.01Å; L54-L313 HydrophobicContact CD1-CG 3.98Å; L54-L313 HydrophobicContact CD2-CD2 4.46Å; L54-Y317 HydrophobicContact CD1-CD2 3.88Å; L54-Y317 HydrophobicContact CD1-CE2 4.06Å; L54-Y317 HydrophobicContact CD1-CG 4.19Å
55	L	96.4	Very high	96.7	Very high	42 Å²	42	56.3 Å²	56.3	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-68.9	-39.3	178.8	-174.2	60.6	0	0	0	112.2	G51 I52 V53 S58 N59 P311 I315 I318	G51-L55 VanDerWaalsContact O-CB 3.28Å; G51-L55 WeakPolarHBondContact O-CB 3.33Å; G51-L55 PolarHBondContact O-N 3.45Å; I52-L55 PolarHBondContact O-N 2.94Å; V53-L55 VanDerWaalsContact C-N 3.31Å; V53-L55 PolarHBondContact O-N 2.97Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-N59 WeakPolarHBondContact O-CB 3.4Å; L55-N59 PolarHBondContact O-N 3.41Å; L55-N59 PolarHBondContact O-ND2 3.43Å; L55-P311 HydrophobicContact CD1-CB 3.66Å; L55-I315 HydrophobicContact CD1-CG1 4.44Å; L55-I318 HydrophobicContact CD2-CD1 4.03Å
56	T	96.1	Very high	96.8	Very high	80 Å²	80	52 Å²	52	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-43.3	176.7	53.9	0	0	0	0	111.6	I52 V53 S58 N59 S60	I52-T56 HydrophobicContact CG2-CG2 4.4Å; I52-T56 WeakPolarHBondContact O-CG2 3.35Å; I52-T56 PolarHBondContact O-N 2.83Å; I52-T56 PolarHBondContact O-OG1 3.29Å; V53-T56 WeakPolarHBondContact CA-OG1 3.48Å; V53-T56 PolarHBondContact O-N 2.93Å; V53-T56 PolarHBondContact O-OG1 3.31Å; T56-S58 VanDerWaalsContact C-N 3.3Å; T56-S58 PolarHBondContact O-N 3.08Å; T56-N59 PolarHBondContact O-N 2.88Å; T56-S60 PolarHBondContact O-N 2.84Å
57	F	95.5	Very high	96.9	Very high	98 Å²	98	51.6 Å²	51.6	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-34.5	173.6	-80.5	-62.1	0	0	0	113.1	V53 S60 S304 L306	V53-F57 HydrophobicContact CG1-CD2 3.72Å; V53-F57 HydrophobicContact CG1-CE2 3.55Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; V53-F57 PolarHBondContact O-N 3.46Å; V53-F57 VanDerWaalsContact O-N 3.1Å; F57-S60 PolarHBondContact O-OG 3.24Å; F57-S304 WeakPolarHBondContact O-CB 3.42Å; F57-L306 HydrophobicContact CB-CD1 3.92Å
58	S	95.5	Very high	96.9	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-68.7	-39.9	175.7	-166.4	0	0	0	0	112.2	L54 L55 T56 V61 N310	L54-S58 WeakPolarHBondContact O-CB 3.32Å; L54-S58 PolarHBondContact O-N 3.39Å; L55-S58 PolarHBondContact O-N 3.48Å; T56-S58 VanDerWaalsContact C-N 3.3Å; T56-S58 PolarHBondContact O-N 3.08Å; S58-V61 PolarHBondContact O-N 2.9Å; S58-N310 WeakPolarHBondContact OG-CA 3.5Å; S58-N310 PolarHBondContact OG-N 2.51Å; S58-N310 PolarHBondContact OG-O 2.71Å
59	N	94.2	Very high	96.9	Very high	87 Å²	87	48.9 Å²	48.9	47%	0.465	28%	0.275	S	S	.	.	H	α-helix	trans	-77.8	-19.3	179.7	-74.3	-19.6	0	0	0	113.7	L55 T56 V61	L55-N59 WeakPolarHBondContact O-CB 3.4Å; L55-N59 PolarHBondContact O-N 3.41Å; L55-N59 PolarHBondContact O-ND2 3.43Å; T56-N59 PolarHBondContact O-N 2.88Å; N59-V61 PolarHBondContact O-N 3.46Å
60	S	93.9	Very high	96.8	Very high	77 Å²	77	49.9 Å²	49.9	54%	0.538	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.5	173.2	69.4	0	0	0	0	113.4	T56 F57 S62	T56-S60 PolarHBondContact O-N 2.84Å; F57-S60 PolarHBondContact O-OG 3.24Å; S60-S62 PolarHBondContact O-N 3.29Å
61	V	95.8	Very high	96.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	26%	0.258	C	S	.	.			trans	-79.6	117.9	174.9	178.1	0	0	0	0	110.4	S58 N59 S301 T302 R309	S58-V61 PolarHBondContact O-N 2.9Å; N59-V61 PolarHBondContact O-N 3.46Å; V61-S301 WeakPolarHBondContact CG1-OG 3.3Å; V61-T302 WeakPolarHBondContact CG1-O 3.28Å; V61-R309 HydrophobicContact CB-CB 4.07Å; V61-R309 HydrophobicContact CG1-CB 3.99Å
62	S	96.6	Very high	96.6	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.203	28%	0.281	C	S	.	.			trans	-82.1	125.2	171.9	-48.9	0	0	0	0	109.2	S60 F108 S301 T302	S60-S62 PolarHBondContact O-N 3.29Å; S62-F108 VanDerWaalsContact CB-CD1 3.41Å; S62-F108 VanDerWaalsContact CB-CE1 3.43Å; S62-F108 WeakPolarHBondContact O-CE2 3.36Å; S62-S301 CarbonylContact O-C 3.44Å; S62-S301 VanDerWaalsContact O-CA 3.31Å; S62-S301 WeakPolarHBondContact O-CA 3.44Å; S62-T302 PolarHBondContact N-OG1 2.98Å; S62-T302 PolarHBondContact O-N 3.24Å
63	E	97.4	Very high	96.5	Very high	50 Å²	50	48.2 Å²	48.2	23%	0.234	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.2	-179.5	-178.7	171.4	120.2	0	0	110.1	V65 R258 I299 L300	E63-V65 HydrophobicContact CG-CG2 4.17Å; E63-R258 IonicContact OE1-CZ 2.67Å; E63-R258 IonicContact OE1-NH1 3.27Å; E63-R258 IonicContact OE1-NH2 3.27Å; E63-R258 PolarHBondContact OE1-NH2 3.22Å; E63-R258 IonicContact OE2-CZ 2.68Å; E63-R258 IonicContact OE2-NH1 2.98Å; E63-R258 PolarHBondContact OE2-NH1 3.28Å; E63-R258 IonicContact OE2-NH2 3.8Å; E63-R258 PolarHBondContact OE2-NH2 3.39Å; E63-I299 HydrophobicContact CG-CG2 3.79Å; E63-L300 VanDerWaalsContact CA-O 3.31Å; E63-L300 WeakPolarHBondContact CA-O 3.35Å
64	V	97.8	Very high	96.3	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.7	166.6	63.9	0	0	0	0	109.1	V66 F102 L104 F108 I299 L300	V64-V66 HydrophobicContact CG2-CG2 4.14Å; V64-F102 HydrophobicContact CG1-CD2 4.23Å; V64-F102 HydrophobicContact CG1-CE2 3.93Å; V64-F102 HydrophobicContact CG2-CD2 4.1Å; V64-L104 HydrophobicContact CB-CD2 3.94Å; V64-L104 HydrophobicContact CG1-CD2 3.51Å; V64-L104 HydrophobicContact CG2-CD2 4.43Å; V64-F108 HydrophobicContact CB-CZ 4.26Å; V64-F108 HydrophobicContact CG1-CE2 4.37Å; V64-F108 HydrophobicContact CG1-CZ 4.18Å; V64-I299 WeakPolarHBondContact O-CA 3.42Å; V64-L300 HydrophobicContact CG1-CB 3.77Å; V64-L300 HydrophobicContact CG1-CD1 4.26Å; V64-L300 HydrophobicContact CG1-CG 4.39Å; V64-L300 PolarHBondContact N-O 2.95Å; V64-L300 PolarHBondContact O-N 3.5Å
65	V	97.9	Very high	96.1	Very high	72 Å²	72	52.8 Å²	52.8	44%	0.436	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.3	179	-179.6	0	0	0	0	108.3	E63 R297 I298 I299	E63-V65 HydrophobicContact CG-CG2 4.17Å; V65-R297 HydrophobicContact CG1-CB 4Å; V65-R297 HydrophobicContact CG1-CG 4.24Å; V65-I298 WeakPolarHBondContact CA-O 3.4Å; V65-I299 HydrophobicContact CG1-CG1 4.29Å; V65-I299 HydrophobicContact CG2-CG1 4.21Å; V65-I299 HydrophobicContact CG2-CG2 4.07Å
66	V	98.3	Very high	95.7	Very high	20 Å²	20	57.8 Å²	57.8	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.8	-179.2	-175.6	0	0	0	0	108.6	V64 V100 F102 R297 I298	V64-V66 HydrophobicContact CG2-CG2 4.14Å; V66-V100 HydrophobicContact CG1-CB 4.35Å; V66-V100 HydrophobicContact CG1-CG2 4.09Å; V66-F102 HydrophobicContact CG2-CB 3.71Å; V66-F102 HydrophobicContact CG2-CD1 3.68Å; V66-F102 HydrophobicContact CG2-CD2 4.35Å; V66-F102 HydrophobicContact CG2-CE1 4.37Å; V66-F102 HydrophobicContact CG2-CG 3.65Å; V66-R297 CarbonylContact O-C 3.45Å; V66-R297 WeakPolarHBondContact O-CA 3.3Å; V66-I298 PolarHBondContact N-O 3.35Å; V66-I298 PolarHBondContact O-N 2.93Å
67	E	98.2	Very high	95.5	Very high	109 Å²	109	60.8 Å²	60.8	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.4	173.3	-166.2	176.6	132.9	0	0	110.4	T69 K296	E67-T69 WeakPolarHBondContact CG-OG1 3.31Å; E67-T69 PolarHBondContact OE1-OG1 3.33Å; E67-K296 VanDerWaalsContact CG-O 3.28Å; E67-K296 WeakPolarHBondContact CG-O 3.35Å
68	Y	98.2	Very high	95.4	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.012	31%	0.31	C	S	.	.			trans	-129.2	16.2	-179.6	69.1	-86.7	0	0	0	113	H70 C71 F171 D173 F175 I283 Y285 K296 R297 I298	Y68-H70 VanDerWaalsContact C-N 3.26Å; Y68-H70 PolarHBondContact O-N 3.29Å; Y68-C71 VanDerWaalsContact O-CB 3.27Å; Y68-C71 WeakPolarHBondContact O-CB 3.21Å; Y68-C71 PolarHBondContact O-N 2.97Å; Y68-F171 WeakPolarHBondContact OH-CZ 3.27Å; Y68-D173 WeakPolarHBondContact CE2-OD2 3.3Å; Y68-D173 PolarHBondContact OH-OD2 3.05Å; Y68-D173 VanDerWaalsContact OH-OD2 3.08Å; Y68-F175 AromaticContact CE1-CE1 3.98Å; Y68-F175 HydrophobicContact CE1-CE1 3.98Å; Y68-F175 HydrophobicContact CE1-CZ 4.17Å; Y68-F175 HydrophobicContact CE2-CE1 4.1Å; Y68-F175 HydrophobicContact CE2-CZ 4.39Å; Y68-F175 AromaticContact CZ-CE1 3.69Å; Y68-F175 AromaticContact CZ-CZ 3.71Å; Y68-F175 VanDerWaalsContact OH-CZ 3.31Å; Y68-F175 WeakPolarHBondContact OH-CZ 3.24Å; Y68-I283 HydrophobicContact CD1-CD1 4.2Å; Y68-I283 HydrophobicContact CD2-CD1 3.51Å; Y68-I283 HydrophobicContact CD2-CG2 4.14Å; Y68-I283 HydrophobicContact CE2-CD1 4.23Å; Y68-I283 HydrophobicContact CE2-CG2 4.02Å; Y68-I283 HydrophobicContact CG-CD1 3.5Å; Y68-I283 VanDerWaalsContact CG-CD1 3.5Å; Y68-Y285 HydrophobicContact CD2-CD2 4.02Å; Y68-Y285 HydrophobicContact CD2-CE2 4.12Å; Y68-Y285 HydrophobicContact CE2-CD2 4.2Å; Y68-Y285 HydrophobicContact CE2-CE2 4.31Å; Y68-K296 HydrophobicContact CD1-CB 4.28Å; Y68-K296 WeakPolarHBondContact CD1-O 3.48Å; Y68-K296 HydrophobicContact CD2-CB 4.36Å; Y68-K296 HydrophobicContact CE1-CB 3.68Å; Y68-K296 HydrophobicContact CE2-CB 3.79Å; Y68-K296 HydrophobicContact CE2-CD 4Å; Y68-K296 VanDerWaalsContact CE2-CE 3.46Å; Y68-K296 PolarHBondContact N-O 3.29Å; Y68-K296 WeakPolarHBondContact OH-CB 3.4Å; Y68-R297 VanDerWaalsContact CE1-C 3.44Å; Y68-I298 HydrophobicContact CD1-CD1 3.82Å; Y68-I298 HydrophobicContact CD1-CG1 3.76Å; Y68-I298 HydrophobicContact CE1-CD1 4.18Å; Y68-I298 HydrophobicContact CE1-CG1 3.71Å; Y68-I298 HydrophobicContact CG-CD1 4.39Å
69	T	98	Very high	95.4	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-43.3	-177.9	-45.5	0	0	0	0	112.9	E67 S81 Y285 V289 T290 T295 K296	E67-T69 WeakPolarHBondContact CG-OG1 3.31Å; E67-T69 PolarHBondContact OE1-OG1 3.33Å; T69-S81 WeakPolarHBondContact O-CB 3.31Å; T69-Y285 WeakPolarHBondContact O-CE2 3.45Å; T69-Y285 PolarHBondContact O-OH 3.47Å; T69-Y285 VanDerWaalsContact O-OH 3.08Å; T69-V289 HydrophobicContact CG2-CG2 3.93Å; T69-T290 HydrophobicContact CG2-CG2 3.77Å; T69-T295 WeakPolarHBondContact OG1-CA 3.29Å; T69-T295 WeakPolarHBondContact OG1-CB 3.32Å; T69-K296 PolarHBondContact OG1-N 2.95Å; T69-K296 PolarHBondContact OG1-O 2.99Å
70	H	96.7	Very high	95.5	Very high	93 Å²	93	60.4 Å²	60.4	43%	0.431	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	28	-175.8	-60.8	-59.6	0	0	0	113.1	Y68 S81	Y68-H70 VanDerWaalsContact C-N 3.26Å; Y68-H70 PolarHBondContact O-N 3.29Å; H70-S81 PolarHBondContact ND1-OG 3.42Å
71	C	95.9	Very high	95.6	Very high	11 Å²	11	56.8 Å²	56.8	7%	0.074	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-59.7	140.1	175.9	-170.9	0	0	0	0	111.2	Y68 C80 C98 V100	Y68-C71 VanDerWaalsContact O-CB 3.27Å; Y68-C71 WeakPolarHBondContact O-CB 3.21Å; Y68-C71 PolarHBondContact O-N 2.97Å; C71-C80 PolarHBondContact O-N 3.32Å; C71-C98 HydrophobicContact CB-CB 3.86Å; C71-C98 WeakPolarHBondContact CB-SG 3.32Å; C71-C98 WeakPolarHBondContact SG-CB 3.4Å; C71-C98 CovalentContact SG-SG 2.02Å; C71-C98 PolarHBondContact SG-SG 3.17Å; C71-V100 HydrophobicContact CB-CG1 4.3Å; C71-V100 VanDerWaalsContact SG-CG1 3.59Å
72	E	95.9	Very high	95.5	Very high	102 Å²	102	60.9 Å²	60.9	48%	0.477	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-95	141.9	-177	-67.5	-177	174.4	0	0	111.7	T74 T78 R79 C98	E72-T74 PolarHBondContact O-N 3.27Å; E72-T78 WeakPolarHBondContact CA-O 3.37Å; E72-R79 HydrophobicContact CG-CG 4Å; E72-C98 WeakPolarHBondContact O-CB 3.42Å
73	D	95.2	Very high	95.4	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-60.7	130.7	175	-170.4	-83.5	0	0	0	110.1	V75 R76 H77 T78 C96 S97	D73-V75 PolarHBondContact O-N 3.23Å; D73-V75 WeakPolarHBondContact OD1-CA 3.23Å; D73-V75 PolarHBondContact OD1-N 2.95Å; D73-R76 HydrophobicContact CB-CB 4.03Å; D73-R76 PolarHBondContact OD1-N 3.43Å; D73-R76 IonicContact OD1-NH1 2.68Å; D73-R76 IonicContact OD2-CZ 3.36Å; D73-R76 IonicContact OD2-NH1 3.05Å; D73-R76 PolarHBondContact OD2-NH1 3.02Å; D73-H77 WeakPolarHBondContact O-CA 3.16Å; D73-H77 PolarHBondContact O-N 3.1Å; D73-T78 PolarHBondContact N-O 3.43Å; D73-C96 VanDerWaalsContact CB-SG 3.53Å; D73-C96 PolarHBondContact OD2-SG 2.89Å; D73-S97 CarbonylContact C-O 3.55Å; D73-S97 WeakPolarHBondContact CA-O 3.31Å
74	T	92.3	Very high	95.2	Very high	76 Å²	76	58.8 Å²	58.8	47%	0.466	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.1	-175.7	53.3	0	0	0	0	113.9	E72 S97 K99	E72-T74 PolarHBondContact O-N 3.27Å; T74-S97 PolarHBondContact N-O 3.32Å; T74-S97 PolarHBondContact OG1-O 3.09Å; T74-K99 HydrophobicContact CG2-CB 4.06Å
75	V	91.6	Very high	94.9	Very high	119 Å²	119	63.5 Å²	63.5	72%	0.721	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-46.3	-178.6	-177.6	0	0	0	0	111	D73	D73-V75 PolarHBondContact O-N 3.23Å; D73-V75 WeakPolarHBondContact OD1-CA 3.23Å; D73-V75 PolarHBondContact OD1-N 2.95Å
76	R	89.4	Confident	94.5	Very high	146 Å²	146	64.3 Å²	64.3	55%	0.551	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.3	-173.5	-58.3	179.1	-174.2	94.5	-2.2	113.3	D73 T78	D73-R76 HydrophobicContact CB-CB 4.03Å; D73-R76 PolarHBondContact OD1-N 3.43Å; D73-R76 IonicContact OD1-NH1 2.68Å; D73-R76 IonicContact OD2-CZ 3.36Å; D73-R76 IonicContact OD2-NH1 3.05Å; D73-R76 PolarHBondContact OD2-NH1 3.02Å; R76-T78 PolarHBondContact O-N 3.4Å; R76-T78 VanDerWaalsContact O-N 3.14Å
77	H	90.1	Very high	94	Very high	143 Å²	143	67.5 Å²	67.5	66%	0.662	33%	0.327	S	S	*	.			trans	52.9	31	-173.6	-58.4	-68	0	0	0	113.3	D73	D73-H77 WeakPolarHBondContact O-CA 3.16Å; D73-H77 PolarHBondContact O-N 3.1Å
78	T	93.8	Very high	93.7	Very high	59 Å²	59	67 Å²	67	36%	0.362	33%	0.325	S	S	.	.	S	Bend	trans	-112	147.7	174.6	52.5	0	0	0	0	109.3	E72 D73 R76 C80	E72-T78 WeakPolarHBondContact CA-O 3.37Å; D73-T78 PolarHBondContact N-O 3.43Å; R76-T78 PolarHBondContact O-N 3.4Å; R76-T78 VanDerWaalsContact O-N 3.14Å; T78-C80 PolarHBondContact O-N 2.92Å
79	R	95.9	Very high	93.3	Very high	124 Å²	124	67.6 Å²	67.6	47%	0.468	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-63.9	125.6	177.4	-69	-179.7	179	-178.9	-0.2	109.9	E72 S81 E82 L83	E72-R79 HydrophobicContact CG-CG 4Å; R79-S81 PolarHBondContact O-N 2.86Å; R79-S81 VanDerWaalsContact O-N 3.09Å; R79-E82 HydrophobicContact CB-CG 4.27Å; R79-E82 PolarHBondContact O-N 3.27Å; R79-L83 PolarHBondContact O-N 3.45Å
80	C	96.8	Very high	93	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-56.6	-30	174.9	-65.8	0	0	0	0	111.7	C71 T78 E82 L83 V84 C96 C98 Y285	C71-C80 PolarHBondContact O-N 3.32Å; T78-C80 PolarHBondContact O-N 2.92Å; C80-E82 PolarHBondContact O-N 3.3Å; C80-L83 PolarHBondContact O-N 2.89Å; C80-V84 WeakPolarHBondContact O-CG1 3.24Å; C80-V84 WeakPolarHBondContact O-CG2 3.24Å; C80-V84 PolarHBondContact O-N 3.41Å; C80-V84 VanDerWaalsContact O-N 3.1Å; C80-C96 WeakPolarHBondContact CA-SG 3.36Å; C80-C96 HydrophobicContact CB-CB 3.63Å; C80-C96 WeakPolarHBondContact CB-SG 3.42Å; C80-C96 WeakPolarHBondContact SG-CB 3.17Å; C80-C96 CovalentContact SG-SG 2.03Å; C80-C96 PolarHBondContact SG-SG 2.85Å; C80-C98 VanDerWaalsContact SG-CB 3.55Å; C80-Y285 HydrophobicContact CB-CD1 3.66Å; C80-Y285 HydrophobicContact CB-CD2 3.74Å; C80-Y285 HydrophobicContact CB-CE1 4.08Å; C80-Y285 HydrophobicContact CB-CE2 4.13Å; C80-Y285 HydrophobicContact CB-CG 3.5Å; C80-Y285 VanDerWaalsContact CB-CG 3.5Å
81	S	96.1	Very high	92.5	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-26.7	175.8	65.7	0	0	0	0	114.7	T69 H70 R79 R85	T69-S81 WeakPolarHBondContact O-CB 3.31Å; H70-S81 PolarHBondContact ND1-OG 3.42Å; R79-S81 PolarHBondContact O-N 2.86Å; R79-S81 VanDerWaalsContact O-N 3.09Å; S81-R85 WeakPolarHBondContact O-CD 3.43Å; S81-R85 VanDerWaalsContact O-CG 3.29Å; S81-R85 WeakPolarHBondContact O-CG 3.32Å
82	E	94.1	Very high	92.1	Very high	89 Å²	89	79.7 Å²	79.7	42%	0.416	38%	0.379	S	S	.	.	H	α-helix	trans	-87.9	-37.5	177	-58.3	-44.7	123.4	0	0	111.2	R79 C80 V84 R85	R79-E82 HydrophobicContact CB-CG 4.27Å; R79-E82 PolarHBondContact O-N 3.27Å; C80-E82 PolarHBondContact O-N 3.3Å; E82-V84 PolarHBondContact O-N 2.88Å; E82-R85 WeakPolarHBondContact O-CB 3.29Å; E82-R85 PolarHBondContact O-N 3.49Å; E82-R85 VanDerWaalsContact O-N 3.17Å; E82-R85 IonicContact OE2-NH1 3.34Å; E82-R85 PolarHBondContact OE2-NH1 2.87Å
83	L	93.5	Very high	91.7	Very high	33 Å²	33	77.9 Å²	77.9	17%	0.173	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-43.9	177.6	-63.8	-179.6	0	0	0	111.8	R79 C80 R85 L86 F89 C96	R79-L83 PolarHBondContact O-N 3.45Å; C80-L83 PolarHBondContact O-N 2.89Å; L83-R85 PolarHBondContact O-N 3.4Å; L83-R85 VanDerWaalsContact O-N 3.12Å; L83-L86 WeakPolarHBondContact O-CB 3.37Å; L83-L86 PolarHBondContact O-N 2.89Å; L83-L86 VanDerWaalsContact O-N 3.15Å; L83-F89 HydrophobicContact CB-CD2 4.05Å; L83-F89 HydrophobicContact CB-CE2 4.15Å; L83-F89 WeakPolarHBondContact O-CB 3.44Å; L83-C96 HydrophobicContact CD1-CB 4.27Å
84	V	93.7	Very high	91.6	Very high	1 Å²	1	81 Å²	81	1%	0.006	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.6	179.5	-61.2	0	0	0	0	114.3	C80 E82 F89 Y90 Y285 P288	C80-V84 WeakPolarHBondContact O-CG1 3.24Å; C80-V84 WeakPolarHBondContact O-CG2 3.24Å; C80-V84 PolarHBondContact O-N 3.41Å; C80-V84 VanDerWaalsContact O-N 3.1Å; E82-V84 PolarHBondContact O-N 2.88Å; V84-F89 HydrophobicContact CB-CD1 4.48Å; V84-F89 HydrophobicContact CB-CE1 4.47Å; V84-F89 HydrophobicContact CG1-CD1 4.17Å; V84-F89 HydrophobicContact CG1-CE1 3.71Å; V84-F89 HydrophobicContact CG1-CE2 4.32Å; V84-F89 HydrophobicContact CG1-CZ 3.79Å; V84-Y90 WeakPolarHBondContact CB-OH 3.44Å; V84-Y90 WeakPolarHBondContact O-CE2 3.28Å; V84-Y90 PolarHBondContact O-OH 2.86Å; V84-Y285 HydrophobicContact CB-CE1 4.39Å; V84-Y285 HydrophobicContact CG1-CD1 3.63Å; V84-Y285 HydrophobicContact CG1-CE1 3.66Å; V84-Y285 HydrophobicContact CG2-CE1 3.87Å; V84-P288 HydrophobicContact CB-CB 4.29Å; V84-P288 HydrophobicContact CG2-CB 3.98Å
85	R	91.1	Very high	91.7	Very high	128 Å²	128	79.6 Å²	79.6	48%	0.483	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-19	174.7	-63.8	173.9	87.7	162.6	8.1	112.1	S81 E82 L83	S81-R85 WeakPolarHBondContact O-CD 3.43Å; S81-R85 VanDerWaalsContact O-CG 3.29Å; S81-R85 WeakPolarHBondContact O-CG 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.29Å; E82-R85 PolarHBondContact O-N 3.49Å; E82-R85 VanDerWaalsContact O-N 3.17Å; E82-R85 IonicContact OE2-NH1 3.34Å; E82-R85 PolarHBondContact OE2-NH1 2.87Å; L83-R85 PolarHBondContact O-N 3.4Å; L83-R85 VanDerWaalsContact O-N 3.12Å
86	L	91	Very high	91.9	Very high	90 Å²	90	73.9 Å²	73.9	47%	0.471	34%	0.34	S	S	.	.	S	Bend	trans	-77.2	125.9	-179	-59.2	174.6	0	0	0	109.6	L83 E88 F89	L83-L86 WeakPolarHBondContact O-CB 3.37Å; L83-L86 PolarHBondContact O-N 2.89Å; L83-L86 VanDerWaalsContact O-N 3.15Å; L86-E88 PolarHBondContact O-N 2.92Å; L86-E88 VanDerWaalsContact O-N 3.14Å; L86-F89 WeakPolarHBondContact O-CB 3.29Å; L86-F89 PolarHBondContact O-N 3.49Å
87	P	87.6	Confident	92.2	Very high	87 Å²	87	69.7 Å²	69.7	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-54.3	-33.3	177.3	-27.4	35.6	0	0	0	113.6	F89 Y90	P87-F89 PolarHBondContact O-N 3.48Å; P87-Y90 PolarHBondContact O-N 3.48Å
88	E	90.6	Very high	92.6	Very high	97 Å²	97	63 Å²	63	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-28.5	178.6	-66.4	64.1	-135.2	0	0	112.3	L86 Y90 R91	L86-E88 PolarHBondContact O-N 2.92Å; L86-E88 VanDerWaalsContact O-N 3.14Å; E88-Y90 PolarHBondContact O-N 3.01Å; E88-R91 PolarHBondContact O-N 3.45Å; E88-R91 IonicContact OE1-CZ 3.83Å; E88-R91 IonicContact OE1-NH2 4Å; E88-R91 PolarHBondContact OE1-NH2 2.96Å; E88-R91 VanDerWaalsContact OE1-NH2 3.14Å
89	F	91.1	Very high	92.7	Very high	16 Å²	16	64.5 Å²	64.5	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-39.2	179.7	-173	-91.2	0	0	0	111.6	L83 V84 L86 P87 N94 C96	L83-F89 HydrophobicContact CB-CD2 4.05Å; L83-F89 HydrophobicContact CB-CE2 4.15Å; L83-F89 WeakPolarHBondContact O-CB 3.44Å; V84-F89 HydrophobicContact CB-CD1 4.48Å; V84-F89 HydrophobicContact CB-CE1 4.47Å; V84-F89 HydrophobicContact CG1-CD1 4.17Å; V84-F89 HydrophobicContact CG1-CE1 3.71Å; V84-F89 HydrophobicContact CG1-CE2 4.32Å; V84-F89 HydrophobicContact CG1-CZ 3.79Å; L86-F89 WeakPolarHBondContact O-CB 3.29Å; L86-F89 PolarHBondContact O-N 3.49Å; P87-F89 PolarHBondContact O-N 3.48Å; F89-N94 HydrophobicContact CD2-CB 4.01Å; F89-N94 WeakPolarHBondContact CE1-O 3.45Å; F89-N94 HydrophobicContact CE2-CB 3.98Å; F89-N94 HydrophobicContact CG-CB 4.32Å; F89-N94 HydrophobicContact CZ-CB 4.25Å; F89-N94 WeakPolarHBondContact CZ-O 3.42Å; F89-N94 VanDerWaalsContact O-CB 3.29Å; F89-N94 WeakPolarHBondContact O-CB 3.44Å; F89-N94 PolarHBondContact O-N 2.92Å; F89-N94 VanDerWaalsContact O-N 3.09Å; F89-N94 PolarHBondContact O-ND2 3.08Å; F89-C96 HydrophobicContact CE2-CB 4.32Å; F89-C96 HydrophobicContact CZ-CB 4.44Å
90	Y	90.1	Very high	92.8	Very high	80 Å²	80	59.6 Å²	59.6	31%	0.314	29%	0.287	S	S	.	.	H	α-helix	trans	-87.6	-15	-175.5	-59.7	-73.4	0	0	0	114.4	V84 P87 E88 T92 Y93 P288	V84-Y90 WeakPolarHBondContact CB-OH 3.44Å; V84-Y90 WeakPolarHBondContact O-CE2 3.28Å; V84-Y90 PolarHBondContact O-OH 2.86Å; P87-Y90 PolarHBondContact O-N 3.48Å; E88-Y90 PolarHBondContact O-N 3.01Å; Y90-T92 PolarHBondContact O-N 2.96Å; Y90-Y93 PolarHBondContact O-N 3.09Å; Y90-P288 VanDerWaalsContact OH-CB 3.3Å; Y90-P288 WeakPolarHBondContact OH-CB 3.33Å; Y90-P288 VanDerWaalsContact OH-CD 3.29Å; Y90-P288 WeakPolarHBondContact OH-CD 3.26Å; Y90-P288 WeakPolarHBondContact OH-CG 3.29Å
91	R	87	Confident	92.8	Very high	184 Å²	184	64.7 Å²	64.7	69%	0.694	31%	0.311	S	S	*	.	H	α-helix	trans	-58.9	-35.7	-178	-67.5	-173.6	-170.2	179.5	8.7	112.9	E88	E88-R91 PolarHBondContact O-N 3.45Å; E88-R91 IonicContact OE1-CZ 3.83Å; E88-R91 IonicContact OE1-NH2 4Å; E88-R91 PolarHBondContact OE1-NH2 2.96Å; E88-R91 VanDerWaalsContact OE1-NH2 3.14Å
92	T	87.7	Confident	92.9	Very high	96 Å²	96	65.8 Å²	65.8	59%	0.589	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	17.9	179.2	53.4	0	0	0	0	113.1	Y90 N94	Y90-T92 PolarHBondContact O-N 2.96Å; T92-N94 VanDerWaalsContact C-N 3.27Å; T92-N94 PolarHBondContact O-N 3.4Å; T92-N94 PolarHBondContact OG1-ND2 2.66Å; T92-N94 PolarHBondContact OG1-OD1 3.01Å
93	Y	88.3	Confident	93.1	Very high	64 Å²	64	66.5 Å²	66.5	25%	0.251	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	49	-174.3	-58.6	-83.4	0	0	0	112.1	Y90 K223 L225 W227 K228	Y90-Y93 PolarHBondContact O-N 3.09Å; Y93-K223 PolarHBondContact OH-NZ 3.33Å; Y93-L225 WeakPolarHBondContact CE1-O 3.3Å; Y93-L225 PolarHBondContact OH-O 3.38Å; Y93-W227 VanDerWaalsContact CE1-O 3.27Å; Y93-W227 WeakPolarHBondContact CE1-O 3.29Å; Y93-W227 PolarHBondContact OH-O 3.28Å; Y93-K228 HydrophobicContact CD1-CB 4.04Å; Y93-K228 HydrophobicContact CG-CB 4.15Å; Y93-K228 HydrophobicContact CG-CG 4.13Å
94	N	92.3	Very high	93.3	Very high	69 Å²	69	65 Å²	65	37%	0.369	31%	0.312	S	S	.	.			trans	-62.9	159.5	179	-66.3	-44.5	0	0	0	110.9	F89 T92	F89-N94 HydrophobicContact CD2-CB 4.01Å; F89-N94 WeakPolarHBondContact CE1-O 3.45Å; F89-N94 HydrophobicContact CE2-CB 3.98Å; F89-N94 HydrophobicContact CG-CB 4.32Å; F89-N94 HydrophobicContact CZ-CB 4.25Å; F89-N94 WeakPolarHBondContact CZ-O 3.42Å; F89-N94 VanDerWaalsContact O-CB 3.29Å; F89-N94 WeakPolarHBondContact O-CB 3.44Å; F89-N94 PolarHBondContact O-N 2.92Å; F89-N94 VanDerWaalsContact O-N 3.09Å; F89-N94 PolarHBondContact O-ND2 3.08Å; T92-N94 VanDerWaalsContact C-N 3.27Å; T92-N94 PolarHBondContact O-N 3.4Å; T92-N94 PolarHBondContact OG1-ND2 2.66Å; T92-N94 PolarHBondContact OG1-OD1 3.01Å
95	I	93.8	Very high	93.4	Very high	46 Å²	46	73.8 Å²	73.8	24%	0.236	35%	0.35	C	S	.	.			trans	-129.7	138.8	179.7	-62.2	168.2	0	0	0	107.1	E284	I95-E284 HydrophobicContact CG2-CB 3.45Å; I95-E284 VanDerWaalsContact CG2-CB 3.45Å; I95-E284 HydrophobicContact CG2-CG 3.86Å
96	C	96.3	Very high	93.6	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.5	168.2	-177.3	0	0	0	0	108.7	D73 C80 L83 F89 Y285	D73-C96 VanDerWaalsContact CB-SG 3.53Å; D73-C96 PolarHBondContact OD2-SG 2.89Å; C80-C96 WeakPolarHBondContact CA-SG 3.36Å; C80-C96 HydrophobicContact CB-CB 3.63Å; C80-C96 WeakPolarHBondContact CB-SG 3.42Å; C80-C96 WeakPolarHBondContact SG-CB 3.17Å; C80-C96 CovalentContact SG-SG 2.03Å; C80-C96 PolarHBondContact SG-SG 2.85Å; L83-C96 HydrophobicContact CD1-CB 4.27Å; F89-C96 HydrophobicContact CE2-CB 4.32Å; F89-C96 HydrophobicContact CZ-CB 4.44Å; C96-Y285 PolarHBondContact N-O 3.3Å; C96-Y285 WeakPolarHBondContact O-CA 3.43Å; C96-Y285 VanDerWaalsContact O-CB 3.27Å; C96-Y285 WeakPolarHBondContact O-CB 3.31Å; C96-Y285 PolarHBondContact O-N 2.77Å
97	S	96.6	Very high	93.8	Very high	58 Å²	58	74.9 Å²	74.9	41%	0.406	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.6	-178.1	-65.6	0	0	0	0	109.2	D73 T74 I283	D73-S97 CarbonylContact C-O 3.55Å; D73-S97 WeakPolarHBondContact CA-O 3.31Å; T74-S97 PolarHBondContact N-O 3.32Å; T74-S97 PolarHBondContact OG1-O 3.09Å; S97-I283 WeakPolarHBondContact CA-O 3.46Å
98	C	97	Very high	94.3	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.4	-174.1	107.8	0	0	0	0	109.7	C71 E72 C80 I283	C71-C98 HydrophobicContact CB-CB 3.86Å; C71-C98 WeakPolarHBondContact CB-SG 3.32Å; C71-C98 WeakPolarHBondContact SG-CB 3.4Å; C71-C98 CovalentContact SG-SG 2.02Å; C71-C98 PolarHBondContact SG-SG 3.17Å; E72-C98 WeakPolarHBondContact O-CB 3.42Å; C80-C98 VanDerWaalsContact SG-CB 3.55Å; C98-I283 PolarHBondContact N-O 3.35Å; C98-I283 PolarHBondContact O-N 3.17Å
99	K	97.2	Very high	94.5	Very high	90 Å²	90	73.3 Å²	73.3	39%	0.391	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.8	-177.3	-172.7	-173.3	-176.3	-156	0	110.1	T74 E101 S280 V281 N282	T74-K99 HydrophobicContact CG2-CB 4.06Å; K99-E101 VanDerWaalsContact CE-OE1 3.29Å; K99-E101 WeakPolarHBondContact CE-OE1 3.2Å; K99-E101 IonicContact NZ-OE1 2.8Å; K99-E101 PolarHBondContact NZ-OE1 2.94Å; K99-S280 WeakPolarHBondContact CE-OG 3.24Å; K99-S280 WeakPolarHBondContact CG-OG 3.49Å; K99-V281 WeakPolarHBondContact CA-O 3.48Å; K99-N282 WeakPolarHBondContact CG-OD1 3.35Å
100	V	97.4	Very high	94.7	Very high	21 Å²	21	74.3 Å²	74.3	13%	0.127	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.6	171.8	-61.1	0	0	0	0	110.1	V66 C71 S280 V281 I283 I298	V66-V100 HydrophobicContact CG1-CB 4.35Å; V66-V100 HydrophobicContact CG1-CG2 4.09Å; C71-V100 HydrophobicContact CB-CG1 4.3Å; C71-V100 VanDerWaalsContact SG-CG1 3.59Å; V100-S280 CarbonylContact O-C 3.55Å; V100-S280 WeakPolarHBondContact O-CA 3.42Å; V100-V281 HydrophobicContact CG2-CB 3.98Å; V100-V281 PolarHBondContact N-O 3.34Å; V100-V281 PolarHBondContact O-N 2.74Å; V100-I283 HydrophobicContact CG1-CD1 4.25Å; V100-I283 HydrophobicContact CG2-CD1 3.87Å; V100-I298 HydrophobicContact CG2-CD1 4.2Å
101	E	97.2	Very high	95	Very high	108 Å²	108	73.8 Å²	73.8	51%	0.505	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.5	177.2	-63.3	-173.6	176.8	0	0	110.3	K99 Y279	K99-E101 VanDerWaalsContact CE-OE1 3.29Å; K99-E101 WeakPolarHBondContact CE-OE1 3.2Å; K99-E101 IonicContact NZ-OE1 2.8Å; K99-E101 PolarHBondContact NZ-OE1 2.94Å; E101-Y279 CarbonylContact C-O 3.53Å; E101-Y279 VanDerWaalsContact CA-O 3.26Å; E101-Y279 WeakPolarHBondContact CA-O 3.48Å
102	F	97.8	Very high	95.5	Very high	22 Å²	22	65 Å²	65	10%	0.096	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.2	175.5	65	-89.1	0	0	0	110.2	V64 V66 L104 L177 Y279 V281 L300	V64-F102 HydrophobicContact CG1-CD2 4.23Å; V64-F102 HydrophobicContact CG1-CE2 3.93Å; V64-F102 HydrophobicContact CG2-CD2 4.1Å; V66-F102 HydrophobicContact CG2-CB 3.71Å; V66-F102 HydrophobicContact CG2-CD1 3.68Å; V66-F102 HydrophobicContact CG2-CD2 4.35Å; V66-F102 HydrophobicContact CG2-CE1 4.37Å; V66-F102 HydrophobicContact CG2-CG 3.65Å; F102-L104 HydrophobicContact CD2-CD2 4.05Å; F102-L104 HydrophobicContact CD2-CG 4.43Å; F102-L104 HydrophobicContact CE2-CD2 3.71Å; F102-L104 HydrophobicContact CE2-CG 3.98Å; F102-L177 HydrophobicContact CE1-CD1 4.14Å; F102-L177 HydrophobicContact CZ-CD1 3.95Å; F102-Y279 HydrophobicContact CE2-CD2 4.22Å; F102-Y279 HydrophobicContact CE2-CG 4.13Å; F102-Y279 VanDerWaalsContact CZ-CB 3.45Å; F102-Y279 HydrophobicContact CZ-CG 4.08Å; F102-Y279 PolarHBondContact N-O 3.11Å; F102-Y279 PolarHBondContact O-N 3.09Å; F102-V281 HydrophobicContact CE1-CG2 3.78Å; F102-L300 HydrophobicContact CE2-CD1 3.94Å; F102-L300 HydrophobicContact CZ-CD1 3.51Å
103	E	97.6	Very high	96	Very high	104 Å²	104	62.9 Å²	62.9	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.1	178.5	-174.6	178	-159.2	0	0	110.9	G277 I278	E103-G277 WeakPolarHBondContact CA-O 3.44Å; E103-I278 HydrophobicContact CG-CG1 4.45Å
104	L	97.7	Very high	96.5	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.2	163.9	-62.1	-170.8	0	0	0	108.6	V64 F102 E106 F108 L274 A276 G277 Y279	V64-L104 HydrophobicContact CB-CD2 3.94Å; V64-L104 HydrophobicContact CG1-CD2 3.51Å; V64-L104 HydrophobicContact CG2-CD2 4.43Å; F102-L104 HydrophobicContact CD2-CD2 4.05Å; F102-L104 HydrophobicContact CD2-CG 4.43Å; F102-L104 HydrophobicContact CE2-CD2 3.71Å; F102-L104 HydrophobicContact CE2-CG 3.98Å; L104-E106 PolarHBondContact O-N 3.17Å; L104-F108 HydrophobicContact CD1-CD1 4.27Å; L104-F108 HydrophobicContact CD1-CE1 4.41Å; L104-F108 HydrophobicContact CD1-CG 4.48Å; L104-F108 HydrophobicContact CD2-CE1 3.86Å; L104-F108 HydrophobicContact CD2-CE2 4.49Å; L104-F108 HydrophobicContact CD2-CZ 3.85Å; L104-L274 HydrophobicContact CD1-CB 3.92Å; L104-L274 HydrophobicContact CD1-CD1 4.16Å; L104-A276 WeakPolarHBondContact O-CA 3.22Å; L104-A276 WeakPolarHBondContact O-CB 3.49Å; L104-G277 PolarHBondContact N-O 3.11Å; L104-G277 PolarHBondContact O-N 2.95Å; L104-Y279 HydrophobicContact CB-CD2 4.4Å; L104-Y279 HydrophobicContact CB-CE2 4.18Å; L104-Y279 HydrophobicContact CD1-CD2 3.9Å; L104-Y279 HydrophobicContact CD1-CE2 3.44Å; L104-Y279 VanDerWaalsContact CD1-CE2 3.44Å; L104-Y279 HydrophobicContact CG-CD2 3.77Å; L104-Y279 HydrophobicContact CG-CE2 3.73Å
105	K	95.3	Very high	96.8	Very high	185 Å²	185	57.6 Å²	57.6	80%	0.804	28%	0.278	S	S	*	.	S	Bend	trans	-63.5	-32.6	178.1	-64.5	-174.1	179	-176.3	0	112.9
106	E	95.3	Very high	97	Very high	144 Å²	144	55.9 Å²	55.9	67%	0.673	27%	0.269	S	S	*	.	S	Bend	trans	-126.9	152.2	179.7	-65.2	178	-175.2	0	0	109.1	L104	L104-E106 PolarHBondContact O-N 3.17Å
107	E	96.5	Very high	97.1	Very high	97 Å²	97	55.9 Å²	55.9	45%	0.453	27%	0.269	S	S	.	.			trans	-68	141.1	173.6	61.9	-179.7	163.1	0	0	110.8	K109 L274	E107-K109 HydrophobicContact CG-CG 4.14Å; E107-K109 WeakPolarHBondContact OE1-CE 3.33Å; E107-K109 IonicContact OE1-NZ 3Å; E107-K109 PolarHBondContact OE1-NZ 2.94Å; E107-L274 CarbonylContact C-O 3.54Å; E107-L274 VanDerWaalsContact CA-O 3.31Å; E107-L274 WeakPolarHBondContact CA-O 3.47Å
108	F	97.5	Very high	97.2	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.053	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.1	173.4	-75.4	25.5	0	0	0	107.7	S62 V64 L104 V112 G273 L274 L300 T302	S62-F108 VanDerWaalsContact CB-CD1 3.41Å; S62-F108 VanDerWaalsContact CB-CE1 3.43Å; S62-F108 WeakPolarHBondContact O-CE2 3.36Å; V64-F108 HydrophobicContact CB-CZ 4.26Å; V64-F108 HydrophobicContact CG1-CE2 4.37Å; V64-F108 HydrophobicContact CG1-CZ 4.18Å; L104-F108 HydrophobicContact CD1-CD1 4.27Å; L104-F108 HydrophobicContact CD1-CE1 4.41Å; L104-F108 HydrophobicContact CD1-CG 4.48Å; L104-F108 HydrophobicContact CD2-CE1 3.86Å; L104-F108 HydrophobicContact CD2-CE2 4.49Å; L104-F108 HydrophobicContact CD2-CZ 3.85Å; F108-V112 HydrophobicContact CB-CG2 3.74Å; F108-V112 HydrophobicContact CD2-CG1 4.25Å; F108-V112 HydrophobicContact CD2-CG2 4.43Å; F108-G273 CarbonylContact O-C 3.53Å; F108-G273 VanDerWaalsContact O-CA 3.32Å; F108-G273 WeakPolarHBondContact O-CA 3.35Å; F108-L274 HydrophobicContact CB-CB 4.23Å; F108-L274 PolarHBondContact N-O 2.73Å; F108-L274 PolarHBondContact O-N 3.2Å; F108-L300 HydrophobicContact CE2-CB 4.27Å; F108-T302 HydrophobicContact CB-CG2 3.9Å; F108-T302 HydrophobicContact CD2-CG2 4.22Å; F108-T302 HydrophobicContact CG-CG2 4.32Å
109	K	95.2	Very high	97.3	Very high	139 Å²	139	53.8 Å²	53.8	60%	0.604	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.5	-178.3	-63.6	-176.9	179.5	-179.4	0	112	E107 T302	E107-K109 HydrophobicContact CG-CG 4.14Å; E107-K109 WeakPolarHBondContact OE1-CE 3.33Å; E107-K109 IonicContact OE1-NZ 3Å; E107-K109 PolarHBondContact OE1-NZ 2.94Å; K109-T302 WeakPolarHBondContact O-CG2 3.28Å
110	G	94.5	Very high	97.3	Very high	36 Å²	36	52.6 Å²	52.6	37%	0.371	25%	0.252	S	S	.	.	S	Bend	trans	77	-162.9	176.8	0	0	0	0	0	112.3	V112 H266 N272	G110-V112 PolarHBondContact O-N 2.68Å; G110-H266 PolarHBondContact O-CE1 2.82Å; G110-H266 PolarHBondContact O-NE2 2.94Å; G110-N272 PolarHBondContact N-O 2.84Å; G110-N272 VanDerWaalsContact N-O 3.13Å
111	Q	96.6	Very high	97.4	Very high	69 Å²	69	52.8 Å²	52.8	32%	0.322	25%	0.251	S	S	.	.			trans	-64.8	121.9	-173.7	-175.8	60.5	58.5	0	0	110.9	Y113 I264	Q111-Y113 HydrophobicContact CB-CE2 4.03Å; Q111-Y113 HydrophobicContact CG-CD2 4.28Å; Q111-Y113 HydrophobicContact CG-CE1 4.2Å; Q111-Y113 HydrophobicContact CG-CE2 3.63Å; Q111-Y113 WeakPolarHBondContact O-CE2 3.29Å; Q111-I264 PolarHBondContact NE2-O 3.5Å
112	V	97.8	Very high	97.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	C	.	.			trans	-102.6	137.4	174.2	-175.3	0	0	0	0	110	F108 G110 I264 L274 L300 T302	F108-V112 HydrophobicContact CB-CG2 3.74Å; F108-V112 HydrophobicContact CD2-CG1 4.25Å; F108-V112 HydrophobicContact CD2-CG2 4.43Å; G110-V112 PolarHBondContact O-N 2.68Å; V112-I264 HydrophobicContact CB-CB 4.07Å; V112-I264 HydrophobicContact CB-CG1 3.63Å; V112-I264 HydrophobicContact CG1-CG1 3.8Å; V112-I264 WeakPolarHBondContact O-CG1 3.43Å; V112-I264 PolarHBondContact O-N 2.81Å; V112-L274 HydrophobicContact CB-CD1 4.39Å; V112-L274 HydrophobicContact CB-CG 4.36Å; V112-L274 HydrophobicContact CG1-CD1 3.8Å; V112-L274 HydrophobicContact CG1-CG 4.3Å; V112-L274 HydrophobicContact CG2-CD1 4.42Å; V112-L274 HydrophobicContact CG2-CG 4.08Å; V112-L300 HydrophobicContact CG1-CB 4.34Å; V112-L300 HydrophobicContact CG1-CD2 4.37Å; V112-T302 HydrophobicContact CG2-CG2 4.11Å
113	Y	98.2	Very high	97.4	Very high	52 Å²	52	51.7 Å²	51.7	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.7	-178.2	-60.2	-98.8	0	0	0	109.2	Q111 Y115 L260 L263 L300 S301 M303	Q111-Y113 HydrophobicContact CB-CE2 4.03Å; Q111-Y113 HydrophobicContact CG-CD2 4.28Å; Q111-Y113 HydrophobicContact CG-CE1 4.2Å; Q111-Y113 HydrophobicContact CG-CE2 3.63Å; Q111-Y113 WeakPolarHBondContact O-CE2 3.29Å; Y113-Y115 VanDerWaalsContact CB-OH 3.3Å; Y113-Y115 WeakPolarHBondContact CB-OH 3.32Å; Y113-Y115 HydrophobicContact CG-CE2 4.31Å; Y113-L260 HydrophobicContact CD1-CD1 3.91Å; Y113-L260 HydrophobicContact CD1-CD2 4.26Å; Y113-L260 HydrophobicContact CG-CD1 4.4Å; Y113-L263 HydrophobicContact CD1-CD2 3.23Å; Y113-L263 HydrophobicContact CE1-CD2 3.45Å; Y113-L263 VanDerWaalsContact CE1-CD2 3.45Å; Y113-L263 HydrophobicContact CG-CD2 4.23Å; Y113-L300 WeakPolarHBondContact O-CA 3.24Å; Y113-S301 PolarHBondContact N-O 2.92Å; Y113-S301 PolarHBondContact O-N 3.23Å; Y113-M303 HydrophobicContact CD1-SD 4.28Å; Y113-M303 HydrophobicContact CD2-CB 4.41Å; Y113-M303 HydrophobicContact CD2-CG 3.73Å; Y113-M303 HydrophobicContact CD2-SD 3.94Å; Y113-M303 HydrophobicContact CE1-SD 3.84Å; Y113-M303 HydrophobicContact CE2-CB 3.8Å; Y113-M303 HydrophobicContact CE2-CG 3.47Å; Y113-M303 VanDerWaalsContact CE2-CG 3.47Å; Y113-M303 HydrophobicContact CE2-SD 3.46Å; Y113-M303 WeakPolarHBondContact CE2-SD 3.36Å; Y113-M303 HydrophobicContact CG-SD 4.34Å
114	F	98.5	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.6	173.9	-168.5	-57.1	0	0	0	108.8	F175 L177 M195 Y261 R262 I298 L300	F114-F175 HydrophobicContact CE1-CB 4.15Å; F114-F175 HydrophobicContact CE1-CD1 4.43Å; F114-F175 AromaticContact CE1-CD2 3.82Å; F114-F175 HydrophobicContact CE1-CD2 3.82Å; F114-F175 HydrophobicContact CE1-CE2 4.33Å; F114-F175 AromaticContact CE1-CG 3.88Å; F114-F175 HydrophobicContact CE1-CG 3.88Å; F114-F175 HydrophobicContact CE2-CB 4.24Å; F114-F175 HydrophobicContact CZ-CB 3.59Å; F114-F175 HydrophobicContact CZ-CD1 4.07Å; F114-F175 HydrophobicContact CZ-CD2 4.09Å; F114-F175 AromaticContact CZ-CG 3.65Å; F114-F175 HydrophobicContact CZ-CG 3.65Å; F114-L177 HydrophobicContact CD2-CD2 4.48Å; F114-L177 HydrophobicContact CE2-CB 4.39Å; F114-M195 HydrophobicContact CB-SD 4.46Å; F114-M195 HydrophobicContact CD2-SD 3.65Å; F114-M195 HydrophobicContact CE2-SD 4.27Å; F114-M195 HydrophobicContact CG-SD 4.34Å; F114-Y261 AromaticContact CD1-CD1 3.72Å; F114-Y261 HydrophobicContact CD1-CD1 3.72Å; F114-Y261 HydrophobicContact CD1-CG 4.24Å; F114-Y261 AromaticContact CE1-CD1 3.89Å; F114-Y261 HydrophobicContact CE1-CD1 3.89Å; F114-Y261 HydrophobicContact CG-CD1 4.31Å; F114-Y261 WeakPolarHBondContact O-CA 3.46Å; F114-Y261 VanDerWaalsContact O-CB 3.31Å; F114-Y261 WeakPolarHBondContact O-CB 3.48Å; F114-Y261 PolarHBondContact O-N 3.09Å; F114-R262 HydrophobicContact CB-CB 4.15Å; F114-R262 PolarHBondContact N-O 3.02Å; F114-R262 PolarHBondContact O-N 2.89Å; F114-R262 VanDerWaalsContact O-N 3.11Å; F114-I298 HydrophobicContact CD1-CG2 4.42Å; F114-I298 HydrophobicContact CE1-CB 4.44Å; F114-I298 HydrophobicContact CE1-CG1 4.18Å; F114-I298 HydrophobicContact CE1-CG2 3.68Å; F114-I298 HydrophobicContact CE2-CG2 3.9Å; F114-I298 HydrophobicContact CZ-CB 4.29Å; F114-I298 HydrophobicContact CZ-CD1 4.45Å; F114-I298 HydrophobicContact CZ-CG1 3.96Å; F114-I298 HydrophobicContact CZ-CG2 3.37Å; F114-L300 HydrophobicContact CB-CD2 3.85Å; F114-L300 HydrophobicContact CD2-CD2 3.5Å; F114-L300 HydrophobicContact CE2-CD2 4.29Å; F114-L300 HydrophobicContact CG-CD2 3.86Å
115	Y	98.6	Very high	97.4	Very high	22 Å²	22	54.9 Å²	54.9	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.2	172.5	-51.5	-96.5	0	0	0	110.9	Y113 R258 K259 L260 I299 M303	Y113-Y115 VanDerWaalsContact CB-OH 3.3Å; Y113-Y115 WeakPolarHBondContact CB-OH 3.32Å; Y113-Y115 HydrophobicContact CG-CE2 4.31Å; Y115-R258 HydrophobicContact CD1-CG 4.35Å; Y115-K259 WeakPolarHBondContact CA-O 3.35Å; Y115-K259 WeakPolarHBondContact CB-O 3.45Å; Y115-L260 VanDerWaalsContact CD1-CA 3.47Å; Y115-L260 HydrophobicContact CD1-CB 3.99Å; Y115-L260 HydrophobicContact CD1-CD1 4.07Å; Y115-L260 HydrophobicContact CE1-CB 3.78Å; Y115-L260 HydrophobicContact CE1-CD1 3.67Å; Y115-L260 HydrophobicContact CE1-CG 4.26Å; Y115-L260 HydrophobicContact CE2-CD1 4.47Å; Y115-I299 PolarHBondContact N-O 3.28Å; Y115-I299 PolarHBondContact O-N 3.09Å; Y115-M303 WeakPolarHBondContact OH-CE 3.41Å
116	Y	98.6	Very high	97.5	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.9	153.7	61.2	-94.8	0	0	0	109.2	L118 F171 W248 R258 K259 Y261 R297	Y116-L118 HydrophobicContact CD2-CG 4.42Å; Y116-F171 AromaticContact CD1-CD1 3.87Å; Y116-F171 HydrophobicContact CD1-CD1 3.87Å; Y116-F171 AromaticContact CD1-CE1 3.87Å; Y116-F171 HydrophobicContact CD1-CE1 3.87Å; Y116-F171 HydrophobicContact CD2-CD1 4.1Å; Y116-F171 HydrophobicContact CD2-CD2 4.17Å; Y116-F171 HydrophobicContact CD2-CE1 4.2Å; Y116-F171 HydrophobicContact CD2-CE2 4.26Å; Y116-F171 HydrophobicContact CD2-CG 4.08Å; Y116-F171 HydrophobicContact CD2-CZ 4.25Å; Y116-F171 AromaticContact CE1-CD1 3.82Å; Y116-F171 HydrophobicContact CE1-CD1 3.82Å; Y116-F171 HydrophobicContact CE1-CE1 4.29Å; Y116-F171 HydrophobicContact CE1-CG 4.37Å; Y116-F171 HydrophobicContact CE2-CB 4.05Å; Y116-F171 HydrophobicContact CE2-CD1 4.01Å; Y116-F171 HydrophobicContact CE2-CD2 4.18Å; Y116-F171 AromaticContact CE2-CG 3.79Å; Y116-F171 HydrophobicContact CE2-CG 3.79Å; Y116-F171 HydrophobicContact CG-CD1 4.04Å; Y116-F171 AromaticContact CG-CE1 3.84Å; Y116-F171 HydrophobicContact CG-CE1 3.84Å; Y116-F171 HydrophobicContact CG-CG 4.47Å; Y116-F171 HydrophobicContact CG-CZ 4.1Å; Y116-F171 AromaticContact CZ-CD1 3.88Å; Y116-F171 AromaticContact CZ-CG 3.96Å; Y116-W248 HydrophobicContact CE2-CE3 4.35Å; Y116-W248 HydrophobicContact CE2-CZ3 4.17Å; Y116-R258 CarbonylContact O-C 3.55Å; Y116-R258 VanDerWaalsContact O-CA 3.24Å; Y116-R258 WeakPolarHBondContact O-CA 3.3Å; Y116-K259 HydrophobicContact CD2-CB 4.29Å; Y116-K259 HydrophobicContact CE1-CB 3.96Å; Y116-K259 HydrophobicContact CE2-CB 3.59Å; Y116-K259 HydrophobicContact CE2-CD 3.91Å; Y116-K259 HydrophobicContact CE2-CG 4.24Å; Y116-K259 PolarHBondContact N-O 2.76Å; Y116-K259 VanDerWaalsContact N-O 3.1Å; Y116-K259 PolarHBondContact O-N 3.36Å; Y116-K259 WeakPolarHBondContact OH-CB 3.5Å; Y116-K259 WeakPolarHBondContact OH-CD 3.46Å; Y116-Y261 HydrophobicContact CD1-CD2 4.16Å; Y116-Y261 HydrophobicContact CD1-CG 4.33Å; Y116-Y261 HydrophobicContact CE1-CD2 4.32Å; Y116-R297 CarbonylContact C-O 3.59Å; Y116-R297 WeakPolarHBondContact CA-O 3.4Å
117	G	98.5	Very high	97.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.9	173.8	0	0	0	0	0	111.1	F257 K296 R297	G117-F257 VanDerWaalsContact CA-O 3.23Å; G117-F257 WeakPolarHBondContact CA-O 3.29Å; G117-K296 WeakPolarHBondContact O-CA 3.27Å; G117-R297 PolarHBondContact N-O 3.3Å; G117-R297 PolarHBondContact O-N 2.99Å
118	L	98.7	Very high	97.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.8	172.5	-61.2	-178.8	0	0	0	109	Y116 F121 F171 W248 T256 F257 Y287 V289 T295 K296 R297	Y116-L118 HydrophobicContact CD2-CG 4.42Å; L118-F121 HydrophobicContact CB-CB 4.35Å; L118-F121 HydrophobicContact CD1-CD2 4.38Å; L118-F121 HydrophobicContact CD1-CG 4.49Å; L118-F171 HydrophobicContact CD1-CD2 4.21Å; L118-F171 HydrophobicContact CD2-CD2 4.27Å; L118-F171 HydrophobicContact CD2-CE2 4.02Å; L118-W248 HydrophobicContact CD1-CH2 3.99Å; L118-W248 HydrophobicContact CD1-CZ3 3.98Å; L118-T256 WeakPolarHBondContact O-CA 3.24Å; L118-F257 HydrophobicContact CB-CE1 4.29Å; L118-F257 HydrophobicContact CB-CE2 4.16Å; L118-F257 HydrophobicContact CB-CZ 3.95Å; L118-F257 HydrophobicContact CD1-CE2 4.09Å; L118-F257 HydrophobicContact CD1-CZ 3.81Å; L118-F257 HydrophobicContact CG-CE2 4.32Å; L118-F257 HydrophobicContact CG-CZ 4.3Å; L118-F257 PolarHBondContact N-O 2.93Å; L118-F257 VanDerWaalsContact N-O 3.07Å; L118-F257 PolarHBondContact O-N 2.85Å; L118-Y287 HydrophobicContact CD1-CE1 4Å; L118-V289 HydrophobicContact CD2-CG1 4.12Å; L118-T295 WeakPolarHBondContact CA-O 3.17Å; L118-K296 HydrophobicContact CD2-CB 4.42Å; L118-K296 HydrophobicContact CD2-CD 4.23Å; L118-K296 HydrophobicContact CD2-CG 3.76Å; L118-R297 PolarHBondContact O-NH2 3.28Å
119	S	98.5	Very high	97.6	Very high	15 Å²	15	56.3 Å²	56.3	11%	0.105	26%	0.257	C	S	.	.	S	Bend	trans	-122.2	159	169.6	75.3	0	0	0	0	110.6	F121 P255 G294 T295	S119-F121 PolarHBondContact O-N 3.05Å; S119-F121 VanDerWaalsContact O-N 3.11Å; S119-P255 CarbonylContact C-O 3.6Å; S119-G294 VanDerWaalsContact O-CA 3.22Å; S119-G294 WeakPolarHBondContact O-CA 3.43Å; S119-T295 PolarHBondContact N-O 2.9Å; S119-T295 VanDerWaalsContact N-O 3.09Å; S119-T295 WeakPolarHBondContact OG-CB 3.4Å; S119-T295 PolarHBondContact OG-N 3.08Å; S119-T295 PolarHBondContact OG-OG1 3.24Å
120	N	98.1	Very high	97.7	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	25%	0.249	S	C	.	.	S	Bend	trans	53.3	29.1	-178.8	-146.1	28.4	0	0	0	114.5	F122 P255 F292	N120-F122 VanDerWaalsContact OD1-CE2 3.22Å; N120-F122 WeakPolarHBondContact OD1-CE2 3.31Å; N120-F122 WeakPolarHBondContact OD1-CZ 3.46Å; N120-P255 PolarHBondContact N-O 3.15Å; N120-F292 PolarHBondContact ND2-O 2.96Å
121	F	98	Very high	97.9	Very high	24 Å²	24	52.1 Å²	52.1	11%	0.105	23%	0.233	C	C	.	.			trans	-112	102.7	179.1	-167.4	-69.6	0	0	0	109.9	L118 S119 Q123 Y128 W248 P255 F257 Y287 F292	L118-F121 HydrophobicContact CB-CB 4.35Å; L118-F121 HydrophobicContact CD1-CD2 4.38Å; L118-F121 HydrophobicContact CD1-CG 4.49Å; S119-F121 PolarHBondContact O-N 3.05Å; S119-F121 VanDerWaalsContact O-N 3.11Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 HydrophobicContact CD1-CB 4.49Å; F121-Q123 HydrophobicContact CD1-CG 3.46Å; F121-Q123 VanDerWaalsContact CD1-CG 3.46Å; F121-Q123 HydrophobicContact CE1-CG 3.53Å; F121-Q123 PolarHBondContact O-N 2.92Å; F121-Y128 HydrophobicContact CE1-CE2 4.11Å; F121-Y128 AromaticContact CE1-CZ 3.84Å; F121-Y128 HydrophobicContact CZ-CE2 4.25Å; F121-W248 HydrophobicContact CE1-CH2 4.2Å; F121-W248 HydrophobicContact CE1-CZ2 4.2Å; F121-W248 HydrophobicContact CE2-CH2 4.49Å; F121-W248 HydrophobicContact CZ-CH2 4.05Å; F121-W248 AromaticContact CZ-CZ2 3.97Å; F121-W248 HydrophobicContact CZ-CZ2 3.97Å; F121-P255 PolarHBondContact N-O 3.29Å; F121-P255 WeakPolarHBondContact O-CA 3.49Å; F121-F257 HydrophobicContact CB-CE1 3.85Å; F121-F257 HydrophobicContact CB-CZ 4.32Å; F121-F257 AromaticContact CD1-CE1 3.94Å; F121-F257 HydrophobicContact CD1-CE1 3.94Å; F121-F257 HydrophobicContact CD1-CZ 4.06Å; F121-F257 HydrophobicContact CG-CE1 4.19Å; F121-F257 HydrophobicContact CG-CZ 4.31Å; F121-F257 WeakPolarHBondContact O-CE1 3.42Å; F121-Y287 HydrophobicContact CD2-CE1 4.48Å; F121-Y287 HydrophobicContact CE2-CE1 4.14Å; F121-Y287 WeakPolarHBondContact CE2-OH 2.78Å; F121-Y287 WeakPolarHBondContact CZ-OH 3.48Å; F121-F292 HydrophobicContact CB-CE2 4.5Å; F121-F292 HydrophobicContact CD2-CE1 4.49Å; F121-F292 HydrophobicContact CD2-CE2 4.09Å; F121-F292 AromaticContact CD2-CZ 3.69Å; F121-F292 HydrophobicContact CD2-CZ 3.69Å; F121-F292 HydrophobicContact CE2-CZ 4.25Å
122	F	97.6	Very high	97.9	Very high	107 Å²	107	51 Å²	51	47%	0.469	23%	0.226	S	C	.	.			trans	-82.4	68	-171.3	-63.9	-92.8	0	0	0	113	N120 N124 H125 P255	N120-F122 VanDerWaalsContact OD1-CE2 3.22Å; N120-F122 WeakPolarHBondContact OD1-CE2 3.31Å; N120-F122 WeakPolarHBondContact OD1-CZ 3.46Å; F122-N124 PolarHBondContact O-N 3.17Å; F122-H125 HydrophobicContact CB-CB 4.27Å; F122-H125 WeakPolarHBondContact O-CB 3.43Å; F122-H125 PolarHBondContact O-N 2.82Å; F122-P255 HydrophobicContact CD1-CB 3.75Å; F122-P255 HydrophobicContact CD1-CG 4.37Å; F122-P255 HydrophobicContact CD2-CB 4.48Å; F122-P255 HydrophobicContact CE1-CB 3.66Å; F122-P255 HydrophobicContact CE1-CG 3.97Å; F122-P255 HydrophobicContact CE2-CB 4.4Å; F122-P255 HydrophobicContact CG-CB 4.17Å; F122-P255 HydrophobicContact CZ-CB 4Å; F122-P255 HydrophobicContact CZ-CG 4.47Å
123	Q	98	Very high	97.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.1	173.6	-68.5	-157.6	-25.9	0	0	112	F121 H125 Y128 V129 W248 V251 F257	F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 HydrophobicContact CD1-CB 4.49Å; F121-Q123 HydrophobicContact CD1-CG 3.46Å; F121-Q123 VanDerWaalsContact CD1-CG 3.46Å; F121-Q123 HydrophobicContact CE1-CG 3.53Å; F121-Q123 PolarHBondContact O-N 2.92Å; Q123-H125 PolarHBondContact O-N 3.37Å; Q123-Y128 HydrophobicContact CB-CD1 4.3Å; Q123-Y128 HydrophobicContact CB-CE1 3.96Å; Q123-Y128 HydrophobicContact CG-CE1 3.93Å; Q123-Y128 WeakPolarHBondContact O-CD1 3.43Å; Q123-V129 WeakPolarHBondContact O-CG2 3.39Å; Q123-W248 VanDerWaalsContact NE2-CH2 3.34Å; Q123-V251 HydrophobicContact CB-CG1 3.95Å; Q123-V251 WeakPolarHBondContact O-CG1 3.47Å; Q123-F257 HydrophobicContact CG-CE1 3.75Å; Q123-F257 HydrophobicContact CG-CZ 3.87Å
124	N	97.5	Very high	97.8	Very high	67 Å²	67	52 Å²	52	36%	0.358	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.4	179.4	66	-10	0	0	0	114.4	F122 R126 A253	F122-N124 PolarHBondContact O-N 3.17Å; N124-R126 PolarHBondContact O-N 3.22Å; N124-A253 PolarHBondContact ND2-O 3.32Å
125	H	97.7	Very high	97.8	Very high	108 Å²	108	58.8 Å²	58.8	50%	0.5	26%	0.262	S	S	.	.			trans	-62.9	128.6	177.5	-177.2	-95.4	0	0	0	110.6	F122 Q123 R127 Y128 V129	F122-H125 HydrophobicContact CB-CB 4.27Å; F122-H125 WeakPolarHBondContact O-CB 3.43Å; F122-H125 PolarHBondContact O-N 2.82Å; Q123-H125 PolarHBondContact O-N 3.37Å; H125-R127 VanDerWaalsContact C-N 3.29Å; H125-R127 PolarHBondContact ND1-N 3.16Å; H125-R127 PolarHBondContact O-N 3.13Å; H125-Y128 WeakPolarHBondContact O-CA 3.37Å; H125-Y128 WeakPolarHBondContact O-CB 3.33Å; H125-Y128 PolarHBondContact O-N 2.93Å; H125-V129 WeakPolarHBondContact O-CG2 3.41Å; H125-V129 PolarHBondContact O-N 2.88Å
126	R	96.8	Very high	97.7	Very high	193 Å²	193	58.3 Å²	58.3	73%	0.728	26%	0.261	S	S	*	.	H	α-helix	trans	-47	-46.9	-171.9	180	178	175.2	-98.1	-1.3	113.8	N124 Y128 I130	N124-R126 PolarHBondContact O-N 3.22Å; R126-Y128 VanDerWaalsContact C-N 3.34Å; R126-I130 WeakPolarHBondContact O-CG1 3.5Å; R126-I130 PolarHBondContact O-N 3.42Å
127	R	96.8	Very high	97.6	Very high	193 Å²	193	58 Å²	58	73%	0.728	26%	0.26	S	S	*	.	H	α-helix	trans	-67.9	-32.2	179.4	-69.1	-172.3	177.5	-177	-0.9	113	H125 S131	H125-R127 VanDerWaalsContact C-N 3.29Å; H125-R127 PolarHBondContact ND1-N 3.16Å; H125-R127 PolarHBondContact O-N 3.13Å; R127-S131 VanDerWaalsContact O-CB 3.3Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å
128	Y	97.7	Very high	97.5	Very high	31 Å²	31	63.2 Å²	63.2	12%	0.122	28%	0.284	C	S	.	.	H	α-helix	trans	-72.5	-47.4	178.1	-174.7	-84.9	0	0	0	110.5	F121 Q123 H125 R126 I130 S131 A165 I166 S169 W248	F121-Y128 HydrophobicContact CE1-CE2 4.11Å; F121-Y128 AromaticContact CE1-CZ 3.84Å; F121-Y128 HydrophobicContact CZ-CE2 4.25Å; Q123-Y128 HydrophobicContact CB-CD1 4.3Å; Q123-Y128 HydrophobicContact CB-CE1 3.96Å; Q123-Y128 HydrophobicContact CG-CE1 3.93Å; Q123-Y128 WeakPolarHBondContact O-CD1 3.43Å; H125-Y128 WeakPolarHBondContact O-CA 3.37Å; H125-Y128 WeakPolarHBondContact O-CB 3.33Å; H125-Y128 PolarHBondContact O-N 2.93Å; R126-Y128 VanDerWaalsContact C-N 3.34Å; Y128-I130 VanDerWaalsContact C-N 3.31Å; Y128-I130 PolarHBondContact O-N 3.46Å; Y128-S131 PolarHBondContact O-N 2.89Å; Y128-A165 HydrophobicContact CD2-CB 4.04Å; Y128-A165 HydrophobicContact CE2-CB 4.36Å; Y128-I166 HydrophobicContact CD1-CG1 3.9Å; Y128-I166 HydrophobicContact CE1-CB 4.22Å; Y128-I166 HydrophobicContact CE1-CD1 4.5Å; Y128-I166 HydrophobicContact CE1-CG1 3.67Å; Y128-I166 HydrophobicContact CE1-CG2 4.19Å; Y128-I166 WeakPolarHBondContact O-CD1 3.49Å; Y128-I166 VanDerWaalsContact O-CG1 3.24Å; Y128-I166 WeakPolarHBondContact O-CG1 3.47Å; Y128-S169 WeakPolarHBondContact CE2-OG 3.08Å; Y128-S169 PolarHBondContact OH-OG 2.76Å; Y128-W248 WeakPolarHBondContact OH-CZ2 3.41Å
129	V	97.6	Very high	97.3	Very high	51 Å²	51	63.8 Å²	63.8	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-40.2	-178.1	179.8	0	0	0	0	113.1	Q123 H125 S131 V251	Q123-V129 WeakPolarHBondContact O-CG2 3.39Å; H125-V129 WeakPolarHBondContact O-CG2 3.41Å; H125-V129 PolarHBondContact O-N 2.88Å; V129-S131 VanDerWaalsContact C-N 3.34Å; V129-V251 HydrophobicContact CG2-CG1 3.95Å
130	I	97.2	Very high	97.1	Very high	83 Å²	83	64.9 Å²	64.9	43%	0.426	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.4	-178.9	68.8	179.4	0	0	0	113.2	R126 Y128 K132 S147	R126-I130 WeakPolarHBondContact O-CG1 3.5Å; R126-I130 PolarHBondContact O-N 3.42Å; Y128-I130 VanDerWaalsContact C-N 3.31Å; Y128-I130 PolarHBondContact O-N 3.46Å; I130-K132 VanDerWaalsContact C-N 3.25Å; I130-K132 PolarHBondContact O-N 3.13Å; I130-S147 VanDerWaalsContact O-CB 3.23Å; I130-S147 WeakPolarHBondContact O-CB 3.18Å; I130-S147 PolarHBondContact O-OG 3.32Å
131	S	98.1	Very high	96.9	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.028	31%	0.308	C	S	.	.			trans	-84.2	71.3	-173.2	-165.4	0	0	0	0	111.5	R127 Y128 V129 S147 G164 A165 I166	R127-S131 VanDerWaalsContact O-CB 3.3Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; Y128-S131 PolarHBondContact O-N 2.89Å; V129-S131 VanDerWaalsContact C-N 3.34Å; S131-S147 VanDerWaalsContact CA-O 3.28Å; S131-S147 WeakPolarHBondContact CA-O 3.29Å; S131-S147 PolarHBondContact OG-O 3.4Å; S131-G164 CarbonylContact O-C 3.25Å; S131-G164 VanDerWaalsContact O-CA 3.24Å; S131-G164 WeakPolarHBondContact O-CA 3.49Å; S131-G164 WeakPolarHBondContact OG-CA 3.24Å; S131-A165 PolarHBondContact O-N 3.11Å; S131-A165 VanDerWaalsContact O-N 3.12Å; S131-A165 PolarHBondContact OG-N 2.79Å; S131-I166 PolarHBondContact O-N 3.09Å
132	K	97.3	Very high	96.6	Very high	44 Å²	44	72.1 Å²	72.1	19%	0.191	34%	0.336	C	S	.	.	S	Bend	trans	-161.3	165.1	173.5	56.2	164.3	-176.6	156.1	0	109.2	I130 D134 L137 S147 I166 M249	I130-K132 VanDerWaalsContact C-N 3.25Å; I130-K132 PolarHBondContact O-N 3.13Å; K132-D134 WeakPolarHBondContact CE-OD1 3.3Å; K132-D134 IonicContact NZ-OD1 3.14Å; K132-D134 PolarHBondContact NZ-OD1 3.46Å; K132-D134 IonicContact NZ-OD2 2.72Å; K132-D134 PolarHBondContact NZ-OD2 3.43Å; K132-L137 HydrophobicContact CB-CD1 4.4Å; K132-S147 PolarHBondContact O-OG 2.87Å; K132-I166 HydrophobicContact CB-CD1 4.2Å; K132-I166 HydrophobicContact CD-CD1 4.02Å; K132-I166 HydrophobicContact CG-CD1 4.02Å; K132-M249 HydrophobicContact CB-CE 3.99Å; K132-M249 HydrophobicContact CD-CE 4.27Å
133	D	97.6	Very high	96.5	Very high	7 Å²	7	71.7 Å²	71.7	4%	0.037	34%	0.342	C	S	.	.			trans	-124.1	109.6	167	-167.4	-14.9	0	0	0	111.2	Y135 Q136 L137 P144 K145	D133-Y135 VanDerWaalsContact C-N 3.28Å; D133-Y135 PolarHBondContact O-N 2.88Å; D133-Y135 PolarHBondContact OD1-N 3Å; D133-Q136 HydrophobicContact CB-CB 3.91Å; D133-Q136 PolarHBondContact O-N 3.03Å; D133-L137 WeakPolarHBondContact O-CD1 3.45Å; D133-L137 VanDerWaalsContact O-CG 3.3Å; D133-L137 WeakPolarHBondContact O-CG 2.91Å; D133-L137 PolarHBondContact O-N 2.92Å; D133-P144 HydrophobicContact CB-CB 4.18Å; D133-P144 WeakPolarHBondContact OD2-CA 3.28Å; D133-K145 PolarHBondContact OD2-N 2.86Å
134	D	96.9	Very high	96.3	Very high	67 Å²	67	71.8 Å²	71.8	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-30.4	179	-65.3	-54.3	0	0	0	112.5	K132 L137 H138	K132-D134 WeakPolarHBondContact CE-OD1 3.3Å; K132-D134 IonicContact NZ-OD1 3.14Å; K132-D134 PolarHBondContact NZ-OD1 3.46Å; K132-D134 IonicContact NZ-OD2 2.72Å; K132-D134 PolarHBondContact NZ-OD2 3.43Å; D134-L137 PolarHBondContact O-N 2.9Å; D134-H138 VanDerWaalsContact O-CB 3.29Å; D134-H138 WeakPolarHBondContact O-CB 3.49Å; D134-H138 PolarHBondContact O-N 3.3Å
135	Y	96.9	Very high	96.3	Very high	143 Å²	143	72.7 Å²	72.7	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-70.6	-41.4	177	-66.8	-62.4	0	0	0	111.3	D133 L137 H138 G139 S140	D133-Y135 VanDerWaalsContact C-N 3.28Å; D133-Y135 PolarHBondContact O-N 2.88Å; D133-Y135 PolarHBondContact OD1-N 3Å; Y135-L137 VanDerWaalsContact C-N 3.35Å; Y135-H138 PolarHBondContact O-N 3.15Å; Y135-G139 PolarHBondContact O-N 2.96Å; Y135-G139 VanDerWaalsContact O-N 3.1Å; Y135-S140 WeakPolarHBondContact O-CB 2.98Å; Y135-S140 PolarHBondContact O-N 3.18Å
136	Q	96.6	Very high	96.2	Very high	11 Å²	11	70.7 Å²	70.7	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-45	174.3	-171.3	-167.8	39.4	0	0	111.1	D133 H138 G139 Y160 C163	D133-Q136 HydrophobicContact CB-CB 3.91Å; D133-Q136 PolarHBondContact O-N 3.03Å; Q136-H138 PolarHBondContact O-N 2.85Å; Q136-G139 PolarHBondContact O-N 3.16Å; Q136-Y160 PolarHBondContact NE2-O 3.13Å; Q136-C163 PolarHBondContact OE1-SG 3.18Å; Q136-C163 VanDerWaalsContact OE1-SG 3.35Å
137	L	97.1	Very high	96.2	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-26.3	177.9	-70.7	163.2	0	0	0	112.9	K132 D133 D134 Y135 P162 F210 G211 Y239 M249	K132-L137 HydrophobicContact CB-CD1 4.4Å; D133-L137 WeakPolarHBondContact O-CD1 3.45Å; D133-L137 VanDerWaalsContact O-CG 3.3Å; D133-L137 WeakPolarHBondContact O-CG 2.91Å; D133-L137 PolarHBondContact O-N 2.92Å; D134-L137 PolarHBondContact O-N 2.9Å; Y135-L137 VanDerWaalsContact C-N 3.35Å; L137-P162 HydrophobicContact CD2-CB 3.65Å; L137-P162 HydrophobicContact CD2-CG 4.16Å; L137-F210 HydrophobicContact CB-CD1 3.82Å; L137-F210 HydrophobicContact CB-CE1 3.99Å; L137-F210 HydrophobicContact CD1-CE1 3.97Å; L137-F210 HydrophobicContact CD2-CD1 4.13Å; L137-F210 HydrophobicContact CD2-CE1 3.99Å; L137-F210 HydrophobicContact CG-CD1 4.4Å; L137-F210 HydrophobicContact CG-CE1 4.2Å; L137-F210 WeakPolarHBondContact O-CA 3.4Å; L137-G211 PolarHBondContact O-N 2.98Å; L137-Y239 HydrophobicContact CD2-CD2 4.49Å; L137-Y239 HydrophobicContact CD2-CG 4.44Å; L137-Y239 WeakPolarHBondContact O-CD2 3.34Å; L137-M249 HydrophobicContact CD1-CE 3.6Å; L137-M249 HydrophobicContact CD2-CE 4.4Å
138	H	96.6	Very high	96.3	Very high	109 Å²	109	54.3 Å²	54.3	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-79.6	-18.7	172.8	-168.7	69.4	0	0	0	113.1	D134 Y135 Q136 E208 K209 G211	D134-H138 VanDerWaalsContact O-CB 3.29Å; D134-H138 WeakPolarHBondContact O-CB 3.49Å; D134-H138 PolarHBondContact O-N 3.3Å; Y135-H138 PolarHBondContact O-N 3.15Å; Q136-H138 PolarHBondContact O-N 2.85Å; H138-E208 PolarHBondContact CE1-O 3.25Å; H138-E208 PolarHBondContact ND1-O 3.13Å; H138-K209 PolarHBondContact ND1-O 3.41Å; H138-G211 WeakPolarHBondContact O-CA 3.39Å
139	G	94.9	Very high	96.2	Very high	14 Å²	14	57.2 Å²	57.2	14%	0.144	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	120.5	3.5	178.2	0	0	0	0	0	115.6	Y135 Q136	Y135-G139 PolarHBondContact O-N 2.96Å; Y135-G139 VanDerWaalsContact O-N 3.1Å; Q136-G139 PolarHBondContact O-N 3.16Å
140	S	94.9	Very high	96.2	Very high	37 Å²	37	59 Å²	59	26%	0.259	32%	0.318	S	S	.	.			trans	-64.5	143.4	174.7	-175.8	0	0	0	0	111.6	Y135 E142	Y135-S140 WeakPolarHBondContact O-CB 2.98Å; Y135-S140 PolarHBondContact O-N 3.18Å; S140-E142 PolarHBondContact OG-N 2.82Å
141	V	92.4	Very high	96.2	Very high	95 Å²	95	59.4 Å²	59.4	58%	0.576	32%	0.315	S	S	*	.			trans	-103.7	5.4	177.8	-59.6	0	0	0	0	112.5	P214 S217	V141-P214 HydrophobicContact CG1-CG 4.11Å; V141-S217 VanDerWaalsContact CG1-CB 3.4Å
142	E	93.3	Very high	96.1	Very high	147 Å²	147	61.5 Å²	61.5	69%	0.687	32%	0.322	S	S	*	.	S	Bend	trans	-66.1	158.3	174.9	-67.2	-178.9	-179.9	0	0	111.5	S140 P144	S140-E142 PolarHBondContact OG-N 2.82Å; E142-P144 WeakPolarHBondContact O-CD 3.21Å
143	T	93.7	Very high	96.1	Very high	99 Å²	99	62.7 Å²	62.7	61%	0.607	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-56.7	122.1	175.1	-51.7	0	0	0	0	109.7	R152 F153	T143-R152 VanDerWaalsContact CG2-NH2 3.31Å; T143-F153 HydrophobicContact CG2-CE1 4.5Å; T143-F153 HydrophobicContact CG2-CZ 3.82Å
144	P	95.4	Very high	96	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.013	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-62	160.2	-173	-23.3	31.3	0	0	0	113.1	D133 E142 R152 V159 C163	D133-P144 HydrophobicContact CB-CB 4.18Å; D133-P144 WeakPolarHBondContact OD2-CA 3.28Å; E142-P144 WeakPolarHBondContact O-CD 3.21Å; P144-R152 HydrophobicContact CB-CG 4.42Å; P144-R152 PolarHBondContact O-NE 2.9Å; P144-R152 PolarHBondContact O-NH2 3.01Å; P144-V159 HydrophobicContact CG-CG1 3.54Å; P144-V159 HydrophobicContact CG-CG2 4.46Å; P144-C163 HydrophobicContact CB-CB 4.42Å; P144-C163 WeakPolarHBondContact CB-SG 3.42Å
145	K	96.2	Very high	95.9	Very high	85 Å²	85	67.1 Å²	67.1	37%	0.37	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-58.3	145.9	179.4	-70.2	176.7	-171.6	175.7	0	112.9	D133 S147 C148	D133-K145 PolarHBondContact OD2-N 2.86Å; K145-S147 WeakPolarHBondContact CB-OG 3.37Å; K145-S147 PolarHBondContact O-N 2.79Å; K145-S147 VanDerWaalsContact O-N 3.09Å; K145-C148 WeakPolarHBondContact O-CB 3.41Å; K145-C148 PolarHBondContact O-N 2.93Å
146	A	97.2	Very high	95.8	Very high	67 Å²	67	64.2 Å²	64.2	55%	0.554	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-61.4	-16.3	173.3	0	0	0	0	0	113.6	C148 E149	A146-C148 PolarHBondContact O-N 2.85Å; A146-E149 WeakPolarHBondContact O-CB 3.48Å; A146-E149 VanDerWaalsContact O-CG 3.26Å; A146-E149 WeakPolarHBondContact O-CG 3.42Å; A146-E149 PolarHBondContact O-N 3.04Å
147	S	96.5	Very high	95.7	Very high	41 Å²	41	66.1 Å²	66.1	29%	0.287	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-65.6	-19.6	172.9	57.1	0	0	0	0	113.2	I130 S131 K132 K145 E149	I130-S147 VanDerWaalsContact O-CB 3.23Å; I130-S147 WeakPolarHBondContact O-CB 3.18Å; I130-S147 PolarHBondContact O-OG 3.32Å; S131-S147 VanDerWaalsContact CA-O 3.28Å; S131-S147 WeakPolarHBondContact CA-O 3.29Å; S131-S147 PolarHBondContact OG-O 3.4Å; K132-S147 PolarHBondContact O-OG 2.87Å; K145-S147 WeakPolarHBondContact CB-OG 3.37Å; K145-S147 PolarHBondContact O-N 2.79Å; K145-S147 VanDerWaalsContact O-N 3.09Å; S147-E149 PolarHBondContact O-N 2.98Å
148	C	97.4	Very high	95.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-70.4	-11.8	173.9	-86.1	0	0	0	0	114	K145 A146 Y151 R152 C163 G164	K145-C148 WeakPolarHBondContact O-CB 3.41Å; K145-C148 PolarHBondContact O-N 2.93Å; A146-C148 PolarHBondContact O-N 2.85Å; C148-Y151 CarbonylContact O-C 3.5Å; C148-Y151 VanDerWaalsContact O-C 3.23Å; C148-Y151 VanDerWaalsContact O-CA 3.31Å; C148-Y151 WeakPolarHBondContact O-CA 3.21Å; C148-Y151 PolarHBondContact O-N 2.79Å; C148-R152 HydrophobicContact CB-CB 3.94Å; C148-R152 HydrophobicContact CB-CG 4.15Å; C148-R152 PolarHBondContact O-N 2.68Å; C148-C163 HydrophobicContact CB-CB 3.66Å; C148-C163 WeakPolarHBondContact CB-SG 3.4Å; C148-C163 WeakPolarHBondContact SG-CB 3.42Å; C148-C163 CovalentContact SG-SG 2.05Å; C148-C163 PolarHBondContact SG-SG 3.35Å; C148-G164 PolarHBondContact SG-N 2.88Å
149	E	96.5	Very high	95.6	Very high	93 Å²	93	66.3 Å²	66.3	44%	0.435	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	140.5	178.9	-65.7	-63.2	169.9	0	0	112.1	A146 S147 R152	A146-E149 WeakPolarHBondContact O-CB 3.48Å; A146-E149 VanDerWaalsContact O-CG 3.26Å; A146-E149 WeakPolarHBondContact O-CG 3.42Å; A146-E149 PolarHBondContact O-N 3.04Å; S147-E149 PolarHBondContact O-N 2.98Å; E149-R152 HydrophobicContact CG-CB 4.5Å; E149-R152 WeakPolarHBondContact OE1-CD 3.31Å; E149-R152 IonicContact OE1-NH1 3.71Å
150	P	96.4	Very high	95.7	Very high	89 Å²	89	66.8 Å²	66.8	58%	0.578	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.2	4.8	3.1	36.5	-37.3	0	0	0	114.3	R152	P150-R152 VanDerWaalsContact C-N 3.29Å; P150-R152 PolarHBondContact O-N 2.78Å
151	Y	97.2	Very high	95.8	Very high	90 Å²	90	65.2 Å²	65.2	35%	0.353	37%	0.37	S	S	.	.	S	Bend	trans	-97	36.9	-173.8	-49.2	-65.5	0	0	0	112.1	C148 C163 G164 A165 M168	C148-Y151 CarbonylContact O-C 3.5Å; C148-Y151 VanDerWaalsContact O-C 3.23Å; C148-Y151 VanDerWaalsContact O-CA 3.31Å; C148-Y151 WeakPolarHBondContact O-CA 3.21Å; C148-Y151 PolarHBondContact O-N 2.79Å; Y151-C163 WeakPolarHBondContact O-CA 3.33Å; Y151-C163 WeakPolarHBondContact O-CB 3.24Å; Y151-G164 PolarHBondContact O-N 3.3Å; Y151-A165 VanDerWaalsContact CD2-CA 3.46Å; Y151-A165 HydrophobicContact CD2-CB 3.71Å; Y151-A165 HydrophobicContact CE2-CB 3.6Å; Y151-M168 HydrophobicContact CD1-CB 4.29Å; Y151-M168 HydrophobicContact CD1-CE 3.75Å; Y151-M168 HydrophobicContact CD1-CG 3.78Å; Y151-M168 HydrophobicContact CD1-SD 4.47Å; Y151-M168 HydrophobicContact CD2-CB 4.45Å; Y151-M168 HydrophobicContact CE1-CG 3.89Å; Y151-M168 HydrophobicContact CG-CB 4.17Å; Y151-M168 HydrophobicContact CG-CE 4.19Å; Y151-M168 HydrophobicContact CG-CG 4.18Å
152	R	97.2	Very high	96.1	Very high	49 Å²	49	60.7 Å²	60.7	19%	0.185	34%	0.343	C	S	.	.	S	Bend	trans	-93.6	-47.4	-179.3	-169.9	-178.2	179.7	-162.9	1.3	111.5	T143 P144 C148 E149 P150 Y160	T143-R152 VanDerWaalsContact CG2-NH2 3.31Å; P144-R152 HydrophobicContact CB-CG 4.42Å; P144-R152 PolarHBondContact O-NE 2.9Å; P144-R152 PolarHBondContact O-NH2 3.01Å; C148-R152 HydrophobicContact CB-CB 3.94Å; C148-R152 HydrophobicContact CB-CG 4.15Å; C148-R152 PolarHBondContact O-N 2.68Å; E149-R152 HydrophobicContact CG-CB 4.5Å; E149-R152 WeakPolarHBondContact OE1-CD 3.31Å; E149-R152 IonicContact OE1-NH1 3.71Å; P150-R152 VanDerWaalsContact C-N 3.29Å; P150-R152 PolarHBondContact O-N 2.78Å; R152-Y160 PolarHBondContact O-N 3.42Å
153	F	97.1	Very high	96.3	Very high	69 Å²	69	53.8 Å²	53.8	30%	0.303	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-126.1	149.2	178.5	-56.2	-78.2	0	0	0	110.4	T143 K158 V159 Y160	T143-F153 HydrophobicContact CG2-CE1 4.5Å; T143-F153 HydrophobicContact CG2-CZ 3.82Å; F153-K158 CarbonylContact C-O 3.52Å; F153-K158 VanDerWaalsContact CA-O 3.23Å; F153-K158 WeakPolarHBondContact CA-O 3.19Å; F153-V159 HydrophobicContact CD1-CG2 3.85Å; F153-V159 HydrophobicContact CE1-CG2 3.54Å; F153-Y160 VanDerWaalsContact C-CE2 3.44Å; F153-Y160 WeakPolarHBondContact O-CE2 3.43Å
154	D	95.7	Very high	96.5	Very high	30 Å²	30	49.1 Å²	49.1	16%	0.16	28%	0.282	C	S	.	.			trans	-78.4	173.1	168	86.3	-29	0	0	0	111.1	S156 G157 K158 Y160 V222	D154-S156 PolarHBondContact O-N 2.89Å; D154-S156 VanDerWaalsContact O-N 3.09Å; D154-S156 WeakPolarHBondContact OD1-CA 3.41Å; D154-S156 PolarHBondContact OD1-N 2.02Å; D154-S156 PolarHBondContact OD1-OG 2.79Å; D154-S156 PolarHBondContact OD2-OG 2.8Å; D154-G157 PolarHBondContact O-N 2.77Å; D154-G157 PolarHBondContact OD1-N 3.04Å; D154-K158 PolarHBondContact N-O 2.85Å; D154-K158 WeakPolarHBondContact OD1-CA 3.25Å; D154-K158 WeakPolarHBondContact OD1-CB 3.43Å; D154-K158 PolarHBondContact OD1-N 2.93Å; D154-Y160 HydrophobicContact CB-CE1 4.1Å; D154-Y160 HydrophobicContact CB-CE2 4.04Å; D154-V222 HydrophobicContact CB-CG2 3.83Å
155	P	94.8	Very high	96.6	Very high	136 Å²	136	49.7 Å²	49.7	88%	0.883	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.8	177.5	-25.6	36	0	0	0	114.8
156	S	94.8	Very high	96.7	Very high	83 Å²	83	45.7 Å²	45.7	58%	0.58	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-2.6	176.9	76.3	0	0	0	0	113.7	D154	D154-S156 PolarHBondContact O-N 2.89Å; D154-S156 VanDerWaalsContact O-N 3.09Å; D154-S156 WeakPolarHBondContact OD1-CA 3.41Å; D154-S156 PolarHBondContact OD1-N 2.02Å; D154-S156 PolarHBondContact OD1-OG 2.79Å; D154-S156 PolarHBondContact OD2-OG 2.8Å
157	G	94.4	Very high	96.7	Very high	50 Å²	50	42.5 Å²	42.5	52%	0.515	24%	0.243	S	C	.	.	S	Bend	trans	86.1	5.6	-179	0	0	0	0	0	114.6	D154	D154-G157 PolarHBondContact O-N 2.77Å; D154-G157 PolarHBondContact OD1-N 3.04Å
158	K	95.5	Very high	96.8	Very high	87 Å²	87	41.6 Å²	41.6	38%	0.378	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-78.2	146.8	174.2	-68.1	-170.6	176.1	-163.3	0	111.1	F153 D154 V222	F153-K158 CarbonylContact C-O 3.52Å; F153-K158 VanDerWaalsContact CA-O 3.23Å; F153-K158 WeakPolarHBondContact CA-O 3.19Å; D154-K158 PolarHBondContact N-O 2.85Å; D154-K158 WeakPolarHBondContact OD1-CA 3.25Å; D154-K158 WeakPolarHBondContact OD1-CB 3.43Å; D154-K158 PolarHBondContact OD1-N 2.93Å; K158-V222 HydrophobicContact CB-CG1 3.83Å; K158-V222 HydrophobicContact CB-CG2 4.11Å; K158-V222 HydrophobicContact CD-CG1 3.62Å; K158-V222 HydrophobicContact CG-CG1 4.36Å
159	V	96.6	Very high	96.8	Very high	29 Å²	29	42.9 Å²	42.9	18%	0.176	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.9	-179.6	170.6	0	0	0	0	110.5	P144 F153 A161 N220 T221 V222	P144-V159 HydrophobicContact CG-CG1 3.54Å; P144-V159 HydrophobicContact CG-CG2 4.46Å; F153-V159 HydrophobicContact CD1-CG2 3.85Å; F153-V159 HydrophobicContact CE1-CG2 3.54Å; V159-A161 PolarHBondContact O-N 3.29Å; V159-N220 PolarHBondContact N-O 2.96Å; V159-T221 CarbonylContact O-C 3.53Å; V159-T221 VanDerWaalsContact O-CA 3.23Å; V159-T221 WeakPolarHBondContact O-CA 3.43Å; V159-V222 PolarHBondContact O-N 3.23Å
160	Y	97.6	Very high	96.8	Very high	24 Å²	24	39 Å²	39	9%	0.094	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.8	165.7	-76.7	-63.6	0	0	0	110.3	Q136 R152 F153 D154 P162 C163 M168 V222 K223	Q136-Y160 PolarHBondContact NE2-O 3.13Å; R152-Y160 PolarHBondContact O-N 3.42Å; F153-Y160 VanDerWaalsContact C-CE2 3.44Å; F153-Y160 WeakPolarHBondContact O-CE2 3.43Å; D154-Y160 HydrophobicContact CB-CE1 4.1Å; D154-Y160 HydrophobicContact CB-CE2 4.04Å; Y160-P162 CarbonylContact O-C 3.23Å; Y160-P162 VanDerWaalsContact O-C 3.25Å; Y160-C163 WeakPolarHBondContact O-CA 3.33Å; Y160-C163 WeakPolarHBondContact O-CB 3.41Å; Y160-C163 PolarHBondContact O-N 3.1Å; Y160-M168 HydrophobicContact CD1-CE 4.17Å; Y160-M168 HydrophobicContact CD2-CE 4.27Å; Y160-M168 HydrophobicContact CE1-CE 4.11Å; Y160-M168 HydrophobicContact CE2-CE 4.18Å; Y160-M168 HydrophobicContact CG-CE 4.26Å; Y160-V222 CarbonylContact C-O 3.57Å; Y160-V222 WeakPolarHBondContact CA-O 3.39Å; Y160-V222 HydrophobicContact CD1-CG2 3.69Å; Y160-V222 HydrophobicContact CE1-CG2 3.88Å; Y160-V222 HydrophobicContact CG-CG2 4.37Å; Y160-K223 WeakPolarHBondContact CD1-O 3.02Å; Y160-K223 WeakPolarHBondContact CE1-O 3.36Å
161	A	96.5	Very high	96.9	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.033	20%	0.202	C	C	.	.	S	Bend	trans	-123.8	100.4	-179.9	0	0	0	0	0	110.6	V159 W218 T221 V222 Y239	V159-A161 PolarHBondContact O-N 3.29Å; A161-W218 HydrophobicContact CB-CE3 4.35Å; A161-W218 HydrophobicContact CB-CZ3 3.88Å; A161-T221 HydrophobicContact CB-CG2 3.88Å; A161-V222 PolarHBondContact N-O 2.78Å; A161-Y239 VanDerWaalsContact C-OH 3.31Å; A161-Y239 WeakPolarHBondContact CB-OH 3.5Å
162	P	97.3	Very high	96.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.199	C	C	.	.	S	Bend	cis	-81.9	154.4	0.8	16.9	-4.5	0	0	0	113.4	L137 Y160 A167 P224 W227 Y239 L245	L137-P162 HydrophobicContact CD2-CB 3.65Å; L137-P162 HydrophobicContact CD2-CG 4.16Å; Y160-P162 CarbonylContact O-C 3.23Å; Y160-P162 VanDerWaalsContact O-C 3.25Å; P162-A167 HydrophobicContact CB-CB 3.93Å; P162-A167 HydrophobicContact CG-CB 3.72Å; P162-P224 WeakPolarHBondContact O-CG 3.42Å; P162-W227 HydrophobicContact CG-CH2 3.59Å; P162-W227 HydrophobicContact CG-CZ2 3.96Å; P162-W227 HydrophobicContact CG-CZ3 4.43Å; P162-Y239 HydrophobicContact CB-CE1 4.08Å; P162-Y239 HydrophobicContact CG-CD1 4.3Å; P162-Y239 HydrophobicContact CG-CE1 3.63Å; P162-L245 HydrophobicContact CG-CD2 4.43Å
163	C	97.7	Very high	96.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	19%	0.191	C	C	.	.			trans	-84.5	162.2	177.3	75.1	0	0	0	0	112.9	Q136 P144 C148 Y151 Y160	Q136-C163 PolarHBondContact OE1-SG 3.18Å; Q136-C163 VanDerWaalsContact OE1-SG 3.35Å; P144-C163 HydrophobicContact CB-CB 4.42Å; P144-C163 WeakPolarHBondContact CB-SG 3.42Å; C148-C163 HydrophobicContact CB-CB 3.66Å; C148-C163 WeakPolarHBondContact CB-SG 3.4Å; C148-C163 WeakPolarHBondContact SG-CB 3.42Å; C148-C163 CovalentContact SG-SG 2.05Å; C148-C163 PolarHBondContact SG-SG 3.35Å; Y151-C163 WeakPolarHBondContact O-CA 3.33Å; Y151-C163 WeakPolarHBondContact O-CB 3.24Å; Y160-C163 WeakPolarHBondContact O-CA 3.33Å; Y160-C163 WeakPolarHBondContact O-CB 3.41Å; Y160-C163 PolarHBondContact O-N 3.1Å
164	G	98	Very high	96.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	96.2	163.5	168.5	0	0	0	0	0	115.4	S131 C148 Y151 I166 A167 M168	S131-G164 CarbonylContact O-C 3.25Å; S131-G164 VanDerWaalsContact O-CA 3.24Å; S131-G164 WeakPolarHBondContact O-CA 3.49Å; S131-G164 WeakPolarHBondContact OG-CA 3.24Å; C148-G164 PolarHBondContact SG-N 2.88Å; Y151-G164 PolarHBondContact O-N 3.3Å; G164-I166 VanDerWaalsContact C-N 3.28Å; G164-I166 PolarHBondContact O-N 2.87Å; G164-A167 PolarHBondContact O-N 2.72Å; G164-M168 WeakPolarHBondContact O-CB 3.33Å; G164-M168 PolarHBondContact O-N 2.92Å
165	A	98.1	Very high	97	Very high	15 Å²	15	29.7 Å²	29.7	12%	0.124	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-31.4	-172.2	0	0	0	0	0	113	Y128 S131 Y151 S169	Y128-A165 HydrophobicContact CD2-CB 4.04Å; Y128-A165 HydrophobicContact CE2-CB 4.36Å; S131-A165 PolarHBondContact O-N 3.11Å; S131-A165 VanDerWaalsContact O-N 3.12Å; S131-A165 PolarHBondContact OG-N 2.79Å; Y151-A165 VanDerWaalsContact CD2-CA 3.46Å; Y151-A165 HydrophobicContact CD2-CB 3.71Å; Y151-A165 HydrophobicContact CE2-CB 3.6Å; A165-S169 WeakPolarHBondContact O-CB 3.35Å; A165-S169 PolarHBondContact O-N 2.93Å; A165-S169 VanDerWaalsContact O-N 3.11Å; A165-S169 PolarHBondContact O-OG 3.02Å
166	I	98.2	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-53.2	179.7	-50.7	179.2	0	0	0	109.4	Y128 S131 K132 G164 S169 W248 M249 V251	Y128-I166 HydrophobicContact CD1-CG1 3.9Å; Y128-I166 HydrophobicContact CE1-CB 4.22Å; Y128-I166 HydrophobicContact CE1-CD1 4.5Å; Y128-I166 HydrophobicContact CE1-CG1 3.67Å; Y128-I166 HydrophobicContact CE1-CG2 4.19Å; Y128-I166 WeakPolarHBondContact O-CD1 3.49Å; Y128-I166 VanDerWaalsContact O-CG1 3.24Å; Y128-I166 WeakPolarHBondContact O-CG1 3.47Å; S131-I166 PolarHBondContact O-N 3.09Å; K132-I166 HydrophobicContact CB-CD1 4.2Å; K132-I166 HydrophobicContact CD-CD1 4.02Å; K132-I166 HydrophobicContact CG-CD1 4.02Å; G164-I166 VanDerWaalsContact C-N 3.28Å; G164-I166 PolarHBondContact O-N 2.87Å; I166-S169 PolarHBondContact O-N 3.49Å; I166-S169 PolarHBondContact O-OG 2.79Å; I166-W248 PolarHBondContact O-NE1 3.5Å; I166-M249 HydrophobicContact CB-CE 3.99Å; I166-M249 HydrophobicContact CB-SD 3.98Å; I166-M249 HydrophobicContact CG2-CE 3.93Å; I166-M249 HydrophobicContact CG2-SD 3.49Å; I166-M249 WeakPolarHBondContact CG2-SD 3.46Å; I166-V251 HydrophobicContact CD1-CG2 3.77Å
167	A	97.9	Very high	97.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-44.6	176.8	0	0	0	0	0	111.6	P162 G164 S169 L170 W227 M249	P162-A167 HydrophobicContact CB-CB 3.93Å; P162-A167 HydrophobicContact CG-CB 3.72Å; G164-A167 PolarHBondContact O-N 2.72Å; A167-S169 PolarHBondContact O-N 2.94Å; A167-S169 VanDerWaalsContact O-N 3.09Å; A167-L170 WeakPolarHBondContact O-CB 2.91Å; A167-L170 PolarHBondContact O-N 2.83Å; A167-L170 VanDerWaalsContact O-N 3.11Å; A167-W227 HydrophobicContact CB-CZ2 4.32Å; A167-W227 PolarHBondContact O-NE1 2.98Å; A167-M249 HydrophobicContact CB-SD 4.26Å
168	M	97.3	Very high	97.5	Very high	23 Å²	23	20.2 Å²	20.2	11%	0.113	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-21.8	179.5	-169.8	61.8	69.2	0	0	113.6	Y151 Y160 G164 P224 L225 S226	Y151-M168 HydrophobicContact CD1-CB 4.29Å; Y151-M168 HydrophobicContact CD1-CE 3.75Å; Y151-M168 HydrophobicContact CD1-CG 3.78Å; Y151-M168 HydrophobicContact CD1-SD 4.47Å; Y151-M168 HydrophobicContact CD2-CB 4.45Å; Y151-M168 HydrophobicContact CE1-CG 3.89Å; Y151-M168 HydrophobicContact CG-CB 4.17Å; Y151-M168 HydrophobicContact CG-CE 4.19Å; Y151-M168 HydrophobicContact CG-CG 4.18Å; Y160-M168 HydrophobicContact CD1-CE 4.17Å; Y160-M168 HydrophobicContact CD2-CE 4.27Å; Y160-M168 HydrophobicContact CE1-CE 4.11Å; Y160-M168 HydrophobicContact CE2-CE 4.18Å; Y160-M168 HydrophobicContact CG-CE 4.26Å; G164-M168 WeakPolarHBondContact O-CB 3.33Å; G164-M168 PolarHBondContact O-N 2.92Å; M168-P224 HydrophobicContact CE-CB 3.8Å; M168-P224 HydrophobicContact SD-CB 3.7Å; M168-L225 HydrophobicContact SD-CB 4.07Å; M168-L225 PolarHBondContact SD-N 2.8Å; M168-L225 VanDerWaalsContact SD-N 3.39Å; M168-S226 VanDerWaalsContact O-CB 3.24Å; M168-S226 WeakPolarHBondContact O-CB 3.45Å; M168-S226 PolarHBondContact O-OG 2.96Å
169	S	97.3	Very high	97.7	Very high	27 Å²	27	17 Å²	17	19%	0.189	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	22.7	179.7	58.8	0	0	0	0	113.2	Y128 A165 I166 A167 F171 W248 Y287	Y128-S169 WeakPolarHBondContact CE2-OG 3.08Å; Y128-S169 PolarHBondContact OH-OG 2.76Å; A165-S169 WeakPolarHBondContact O-CB 3.35Å; A165-S169 PolarHBondContact O-N 2.93Å; A165-S169 VanDerWaalsContact O-N 3.11Å; A165-S169 PolarHBondContact O-OG 3.02Å; I166-S169 PolarHBondContact O-N 3.49Å; I166-S169 PolarHBondContact O-OG 2.79Å; A167-S169 PolarHBondContact O-N 2.94Å; A167-S169 VanDerWaalsContact O-N 3.09Å; S169-F171 PolarHBondContact O-N 3.27Å; S169-W248 WeakPolarHBondContact O-CZ2 3.03Å; S169-Y287 VanDerWaalsContact O-CE2 3.26Å; S169-Y287 WeakPolarHBondContact O-CE2 3.49Å; S169-Y287 PolarHBondContact O-OH 3.05Å
170	L	97.8	Very high	97.7	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.063	10%	0.1	C	C	.	.			trans	-47.3	127.5	175.8	-178.7	62.7	0	0	0	111.7	A167 N172 W227 L245 W248 Y287	A167-L170 WeakPolarHBondContact O-CB 2.91Å; A167-L170 PolarHBondContact O-N 2.83Å; A167-L170 VanDerWaalsContact O-N 3.11Å; L170-N172 PolarHBondContact O-N 3.14Å; L170-W227 HydrophobicContact CB-CZ2 4.33Å; L170-W227 HydrophobicContact CD2-CD2 4.35Å; L170-W227 HydrophobicContact CD2-CH2 4.32Å; L170-W227 HydrophobicContact CD2-CZ2 3.67Å; L170-L245 HydrophobicContact CD1-CD1 4.33Å; L170-L245 HydrophobicContact CD2-CD1 4.36Å; L170-W248 HydrophobicContact CD1-CB 3.37Å; L170-W248 HydrophobicContact CD1-CD2 4.22Å; L170-W248 HydrophobicContact CD1-CG 3.42Å; L170-W248 VanDerWaalsContact CD1-CG 3.42Å; L170-Y287 WeakPolarHBondContact O-CE2 3.43Å
171	F	97.8	Very high	97.7	Very high	15 Å²	15	16.3 Å²	16.3	7%	0.066	10%	0.096	C	C	.	.			trans	-59.3	130.4	175.3	-176.7	-95	0	0	0	111	Y68 Y116 L118 S169 D173 F175 W248 Y287 K296	Y68-F171 WeakPolarHBondContact OH-CZ 3.27Å; Y116-F171 AromaticContact CD1-CD1 3.87Å; Y116-F171 HydrophobicContact CD1-CD1 3.87Å; Y116-F171 AromaticContact CD1-CE1 3.87Å; Y116-F171 HydrophobicContact CD1-CE1 3.87Å; Y116-F171 HydrophobicContact CD2-CD1 4.1Å; Y116-F171 HydrophobicContact CD2-CD2 4.17Å; Y116-F171 HydrophobicContact CD2-CE1 4.2Å; Y116-F171 HydrophobicContact CD2-CE2 4.26Å; Y116-F171 HydrophobicContact CD2-CG 4.08Å; Y116-F171 HydrophobicContact CD2-CZ 4.25Å; Y116-F171 AromaticContact CE1-CD1 3.82Å; Y116-F171 HydrophobicContact CE1-CD1 3.82Å; Y116-F171 HydrophobicContact CE1-CE1 4.29Å; Y116-F171 HydrophobicContact CE1-CG 4.37Å; Y116-F171 HydrophobicContact CE2-CB 4.05Å; Y116-F171 HydrophobicContact CE2-CD1 4.01Å; Y116-F171 HydrophobicContact CE2-CD2 4.18Å; Y116-F171 AromaticContact CE2-CG 3.79Å; Y116-F171 HydrophobicContact CE2-CG 3.79Å; Y116-F171 HydrophobicContact CG-CD1 4.04Å; Y116-F171 AromaticContact CG-CE1 3.84Å; Y116-F171 HydrophobicContact CG-CE1 3.84Å; Y116-F171 HydrophobicContact CG-CG 4.47Å; Y116-F171 HydrophobicContact CG-CZ 4.1Å; Y116-F171 AromaticContact CZ-CD1 3.88Å; Y116-F171 AromaticContact CZ-CG 3.96Å; L118-F171 HydrophobicContact CD1-CD2 4.21Å; L118-F171 HydrophobicContact CD2-CD2 4.27Å; L118-F171 HydrophobicContact CD2-CE2 4.02Å; S169-F171 PolarHBondContact O-N 3.27Å; F171-D173 HydrophobicContact CE1-CB 3.69Å; F171-D173 HydrophobicContact CE2-CB 4.34Å; F171-D173 HydrophobicContact CZ-CB 3.47Å; F171-D173 VanDerWaalsContact CZ-CB 3.47Å; F171-D173 VanDerWaalsContact CZ-OD2 3.25Å; F171-D173 WeakPolarHBondContact CZ-OD2 3.27Å; F171-F175 AromaticContact CE1-CE2 3.8Å; F171-F175 HydrophobicContact CE1-CE2 3.8Å; F171-F175 HydrophobicContact CE1-CZ 4.09Å; F171-F175 HydrophobicContact CZ-CE2 4.14Å; F171-F175 AromaticContact CZ-CZ 3.95Å; F171-F175 HydrophobicContact CZ-CZ 3.95Å; F171-W248 HydrophobicContact CB-CD2 4.48Å; F171-W248 HydrophobicContact CB-CE3 3.78Å; F171-W248 HydrophobicContact CB-CH2 4.31Å; F171-W248 HydrophobicContact CB-CZ3 3.68Å; F171-Y287 AromaticContact CD2-CD1 3.73Å; F171-Y287 HydrophobicContact CD2-CD1 3.73Å; F171-Y287 HydrophobicContact CD2-CD2 4.18Å; F171-Y287 HydrophobicContact CD2-CE1 4.14Å; F171-Y287 AromaticContact CD2-CG 3.74Å; F171-Y287 HydrophobicContact CD2-CG 3.74Å; F171-Y287 HydrophobicContact CE2-CD1 4.07Å; F171-Y287 HydrophobicContact CE2-CG 4.08Å; F171-K296 HydrophobicContact CE2-CD 4.24Å
172	N	96.3	Very high	97.6	Very high	56 Å²	56	21.4 Å²	21.4	30%	0.299	12%	0.117	S	C	.	.			trans	-132.7	14.6	-167.8	71.2	-7.8	0	0	0	115	L170 S286 Y287	L170-N172 PolarHBondContact O-N 3.14Å; N172-S286 WeakPolarHBondContact OD1-CB 3.45Å; N172-Y287 WeakPolarHBondContact OD1-CA 3.49Å; N172-Y287 WeakPolarHBondContact OD1-CB 3.49Å; N172-Y287 WeakPolarHBondContact OD1-CD2 3.49Å; N172-Y287 PolarHBondContact OD1-N 2.96Å
173	D	97.7	Very high	97.4	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	14%	0.143	C	C	.	.			trans	-74.9	146.1	165.6	-56.2	-30.3	0	0	0	110.1	Y68 F171 F175 I283 E284 S286 Y287 K296	Y68-D173 WeakPolarHBondContact CE2-OD2 3.3Å; Y68-D173 PolarHBondContact OH-OD2 3.05Å; Y68-D173 VanDerWaalsContact OH-OD2 3.08Å; F171-D173 HydrophobicContact CE1-CB 3.69Å; F171-D173 HydrophobicContact CE2-CB 4.34Å; F171-D173 HydrophobicContact CZ-CB 3.47Å; F171-D173 VanDerWaalsContact CZ-CB 3.47Å; F171-D173 VanDerWaalsContact CZ-OD2 3.25Å; F171-D173 WeakPolarHBondContact CZ-OD2 3.27Å; D173-F175 HydrophobicContact CB-CE1 4.46Å; D173-F175 HydrophobicContact CB-CE2 4.28Å; D173-F175 HydrophobicContact CB-CZ 3.89Å; D173-I283 HydrophobicContact CB-CG2 4.49Å; D173-E284 VanDerWaalsContact CA-O 3.28Å; D173-E284 WeakPolarHBondContact CA-O 3.29Å; D173-S286 PolarHBondContact OD1-N 3.35Å; D173-Y287 WeakPolarHBondContact OD1-CB 3.49Å; D173-Y287 PolarHBondContact OD1-N 3.13Å; D173-K296 IonicContact OD1-NZ 3.8Å; D173-K296 PolarHBondContact OD1-NZ 3.39Å; D173-K296 WeakPolarHBondContact OD2-CD 3.24Å; D173-K296 WeakPolarHBondContact OD2-CE 3.32Å; D173-K296 IonicContact OD2-NZ 2.76Å; D173-K296 PolarHBondContact OD2-NZ 3.09Å
174	S	97.6	Very high	97.1	Very high	47 Å²	47	30.2 Å²	30.2	33%	0.329	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.3	173	-56.5	0	0	0	0	111.4	I283 E284	S174-I283 WeakPolarHBondContact O-CA 3.12Å; S174-E284 PolarHBondContact N-O 2.73Å; S174-E284 PolarHBondContact O-N 3.34Å
175	F	98.3	Very high	96.9	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.5	-175.1	-52.8	-82	0	0	0	111.7	Y68 F114 F171 D173 Y261 V281 N282 I283 I298	Y68-F175 AromaticContact CE1-CE1 3.98Å; Y68-F175 HydrophobicContact CE1-CE1 3.98Å; Y68-F175 HydrophobicContact CE1-CZ 4.17Å; Y68-F175 HydrophobicContact CE2-CE1 4.1Å; Y68-F175 HydrophobicContact CE2-CZ 4.39Å; Y68-F175 AromaticContact CZ-CE1 3.69Å; Y68-F175 AromaticContact CZ-CZ 3.71Å; Y68-F175 VanDerWaalsContact OH-CZ 3.31Å; Y68-F175 WeakPolarHBondContact OH-CZ 3.24Å; F114-F175 HydrophobicContact CE1-CB 4.15Å; F114-F175 HydrophobicContact CE1-CD1 4.43Å; F114-F175 AromaticContact CE1-CD2 3.82Å; F114-F175 HydrophobicContact CE1-CD2 3.82Å; F114-F175 HydrophobicContact CE1-CE2 4.33Å; F114-F175 AromaticContact CE1-CG 3.88Å; F114-F175 HydrophobicContact CE1-CG 3.88Å; F114-F175 HydrophobicContact CE2-CB 4.24Å; F114-F175 HydrophobicContact CZ-CB 3.59Å; F114-F175 HydrophobicContact CZ-CD1 4.07Å; F114-F175 HydrophobicContact CZ-CD2 4.09Å; F114-F175 AromaticContact CZ-CG 3.65Å; F114-F175 HydrophobicContact CZ-CG 3.65Å; F171-F175 AromaticContact CE1-CE2 3.8Å; F171-F175 HydrophobicContact CE1-CE2 3.8Å; F171-F175 HydrophobicContact CE1-CZ 4.09Å; F171-F175 HydrophobicContact CZ-CE2 4.14Å; F171-F175 AromaticContact CZ-CZ 3.95Å; F171-F175 HydrophobicContact CZ-CZ 3.95Å; D173-F175 HydrophobicContact CB-CE1 4.46Å; D173-F175 HydrophobicContact CB-CE2 4.28Å; D173-F175 HydrophobicContact CB-CZ 3.89Å; F175-Y261 HydrophobicContact CB-CD1 4.43Å; F175-Y261 HydrophobicContact CB-CE1 3.86Å; F175-Y261 AromaticContact CD2-CD1 3.67Å; F175-Y261 HydrophobicContact CD2-CD1 3.67Å; F175-Y261 HydrophobicContact CD2-CD2 4.42Å; F175-Y261 AromaticContact CD2-CE1 3.48Å; F175-Y261 HydrophobicContact CD2-CE1 3.48Å; F175-Y261 VanDerWaalsContact CD2-CE1 3.48Å; F175-Y261 HydrophobicContact CD2-CE2 4.2Å; F175-Y261 HydrophobicContact CD2-CG 4.18Å; F175-Y261 AromaticContact CD2-CZ 3.74Å; F175-Y261 HydrophobicContact CE2-CD1 4.46Å; F175-Y261 HydrophobicContact CG-CD1 4.49Å; F175-Y261 HydrophobicContact CG-CE1 4.16Å; F175-Y261 PolarHBondContact N-OH 3.17Å; F175-V281 HydrophobicContact CB-CG1 3.97Å; F175-V281 HydrophobicContact CD1-CG1 3.87Å; F175-V281 HydrophobicContact CG-CG1 4.4Å; F175-N282 WeakPolarHBondContact CA-O 3.17Å; F175-I283 HydrophobicContact CD1-CB 4.43Å; F175-I283 HydrophobicContact CD1-CD1 4.44Å; F175-I283 HydrophobicContact CD1-CG1 3.97Å; F175-I283 HydrophobicContact CD1-CG2 4.05Å; F175-I283 HydrophobicContact CE1-CD1 4.29Å; F175-I283 HydrophobicContact CE1-CG1 4.21Å; F175-I283 HydrophobicContact CE1-CG2 3.77Å; F175-I298 HydrophobicContact CD1-CD1 3.8Å; F175-I298 HydrophobicContact CD1-CG1 3.93Å; F175-I298 HydrophobicContact CE1-CD1 3.82Å; F175-I298 HydrophobicContact CE1-CG1 3.69Å; F175-I298 HydrophobicContact CZ-CG1 4.34Å
176	T	98.2	Very high	96.7	Very high	54 Å²	54	41 Å²	41	33%	0.331	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.8	167.2	-59.4	0	0	0	0	109.4	Q192 V281 N282	T176-Q192 HydrophobicContact CG2-CG 4.09Å; T176-V281 WeakPolarHBondContact O-CA 3.36Å; T176-N282 PolarHBondContact N-O 3.07Å; T176-N282 PolarHBondContact O-N 2.93Å
177	L	98.4	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.4	179.4	-178.8	65.7	0	0	0	110.1	F102 F114 V193 M195 I264 Y279 V281 L300	F102-L177 HydrophobicContact CE1-CD1 4.14Å; F102-L177 HydrophobicContact CZ-CD1 3.95Å; F114-L177 HydrophobicContact CD2-CD2 4.48Å; F114-L177 HydrophobicContact CE2-CB 4.39Å; L177-V193 HydrophobicContact CB-CB 4.11Å; L177-V193 HydrophobicContact CB-CG2 4.34Å; L177-V193 HydrophobicContact CD2-CB 3.9Å; L177-V193 HydrophobicContact CD2-CG1 3.97Å; L177-V193 HydrophobicContact CD2-CG2 3.88Å; L177-V193 HydrophobicContact CG-CB 3.91Å; L177-V193 HydrophobicContact CG-CG2 3.69Å; L177-V193 PolarHBondContact O-N 3.32Å; L177-M195 HydrophobicContact CB-CE 3.85Å; L177-M195 HydrophobicContact CB-SD 4.03Å; L177-M195 HydrophobicContact CD2-SD 4.4Å; L177-I264 HydrophobicContact CD2-CD1 4.12Å; L177-Y279 HydrophobicContact CD1-CD1 3.91Å; L177-Y279 HydrophobicContact CD1-CG 4.4Å; L177-Y279 HydrophobicContact CG-CD1 4.18Å; L177-V281 HydrophobicContact CD1-CG2 3.48Å; L177-V281 VanDerWaalsContact CD1-CG2 3.48Å; L177-L300 HydrophobicContact CD1-CD1 4.47Å; L177-L300 HydrophobicContact CD2-CD1 4.08Å; L177-L300 HydrophobicContact CD2-CD2 4.27Å
178	T	98.4	Very high	96.3	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.104	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.8	-177.7	-51.5	0	0	0	0	109.7	L180 P190 L191 Y279 S280	T178-L180 HydrophobicContact CG2-CD2 4.26Å; T178-P190 HydrophobicContact CG2-CB 3.45Å; T178-P190 VanDerWaalsContact CG2-CB 3.45Å; T178-L191 CarbonylContact C-O 3.56Å; T178-L191 WeakPolarHBondContact CA-O 3.48Å; T178-Y279 CarbonylContact O-C 3.57Å; T178-Y279 VanDerWaalsContact O-CA 3.3Å; T178-Y279 WeakPolarHBondContact O-CA 3.34Å; T178-S280 PolarHBondContact N-O 2.83Å; T178-S280 PolarHBondContact O-N 3.31Å
179	Y	98.3	Very high	96.1	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.078	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.7	173.8	-179.3	-125.5	0	0	0	110.6	G181 L187 P190 L191 F270 P275 A276 I278 Y279	Y179-G181 VanDerWaalsContact CZ-CA 3.48Å; Y179-L187 HydrophobicContact CD1-CD1 3.55Å; Y179-L187 HydrophobicContact CE1-CD1 3.76Å; Y179-P190 WeakPolarHBondContact O-CA 3.44Å; Y179-L191 HydrophobicContact CD1-CD1 4.47Å; Y179-L191 PolarHBondContact N-O 3.08Å; Y179-L191 PolarHBondContact O-N 3.2Å; Y179-F270 HydrophobicContact CD1-CE1 4.34Å; Y179-F270 HydrophobicContact CG-CE1 4.24Å; Y179-P275 HydrophobicContact CE2-CB 4.47Å; Y179-A276 PolarHBondContact OH-O 3.28Å; Y179-I278 WeakPolarHBondContact CD2-O 3.15Å; Y179-Y279 HydrophobicContact CD2-CD1 4.06Å; Y179-Y279 HydrophobicContact CD2-CD2 4.03Å; Y179-Y279 AromaticContact CD2-CE1 3.58Å; Y179-Y279 HydrophobicContact CD2-CE1 3.58Å; Y179-Y279 AromaticContact CD2-CE2 3.53Å; Y179-Y279 HydrophobicContact CD2-CE2 3.53Å; Y179-Y279 HydrophobicContact CD2-CG 4.27Å; Y179-Y279 AromaticContact CD2-CZ 3.29Å; Y179-Y279 AromaticContact CE2-CE2 3.81Å; Y179-Y279 HydrophobicContact CE2-CE2 3.81Å; Y179-Y279 AromaticContact CE2-CZ 3.85Å; Y179-Y279 AromaticContact CG-CE1 3.99Å; Y179-Y279 HydrophobicContact CG-CE1 3.99Å
180	L	97.9	Very high	96.1	Very high	36 Å²	36	58.6 Å²	58.6	19%	0.188	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-6.9	-176.7	-56.9	-175.8	0	0	0	113.2	T178 L187 P190 I278	T178-L180 HydrophobicContact CG2-CD2 4.26Å; L180-L187 PolarHBondContact O-N 3.19Å; L180-P190 HydrophobicContact CD2-CB 3.76Å; L180-P190 HydrophobicContact CD2-CG 3.81Å; L180-I278 HydrophobicContact CB-CB 4.25Å; L180-I278 HydrophobicContact CB-CG2 4.35Å; L180-I278 WeakPolarHBondContact CB-O 3.46Å; L180-I278 HydrophobicContact CD1-CG2 3.95Å; L180-I278 PolarHBondContact N-O 2.66Å
181	G	96.7	Very high	96.1	Very high	2 Å²	2	61.2 Å²	61.2	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.3	-175	-174.4	0	0	0	0	0	112.9	Y179 G277 I278	Y179-G181 VanDerWaalsContact CZ-CA 3.48Å; G181-G277 CarbonylContact O-C 3Å; G181-G277 WeakPolarHBondContact O-CA 3.41Å; G181-I278 PolarHBondContact O-N 2.87Å
182	K	95.4	Very high	96.1	Very high	110 Å²	110	67 Å²	67	48%	0.478	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	152.1	174	-69.1	178.9	-179.6	175.3	0	109.4	S184 E185 P186	K182-S184 PolarHBondContact O-N 3.46Å; K182-E185 PolarHBondContact N-O 2.92Å; K182-E185 CarbonylContact O-C 3.48Å; K182-E185 PolarHBondContact O-N 2.03Å; K182-P186 VanDerWaalsContact O-N 3.15Å
183	S	91.2	Very high	96.1	Very high	79 Å²	79	64.4 Å²	64.4	55%	0.552	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.3	176.8	-170.2	0	0	0	0	112.7
184	S	93.2	Very high	96.2	Very high	109 Å²	109	66.1 Å²	66.1	76%	0.762	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.7	176.5	62.4	0	0	0	0	114.7	K182	K182-S184 PolarHBondContact O-N 3.46Å
185	E	92.8	Very high	96.2	Very high	147 Å²	147	66 Å²	66	69%	0.687	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	76.3	-176	-167.9	-178.3	-179.5	0	0	109.3	K182	K182-E185 PolarHBondContact N-O 2.92Å; K182-E185 CarbonylContact O-C 3.48Å; K182-E185 PolarHBondContact O-N 2.03Å
186	P	93.1	Very high	96.1	Very high	95 Å²	95	67.7 Å²	67.7	62%	0.617	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.1	177.1	-21.1	33.6	0	0	0	110.8	K182	K182-P186 VanDerWaalsContact O-N 3.15Å
187	L	94.3	Very high	96	Very high	69 Å²	69	68.2 Å²	68.2	36%	0.361	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.4	174.7	-68.5	175.2	0	0	0	110.1	Y179 L180 K189 L191	Y179-L187 HydrophobicContact CD1-CD1 3.55Å; Y179-L187 HydrophobicContact CE1-CD1 3.76Å; L180-L187 PolarHBondContact O-N 3.19Å; L187-K189 PolarHBondContact O-N 3.26Å; L187-K189 VanDerWaalsContact O-N 3.17Å; L187-L191 HydrophobicContact CD1-CD1 3.73Å; L187-L191 HydrophobicContact CD1-CG 3.86Å
188	A	93.3	Very high	96	Very high	115 Å²	115	72.6 Å²	72.6	95%	0.95	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	-29.8	173.6	0	0	0	0	0	112.6
189	K	94.7	Very high	95.9	Very high	165 Å²	165	74.3 Å²	74.3	72%	0.717	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.4	173.6	-172.7	177.1	179.6	179.5	0	110.1	L187	L187-K189 PolarHBondContact O-N 3.26Å; L187-K189 VanDerWaalsContact O-N 3.17Å
190	P	96.1	Very high	95.8	Very high	70 Å²	70	73.9 Å²	73.9	46%	0.455	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	139	173.1	-28.4	36.7	0	0	0	112.7	T178 Y179 L180	T178-P190 HydrophobicContact CG2-CB 3.45Å; T178-P190 VanDerWaalsContact CG2-CB 3.45Å; Y179-P190 WeakPolarHBondContact O-CA 3.44Å; L180-P190 HydrophobicContact CD2-CB 3.76Å; L180-P190 HydrophobicContact CD2-CG 3.81Å
191	L	97.5	Very high	95.8	Very high	68 Å²	68	72.9 Å²	72.9	36%	0.356	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.2	178.1	-65	175.6	0	0	0	110	T178 Y179 L187 V193 A269 F270	T178-L191 CarbonylContact C-O 3.56Å; T178-L191 WeakPolarHBondContact CA-O 3.48Å; Y179-L191 HydrophobicContact CD1-CD1 4.47Å; Y179-L191 PolarHBondContact N-O 3.08Å; Y179-L191 PolarHBondContact O-N 3.2Å; L187-L191 HydrophobicContact CD1-CD1 3.73Å; L187-L191 HydrophobicContact CD1-CG 3.86Å; L191-V193 PolarHBondContact O-N 2.9Å; L191-A269 HydrophobicContact CD1-CB 4.03Å; L191-F270 HydrophobicContact CB-CE2 4.43Å; L191-F270 HydrophobicContact CB-CZ 4.11Å
192	Q	97.6	Very high	95.8	Very high	136 Å²	136	80.5 Å²	80.5	64%	0.636	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.4	172.2	-174.2	174.8	-5.6	0	0	109.5	T176 P194	T176-Q192 HydrophobicContact CG2-CG 4.09Å; Q192-P194 WeakPolarHBondContact O-CD 3.44Å
193	V	98.2	Very high	95.9	Very high	2 Å²	2	83.7 Å²	83.7	1%	0.012	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-76.4	118.1	176.4	-176	0	0	0	0	108	L177 L191 M195 I264 F270 L274 Y279	L177-V193 HydrophobicContact CB-CB 4.11Å; L177-V193 HydrophobicContact CB-CG2 4.34Å; L177-V193 HydrophobicContact CD2-CB 3.9Å; L177-V193 HydrophobicContact CD2-CG1 3.97Å; L177-V193 HydrophobicContact CD2-CG2 3.88Å; L177-V193 HydrophobicContact CG-CB 3.91Å; L177-V193 HydrophobicContact CG-CG2 3.69Å; L177-V193 PolarHBondContact O-N 3.32Å; L191-V193 PolarHBondContact O-N 2.9Å; V193-M195 HydrophobicContact CG1-CG 4.46Å; V193-I264 HydrophobicContact CG1-CD1 4.04Å; V193-I264 HydrophobicContact CG1-CG2 3.8Å; V193-F270 HydrophobicContact CB-CE2 4.43Å; V193-F270 HydrophobicContact CB-CZ 4.34Å; V193-F270 HydrophobicContact CG1-CG 4.48Å; V193-F270 HydrophobicContact CG2-CE1 3.85Å; V193-F270 HydrophobicContact CG2-CE2 4.25Å; V193-F270 HydrophobicContact CG2-CZ 3.68Å; V193-L274 HydrophobicContact CG1-CD2 3.8Å; V193-L274 HydrophobicContact CG2-CD2 4.48Å; V193-Y279 HydrophobicContact CG2-CD1 4.19Å; V193-Y279 HydrophobicContact CG2-CE1 3.85Å
194	P	98	Very high	96.2	Very high	39 Å²	39	84 Å²	84	25%	0.253	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-71.3	133.6	178.9	27.1	-27.6	0	0	0	109.6	Q192 T265 V267 F270	Q192-P194 WeakPolarHBondContact O-CD 3.44Å; P194-T265 PolarHBondContact O-N 2.8Å; P194-V267 HydrophobicContact CB-CG2 4.17Å; P194-V267 HydrophobicContact CG-CG2 3.39Å; P194-F270 HydrophobicContact CG-CD2 4.17Å
195	M	97.8	Very high	96.4	Very high	45 Å²	45	79 Å²	79	22%	0.222	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142	-174.8	-65.9	-170	-67	0	0	109.4	F114 L177 V193 R262 L263 I264	F114-M195 HydrophobicContact CB-SD 4.46Å; F114-M195 HydrophobicContact CD2-SD 3.65Å; F114-M195 HydrophobicContact CE2-SD 4.27Å; F114-M195 HydrophobicContact CG-SD 4.34Å; L177-M195 HydrophobicContact CB-CE 3.85Å; L177-M195 HydrophobicContact CB-SD 4.03Å; L177-M195 HydrophobicContact CD2-SD 4.4Å; V193-M195 HydrophobicContact CG1-CG 4.46Å; M195-R262 HydrophobicContact CB-CB 3.88Å; M195-R262 HydrophobicContact CB-CG 4.05Å; M195-R262 HydrophobicContact CG-CB 4.46Å; M195-R262 HydrophobicContact SD-CB 4.23Å; M195-R262 HydrophobicContact SD-CG 4.42Å; M195-L263 CarbonylContact C-O 3.47Å; M195-L263 VanDerWaalsContact CA-O 3.29Å; M195-L263 WeakPolarHBondContact CA-O 3.47Å; M195-I264 HydrophobicContact CG-CD1 3.56Å; M195-I264 HydrophobicContact SD-CD1 3.7Å
196	T	97.7	Very high	96.5	Very high	44 Å²	44	74.1 Å²	74.1	27%	0.27	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.4	177.9	-177.6	0	0	0	0	111.6	K198 R262 L263	T196-K198 PolarHBondContact OG1-N 2.94Å; T196-K198 VanDerWaalsContact OG1-N 3.09Å; T196-R262 VanDerWaalsContact O-CA 3.25Å; T196-R262 WeakPolarHBondContact O-CA 3.47Å; T196-R262 WeakPolarHBondContact O-CB 3.29Å; T196-R262 WeakPolarHBondContact O-CD 3.12Å; T196-L263 HydrophobicContact CG2-CB 3.85Å; T196-L263 PolarHBondContact N-O 3.37Å; T196-L263 PolarHBondContact O-N 3.28Å
197	N	96.2	Very high	96.6	Very high	64 Å²	64	74.6 Å²	74.6	34%	0.342	40%	0.395	S	S	.	.	S	Bend	trans	-95.2	7.4	170.9	67.5	-14.8	0	0	0	112.6	I200	N197-I200 HydrophobicContact CB-CD1 4.47Å; N197-I200 WeakPolarHBondContact O-CD1 3.47Å; N197-I200 WeakPolarHBondContact O-CG1 3.33Å
198	K	96.7	Very high	96.7	Very high	92 Å²	92	77.8 Å²	77.8	40%	0.4	41%	0.408	S	S	.	.	S	Bend	trans	-98	144.1	175.5	-61.6	-60.2	-175.4	176.9	0	111	T196 I200 E241 E243	T196-K198 PolarHBondContact OG1-N 2.94Å; T196-K198 VanDerWaalsContact OG1-N 3.09Å; K198-I200 VanDerWaalsContact C-N 3.33Å; K198-E241 PolarHBondContact NZ-O 3.47Å; K198-E243 WeakPolarHBondContact CA-OE1 3.38Å
199	G	96.4	Very high	96.9	Very high	53 Å²	53	76.1 Å²	76.1	55%	0.546	38%	0.379	S	S	.	.	S	Bend	trans	73.5	21.4	-176.4	0	0	0	0	0	114.2	E243	G199-E243 WeakPolarHBondContact CA-OE2 3.35Å; G199-E243 VanDerWaalsContact N-CD 3.29Å; G199-E243 PolarHBondContact N-OE1 3.12Å; G199-E243 PolarHBondContact N-OE2 2.95Å
200	I	98	Very high	97	Very high	11 Å²	11	68.7 Å²	68.7	6%	0.056	35%	0.347	C	S	.	.			trans	-93.8	-24.6	176.4	64.9	176.6	0	0	0	112.7	N197 K198 E243 E244 V247 L260 Y261 L263	N197-I200 HydrophobicContact CB-CD1 4.47Å; N197-I200 WeakPolarHBondContact O-CD1 3.47Å; N197-I200 WeakPolarHBondContact O-CG1 3.33Å; K198-I200 VanDerWaalsContact C-N 3.33Å; I200-E243 HydrophobicContact CD1-CB 3.96Å; I200-E243 HydrophobicContact CG1-CB 3.49Å; I200-E243 VanDerWaalsContact CG1-CB 3.49Å; I200-E243 PolarHBondContact N-OE2 3.09Å; I200-E244 HydrophobicContact CD1-CG 4.26Å; I200-V247 HydrophobicContact CB-CG2 4.41Å; I200-V247 HydrophobicContact CD1-CG2 4.34Å; I200-V247 HydrophobicContact CG1-CG2 4.05Å; I200-V247 WeakPolarHBondContact O-CG2 3.28Å; I200-L260 HydrophobicContact CB-CD2 3.75Å; I200-L260 HydrophobicContact CB-CG 3.87Å; I200-L260 HydrophobicContact CG2-CD2 3.94Å; I200-L260 HydrophobicContact CG2-CG 3.92Å; I200-Y261 WeakPolarHBondContact CD1-O 3.35Å; I200-L263 HydrophobicContact CG2-CG 4.04Å
201	A	97.8	Very high	96.9	Very high	16 Å²	16	66 Å²	66	13%	0.132	33%	0.332	C	S	.	.	S	Bend	trans	-91	162.2	176.8	0	0	0	0	0	111.7	V206 E243 L246 V247	A201-V206 HydrophobicContact CB-CG2 3.78Å; A201-E243 HydrophobicContact CB-CB 3.85Å; A201-E243 HydrophobicContact CB-CG 3.97Å; A201-E243 PolarHBondContact N-OE2 2.82Å; A201-L246 HydrophobicContact CB-CB 3.88Å; A201-L246 HydrophobicContact CB-CD1 4.2Å; A201-V247 HydrophobicContact CB-CG2 4.29Å
202	W	96.9	Very high	96.8	Very high	161 Å²	161	68.1 Å²	68.1	61%	0.61	34%	0.338	S	S	*	.			trans	-67.4	138.4	173.6	-71.5	78.2	0	0	0	109.7	T204 D205 V206	W202-T204 PolarHBondContact O-N 2.7Å; W202-T204 VanDerWaalsContact O-N 3.16Å; W202-D205 HydrophobicContact CB-CB 4.32Å; W202-D205 WeakPolarHBondContact O-CA 3.37Å; W202-D205 WeakPolarHBondContact O-CB 3.42Å; W202-D205 PolarHBondContact O-N 2.87Å; W202-V206 PolarHBondContact O-N 3.29Å; W202-V206 VanDerWaalsContact O-N 3.12Å
203	R	96.7	Very high	96.6	Very high	178 Å²	178	62 Å²	62	67%	0.672	31%	0.31	S	S	*	.	H	α-helix	trans	-51	-42.1	178.5	-175.9	178.9	158.9	176.8	-3.8	112.8	D205 V206 E207	R203-D205 VanDerWaalsContact C-N 3.34Å; R203-D205 PolarHBondContact O-N 3.07Å; R203-V206 PolarHBondContact O-N 2.62Å; R203-E207 HydrophobicContact CG-CG 4.16Å; R203-E207 VanDerWaalsContact CG-OE1 3.24Å; R203-E207 WeakPolarHBondContact CG-OE1 3.25Å; R203-E207 WeakPolarHBondContact CG-OE2 3.45Å; R203-E207 IonicContact CZ-OE1 3.84Å; R203-E207 IonicContact CZ-OE2 3.47Å; R203-E207 IonicContact NE-OE1 2.87Å; R203-E207 PolarHBondContact NE-OE1 2.92Å; R203-E207 IonicContact NE-OE2 2.68Å; R203-E207 PolarHBondContact NE-OE2 3.41Å; R203-E207 IonicContact NH2-OE1 3.04Å; R203-E207 IonicContact NH2-OE2 3.3Å; R203-E207 PolarHBondContact NH2-OE2 3.08Å; R203-E207 WeakPolarHBondContact O-CB 3.31Å; R203-E207 WeakPolarHBondContact O-CG 3.29Å; R203-E207 PolarHBondContact O-N 2.69Å
204	T	97.2	Very high	96.4	Very high	85 Å²	85	65.4 Å²	65.4	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-69.9	-26.8	176.7	52.2	0	0	0	0	114	W202 E208 K209	W202-T204 PolarHBondContact O-N 2.7Å; W202-T204 VanDerWaalsContact O-N 3.16Å; T204-E208 WeakPolarHBondContact O-CB 3.23Å; T204-E208 PolarHBondContact O-N 2.82Å; T204-K209 PolarHBondContact O-N 2.93Å; T204-K209 VanDerWaalsContact O-N 3.08Å
205	D	97.1	Very high	96.1	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	35%	0.352	C	S	.	.	I	π-helix	trans	-69	-41.5	172	-72.9	-26.9	0	0	0	109.8	W202 R203 K209 F210 L246 R250	W202-D205 HydrophobicContact CB-CB 4.32Å; W202-D205 WeakPolarHBondContact O-CA 3.37Å; W202-D205 WeakPolarHBondContact O-CB 3.42Å; W202-D205 PolarHBondContact O-N 2.87Å; R203-D205 VanDerWaalsContact C-N 3.34Å; R203-D205 PolarHBondContact O-N 3.07Å; D205-K209 VanDerWaalsContact OD1-CD 3.31Å; D205-K209 WeakPolarHBondContact OD1-CD 3.4Å; D205-K209 IonicContact OD1-NZ 3.14Å; D205-K209 PolarHBondContact OD1-NZ 3.01Å; D205-F210 HydrophobicContact CB-CD2 4.02Å; D205-F210 HydrophobicContact CB-CE2 4.08Å; D205-F210 WeakPolarHBondContact O-CD2 3.16Å; D205-F210 PolarHBondContact O-N 3.29Å; D205-F210 VanDerWaalsContact O-N 3.14Å; D205-L246 HydrophobicContact CB-CB 4.46Å; D205-L246 HydrophobicContact CB-CD1 4.09Å; D205-R250 IonicContact OD1-NH2 2.94Å; D205-R250 PolarHBondContact OD1-NH2 3.33Å; D205-R250 VanDerWaalsContact OD1-NH2 3.14Å; D205-R250 IonicContact OD2-CZ 3.26Å; D205-R250 IonicContact OD2-NE 3.74Å; D205-R250 PolarHBondContact OD2-NE 3.42Å; D205-R250 VanDerWaalsContact OD2-NE 3.13Å; D205-R250 IonicContact OD2-NH2 2.7Å; D205-R250 PolarHBondContact OD2-NH2 3.32Å
206	V	96.1	Very high	95.8	Very high	44 Å²	44	72.4 Å²	72.4	27%	0.267	38%	0.38	S	S	.	.	I	π-helix	trans	-73.4	-47.5	-178.3	178	0	0	0	0	112.8	A201 W202 R203 E243 L246	A201-V206 HydrophobicContact CB-CG2 3.78Å; W202-V206 PolarHBondContact O-N 3.29Å; W202-V206 VanDerWaalsContact O-N 3.12Å; R203-V206 PolarHBondContact O-N 2.62Å; V206-E243 HydrophobicContact CG2-CG 4.1Å; V206-L246 HydrophobicContact CB-CD1 4.49Å; V206-L246 HydrophobicContact CG2-CD1 3.87Å
207	E	95.3	Very high	95.5	Very high	106 Å²	106	71.6 Å²	71.6	50%	0.495	38%	0.376	S	S	.	.	I	π-helix	trans	-85.7	-31.1	-170.1	-68.3	177.1	-173.3	0	0	113.4	R203	R203-E207 HydrophobicContact CG-CG 4.16Å; R203-E207 VanDerWaalsContact CG-OE1 3.24Å; R203-E207 WeakPolarHBondContact CG-OE1 3.25Å; R203-E207 WeakPolarHBondContact CG-OE2 3.45Å; R203-E207 IonicContact CZ-OE1 3.84Å; R203-E207 IonicContact CZ-OE2 3.47Å; R203-E207 IonicContact NE-OE1 2.87Å; R203-E207 PolarHBondContact NE-OE1 2.92Å; R203-E207 IonicContact NE-OE2 2.68Å; R203-E207 PolarHBondContact NE-OE2 3.41Å; R203-E207 IonicContact NH2-OE1 3.04Å; R203-E207 IonicContact NH2-OE2 3.3Å; R203-E207 PolarHBondContact NH2-OE2 3.08Å; R203-E207 WeakPolarHBondContact O-CB 3.31Å; R203-E207 WeakPolarHBondContact O-CG 3.29Å; R203-E207 PolarHBondContact O-N 2.69Å
208	E	95.4	Very high	95.3	Very high	135 Å²	135	70.1 Å²	70.1	63%	0.631	37%	0.366	S	S	*	.	I	π-helix	trans	-122.6	-44.8	-166.7	-60.9	-65.6	157.5	0	0	113.5	H138 T204	H138-E208 PolarHBondContact CE1-O 3.25Å; H138-E208 PolarHBondContact ND1-O 3.13Å; T204-E208 WeakPolarHBondContact O-CB 3.23Å; T204-E208 PolarHBondContact O-N 2.82Å
209	K	96.8	Very high	95.1	Very high	81 Å²	81	69.3 Å²	69.3	35%	0.352	38%	0.376	S	S	.	.	I	π-helix	trans	-84.8	-48.1	-165.6	-177	179.8	166.4	-170.7	0	113.5	H138 T204 D205	H138-K209 PolarHBondContact ND1-O 3.41Å; T204-K209 PolarHBondContact O-N 2.93Å; T204-K209 VanDerWaalsContact O-N 3.08Å; D205-K209 VanDerWaalsContact OD1-CD 3.31Å; D205-K209 WeakPolarHBondContact OD1-CD 3.4Å; D205-K209 IonicContact OD1-NZ 3.14Å; D205-K209 PolarHBondContact OD1-NZ 3.01Å
210	F	97	Very high	94.8	Very high	8 Å²	8	72.7 Å²	72.7	4%	0.035	38%	0.381	C	S	.	.	S	Bend	trans	-99.8	138.1	-178.3	-66.8	-96.4	0	0	0	109.8	L137 D205 S240 L246 M249	L137-F210 HydrophobicContact CB-CD1 3.82Å; L137-F210 HydrophobicContact CB-CE1 3.99Å; L137-F210 HydrophobicContact CD1-CE1 3.97Å; L137-F210 HydrophobicContact CD2-CD1 4.13Å; L137-F210 HydrophobicContact CD2-CE1 3.99Å; L137-F210 HydrophobicContact CG-CD1 4.4Å; L137-F210 HydrophobicContact CG-CE1 4.2Å; L137-F210 WeakPolarHBondContact O-CA 3.4Å; D205-F210 HydrophobicContact CB-CD2 4.02Å; D205-F210 HydrophobicContact CB-CE2 4.08Å; D205-F210 WeakPolarHBondContact O-CD2 3.16Å; D205-F210 PolarHBondContact O-N 3.29Å; D205-F210 VanDerWaalsContact O-N 3.14Å; F210-S240 VanDerWaalsContact O-CB 3.29Å; F210-S240 WeakPolarHBondContact O-CB 2.95Å; F210-L246 HydrophobicContact CB-CD1 4.31Å; F210-L246 HydrophobicContact CB-CD2 3.6Å; F210-L246 HydrophobicContact CD1-CD2 3.46Å; F210-L246 VanDerWaalsContact CD1-CD2 3.46Å; F210-L246 HydrophobicContact CD2-CD1 4.11Å; F210-L246 HydrophobicContact CD2-CD2 3.48Å; F210-L246 VanDerWaalsContact CD2-CD2 3.48Å; F210-L246 HydrophobicContact CD2-CG 4.24Å; F210-L246 HydrophobicContact CE1-CD2 3.88Å; F210-L246 HydrophobicContact CE2-CB 4.5Å; F210-L246 HydrophobicContact CE2-CD2 3.89Å; F210-L246 HydrophobicContact CG-CD1 4.38Å; F210-L246 HydrophobicContact CG-CD2 3.24Å; F210-L246 HydrophobicContact CG-CG 4.37Å; F210-L246 HydrophobicContact CZ-CD2 4.09Å; F210-M249 HydrophobicContact CE1-CB 4.07Å; F210-M249 HydrophobicContact CE1-CG 4.17Å; F210-M249 HydrophobicContact CZ-CB 3.76Å; F210-M249 HydrophobicContact CZ-CG 4.36Å
211	G	95	Very high	94.7	Very high	13 Å²	13	73.8 Å²	73.8	13%	0.134	39%	0.388	C	S	.	.			trans	-130.6	-167.4	-173.4	0	0	0	0	0	113.4	L137 H138 Y239 S240	L137-G211 PolarHBondContact O-N 2.98Å; H138-G211 WeakPolarHBondContact O-CA 3.39Å; G211-Y239 WeakPolarHBondContact O-CB 3.32Å; G211-Y239 WeakPolarHBondContact O-CD2 3.47Å; G211-S240 PolarHBondContact O-N 3.04Å
212	K	94.4	Very high	94.6	Very high	113 Å²	113	74.7 Å²	74.7	49%	0.491	39%	0.392	S	S	.	.			trans	-121.3	111.1	178.7	-177.8	178.6	178.4	167.9	0	109.4	S236 G237 A238	K212-S236 WeakPolarHBondContact CE-O 3.42Å; K212-S236 PolarHBondContact NZ-O 3.11Å; K212-G237 WeakPolarHBondContact CB-O 3.38Å; K212-A238 HydrophobicContact CG-CB 4.16Å
213	P	93.5	Very high	94.6	Very high	8 Å²	8	69.9 Å²	69.9	5%	0.052	38%	0.376	C	S	.	.			trans	-53.4	149.2	170.4	-25.4	29.1	0	0	0	112.9	S217 W218 Y239	P213-S217 WeakPolarHBondContact CB-OG 3.3Å; P213-W218 HydrophobicContact CB-CZ2 3.85Å; P213-W218 HydrophobicContact CG-CH2 3.89Å; P213-W218 HydrophobicContact CG-CZ2 3.61Å; P213-W218 PolarHBondContact O-NE1 3.14Å; P213-Y239 HydrophobicContact CG-CD2 4.4Å; P213-Y239 HydrophobicContact CG-CE2 3.77Å
214	P	93.6	Very high	94.6	Very high	73 Å²	73	61.4 Å²	61.4	47%	0.474	34%	0.344	S	S	.	.			trans	-52.6	145.2	175	-25.4	33.7	0	0	0	112.6	V141 D216 S217	V141-P214 HydrophobicContact CG1-CG 4.11Å; P214-D216 VanDerWaalsContact C-N 3.25Å; P214-D216 PolarHBondContact O-N 3.13Å; P214-S217 WeakPolarHBondContact O-CB 3.39Å; P214-S217 PolarHBondContact O-N 2.94Å; P214-S217 PolarHBondContact O-OG 2.72Å
215	A	91.8	Very high	94.4	Very high	80 Å²	80	63.2 Å²	63.2	66%	0.661	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-56.8	-36.8	-174.3	0	0	0	0	0	113.4	S217	A215-S217 VanDerWaalsContact C-N 3.26Å; A215-S217 PolarHBondContact O-N 2.85Å
216	D	91.8	Very high	94.2	Very high	151 Å²	151	65.1 Å²	65.1	81%	0.807	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-73.6	-19.2	-177.4	-53.7	-33	0	0	0	113	P214 W218	P214-D216 VanDerWaalsContact C-N 3.25Å; P214-D216 PolarHBondContact O-N 3.13Å; D216-W218 VanDerWaalsContact C-N 3.3Å; D216-W218 PolarHBondContact O-N 3.16Å
217	S	91.9	Very high	94.2	Very high	27 Å²	27	63.5 Å²	63.5	19%	0.189	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.8	-25.4	-175.5	70.7	0	0	0	0	113.5	V141 P213 P214 A215 A219	V141-S217 VanDerWaalsContact CG1-CB 3.4Å; P213-S217 WeakPolarHBondContact CB-OG 3.3Å; P214-S217 WeakPolarHBondContact O-CB 3.39Å; P214-S217 PolarHBondContact O-N 2.94Å; P214-S217 PolarHBondContact O-OG 2.72Å; A215-S217 VanDerWaalsContact C-N 3.26Å; A215-S217 PolarHBondContact O-N 2.85Å; S217-A219 VanDerWaalsContact C-N 3.28Å; S217-A219 PolarHBondContact O-N 2.86Å
218	W	93.1	Very high	94.1	Very high	34 Å²	34	64.3 Å²	64.3	13%	0.129	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-68.8	-24.1	-173	-63.2	99.7	0	0	0	113.5	A161 P213 D216 N220 T221 A231 L232 A238 Y239	A161-W218 HydrophobicContact CB-CE3 4.35Å; A161-W218 HydrophobicContact CB-CZ3 3.88Å; P213-W218 HydrophobicContact CB-CZ2 3.85Å; P213-W218 HydrophobicContact CG-CH2 3.89Å; P213-W218 HydrophobicContact CG-CZ2 3.61Å; P213-W218 PolarHBondContact O-NE1 3.14Å; D216-W218 VanDerWaalsContact C-N 3.3Å; D216-W218 PolarHBondContact O-N 3.16Å; W218-N220 PolarHBondContact O-N 3.12Å; W218-T221 WeakPolarHBondContact CA-OG1 3.5Å; W218-T221 PolarHBondContact O-N 3.25Å; W218-T221 PolarHBondContact O-OG1 3.47Å; W218-A231 HydrophobicContact CH2-CB 3.73Å; W218-A231 HydrophobicContact CZ3-CB 3.84Å; W218-L232 HydrophobicContact CB-CD1 4.25Å; W218-L232 HydrophobicContact CD2-CD1 3.81Å; W218-L232 HydrophobicContact CD2-CG 4.05Å; W218-L232 HydrophobicContact CG-CD1 3.64Å; W218-L232 HydrophobicContact CG-CG 4.39Å; W218-L232 HydrophobicContact CZ2-CD2 4.04Å; W218-L232 HydrophobicContact CZ2-CG 4.12Å; W218-A238 HydrophobicContact CH2-CB 3.84Å; W218-A238 HydrophobicContact CZ2-CB 3.57Å; W218-Y239 HydrophobicContact CH2-CE1 4.26Å; W218-Y239 HydrophobicContact CH2-CE2 4.23Å; W218-Y239 AromaticContact CH2-CZ 3.82Å
219	A	92.1	Very high	94.1	Very high	74 Å²	74	63.2 Å²	63.2	61%	0.612	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-58.9	-31.3	-178.5	0	0	0	0	0	113.5	S217	S217-A219 VanDerWaalsContact C-N 3.28Å; S217-A219 PolarHBondContact O-N 2.86Å
220	N	90.1	Very high	94	Very high	124 Å²	124	60.9 Å²	60.9	66%	0.663	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-96.3	11.8	179.9	-68	-29.7	0	0	0	113.4	V159 W218	V159-N220 PolarHBondContact N-O 2.96Å; W218-N220 PolarHBondContact O-N 3.12Å
221	T	95.2	Very high	94	Very high	34 Å²	34	60.6 Å²	60.6	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	162.3	-179.2	69.5	0	0	0	0	111.9	V159 A161 W218	V159-T221 CarbonylContact O-C 3.53Å; V159-T221 VanDerWaalsContact O-CA 3.23Å; V159-T221 WeakPolarHBondContact O-CA 3.43Å; A161-T221 HydrophobicContact CB-CG2 3.88Å; W218-T221 WeakPolarHBondContact CA-OG1 3.5Å; W218-T221 PolarHBondContact O-N 3.25Å; W218-T221 PolarHBondContact O-OG1 3.47Å
222	V	96.5	Very high	93.9	Very high	35 Å²	35	63.3 Å²	63.3	21%	0.212	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.6	170.5	-67.9	0	0	0	0	109.8	D154 K158 V159 Y160 A161	D154-V222 HydrophobicContact CB-CG2 3.83Å; K158-V222 HydrophobicContact CB-CG1 3.83Å; K158-V222 HydrophobicContact CB-CG2 4.11Å; K158-V222 HydrophobicContact CD-CG1 3.62Å; K158-V222 HydrophobicContact CG-CG1 4.36Å; V159-V222 PolarHBondContact O-N 3.23Å; Y160-V222 CarbonylContact C-O 3.57Å; Y160-V222 WeakPolarHBondContact CA-O 3.39Å; Y160-V222 HydrophobicContact CD1-CG2 3.69Å; Y160-V222 HydrophobicContact CE1-CG2 3.88Å; Y160-V222 HydrophobicContact CG-CG2 4.37Å; A161-V222 PolarHBondContact N-O 2.78Å
223	K	95.9	Very high	94	Very high	61 Å²	61	63.7 Å²	63.7	27%	0.265	36%	0.355	S	S	.	.			trans	-67.1	152.1	173.2	67.9	-173.7	172.5	110.5	0	110.6	Y93 Y160 L225 W227 K228	Y93-K223 PolarHBondContact OH-NZ 3.33Å; Y160-K223 WeakPolarHBondContact CD1-O 3.02Å; Y160-K223 WeakPolarHBondContact CE1-O 3.36Å; K223-L225 PolarHBondContact O-N 3.26Å; K223-W227 PolarHBondContact NZ-O 3.44Å; K223-K228 PolarHBondContact NZ-O 2.86Å
224	P	96.5	Very high	94.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.366	C	S	.	.			trans	-52	140.8	168.8	-26.1	35.2	0	0	0	111.5	P162 M168 S226 W227	P162-P224 WeakPolarHBondContact O-CG 3.42Å; M168-P224 HydrophobicContact CE-CB 3.8Å; M168-P224 HydrophobicContact SD-CB 3.7Å; P224-S226 PolarHBondContact O-N 3.26Å; P224-S226 VanDerWaalsContact O-N 3.16Å; P224-W227 HydrophobicContact CB-CB 4.45Å; P224-W227 HydrophobicContact CB-CD2 4.21Å; P224-W227 HydrophobicContact CB-CG 3.87Å; P224-W227 HydrophobicContact CG-CD2 3.8Å; P224-W227 HydrophobicContact CG-CE3 4.34Å; P224-W227 HydrophobicContact CG-CG 4Å; P224-W227 HydrophobicContact CG-CZ2 4.21Å; P224-W227 WeakPolarHBondContact O-CB 3.4Å; P224-W227 PolarHBondContact O-N 3.09Å
225	L	92.9	Very high	94.2	Very high	122 Å²	122	64.2 Å²	64.2	64%	0.639	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.5	-174.2	-178	65.3	0	0	0	112.8	Y93 M168 K223 W227	Y93-L225 WeakPolarHBondContact CE1-O 3.3Å; Y93-L225 PolarHBondContact OH-O 3.38Å; M168-L225 HydrophobicContact SD-CB 4.07Å; M168-L225 PolarHBondContact SD-N 2.8Å; M168-L225 VanDerWaalsContact SD-N 3.39Å; K223-L225 PolarHBondContact O-N 3.26Å; L225-W227 VanDerWaalsContact C-N 3.28Å; L225-W227 PolarHBondContact O-N 3.1Å
226	S	93.2	Very high	94.2	Very high	44 Å²	44	64.5 Å²	64.5	31%	0.308	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.3	179.3	59.9	0	0	0	0	114.4	M168 P224	M168-S226 VanDerWaalsContact O-CB 3.24Å; M168-S226 WeakPolarHBondContact O-CB 3.45Å; M168-S226 PolarHBondContact O-OG 2.96Å; P224-S226 PolarHBondContact O-N 3.26Å; P224-S226 VanDerWaalsContact O-N 3.16Å
227	W	95.6	Very high	94.3	Very high	10 Å²	10	57.4 Å²	57.4	4%	0.038	31%	0.308	C	S	.	.			trans	-83.9	130.5	-177.4	-72.1	22.7	0	0	0	110.1	Y93 P162 A167 L170 K223 P224 L225 K229 A231 L245	Y93-W227 VanDerWaalsContact CE1-O 3.27Å; Y93-W227 WeakPolarHBondContact CE1-O 3.29Å; Y93-W227 PolarHBondContact OH-O 3.28Å; P162-W227 HydrophobicContact CG-CH2 3.59Å; P162-W227 HydrophobicContact CG-CZ2 3.96Å; P162-W227 HydrophobicContact CG-CZ3 4.43Å; A167-W227 HydrophobicContact CB-CZ2 4.32Å; A167-W227 PolarHBondContact O-NE1 2.98Å; L170-W227 HydrophobicContact CB-CZ2 4.33Å; L170-W227 HydrophobicContact CD2-CD2 4.35Å; L170-W227 HydrophobicContact CD2-CH2 4.32Å; L170-W227 HydrophobicContact CD2-CZ2 3.67Å; K223-W227 PolarHBondContact NZ-O 3.44Å; P224-W227 HydrophobicContact CB-CB 4.45Å; P224-W227 HydrophobicContact CB-CD2 4.21Å; P224-W227 HydrophobicContact CB-CG 3.87Å; P224-W227 HydrophobicContact CG-CD2 3.8Å; P224-W227 HydrophobicContact CG-CE3 4.34Å; P224-W227 HydrophobicContact CG-CG 4Å; P224-W227 HydrophobicContact CG-CZ2 4.21Å; P224-W227 WeakPolarHBondContact O-CB 3.4Å; P224-W227 PolarHBondContact O-N 3.09Å; L225-W227 VanDerWaalsContact C-N 3.28Å; L225-W227 PolarHBondContact O-N 3.1Å; W227-K229 WeakPolarHBondContact CB-O 3.21Å; W227-A231 HydrophobicContact CZ3-CB 4.34Å; W227-L245 HydrophobicContact CH2-CD1 3.76Å; W227-L245 HydrophobicContact CH2-CD2 4Å; W227-L245 HydrophobicContact CH2-CG 4.46Å; W227-L245 HydrophobicContact CZ2-CD1 3.71Å
228	K	94.1	Very high	94.4	Very high	123 Å²	123	56.1 Å²	56.1	54%	0.535	30%	0.299	S	S	.	.	S	Bend	trans	-66.3	-45.6	172.2	-174.4	171.5	-178.9	170.2	0	111.4	Y93 K223	Y93-K228 HydrophobicContact CD1-CB 4.04Å; Y93-K228 HydrophobicContact CG-CB 4.15Å; Y93-K228 HydrophobicContact CG-CG 4.13Å; K223-K228 PolarHBondContact NZ-O 2.86Å
229	K	95.1	Very high	94.6	Very high	113 Å²	113	54.5 Å²	54.5	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-112.8	145.6	-177.4	-68.3	-177.7	179.4	-175.3	0	111.1	W227 E233 R234	W227-K229 WeakPolarHBondContact CB-O 3.21Å; K229-E233 HydrophobicContact CB-CB 3.79Å; K229-E233 HydrophobicContact CD-CB 4.32Å; K229-E233 HydrophobicContact CG-CB 4.23Å; K229-R234 HydrophobicContact CB-CG 3.89Å
230	S	95.5	Very high	94.7	Very high	32 Å²	32	52.2 Å²	52.2	22%	0.224	27%	0.273	C	S	.	.			trans	-66.6	167.6	169.7	65.1	0	0	0	0	112.3	L232 E233 R234	S230-L232 VanDerWaalsContact C-N 3.3Å; S230-L232 PolarHBondContact O-N 2.67Å; S230-E233 WeakPolarHBondContact CB-OE2 3.33Å; S230-E233 PolarHBondContact N-OE2 3.44Å; S230-E233 PolarHBondContact O-N 3.27Å; S230-E233 VanDerWaalsContact O-N 3.13Å; S230-E233 VanDerWaalsContact OG-CG 3.29Å; S230-E233 WeakPolarHBondContact OG-CG 3.47Å; S230-E233 PolarHBondContact OG-N 3.23Å; S230-E233 PolarHBondContact OG-OE2 2.93Å; S230-R234 WeakPolarHBondContact O-CG 3.22Å; S230-R234 PolarHBondContact O-N 3.28Å
231	A	95.9	Very high	95	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-42.2	179.3	0	0	0	0	0	112.8	W218 W227 R234 S235 A238 Y239	W218-A231 HydrophobicContact CH2-CB 3.73Å; W218-A231 HydrophobicContact CZ3-CB 3.84Å; W227-A231 HydrophobicContact CZ3-CB 4.34Å; A231-R234 PolarHBondContact O-N 2.76Å; A231-S235 PolarHBondContact O-N 2.97Å; A231-S235 VanDerWaalsContact O-N 3.1Å; A231-A238 HydrophobicContact CB-CB 4.47Å; A231-Y239 HydrophobicContact CB-CD1 4.12Å; A231-Y239 HydrophobicContact CB-CE1 3.59Å
232	L	94.2	Very high	95.1	Very high	71 Å²	71	49.1 Å²	49.1	37%	0.372	25%	0.253	S	S	.	.	H	α-helix	trans	-70.1	-29.7	177.8	-69	176	0	0	0	113.5	W218 S230 S235 A238	W218-L232 HydrophobicContact CB-CD1 4.25Å; W218-L232 HydrophobicContact CD2-CD1 3.81Å; W218-L232 HydrophobicContact CD2-CG 4.05Å; W218-L232 HydrophobicContact CG-CD1 3.64Å; W218-L232 HydrophobicContact CG-CG 4.39Å; W218-L232 HydrophobicContact CZ2-CD2 4.04Å; W218-L232 HydrophobicContact CZ2-CG 4.12Å; S230-L232 VanDerWaalsContact C-N 3.3Å; S230-L232 PolarHBondContact O-N 2.67Å; L232-S235 CarbonylContact C-O 3.34Å; L232-S235 WeakPolarHBondContact CA-O 3.5Å; L232-S235 CarbonylContact O-C 3.56Å; L232-A238 HydrophobicContact CD2-CB 4.08Å
233	E	95.3	Very high	95.1	Very high	120 Å²	120	48.4 Å²	48.4	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-79.5	-23.5	175.7	-71.6	171	126.4	0	0	112.7	K229 S230	K229-E233 HydrophobicContact CB-CB 3.79Å; K229-E233 HydrophobicContact CD-CB 4.32Å; K229-E233 HydrophobicContact CG-CB 4.23Å; S230-E233 WeakPolarHBondContact CB-OE2 3.33Å; S230-E233 PolarHBondContact N-OE2 3.44Å; S230-E233 PolarHBondContact O-N 3.27Å; S230-E233 VanDerWaalsContact O-N 3.13Å; S230-E233 VanDerWaalsContact OG-CG 3.29Å; S230-E233 WeakPolarHBondContact OG-CG 3.47Å; S230-E233 PolarHBondContact OG-N 3.23Å; S230-E233 PolarHBondContact OG-OE2 2.93Å
234	R	95.6	Very high	95.2	Very high	75 Å²	75	47.6 Å²	47.6	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-75.9	-39.6	172.5	-72.1	178.4	57.3	72.3	16.3	111	K229 S230 A231 D242 E244	K229-R234 HydrophobicContact CB-CG 3.89Å; S230-R234 WeakPolarHBondContact O-CG 3.22Å; S230-R234 PolarHBondContact O-N 3.28Å; A231-R234 PolarHBondContact O-N 2.76Å; R234-D242 IonicContact CZ-OD1 2.69Å; R234-D242 IonicContact CZ-OD2 2.62Å; R234-D242 VanDerWaalsContact CZ-OD2 3.27Å; R234-D242 IonicContact NE-OD1 3.13Å; R234-D242 IonicContact NE-OD2 3.87Å; R234-D242 PolarHBondContact NE-OD2 2.77Å; R234-D242 IonicContact NH2-OD1 2.92Å; R234-D242 PolarHBondContact NH2-OD1 3.19Å; R234-D242 IonicContact NH2-OD2 3.84Å; R234-D242 PolarHBondContact NH2-OD2 2.74Å; R234-E244 IonicContact CZ-OE2 3.99Å; R234-E244 IonicContact NH1-OE2 3.5Å; R234-E244 IonicContact NH2-OE2 3.33Å; R234-E244 PolarHBondContact NH2-OE2 3.26Å
235	S	95.4	Very high	95.3	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.119	24%	0.244	C	C	.	.			trans	-155.9	140.8	178.6	-169	0	0	0	0	112.8	A231 L232 G237 A238 E241	A231-S235 PolarHBondContact O-N 2.97Å; A231-S235 VanDerWaalsContact O-N 3.1Å; L232-S235 CarbonylContact C-O 3.34Å; L232-S235 WeakPolarHBondContact CA-O 3.5Å; L232-S235 CarbonylContact O-C 3.56Å; S235-G237 PolarHBondContact O-N 3.42Å; S235-A238 WeakPolarHBondContact O-CA 3.22Å; S235-A238 PolarHBondContact O-N 3.22Å; S235-E241 WeakPolarHBondContact OG-CB 3.41Å; S235-E241 PolarHBondContact OG-OE2 3.03Å
236	S	92.7	Very high	95.5	Very high	86 Å²	86	41.8 Å²	41.8	60%	0.601	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.4	176.3	38.6	0	0	0	0	113.3	K212 A238 E241	K212-S236 WeakPolarHBondContact CE-O 3.42Å; K212-S236 PolarHBondContact NZ-O 3.11Å; S236-A238 VanDerWaalsContact C-N 3.26Å; S236-A238 PolarHBondContact O-N 2.93Å; S236-E241 PolarHBondContact OG-OE2 3.11Å
237	G	93	Very high	95.8	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	7.6	174.1	0	0	0	0	0	114.7	K212 S235 Y239 S240 E241	K212-G237 WeakPolarHBondContact CB-O 3.38Å; S235-G237 PolarHBondContact O-N 3.42Å; G237-Y239 PolarHBondContact O-N 2.87Å; G237-S240 PolarHBondContact O-N 2.87Å; G237-S240 PolarHBondContact O-OG 3.28Å; G237-S240 VanDerWaalsContact O-OG 3.08Å; G237-E241 VanDerWaalsContact CA-CD 3.43Å; G237-E241 WeakPolarHBondContact CA-OE2 3.41Å; G237-E241 PolarHBondContact N-OE2 2.68Å
238	A	94.5	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-118.7	-169.4	0	0	0	0	0	111.3	K212 W218 A231 L232 S235 S236 D242	K212-A238 HydrophobicContact CG-CB 4.16Å; W218-A238 HydrophobicContact CH2-CB 3.84Å; W218-A238 HydrophobicContact CZ2-CB 3.57Å; A231-A238 HydrophobicContact CB-CB 4.47Å; L232-A238 HydrophobicContact CD2-CB 4.08Å; S235-A238 WeakPolarHBondContact O-CA 3.22Å; S235-A238 PolarHBondContact O-N 3.22Å; S236-A238 VanDerWaalsContact C-N 3.26Å; S236-A238 PolarHBondContact O-N 2.93Å; A238-D242 VanDerWaalsContact O-CB 3.32Å; A238-D242 WeakPolarHBondContact O-CB 3.47Å; A238-D242 PolarHBondContact O-N 3.14Å
239	Y	96.6	Very high	96.1	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-39.9	-173.4	-44.3	-50.3	0	0	0	112.8	L137 A161 P162 G211 P213 W218 A231 G237 E241 D242 L245 L246	L137-Y239 HydrophobicContact CD2-CD2 4.49Å; L137-Y239 HydrophobicContact CD2-CG 4.44Å; L137-Y239 WeakPolarHBondContact O-CD2 3.34Å; A161-Y239 VanDerWaalsContact C-OH 3.31Å; A161-Y239 WeakPolarHBondContact CB-OH 3.5Å; P162-Y239 HydrophobicContact CB-CE1 4.08Å; P162-Y239 HydrophobicContact CG-CD1 4.3Å; P162-Y239 HydrophobicContact CG-CE1 3.63Å; G211-Y239 WeakPolarHBondContact O-CB 3.32Å; G211-Y239 WeakPolarHBondContact O-CD2 3.47Å; P213-Y239 HydrophobicContact CG-CD2 4.4Å; P213-Y239 HydrophobicContact CG-CE2 3.77Å; W218-Y239 HydrophobicContact CH2-CE1 4.26Å; W218-Y239 HydrophobicContact CH2-CE2 4.23Å; W218-Y239 AromaticContact CH2-CZ 3.82Å; A231-Y239 HydrophobicContact CB-CD1 4.12Å; A231-Y239 HydrophobicContact CB-CE1 3.59Å; G237-Y239 PolarHBondContact O-N 2.87Å; Y239-E241 VanDerWaalsContact C-N 3.28Å; Y239-E241 PolarHBondContact O-N 2.68Å; Y239-D242 PolarHBondContact O-N 3.42Å; Y239-L245 HydrophobicContact CD1-CD2 3.56Å; Y239-L245 HydrophobicContact CE1-CD2 4.38Å; Y239-L245 HydrophobicContact CG-CD2 4.3Å; Y239-L246 VanDerWaalsContact O-CD2 3.24Å; Y239-L246 WeakPolarHBondContact O-CD2 3.35Å
240	S	94.6	Very high	96.2	Very high	26 Å²	26	33.7 Å²	33.7	18%	0.182	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.8	-173.7	60	0	0	0	0	113.7	F210 G211 G237	F210-S240 VanDerWaalsContact O-CB 3.29Å; F210-S240 WeakPolarHBondContact O-CB 2.95Å; G211-S240 PolarHBondContact O-N 3.04Å; G237-S240 PolarHBondContact O-N 2.87Å; G237-S240 PolarHBondContact O-OG 3.28Å; G237-S240 VanDerWaalsContact O-OG 3.08Å
241	E	96	Very high	96.3	Very high	83 Å²	83	34.3 Å²	34.3	39%	0.388	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.8	-179.7	-75.3	177.9	-169.7	0	0	114.1	K198 S235 S236 G237 Y239 E243	K198-E241 PolarHBondContact NZ-O 3.47Å; S235-E241 WeakPolarHBondContact OG-CB 3.41Å; S235-E241 PolarHBondContact OG-OE2 3.03Å; S236-E241 PolarHBondContact OG-OE2 3.11Å; G237-E241 VanDerWaalsContact CA-CD 3.43Å; G237-E241 WeakPolarHBondContact CA-OE2 3.41Å; G237-E241 PolarHBondContact N-OE2 2.68Å; Y239-E241 VanDerWaalsContact C-N 3.28Å; Y239-E241 PolarHBondContact O-N 2.68Å; E241-E243 PolarHBondContact O-N 3.1Å
242	D	97.4	Very high	96.4	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.053	18%	0.18	C	C	.	.			trans	-89.6	74.7	179.9	-173.8	-4.2	0	0	0	110.8	R234 A238 Y239 E244 L245 L246	R234-D242 IonicContact CZ-OD1 2.69Å; R234-D242 IonicContact CZ-OD2 2.62Å; R234-D242 VanDerWaalsContact CZ-OD2 3.27Å; R234-D242 IonicContact NE-OD1 3.13Å; R234-D242 IonicContact NE-OD2 3.87Å; R234-D242 PolarHBondContact NE-OD2 2.77Å; R234-D242 IonicContact NH2-OD1 2.92Å; R234-D242 PolarHBondContact NH2-OD1 3.19Å; R234-D242 IonicContact NH2-OD2 3.84Å; R234-D242 PolarHBondContact NH2-OD2 2.74Å; A238-D242 VanDerWaalsContact O-CB 3.32Å; A238-D242 WeakPolarHBondContact O-CB 3.47Å; A238-D242 PolarHBondContact O-N 3.14Å; Y239-D242 PolarHBondContact O-N 3.42Å; D242-E244 PolarHBondContact O-N 3.03Å; D242-E244 VanDerWaalsContact O-N 3.13Å; D242-L245 HydrophobicContact CB-CB 4.1Å; D242-L245 WeakPolarHBondContact O-CB 3.48Å; D242-L245 PolarHBondContact O-N 3.08Å; D242-L245 PolarHBondContact OD1-N 3.09Å; D242-L246 WeakPolarHBondContact O-CG 3.47Å; D242-L246 PolarHBondContact O-N 3.44Å; D242-L246 VanDerWaalsContact O-N 3.12Å
243	E	98.2	Very high	96.6	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.093	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-24.7	-175.5	-64.1	-168.1	-137.9	0	0	113.8	K198 G199 I200 A201 V206 E241 L246 V247	K198-E243 WeakPolarHBondContact CA-OE1 3.38Å; G199-E243 WeakPolarHBondContact CA-OE2 3.35Å; G199-E243 VanDerWaalsContact N-CD 3.29Å; G199-E243 PolarHBondContact N-OE1 3.12Å; G199-E243 PolarHBondContact N-OE2 2.95Å; I200-E243 HydrophobicContact CD1-CB 3.96Å; I200-E243 HydrophobicContact CG1-CB 3.49Å; I200-E243 VanDerWaalsContact CG1-CB 3.49Å; I200-E243 PolarHBondContact N-OE2 3.09Å; A201-E243 HydrophobicContact CB-CB 3.85Å; A201-E243 HydrophobicContact CB-CG 3.97Å; A201-E243 PolarHBondContact N-OE2 2.82Å; V206-E243 HydrophobicContact CG2-CG 4.1Å; E241-E243 PolarHBondContact O-N 3.1Å; E243-L246 PolarHBondContact O-N 3.26Å; E243-V247 VanDerWaalsContact O-CG2 3.3Å; E243-V247 WeakPolarHBondContact O-CG2 3.32Å; E243-V247 PolarHBondContact O-N 2.83Å
244	E	97.6	Very high	96.7	Very high	43 Å²	43	35.6 Å²	35.6	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-44.1	173.8	-61.2	-178.9	158.2	0	0	111.6	I200 R234 D242 L246 W248 R262	I200-E244 HydrophobicContact CD1-CG 4.26Å; R234-E244 IonicContact CZ-OE2 3.99Å; R234-E244 IonicContact NH1-OE2 3.5Å; R234-E244 IonicContact NH2-OE2 3.33Å; R234-E244 PolarHBondContact NH2-OE2 3.26Å; D242-E244 PolarHBondContact O-N 3.03Å; D242-E244 VanDerWaalsContact O-N 3.13Å; E244-L246 VanDerWaalsContact C-N 3.31Å; E244-W248 PolarHBondContact O-N 2.83Å; E244-R262 IonicContact OE1-CZ 3.7Å; E244-R262 IonicContact OE1-NH1 3.64Å; E244-R262 PolarHBondContact OE1-NH1 3.05Å; E244-R262 IonicContact OE1-NH2 3.08Å; E244-R262 PolarHBondContact OE1-NH2 3.13Å
245	L	97.8	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-45.9	172.9	175.3	66	0	0	0	109.6	P162 L170 W227 Y239 D242 V247 W248 M249	P162-L245 HydrophobicContact CG-CD2 4.43Å; L170-L245 HydrophobicContact CD1-CD1 4.33Å; L170-L245 HydrophobicContact CD2-CD1 4.36Å; W227-L245 HydrophobicContact CH2-CD1 3.76Å; W227-L245 HydrophobicContact CH2-CD2 4Å; W227-L245 HydrophobicContact CH2-CG 4.46Å; W227-L245 HydrophobicContact CZ2-CD1 3.71Å; Y239-L245 HydrophobicContact CD1-CD2 3.56Å; Y239-L245 HydrophobicContact CE1-CD2 4.38Å; Y239-L245 HydrophobicContact CG-CD2 4.3Å; D242-L245 HydrophobicContact CB-CB 4.1Å; D242-L245 WeakPolarHBondContact O-CB 3.48Å; D242-L245 PolarHBondContact O-N 3.08Å; D242-L245 PolarHBondContact OD1-N 3.09Å; L245-V247 PolarHBondContact O-N 2.82Å; L245-W248 WeakPolarHBondContact O-CB 3.23Å; L245-W248 PolarHBondContact O-N 3.27Å; L245-W248 VanDerWaalsContact O-N 3.08Å; L245-M249 HydrophobicContact CD1-CG 3.75Å; L245-M249 HydrophobicContact CD1-SD 4.1Å; L245-M249 HydrophobicContact CG-CG 4.01Å; L245-M249 WeakPolarHBondContact O-CB 3.41Å; L245-M249 VanDerWaalsContact O-CG 3.23Å; L245-M249 WeakPolarHBondContact O-CG 3.34Å; L245-M249 PolarHBondContact O-N 3.38Å
246	L	98.1	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-44.6	-177.8	-53.7	-161.7	0	0	0	111.9	A201 D205 V206 F210 Y239 D242 E243 E244 W248 M249 R250	A201-L246 HydrophobicContact CB-CB 3.88Å; A201-L246 HydrophobicContact CB-CD1 4.2Å; D205-L246 HydrophobicContact CB-CB 4.46Å; D205-L246 HydrophobicContact CB-CD1 4.09Å; V206-L246 HydrophobicContact CB-CD1 4.49Å; V206-L246 HydrophobicContact CG2-CD1 3.87Å; F210-L246 HydrophobicContact CB-CD1 4.31Å; F210-L246 HydrophobicContact CB-CD2 3.6Å; F210-L246 HydrophobicContact CD1-CD2 3.46Å; F210-L246 VanDerWaalsContact CD1-CD2 3.46Å; F210-L246 HydrophobicContact CD2-CD1 4.11Å; F210-L246 HydrophobicContact CD2-CD2 3.48Å; F210-L246 VanDerWaalsContact CD2-CD2 3.48Å; F210-L246 HydrophobicContact CD2-CG 4.24Å; F210-L246 HydrophobicContact CE1-CD2 3.88Å; F210-L246 HydrophobicContact CE2-CB 4.5Å; F210-L246 HydrophobicContact CE2-CD2 3.89Å; F210-L246 HydrophobicContact CG-CD1 4.38Å; F210-L246 HydrophobicContact CG-CD2 3.24Å; F210-L246 HydrophobicContact CG-CG 4.37Å; F210-L246 HydrophobicContact CZ-CD2 4.09Å; Y239-L246 VanDerWaalsContact O-CD2 3.24Å; Y239-L246 WeakPolarHBondContact O-CD2 3.35Å; D242-L246 WeakPolarHBondContact O-CG 3.47Å; D242-L246 PolarHBondContact O-N 3.44Å; D242-L246 VanDerWaalsContact O-N 3.12Å; E243-L246 PolarHBondContact O-N 3.26Å; E244-L246 VanDerWaalsContact C-N 3.31Å; L246-W248 VanDerWaalsContact C-N 3.3Å; L246-W248 PolarHBondContact O-N 2.92Å; L246-M249 PolarHBondContact O-N 3.27Å; L246-R250 PolarHBondContact O-N 3.45Å
247	V	98.5	Very high	97.2	Very high	18 Å²	18	33 Å²	33	11%	0.109	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-39.7	174.5	171.4	0	0	0	0	111.2	I200 A201 E243 L245 K259 L260	I200-V247 HydrophobicContact CB-CG2 4.41Å; I200-V247 HydrophobicContact CD1-CG2 4.34Å; I200-V247 HydrophobicContact CG1-CG2 4.05Å; I200-V247 WeakPolarHBondContact O-CG2 3.28Å; A201-V247 HydrophobicContact CB-CG2 4.29Å; E243-V247 VanDerWaalsContact O-CG2 3.3Å; E243-V247 WeakPolarHBondContact O-CG2 3.32Å; E243-V247 PolarHBondContact O-N 2.83Å; L245-V247 PolarHBondContact O-N 2.82Å; V247-K259 HydrophobicContact CG1-CB 3.79Å; V247-K259 HydrophobicContact CG1-CD 4.33Å; V247-K259 HydrophobicContact CG1-CG 4.08Å; V247-K259 PolarHBondContact O-NZ 3.4Å; V247-L260 WeakPolarHBondContact CG1-O 3.41Å
248	W	98.4	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-47	177.2	-177.5	-104.5	0	0	0	112.7	Y116 L118 F121 Q123 Y128 I166 S169 L170 F171 E244 L245 L246 R250 F257 K259 Y287	Y116-W248 HydrophobicContact CE2-CE3 4.35Å; Y116-W248 HydrophobicContact CE2-CZ3 4.17Å; L118-W248 HydrophobicContact CD1-CH2 3.99Å; L118-W248 HydrophobicContact CD1-CZ3 3.98Å; F121-W248 HydrophobicContact CE1-CH2 4.2Å; F121-W248 HydrophobicContact CE1-CZ2 4.2Å; F121-W248 HydrophobicContact CE2-CH2 4.49Å; F121-W248 HydrophobicContact CZ-CH2 4.05Å; F121-W248 AromaticContact CZ-CZ2 3.97Å; F121-W248 HydrophobicContact CZ-CZ2 3.97Å; Q123-W248 VanDerWaalsContact NE2-CH2 3.34Å; Y128-W248 WeakPolarHBondContact OH-CZ2 3.41Å; I166-W248 PolarHBondContact O-NE1 3.5Å; S169-W248 WeakPolarHBondContact O-CZ2 3.03Å; L170-W248 HydrophobicContact CD1-CB 3.37Å; L170-W248 HydrophobicContact CD1-CD2 4.22Å; L170-W248 HydrophobicContact CD1-CG 3.42Å; L170-W248 VanDerWaalsContact CD1-CG 3.42Å; F171-W248 HydrophobicContact CB-CD2 4.48Å; F171-W248 HydrophobicContact CB-CE3 3.78Å; F171-W248 HydrophobicContact CB-CH2 4.31Å; F171-W248 HydrophobicContact CB-CZ3 3.68Å; E244-W248 PolarHBondContact O-N 2.83Å; L245-W248 WeakPolarHBondContact O-CB 3.23Å; L245-W248 PolarHBondContact O-N 3.27Å; L245-W248 VanDerWaalsContact O-N 3.08Å; L246-W248 VanDerWaalsContact C-N 3.3Å; L246-W248 PolarHBondContact O-N 2.92Å; W248-R250 PolarHBondContact O-N 3.26Å; W248-R250 VanDerWaalsContact O-N 3.14Å; W248-F257 HydrophobicContact CH2-CZ 4.44Å; W248-F257 HydrophobicContact CZ3-CE2 4.29Å; W248-F257 HydrophobicContact CZ3-CZ 4.32Å; W248-K259 HydrophobicContact CE3-CD 3.59Å; W248-K259 HydrophobicContact CZ3-CD 4.05Å; W248-K259 PolarHBondContact O-NZ 3.28Å; W248-K259 VanDerWaalsContact O-NZ 3.11Å; W248-Y287 WeakPolarHBondContact CH2-OH 3.46Å
249	M	98	Very high	97.6	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-20.5	-177.5	-68.8	-55.3	-67.3	0	0	113.2	K132 L137 I166 A167 F210 L245 L246 V251	K132-M249 HydrophobicContact CB-CE 3.99Å; K132-M249 HydrophobicContact CD-CE 4.27Å; L137-M249 HydrophobicContact CD1-CE 3.6Å; L137-M249 HydrophobicContact CD2-CE 4.4Å; I166-M249 HydrophobicContact CB-CE 3.99Å; I166-M249 HydrophobicContact CB-SD 3.98Å; I166-M249 HydrophobicContact CG2-CE 3.93Å; I166-M249 HydrophobicContact CG2-SD 3.49Å; I166-M249 WeakPolarHBondContact CG2-SD 3.46Å; A167-M249 HydrophobicContact CB-SD 4.26Å; F210-M249 HydrophobicContact CE1-CB 4.07Å; F210-M249 HydrophobicContact CE1-CG 4.17Å; F210-M249 HydrophobicContact CZ-CB 3.76Å; F210-M249 HydrophobicContact CZ-CG 4.36Å; L245-M249 HydrophobicContact CD1-CG 3.75Å; L245-M249 HydrophobicContact CD1-SD 4.1Å; L245-M249 HydrophobicContact CG-CG 4.01Å; L245-M249 WeakPolarHBondContact O-CB 3.41Å; L245-M249 VanDerWaalsContact O-CG 3.23Å; L245-M249 WeakPolarHBondContact O-CG 3.34Å; L245-M249 PolarHBondContact O-N 3.38Å; L246-M249 PolarHBondContact O-N 3.27Å; M249-V251 PolarHBondContact O-N 3.14Å; M249-V251 VanDerWaalsContact O-N 3.09Å
250	R	97.6	Very high	97.7	Very high	97 Å²	97	39.1 Å²	39.1	37%	0.366	21%	0.21	S	C	.	.	S	Bend	trans	-74.9	91.5	168	-172.1	173.2	-74.4	-118.7	-0.1	110.8	D205 L246 W248 S252 K259	D205-R250 IonicContact OD1-NH2 2.94Å; D205-R250 PolarHBondContact OD1-NH2 3.33Å; D205-R250 VanDerWaalsContact OD1-NH2 3.14Å; D205-R250 IonicContact OD2-CZ 3.26Å; D205-R250 IonicContact OD2-NE 3.74Å; D205-R250 PolarHBondContact OD2-NE 3.42Å; D205-R250 VanDerWaalsContact OD2-NE 3.13Å; D205-R250 IonicContact OD2-NH2 2.7Å; D205-R250 PolarHBondContact OD2-NH2 3.32Å; L246-R250 PolarHBondContact O-N 3.45Å; W248-R250 PolarHBondContact O-N 3.26Å; W248-R250 VanDerWaalsContact O-N 3.14Å; R250-S252 PolarHBondContact O-N 3.08Å; R250-K259 PolarHBondContact O-NZ 3.07Å
251	V	97.5	Very high	97.9	Very high	45 Å²	45	38.6 Å²	38.6	27%	0.273	20%	0.204	S	C	.	.			trans	-49.3	131	178.1	167.1	0	0	0	0	112.5	Q123 V129 I166 M249	Q123-V251 HydrophobicContact CB-CG1 3.95Å; Q123-V251 WeakPolarHBondContact O-CG1 3.47Å; V129-V251 HydrophobicContact CG2-CG1 3.95Å; I166-V251 HydrophobicContact CD1-CG2 3.77Å; M249-V251 PolarHBondContact O-N 3.14Å; M249-V251 VanDerWaalsContact O-N 3.09Å
252	S	98	Very high	98	Very high	20 Å²	20	36.2 Å²	36.2	14%	0.14	19%	0.191	C	C	.	.			trans	-80.6	141.4	172.1	-63.9	0	0	0	0	112.3	R250 F257	R250-S252 PolarHBondContact O-N 3.08Å; S252-F257 VanDerWaalsContact CB-CG 3.49Å; S252-F257 WeakPolarHBondContact OG-CB 3.37Å; S252-F257 WeakPolarHBondContact OG-CD2 3.49Å; S252-F257 VanDerWaalsContact OG-CG 3.29Å; S252-F257 WeakPolarHBondContact OG-CG 3.31Å
253	A	97.6	Very high	98	Very high	81 Å²	81	37 Å²	37	67%	0.669	20%	0.196	S	C	*	.	S	Bend	trans	-75.4	-21.1	-176.7	0	0	0	0	0	114.3	N124	N124-A253 PolarHBondContact ND2-O 3.32Å
254	L	97.6	Very high	98	Very high	119 Å²	119	36.1 Å²	36.1	62%	0.623	19%	0.191	S	C	*	.	S	Bend	trans	-121.4	152.8	-176.2	-63.2	176	0	0	0	110.5	T256 F257	L254-T256 PolarHBondContact O-N 3.27Å; L254-F257 WeakPolarHBondContact O-CD1 3.29Å
255	P	97.8	Very high	98	Very high	36 Å²	36	36.4 Å²	36.4	23%	0.234	20%	0.196	C	C	.	.	S	Bend	trans	-69.3	-19.9	179.4	27.7	-35.6	0	0	0	113.9	S119 N120 F121 F122	S119-P255 CarbonylContact C-O 3.6Å; N120-P255 PolarHBondContact N-O 3.15Å; F121-P255 PolarHBondContact N-O 3.29Å; F121-P255 WeakPolarHBondContact O-CA 3.49Å; F122-P255 HydrophobicContact CD1-CB 3.75Å; F122-P255 HydrophobicContact CD1-CG 4.37Å; F122-P255 HydrophobicContact CD2-CB 4.48Å; F122-P255 HydrophobicContact CE1-CB 3.66Å; F122-P255 HydrophobicContact CE1-CG 3.97Å; F122-P255 HydrophobicContact CE2-CB 4.4Å; F122-P255 HydrophobicContact CG-CB 4.17Å; F122-P255 HydrophobicContact CZ-CB 4Å; F122-P255 HydrophobicContact CZ-CG 4.47Å
256	T	98.2	Very high	97.9	Very high	71 Å²	71	39.3 Å²	39.3	44%	0.436	21%	0.21	S	C	.	.	S	Bend	trans	-109.8	112.9	172.5	-62.2	0	0	0	0	107.9	L118 L254	L118-T256 WeakPolarHBondContact O-CA 3.24Å; L254-T256 PolarHBondContact O-N 3.27Å
257	F	98.2	Very high	97.8	Very high	16 Å²	16	42.2 Å²	42.2	7%	0.07	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	172.7	-175.1	60.5	-95	0	0	0	111.5	G117 L118 F121 Q123 W248 S252 L254 K259 R297	G117-F257 VanDerWaalsContact CA-O 3.23Å; G117-F257 WeakPolarHBondContact CA-O 3.29Å; L118-F257 HydrophobicContact CB-CE1 4.29Å; L118-F257 HydrophobicContact CB-CE2 4.16Å; L118-F257 HydrophobicContact CB-CZ 3.95Å; L118-F257 HydrophobicContact CD1-CE2 4.09Å; L118-F257 HydrophobicContact CD1-CZ 3.81Å; L118-F257 HydrophobicContact CG-CE2 4.32Å; L118-F257 HydrophobicContact CG-CZ 4.3Å; L118-F257 PolarHBondContact N-O 2.93Å; L118-F257 VanDerWaalsContact N-O 3.07Å; L118-F257 PolarHBondContact O-N 2.85Å; F121-F257 HydrophobicContact CB-CE1 3.85Å; F121-F257 HydrophobicContact CB-CZ 4.32Å; F121-F257 AromaticContact CD1-CE1 3.94Å; F121-F257 HydrophobicContact CD1-CE1 3.94Å; F121-F257 HydrophobicContact CD1-CZ 4.06Å; F121-F257 HydrophobicContact CG-CE1 4.19Å; F121-F257 HydrophobicContact CG-CZ 4.31Å; F121-F257 WeakPolarHBondContact O-CE1 3.42Å; Q123-F257 HydrophobicContact CG-CE1 3.75Å; Q123-F257 HydrophobicContact CG-CZ 3.87Å; W248-F257 HydrophobicContact CH2-CZ 4.44Å; W248-F257 HydrophobicContact CZ3-CE2 4.29Å; W248-F257 HydrophobicContact CZ3-CZ 4.32Å; S252-F257 VanDerWaalsContact CB-CG 3.49Å; S252-F257 WeakPolarHBondContact OG-CB 3.37Å; S252-F257 WeakPolarHBondContact OG-CD2 3.49Å; S252-F257 VanDerWaalsContact OG-CG 3.29Å; S252-F257 WeakPolarHBondContact OG-CG 3.31Å; L254-F257 WeakPolarHBondContact O-CD1 3.29Å; F257-K259 HydrophobicContact CD2-CD 4.29Å; F257-K259 HydrophobicContact CD2-CG 4.02Å; F257-K259 HydrophobicContact CE2-CD 3.88Å; F257-K259 HydrophobicContact CE2-CG 4.11Å; F257-R297 PolarHBondContact O-NH2 3.32Å; F257-R297 VanDerWaalsContact O-NH2 3.13Å
258	R	98	Very high	97.6	Very high	96 Å²	96	48.2 Å²	48.2	36%	0.362	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.4	168.8	64.1	177.2	76.6	-177.2	-1.6	109	E63 Y115 Y116 I299	E63-R258 IonicContact OE1-CZ 2.67Å; E63-R258 IonicContact OE1-NH1 3.27Å; E63-R258 IonicContact OE1-NH2 3.27Å; E63-R258 PolarHBondContact OE1-NH2 3.22Å; E63-R258 IonicContact OE2-CZ 2.68Å; E63-R258 IonicContact OE2-NH1 2.98Å; E63-R258 PolarHBondContact OE2-NH1 3.28Å; E63-R258 IonicContact OE2-NH2 3.8Å; E63-R258 PolarHBondContact OE2-NH2 3.39Å; Y115-R258 HydrophobicContact CD1-CG 4.35Å; Y116-R258 CarbonylContact O-C 3.55Å; Y116-R258 VanDerWaalsContact O-CA 3.24Å; Y116-R258 WeakPolarHBondContact O-CA 3.3Å; R258-I299 HydrophobicContact CB-CD1 3.78Å
259	K	98.5	Very high	97.4	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.2	178.7	-80.4	180	-176.3	-67.9	0	109.2	Y115 Y116 V247 W248 R250 F257 Y261	Y115-K259 WeakPolarHBondContact CA-O 3.35Å; Y115-K259 WeakPolarHBondContact CB-O 3.45Å; Y116-K259 HydrophobicContact CD2-CB 4.29Å; Y116-K259 HydrophobicContact CE1-CB 3.96Å; Y116-K259 HydrophobicContact CE2-CB 3.59Å; Y116-K259 HydrophobicContact CE2-CD 3.91Å; Y116-K259 HydrophobicContact CE2-CG 4.24Å; Y116-K259 PolarHBondContact N-O 2.76Å; Y116-K259 VanDerWaalsContact N-O 3.1Å; Y116-K259 PolarHBondContact O-N 3.36Å; Y116-K259 WeakPolarHBondContact OH-CB 3.5Å; Y116-K259 WeakPolarHBondContact OH-CD 3.46Å; V247-K259 HydrophobicContact CG1-CB 3.79Å; V247-K259 HydrophobicContact CG1-CD 4.33Å; V247-K259 HydrophobicContact CG1-CG 4.08Å; V247-K259 PolarHBondContact O-NZ 3.4Å; W248-K259 HydrophobicContact CE3-CD 3.59Å; W248-K259 HydrophobicContact CZ3-CD 4.05Å; W248-K259 PolarHBondContact O-NZ 3.28Å; W248-K259 VanDerWaalsContact O-NZ 3.11Å; R250-K259 PolarHBondContact O-NZ 3.07Å; F257-K259 HydrophobicContact CD2-CD 4.29Å; F257-K259 HydrophobicContact CD2-CG 4.02Å; F257-K259 HydrophobicContact CE2-CD 3.88Å; F257-K259 HydrophobicContact CE2-CG 4.11Å; K259-Y261 PolarHBondContact O-N 2.9Å
260	L	98.4	Very high	97.3	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.141	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.1	-178	-175.9	58.1	0	0	0	108.9	Y113 Y115 I200 V247 R262 L263	Y113-L260 HydrophobicContact CD1-CD1 3.91Å; Y113-L260 HydrophobicContact CD1-CD2 4.26Å; Y113-L260 HydrophobicContact CG-CD1 4.4Å; Y115-L260 VanDerWaalsContact CD1-CA 3.47Å; Y115-L260 HydrophobicContact CD1-CB 3.99Å; Y115-L260 HydrophobicContact CD1-CD1 4.07Å; Y115-L260 HydrophobicContact CE1-CB 3.78Å; Y115-L260 HydrophobicContact CE1-CD1 3.67Å; Y115-L260 HydrophobicContact CE1-CG 4.26Å; Y115-L260 HydrophobicContact CE2-CD1 4.47Å; I200-L260 HydrophobicContact CB-CD2 3.75Å; I200-L260 HydrophobicContact CB-CG 3.87Å; I200-L260 HydrophobicContact CG2-CD2 3.94Å; I200-L260 HydrophobicContact CG2-CG 3.92Å; V247-L260 WeakPolarHBondContact CG1-O 3.41Å; L260-R262 WeakPolarHBondContact CD1-O 3.17Å; L260-L263 HydrophobicContact CD1-CD2 4.24Å; L260-L263 HydrophobicContact CD2-CD2 4Å
261	Y	98.6	Very high	97.3	Very high	15 Å²	15	49 Å²	49	6%	0.059	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-52.8	178.4	-177.1	-119.7	0	0	0	110.2	F114 Y116 F175 I200 K259	F114-Y261 AromaticContact CD1-CD1 3.72Å; F114-Y261 HydrophobicContact CD1-CD1 3.72Å; F114-Y261 HydrophobicContact CD1-CG 4.24Å; F114-Y261 AromaticContact CE1-CD1 3.89Å; F114-Y261 HydrophobicContact CE1-CD1 3.89Å; F114-Y261 HydrophobicContact CG-CD1 4.31Å; F114-Y261 WeakPolarHBondContact O-CA 3.46Å; F114-Y261 VanDerWaalsContact O-CB 3.31Å; F114-Y261 WeakPolarHBondContact O-CB 3.48Å; F114-Y261 PolarHBondContact O-N 3.09Å; Y116-Y261 HydrophobicContact CD1-CD2 4.16Å; Y116-Y261 HydrophobicContact CD1-CG 4.33Å; Y116-Y261 HydrophobicContact CE1-CD2 4.32Å; F175-Y261 HydrophobicContact CB-CD1 4.43Å; F175-Y261 HydrophobicContact CB-CE1 3.86Å; F175-Y261 AromaticContact CD2-CD1 3.67Å; F175-Y261 HydrophobicContact CD2-CD1 3.67Å; F175-Y261 HydrophobicContact CD2-CD2 4.42Å; F175-Y261 AromaticContact CD2-CE1 3.48Å; F175-Y261 HydrophobicContact CD2-CE1 3.48Å; F175-Y261 VanDerWaalsContact CD2-CE1 3.48Å; F175-Y261 HydrophobicContact CD2-CE2 4.2Å; F175-Y261 HydrophobicContact CD2-CG 4.18Å; F175-Y261 AromaticContact CD2-CZ 3.74Å; F175-Y261 HydrophobicContact CE2-CD1 4.46Å; F175-Y261 HydrophobicContact CG-CD1 4.49Å; F175-Y261 HydrophobicContact CG-CE1 4.16Å; F175-Y261 PolarHBondContact N-OH 3.17Å; I200-Y261 WeakPolarHBondContact CD1-O 3.35Å; K259-Y261 PolarHBondContact O-N 2.9Å
262	R	98.4	Very high	97.1	Very high	32 Å²	32	53 Å²	53	12%	0.121	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.1	-176.9	-59.9	-70	-180	-94.8	3.6	111.8	F114 M195 T196 E244 L260	F114-R262 HydrophobicContact CB-CB 4.15Å; F114-R262 PolarHBondContact N-O 3.02Å; F114-R262 PolarHBondContact O-N 2.89Å; F114-R262 VanDerWaalsContact O-N 3.11Å; M195-R262 HydrophobicContact CB-CB 3.88Å; M195-R262 HydrophobicContact CB-CG 4.05Å; M195-R262 HydrophobicContact CG-CB 4.46Å; M195-R262 HydrophobicContact SD-CB 4.23Å; M195-R262 HydrophobicContact SD-CG 4.42Å; T196-R262 VanDerWaalsContact O-CA 3.25Å; T196-R262 WeakPolarHBondContact O-CA 3.47Å; T196-R262 WeakPolarHBondContact O-CB 3.29Å; T196-R262 WeakPolarHBondContact O-CD 3.12Å; E244-R262 IonicContact OE1-CZ 3.7Å; E244-R262 IonicContact OE1-NH1 3.64Å; E244-R262 PolarHBondContact OE1-NH1 3.05Å; E244-R262 IonicContact OE1-NH2 3.08Å; E244-R262 PolarHBondContact OE1-NH2 3.13Å; L260-R262 WeakPolarHBondContact CD1-O 3.17Å
263	L	98.1	Very high	97.1	Very high	28 Å²	28	52.1 Å²	52.1	15%	0.147	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.7	161.4	-54.6	178.6	0	0	0	108.8	Y113 M195 T196 I200 L260 T265	Y113-L263 HydrophobicContact CD1-CD2 3.23Å; Y113-L263 HydrophobicContact CE1-CD2 3.45Å; Y113-L263 VanDerWaalsContact CE1-CD2 3.45Å; Y113-L263 HydrophobicContact CG-CD2 4.23Å; M195-L263 CarbonylContact C-O 3.47Å; M195-L263 VanDerWaalsContact CA-O 3.29Å; M195-L263 WeakPolarHBondContact CA-O 3.47Å; T196-L263 HydrophobicContact CG2-CB 3.85Å; T196-L263 PolarHBondContact N-O 3.37Å; T196-L263 PolarHBondContact O-N 3.28Å; I200-L263 HydrophobicContact CG2-CG 4.04Å; L260-L263 HydrophobicContact CD1-CD2 4.24Å; L260-L263 HydrophobicContact CD2-CD2 4Å; L263-T265 PolarHBondContact O-N 3.12Å
264	I	98.2	Very high	97.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.7	169.4	-56.4	-49.9	0	0	0	108.3	Q111 V112 L177 V193 M195 H266 L274 L300	Q111-I264 PolarHBondContact NE2-O 3.5Å; V112-I264 HydrophobicContact CB-CB 4.07Å; V112-I264 HydrophobicContact CB-CG1 3.63Å; V112-I264 HydrophobicContact CG1-CG1 3.8Å; V112-I264 WeakPolarHBondContact O-CG1 3.43Å; V112-I264 PolarHBondContact O-N 2.81Å; L177-I264 HydrophobicContact CD2-CD1 4.12Å; V193-I264 HydrophobicContact CG1-CD1 4.04Å; V193-I264 HydrophobicContact CG1-CG2 3.8Å; M195-I264 HydrophobicContact CG-CD1 3.56Å; M195-I264 HydrophobicContact SD-CD1 3.7Å; I264-H266 PolarHBondContact O-CD2 3.45Å; I264-L274 HydrophobicContact CG1-CD1 4.46Å; I264-L274 HydrophobicContact CG1-CD2 4.45Å; I264-L274 HydrophobicContact CG2-CD2 3.92Å; I264-L300 HydrophobicContact CD1-CD2 4.45Å
265	T	97.4	Very high	97.1	Very high	49 Å²	49	44.2 Å²	44.2	30%	0.301	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-87.7	125.3	177.3	-53.7	0	0	0	0	109.4	P194 L263 V267	P194-T265 PolarHBondContact O-N 2.8Å; L263-T265 PolarHBondContact O-N 3.12Å; T265-V267 HydrophobicContact CG2-CG1 4.18Å; T265-V267 PolarHBondContact O-N 3.17Å; T265-V267 VanDerWaalsContact O-N 3.13Å
266	H	94.9	Very high	97	Very high	61 Å²	61	43.7 Å²	43.7	28%	0.282	24%	0.243	S	C	.	.			trans	-87.3	87.8	-173.8	-68.2	-176.9	0	0	0	111.8	G110 I264 F270	G110-H266 PolarHBondContact O-CE1 2.82Å; G110-H266 PolarHBondContact O-NE2 2.94Å; I264-H266 PolarHBondContact O-CD2 3.45Å; H266-F270 VanDerWaalsContact CA-O 3.32Å; H266-F270 WeakPolarHBondContact CA-O 3.3Å
267	V	95.4	Very high	97	Very high	60 Å²	60	40.4 Å²	40.4	36%	0.364	22%	0.224	S	C	.	.			trans	-136	153.1	176.6	-65.5	0	0	0	0	110.6	P194 T265 A269 F270	P194-V267 HydrophobicContact CB-CG2 4.17Å; P194-V267 HydrophobicContact CG-CG2 3.39Å; T265-V267 HydrophobicContact CG2-CG1 4.18Å; T265-V267 PolarHBondContact O-N 3.17Å; T265-V267 VanDerWaalsContact O-N 3.13Å; V267-A269 PolarHBondContact O-N 3.22Å; V267-F270 PolarHBondContact O-N 3.03Å
268	N	94.6	Very high	97	Very high	144 Å²	144	41.7 Å²	41.7	77%	0.77	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	52.2	-126	176	-53.6	-36.3	0	0	0	112	F270 S271	N268-F270 PolarHBondContact O-N 3.15Å; N268-S271 WeakPolarHBondContact O-CB 3.29Å; N268-S271 PolarHBondContact O-N 3.28Å
269	A	94.6	Very high	97	Very high	53 Å²	53	37.1 Å²	37.1	44%	0.438	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-60.8	-12.4	178.9	0	0	0	0	0	114.4	L191 V267 P275	L191-A269 HydrophobicContact CD1-CB 4.03Å; V267-A269 PolarHBondContact O-N 3.22Å; A269-P275 WeakPolarHBondContact O-CG 3.14Å
270	F	96.8	Very high	97	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.031	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-111.1	16.2	-178.3	-47.5	-68.7	0	0	0	112.9	Y179 L191 V193 P194 H266 V267 N268 N272 G273 L274	Y179-F270 HydrophobicContact CD1-CE1 4.34Å; Y179-F270 HydrophobicContact CG-CE1 4.24Å; L191-F270 HydrophobicContact CB-CE2 4.43Å; L191-F270 HydrophobicContact CB-CZ 4.11Å; V193-F270 HydrophobicContact CB-CE2 4.43Å; V193-F270 HydrophobicContact CB-CZ 4.34Å; V193-F270 HydrophobicContact CG1-CG 4.48Å; V193-F270 HydrophobicContact CG2-CE1 3.85Å; V193-F270 HydrophobicContact CG2-CE2 4.25Å; V193-F270 HydrophobicContact CG2-CZ 3.68Å; P194-F270 HydrophobicContact CG-CD2 4.17Å; H266-F270 VanDerWaalsContact CA-O 3.32Å; H266-F270 WeakPolarHBondContact CA-O 3.3Å; V267-F270 PolarHBondContact O-N 3.03Å; N268-F270 PolarHBondContact O-N 3.15Å; F270-N272 PolarHBondContact O-N 3.38Å; F270-G273 CarbonylContact C-O 3.53Å; F270-G273 WeakPolarHBondContact CA-O 3.11Å; F270-G273 PolarHBondContact O-N 3.02Å; F270-L274 HydrophobicContact CD1-CD2 3.97Å; F270-L274 HydrophobicContact CE1-CD2 4.49Å
271	S	96	Very high	97	Very high	60 Å²	60	35.5 Å²	35.5	42%	0.42	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30	-176.1	65.5	0	0	0	0	114.1	N268	N268-S271 WeakPolarHBondContact O-CB 3.29Å; N268-S271 PolarHBondContact O-N 3.28Å
272	N	95	Very high	97	Very high	127 Å²	127	38.2 Å²	38.2	68%	0.679	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	9.8	-178.2	-65	-32	0	0	0	113.4	G110 F270	G110-N272 PolarHBondContact N-O 2.84Å; G110-N272 VanDerWaalsContact N-O 3.13Å; F270-N272 PolarHBondContact O-N 3.38Å
273	G	96.4	Very high	97	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-148.3	-173.6	0	0	0	0	0	111.9	F108 F270	F108-G273 CarbonylContact O-C 3.53Å; F108-G273 VanDerWaalsContact O-CA 3.32Å; F108-G273 WeakPolarHBondContact O-CA 3.35Å; F270-G273 CarbonylContact C-O 3.53Å; F270-G273 WeakPolarHBondContact CA-O 3.11Å; F270-G273 PolarHBondContact O-N 3.02Å
274	L	98	Very high	96.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.8	-179.4	-64.5	-178.3	0	0	0	110.9	L104 E107 F108 V112 V193 I264 F270 Y279 L300	L104-L274 HydrophobicContact CD1-CB 3.92Å; L104-L274 HydrophobicContact CD1-CD1 4.16Å; E107-L274 CarbonylContact C-O 3.54Å; E107-L274 VanDerWaalsContact CA-O 3.31Å; E107-L274 WeakPolarHBondContact CA-O 3.47Å; F108-L274 HydrophobicContact CB-CB 4.23Å; F108-L274 PolarHBondContact N-O 2.73Å; F108-L274 PolarHBondContact O-N 3.2Å; V112-L274 HydrophobicContact CB-CD1 4.39Å; V112-L274 HydrophobicContact CB-CG 4.36Å; V112-L274 HydrophobicContact CG1-CD1 3.8Å; V112-L274 HydrophobicContact CG1-CG 4.3Å; V112-L274 HydrophobicContact CG2-CD1 4.42Å; V112-L274 HydrophobicContact CG2-CG 4.08Å; V193-L274 HydrophobicContact CG1-CD2 3.8Å; V193-L274 HydrophobicContact CG2-CD2 4.48Å; I264-L274 HydrophobicContact CG1-CD1 4.46Å; I264-L274 HydrophobicContact CG1-CD2 4.45Å; I264-L274 HydrophobicContact CG2-CD2 3.92Å; F270-L274 HydrophobicContact CD1-CD2 3.97Å; F270-L274 HydrophobicContact CE1-CD2 4.49Å; L274-Y279 WeakPolarHBondContact CB-OH 3.38Å; L274-Y279 HydrophobicContact CD2-CE1 4.2Å; L274-L300 HydrophobicContact CD1-CD1 3.92Å
275	P	97.3	Very high	96.9	Very high	33 Å²	33	39.7 Å²	39.7	21%	0.214	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-57.9	154.5	172.6	-25.7	34.3	0	0	0	113.2	Y179 A269 Y279	Y179-P275 HydrophobicContact CE2-CB 4.47Å; A269-P275 WeakPolarHBondContact O-CG 3.14Å; P275-Y279 WeakPolarHBondContact CD-OH 3.49Å; P275-Y279 WeakPolarHBondContact O-CE2 3.34Å; P275-Y279 PolarHBondContact O-OH 3.35Å
276	A	97.1	Very high	96.8	Very high	24 Å²	24	37.8 Å²	37.8	20%	0.198	22%	0.218	C	C	.	.	S	Bend	trans	-62.4	147.9	166.5	0	0	0	0	0	110.9	L104 Y179	L104-A276 WeakPolarHBondContact O-CA 3.22Å; L104-A276 WeakPolarHBondContact O-CB 3.49Å; Y179-A276 PolarHBondContact OH-O 3.28Å
277	G	97.5	Very high	96.9	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.6	-168	177	0	0	0	0	0	113.5	E103 L104 G181 Y279	E103-G277 WeakPolarHBondContact CA-O 3.44Å; L104-G277 PolarHBondContact N-O 3.11Å; L104-G277 PolarHBondContact O-N 2.95Å; G181-G277 CarbonylContact O-C 3Å; G181-G277 WeakPolarHBondContact O-CA 3.41Å; G277-Y279 WeakPolarHBondContact O-CD2 3.26Å
278	I	98.2	Very high	97	Very high	44 Å²	44	33.7 Å²	33.7	23%	0.226	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.5	-175.1	-55	173.8	0	0	0	109.3	E103 Y179 L180 G181	E103-I278 HydrophobicContact CG-CG1 4.45Å; Y179-I278 WeakPolarHBondContact CD2-O 3.15Å; L180-I278 HydrophobicContact CB-CB 4.25Å; L180-I278 HydrophobicContact CB-CG2 4.35Å; L180-I278 WeakPolarHBondContact CB-O 3.46Å; L180-I278 HydrophobicContact CD1-CG2 3.95Å; L180-I278 PolarHBondContact N-O 2.66Å; G181-I278 PolarHBondContact O-N 2.87Å
279	Y	98.4	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.5	174.1	-72.9	-96.4	0	0	0	110	E101 F102 L104 L177 T178 Y179 V193 L274 P275 G277	E101-Y279 CarbonylContact C-O 3.53Å; E101-Y279 VanDerWaalsContact CA-O 3.26Å; E101-Y279 WeakPolarHBondContact CA-O 3.48Å; F102-Y279 HydrophobicContact CE2-CD2 4.22Å; F102-Y279 HydrophobicContact CE2-CG 4.13Å; F102-Y279 VanDerWaalsContact CZ-CB 3.45Å; F102-Y279 HydrophobicContact CZ-CG 4.08Å; F102-Y279 PolarHBondContact N-O 3.11Å; F102-Y279 PolarHBondContact O-N 3.09Å; L104-Y279 HydrophobicContact CB-CD2 4.4Å; L104-Y279 HydrophobicContact CB-CE2 4.18Å; L104-Y279 HydrophobicContact CD1-CD2 3.9Å; L104-Y279 HydrophobicContact CD1-CE2 3.44Å; L104-Y279 VanDerWaalsContact CD1-CE2 3.44Å; L104-Y279 HydrophobicContact CG-CD2 3.77Å; L104-Y279 HydrophobicContact CG-CE2 3.73Å; L177-Y279 HydrophobicContact CD1-CD1 3.91Å; L177-Y279 HydrophobicContact CD1-CG 4.4Å; L177-Y279 HydrophobicContact CG-CD1 4.18Å; T178-Y279 CarbonylContact O-C 3.57Å; T178-Y279 VanDerWaalsContact O-CA 3.3Å; T178-Y279 WeakPolarHBondContact O-CA 3.34Å; Y179-Y279 HydrophobicContact CD2-CD1 4.06Å; Y179-Y279 HydrophobicContact CD2-CD2 4.03Å; Y179-Y279 AromaticContact CD2-CE1 3.58Å; Y179-Y279 HydrophobicContact CD2-CE1 3.58Å; Y179-Y279 AromaticContact CD2-CE2 3.53Å; Y179-Y279 HydrophobicContact CD2-CE2 3.53Å; Y179-Y279 HydrophobicContact CD2-CG 4.27Å; Y179-Y279 AromaticContact CD2-CZ 3.29Å; Y179-Y279 AromaticContact CE2-CE2 3.81Å; Y179-Y279 HydrophobicContact CE2-CE2 3.81Å; Y179-Y279 AromaticContact CE2-CZ 3.85Å; Y179-Y279 AromaticContact CG-CE1 3.99Å; Y179-Y279 HydrophobicContact CG-CE1 3.99Å; V193-Y279 HydrophobicContact CG2-CD1 4.19Å; V193-Y279 HydrophobicContact CG2-CE1 3.85Å; L274-Y279 WeakPolarHBondContact CB-OH 3.38Å; L274-Y279 HydrophobicContact CD2-CE1 4.2Å; P275-Y279 WeakPolarHBondContact CD-OH 3.49Å; P275-Y279 WeakPolarHBondContact O-CE2 3.34Å; P275-Y279 PolarHBondContact O-OH 3.35Å; G277-Y279 WeakPolarHBondContact O-CD2 3.26Å
280	S	97.9	Very high	97.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138	172.5	165	0	0	0	0	109.3	K99 V100 T178	K99-S280 WeakPolarHBondContact CE-OG 3.24Å; K99-S280 WeakPolarHBondContact CG-OG 3.49Å; V100-S280 CarbonylContact O-C 3.55Å; V100-S280 WeakPolarHBondContact O-CA 3.42Å; T178-S280 PolarHBondContact N-O 2.83Å; T178-S280 PolarHBondContact O-N 3.31Å
281	V	98.3	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.6	168.5	-175.7	0	0	0	0	108.8	K99 V100 F102 F175 T176 L177 I283 I298	K99-V281 WeakPolarHBondContact CA-O 3.48Å; V100-V281 HydrophobicContact CG2-CB 3.98Å; V100-V281 PolarHBondContact N-O 3.34Å; V100-V281 PolarHBondContact O-N 2.74Å; F102-V281 HydrophobicContact CE1-CG2 3.78Å; F175-V281 HydrophobicContact CB-CG1 3.97Å; F175-V281 HydrophobicContact CD1-CG1 3.87Å; F175-V281 HydrophobicContact CG-CG1 4.4Å; T176-V281 WeakPolarHBondContact O-CA 3.36Å; L177-V281 HydrophobicContact CD1-CG2 3.48Å; L177-V281 VanDerWaalsContact CD1-CG2 3.48Å; V281-I283 HydrophobicContact CB-CG1 4.47Å; V281-I283 HydrophobicContact CG1-CG1 3.85Å; V281-I298 HydrophobicContact CB-CD1 4.04Å; V281-I298 HydrophobicContact CG1-CD1 3.75Å; V281-I298 HydrophobicContact CG2-CD1 4.24Å
282	N	98.1	Very high	96.8	Very high	71 Å²	71	31.3 Å²	31.3	38%	0.38	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.2	165.4	-61.9	-33.9	0	0	0	107.8	K99 F175 T176	K99-N282 WeakPolarHBondContact CG-OD1 3.35Å; F175-N282 WeakPolarHBondContact CA-O 3.17Å; T176-N282 PolarHBondContact N-O 3.07Å; T176-N282 PolarHBondContact O-N 2.93Å
283	I	98.4	Very high	96.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.2	-173.8	-48.9	-179.5	0	0	0	108.4	Y68 S97 C98 V100 D173 S174 F175 V281 Y285 I298	Y68-I283 HydrophobicContact CD1-CD1 4.2Å; Y68-I283 HydrophobicContact CD2-CD1 3.51Å; Y68-I283 HydrophobicContact CD2-CG2 4.14Å; Y68-I283 HydrophobicContact CE2-CD1 4.23Å; Y68-I283 HydrophobicContact CE2-CG2 4.02Å; Y68-I283 HydrophobicContact CG-CD1 3.5Å; Y68-I283 VanDerWaalsContact CG-CD1 3.5Å; S97-I283 WeakPolarHBondContact CA-O 3.46Å; C98-I283 PolarHBondContact N-O 3.35Å; C98-I283 PolarHBondContact O-N 3.17Å; V100-I283 HydrophobicContact CG1-CD1 4.25Å; V100-I283 HydrophobicContact CG2-CD1 3.87Å; D173-I283 HydrophobicContact CB-CG2 4.49Å; S174-I283 WeakPolarHBondContact O-CA 3.12Å; F175-I283 HydrophobicContact CD1-CB 4.43Å; F175-I283 HydrophobicContact CD1-CD1 4.44Å; F175-I283 HydrophobicContact CD1-CG1 3.97Å; F175-I283 HydrophobicContact CD1-CG2 4.05Å; F175-I283 HydrophobicContact CE1-CD1 4.29Å; F175-I283 HydrophobicContact CE1-CG1 4.21Å; F175-I283 HydrophobicContact CE1-CG2 3.77Å; V281-I283 HydrophobicContact CB-CG1 4.47Å; V281-I283 HydrophobicContact CG1-CG1 3.85Å; I283-Y285 PolarHBondContact O-N 3.39Å; I283-I298 HydrophobicContact CD1-CD1 3.74Å; I283-I298 HydrophobicContact CG1-CD1 4.34Å
284	E	97.5	Very high	97	Very high	90 Å²	90	27.8 Å²	27.8	42%	0.421	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	86.3	164.6	-70.2	-170	175.3	0	0	108.3	I95 D173 S174 S286	I95-E284 HydrophobicContact CG2-CB 3.45Å; I95-E284 VanDerWaalsContact CG2-CB 3.45Å; I95-E284 HydrophobicContact CG2-CG 3.86Å; D173-E284 VanDerWaalsContact CA-O 3.28Å; D173-E284 WeakPolarHBondContact CA-O 3.29Å; S174-E284 PolarHBondContact N-O 2.73Å; S174-E284 PolarHBondContact O-N 3.34Å; E284-S286 PolarHBondContact O-N 2.77Å
285	Y	97.5	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.1	-173.2	-167.3	-60.5	0	0	0	110.3	Y68 T69 C80 V84 C96 I283 K296	Y68-Y285 HydrophobicContact CD2-CD2 4.02Å; Y68-Y285 HydrophobicContact CD2-CE2 4.12Å; Y68-Y285 HydrophobicContact CE2-CD2 4.2Å; Y68-Y285 HydrophobicContact CE2-CE2 4.31Å; T69-Y285 WeakPolarHBondContact O-CE2 3.45Å; T69-Y285 PolarHBondContact O-OH 3.47Å; T69-Y285 VanDerWaalsContact O-OH 3.08Å; C80-Y285 HydrophobicContact CB-CD1 3.66Å; C80-Y285 HydrophobicContact CB-CD2 3.74Å; C80-Y285 HydrophobicContact CB-CE1 4.08Å; C80-Y285 HydrophobicContact CB-CE2 4.13Å; C80-Y285 HydrophobicContact CB-CG 3.5Å; C80-Y285 VanDerWaalsContact CB-CG 3.5Å; V84-Y285 HydrophobicContact CB-CE1 4.39Å; V84-Y285 HydrophobicContact CG1-CD1 3.63Å; V84-Y285 HydrophobicContact CG1-CE1 3.66Å; V84-Y285 HydrophobicContact CG2-CE1 3.87Å; C96-Y285 PolarHBondContact N-O 3.3Å; C96-Y285 WeakPolarHBondContact O-CA 3.43Å; C96-Y285 VanDerWaalsContact O-CB 3.27Å; C96-Y285 WeakPolarHBondContact O-CB 3.31Å; C96-Y285 PolarHBondContact O-N 2.77Å; I283-Y285 PolarHBondContact O-N 3.39Å; Y285-K296 VanDerWaalsContact OH-CE 3.24Å; Y285-K296 WeakPolarHBondContact OH-CE 3.35Å; Y285-K296 PolarHBondContact OH-NZ 3.06Å
286	S	96.2	Very high	97.1	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.07	16%	0.159	C	C	.	.			trans	-137.3	-21.5	-178.8	-54.8	0	0	0	0	113.6	N172 D173 E284 P288	N172-S286 WeakPolarHBondContact OD1-CB 3.45Å; D173-S286 PolarHBondContact OD1-N 3.35Å; E284-S286 PolarHBondContact O-N 2.77Å; S286-P288 WeakPolarHBondContact O-CD 3.39Å
287	Y	96.7	Very high	97.1	Very high	14 Å²	14	29 Å²	29	6%	0.055	16%	0.158	C	C	.	.			trans	-89.9	119.7	-172.1	-157.2	-103.5	0	0	0	112.4	L118 F121 S169 L170 F171 N172 D173 W248 V289 K296	L118-Y287 HydrophobicContact CD1-CE1 4Å; F121-Y287 HydrophobicContact CD2-CE1 4.48Å; F121-Y287 HydrophobicContact CE2-CE1 4.14Å; F121-Y287 WeakPolarHBondContact CE2-OH 2.78Å; F121-Y287 WeakPolarHBondContact CZ-OH 3.48Å; S169-Y287 VanDerWaalsContact O-CE2 3.26Å; S169-Y287 WeakPolarHBondContact O-CE2 3.49Å; S169-Y287 PolarHBondContact O-OH 3.05Å; L170-Y287 WeakPolarHBondContact O-CE2 3.43Å; F171-Y287 AromaticContact CD2-CD1 3.73Å; F171-Y287 HydrophobicContact CD2-CD1 3.73Å; F171-Y287 HydrophobicContact CD2-CD2 4.18Å; F171-Y287 HydrophobicContact CD2-CE1 4.14Å; F171-Y287 AromaticContact CD2-CG 3.74Å; F171-Y287 HydrophobicContact CD2-CG 3.74Å; F171-Y287 HydrophobicContact CE2-CD1 4.07Å; F171-Y287 HydrophobicContact CE2-CG 4.08Å; N172-Y287 WeakPolarHBondContact OD1-CA 3.49Å; N172-Y287 WeakPolarHBondContact OD1-CB 3.49Å; N172-Y287 WeakPolarHBondContact OD1-CD2 3.49Å; N172-Y287 PolarHBondContact OD1-N 2.96Å; D173-Y287 WeakPolarHBondContact OD1-CB 3.49Å; D173-Y287 PolarHBondContact OD1-N 3.13Å; W248-Y287 WeakPolarHBondContact CH2-OH 3.46Å; Y287-V289 HydrophobicContact CD1-CG1 3.96Å; Y287-V289 HydrophobicContact CE1-CG1 4.34Å; Y287-K296 PolarHBondContact O-NZ 3.14Å
288	P	96	Very high	97.2	Very high	21 Å²	21	28.9 Å²	28.9	14%	0.136	16%	0.157	C	C	.	.			trans	-86.2	123.3	-176.6	33.3	-34.6	0	0	0	112.3	V84 Y90 S286 F292	V84-P288 HydrophobicContact CB-CB 4.29Å; V84-P288 HydrophobicContact CG2-CB 3.98Å; Y90-P288 VanDerWaalsContact OH-CB 3.3Å; Y90-P288 WeakPolarHBondContact OH-CB 3.33Å; Y90-P288 VanDerWaalsContact OH-CD 3.29Å; Y90-P288 WeakPolarHBondContact OH-CD 3.26Å; Y90-P288 WeakPolarHBondContact OH-CG 3.29Å; S286-P288 WeakPolarHBondContact O-CD 3.39Å; P288-F292 VanDerWaalsContact O-CE1 3.22Å; P288-F292 WeakPolarHBondContact O-CE1 3.39Å
289	V	96.9	Very high	97.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.147	C	C	.	.			trans	-121.1	-25.1	175.6	-60	0	0	0	0	114.8	T69 L118 Y287 Q291 F292 G293 G294 K296	T69-V289 HydrophobicContact CG2-CG2 3.93Å; L118-V289 HydrophobicContact CD2-CG1 4.12Å; Y287-V289 HydrophobicContact CD1-CG1 3.96Å; Y287-V289 HydrophobicContact CE1-CG1 4.34Å; V289-Q291 VanDerWaalsContact C-N 3.26Å; V289-Q291 PolarHBondContact O-N 3.46Å; V289-F292 VanDerWaalsContact CA-CZ 3.46Å; V289-F292 HydrophobicContact CB-CE2 3.97Å; V289-F292 HydrophobicContact CB-CZ 3.85Å; V289-F292 HydrophobicContact CG1-CE2 4.28Å; V289-F292 HydrophobicContact CG1-CZ 3.87Å; V289-F292 WeakPolarHBondContact O-CD2 3.3Å; V289-F292 WeakPolarHBondContact O-CE2 3.46Å; V289-F292 PolarHBondContact O-N 3.47Å; V289-G293 PolarHBondContact O-N 2.8Å; V289-G294 WeakPolarHBondContact CG2-O 3.35Å; V289-G294 PolarHBondContact O-N 3.33Å; V289-K296 HydrophobicContact CB-CG 4.23Å; V289-K296 HydrophobicContact CG1-CD 3.85Å; V289-K296 HydrophobicContact CG1-CG 3.59Å; V289-K296 HydrophobicContact CG2-CD 4.19Å; V289-K296 HydrophobicContact CG2-CG 3.59Å
290	T	95.4	Very high	97.2	Very high	25 Å²	25	26.8 Å²	26.8	15%	0.153	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-67.4	-28.2	-172.9	50.6	0	0	0	0	112.7	T69 F292 G293	T69-T290 HydrophobicContact CG2-CG2 3.77Å; T290-F292 PolarHBondContact O-N 3.26Å; T290-G293 PolarHBondContact O-N 2.7Å
291	Q	92.6	Very high	97.2	Very high	121 Å²	121	26.8 Å²	26.8	57%	0.565	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-59.9	-27.3	177.1	66.5	-177	-18.3	0	0	113.9	V289	V289-Q291 VanDerWaalsContact C-N 3.26Å; V289-Q291 PolarHBondContact O-N 3.46Å
292	F	94.3	Very high	97.1	Very high	67 Å²	67	27.3 Å²	27.3	29%	0.294	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-114.6	19.7	175.1	53.5	-104.6	0	0	0	111.8	N120 F121 P288 V289 T290 G294	N120-F292 PolarHBondContact ND2-O 2.96Å; F121-F292 HydrophobicContact CB-CE2 4.5Å; F121-F292 HydrophobicContact CD2-CE1 4.49Å; F121-F292 HydrophobicContact CD2-CE2 4.09Å; F121-F292 AromaticContact CD2-CZ 3.69Å; F121-F292 HydrophobicContact CD2-CZ 3.69Å; F121-F292 HydrophobicContact CE2-CZ 4.25Å; P288-F292 VanDerWaalsContact O-CE1 3.22Å; P288-F292 WeakPolarHBondContact O-CE1 3.39Å; V289-F292 VanDerWaalsContact CA-CZ 3.46Å; V289-F292 HydrophobicContact CB-CE2 3.97Å; V289-F292 HydrophobicContact CB-CZ 3.85Å; V289-F292 HydrophobicContact CG1-CE2 4.28Å; V289-F292 HydrophobicContact CG1-CZ 3.87Å; V289-F292 WeakPolarHBondContact O-CD2 3.3Å; V289-F292 WeakPolarHBondContact O-CE2 3.46Å; V289-F292 PolarHBondContact O-N 3.47Å; T290-F292 PolarHBondContact O-N 3.26Å; F292-G294 PolarHBondContact O-N 3.2Å
293	G	96.5	Very high	96.9	Very high	53 Å²	53	28 Å²	28	55%	0.546	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	21.7	178.1	0	0	0	0	0	114.7	V289 T290	V289-G293 PolarHBondContact O-N 2.8Å; T290-G293 PolarHBondContact O-N 2.7Å
294	G	97.9	Very high	96.6	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	16%	0.158	C	C	.	.			trans	-83.9	164	174	0	0	0	0	0	112.7	S119 V289 F292	S119-G294 VanDerWaalsContact O-CA 3.22Å; S119-G294 WeakPolarHBondContact O-CA 3.43Å; V289-G294 WeakPolarHBondContact CG2-O 3.35Å; V289-G294 PolarHBondContact O-N 3.33Å; F292-G294 PolarHBondContact O-N 3.2Å
295	T	98.5	Very high	96.3	Very high	36 Å²	36	36.4 Å²	36.4	22%	0.221	18%	0.183	C	C	.	.			trans	-125.6	155.4	175.4	64.6	0	0	0	0	111.1	T69 L118 S119	T69-T295 WeakPolarHBondContact OG1-CA 3.29Å; T69-T295 WeakPolarHBondContact OG1-CB 3.32Å; L118-T295 WeakPolarHBondContact CA-O 3.17Å; S119-T295 PolarHBondContact N-O 2.9Å; S119-T295 VanDerWaalsContact N-O 3.09Å; S119-T295 WeakPolarHBondContact OG-CB 3.4Å; S119-T295 PolarHBondContact OG-N 3.08Å; S119-T295 PolarHBondContact OG-OG1 3.24Å
296	K	98.5	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.8	177	-56.2	-168.7	-68.1	-175.3	0	111.2	E67 Y68 T69 G117 L118 F171 D173 Y285 Y287 V289	E67-K296 VanDerWaalsContact CG-O 3.28Å; E67-K296 WeakPolarHBondContact CG-O 3.35Å; Y68-K296 HydrophobicContact CD1-CB 4.28Å; Y68-K296 WeakPolarHBondContact CD1-O 3.48Å; Y68-K296 HydrophobicContact CD2-CB 4.36Å; Y68-K296 HydrophobicContact CE1-CB 3.68Å; Y68-K296 HydrophobicContact CE2-CB 3.79Å; Y68-K296 HydrophobicContact CE2-CD 4Å; Y68-K296 VanDerWaalsContact CE2-CE 3.46Å; Y68-K296 PolarHBondContact N-O 3.29Å; Y68-K296 WeakPolarHBondContact OH-CB 3.4Å; T69-K296 PolarHBondContact OG1-N 2.95Å; T69-K296 PolarHBondContact OG1-O 2.99Å; G117-K296 WeakPolarHBondContact O-CA 3.27Å; L118-K296 HydrophobicContact CD2-CB 4.42Å; L118-K296 HydrophobicContact CD2-CD 4.23Å; L118-K296 HydrophobicContact CD2-CG 3.76Å; F171-K296 HydrophobicContact CE2-CD 4.24Å; D173-K296 IonicContact OD1-NZ 3.8Å; D173-K296 PolarHBondContact OD1-NZ 3.39Å; D173-K296 WeakPolarHBondContact OD2-CD 3.24Å; D173-K296 WeakPolarHBondContact OD2-CE 3.32Å; D173-K296 IonicContact OD2-NZ 2.76Å; D173-K296 PolarHBondContact OD2-NZ 3.09Å; Y285-K296 VanDerWaalsContact OH-CE 3.24Å; Y285-K296 WeakPolarHBondContact OH-CE 3.35Å; Y285-K296 PolarHBondContact OH-NZ 3.06Å; Y287-K296 PolarHBondContact O-NZ 3.14Å; V289-K296 HydrophobicContact CB-CG 4.23Å; V289-K296 HydrophobicContact CG1-CD 3.85Å; V289-K296 HydrophobicContact CG1-CG 3.59Å; V289-K296 HydrophobicContact CG2-CD 4.19Å; V289-K296 HydrophobicContact CG2-CG 3.59Å
297	R	98.6	Very high	95.6	Very high	46 Å²	46	40.9 Å²	40.9	17%	0.174	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146	178.6	59.4	-175.2	174.8	-105.9	-14.5	112.1	V65 V66 Y68 Y116 G117 L118 F257 I299	V65-R297 HydrophobicContact CG1-CB 4Å; V65-R297 HydrophobicContact CG1-CG 4.24Å; V66-R297 CarbonylContact O-C 3.45Å; V66-R297 WeakPolarHBondContact O-CA 3.3Å; Y68-R297 VanDerWaalsContact CE1-C 3.44Å; Y116-R297 CarbonylContact C-O 3.59Å; Y116-R297 WeakPolarHBondContact CA-O 3.4Å; G117-R297 PolarHBondContact N-O 3.3Å; G117-R297 PolarHBondContact O-N 2.99Å; L118-R297 PolarHBondContact O-NH2 3.28Å; F257-R297 PolarHBondContact O-NH2 3.32Å; F257-R297 VanDerWaalsContact O-NH2 3.13Å; R297-I299 HydrophobicContact CG-CD1 4.22Å; R297-I299 HydrophobicContact CG-CG1 4.11Å
298	I	98.5	Very high	95.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.3	165.1	-68.3	151	0	0	0	106.9	V65 V66 Y68 V100 F114 F175 V281 I283	V65-I298 WeakPolarHBondContact CA-O 3.4Å; V66-I298 PolarHBondContact N-O 3.35Å; V66-I298 PolarHBondContact O-N 2.93Å; Y68-I298 HydrophobicContact CD1-CD1 3.82Å; Y68-I298 HydrophobicContact CD1-CG1 3.76Å; Y68-I298 HydrophobicContact CE1-CD1 4.18Å; Y68-I298 HydrophobicContact CE1-CG1 3.71Å; Y68-I298 HydrophobicContact CG-CD1 4.39Å; V100-I298 HydrophobicContact CG2-CD1 4.2Å; F114-I298 HydrophobicContact CD1-CG2 4.42Å; F114-I298 HydrophobicContact CE1-CB 4.44Å; F114-I298 HydrophobicContact CE1-CG1 4.18Å; F114-I298 HydrophobicContact CE1-CG2 3.68Å; F114-I298 HydrophobicContact CE2-CG2 3.9Å; F114-I298 HydrophobicContact CZ-CB 4.29Å; F114-I298 HydrophobicContact CZ-CD1 4.45Å; F114-I298 HydrophobicContact CZ-CG1 3.96Å; F114-I298 HydrophobicContact CZ-CG2 3.37Å; F175-I298 HydrophobicContact CD1-CD1 3.8Å; F175-I298 HydrophobicContact CD1-CG1 3.93Å; F175-I298 HydrophobicContact CE1-CD1 3.82Å; F175-I298 HydrophobicContact CE1-CG1 3.69Å; F175-I298 HydrophobicContact CZ-CG1 4.34Å; V281-I298 HydrophobicContact CB-CD1 4.04Å; V281-I298 HydrophobicContact CG1-CD1 3.75Å; V281-I298 HydrophobicContact CG2-CD1 4.24Å; I283-I298 HydrophobicContact CD1-CD1 3.74Å; I283-I298 HydrophobicContact CG1-CD1 4.34Å
299	I	98.5	Very high	95.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118	177.6	-47.9	167.4	0	0	0	107.6	E63 V64 V65 Y115 R258 R297	E63-I299 HydrophobicContact CG-CG2 3.79Å; V64-I299 WeakPolarHBondContact O-CA 3.42Å; V65-I299 HydrophobicContact CG1-CG1 4.29Å; V65-I299 HydrophobicContact CG2-CG1 4.21Å; V65-I299 HydrophobicContact CG2-CG2 4.07Å; Y115-I299 PolarHBondContact N-O 3.28Å; Y115-I299 PolarHBondContact O-N 3.09Å; R258-I299 HydrophobicContact CB-CD1 3.78Å; R297-I299 HydrophobicContact CG-CD1 4.22Å; R297-I299 HydrophobicContact CG-CG1 4.11Å
300	L	98.3	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.4	165.3	-65.2	171.3	0	0	0	107.3	E63 V64 F102 F108 V112 Y113 F114 L177 I264 L274	E63-L300 VanDerWaalsContact CA-O 3.31Å; E63-L300 WeakPolarHBondContact CA-O 3.35Å; V64-L300 HydrophobicContact CG1-CB 3.77Å; V64-L300 HydrophobicContact CG1-CD1 4.26Å; V64-L300 HydrophobicContact CG1-CG 4.39Å; V64-L300 PolarHBondContact N-O 2.95Å; V64-L300 PolarHBondContact O-N 3.5Å; F102-L300 HydrophobicContact CE2-CD1 3.94Å; F102-L300 HydrophobicContact CZ-CD1 3.51Å; F108-L300 HydrophobicContact CE2-CB 4.27Å; V112-L300 HydrophobicContact CG1-CB 4.34Å; V112-L300 HydrophobicContact CG1-CD2 4.37Å; Y113-L300 WeakPolarHBondContact O-CA 3.24Å; F114-L300 HydrophobicContact CB-CD2 3.85Å; F114-L300 HydrophobicContact CD2-CD2 3.5Å; F114-L300 HydrophobicContact CE2-CD2 4.29Å; F114-L300 HydrophobicContact CG-CD2 3.86Å; L177-L300 HydrophobicContact CD1-CD1 4.47Å; L177-L300 HydrophobicContact CD2-CD1 4.08Å; L177-L300 HydrophobicContact CD2-CD2 4.27Å; I264-L300 HydrophobicContact CD1-CD2 4.45Å; L274-L300 HydrophobicContact CD1-CD1 3.92Å
301	S	97.8	Very high	95	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.5	-179.9	-173.9	0	0	0	0	110.5	V61 S62 Y113	V61-S301 WeakPolarHBondContact CG1-OG 3.3Å; S62-S301 CarbonylContact O-C 3.44Å; S62-S301 VanDerWaalsContact O-CA 3.31Å; S62-S301 WeakPolarHBondContact O-CA 3.44Å; Y113-S301 PolarHBondContact N-O 2.92Å; Y113-S301 PolarHBondContact O-N 3.23Å
302	T	97.4	Very high	95.2	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	27%	0.268	C	S	.	.			trans	-78.8	176.6	157.8	60.3	0	0	0	0	109.8	V61 S62 F108 K109 V112	V61-T302 WeakPolarHBondContact CG1-O 3.28Å; S62-T302 PolarHBondContact N-OG1 2.98Å; S62-T302 PolarHBondContact O-N 3.24Å; F108-T302 HydrophobicContact CB-CG2 3.9Å; F108-T302 HydrophobicContact CD2-CG2 4.22Å; F108-T302 HydrophobicContact CG-CG2 4.32Å; K109-T302 WeakPolarHBondContact O-CG2 3.28Å; V112-T302 HydrophobicContact CG2-CG2 4.11Å
303	M	94	Very high	95.2	Very high	85 Å²	85	51.3 Å²	51.3	42%	0.419	28%	0.275	S	S	.	.			trans	-127.6	144.1	172.8	-76.4	-177.3	154.1	0	0	110.7	Y113 Y115	Y113-M303 HydrophobicContact CD1-SD 4.28Å; Y113-M303 HydrophobicContact CD2-CB 4.41Å; Y113-M303 HydrophobicContact CD2-CG 3.73Å; Y113-M303 HydrophobicContact CD2-SD 3.94Å; Y113-M303 HydrophobicContact CE1-SD 3.84Å; Y113-M303 HydrophobicContact CE2-CB 3.8Å; Y113-M303 HydrophobicContact CE2-CG 3.47Å; Y113-M303 VanDerWaalsContact CE2-CG 3.47Å; Y113-M303 HydrophobicContact CE2-SD 3.46Å; Y113-M303 WeakPolarHBondContact CE2-SD 3.36Å; Y113-M303 HydrophobicContact CG-SD 4.34Å; Y115-M303 WeakPolarHBondContact OH-CE 3.41Å
304	S	92.2	Very high	95.2	Very high	20 Å²	20	48.9 Å²	48.9	14%	0.14	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-94.2	177.1	161.6	73	0	0	0	0	109.5	F57 L306 G307	F57-S304 WeakPolarHBondContact O-CB 3.42Å; S304-L306 PolarHBondContact O-N 2.64Å; S304-L306 VanDerWaalsContact O-N 3.15Å; S304-L306 PolarHBondContact OG-N 3.18Å; S304-L306 VanDerWaalsContact OG-N 3.16Å; S304-G307 PolarHBondContact N-O 3.41Å; S304-G307 PolarHBondContact O-N 2.95Å; S304-G307 PolarHBondContact OG-O 2.95Å
305	W	89.3	Confident	95.2	Very high	249 Å²	249	52.8 Å²	52.8	94%	0.943	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-39	167.9	175.7	-55.1	0	0	0	112	G307	W305-G307 PolarHBondContact O-N 2.69Å
306	L	89.8	Confident	95.2	Very high	84 Å²	84	53.4 Å²	53.4	44%	0.44	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.6	-176	-64.4	165.1	0	0	0	113.1	L54 F57 S304	L54-L306 HydrophobicContact CB-CD1 4.27Å; L54-L306 HydrophobicContact CD2-CD1 3.42Å; L54-L306 VanDerWaalsContact CD2-CD1 3.42Å; L54-L306 HydrophobicContact CD2-CD2 3.74Å; L54-L306 HydrophobicContact CD2-CG 4.21Å; L54-L306 HydrophobicContact CG-CD1 4.45Å; F57-L306 HydrophobicContact CB-CD1 3.92Å; S304-L306 PolarHBondContact O-N 2.64Å; S304-L306 VanDerWaalsContact O-N 3.15Å; S304-L306 PolarHBondContact OG-N 3.18Å; S304-L306 VanDerWaalsContact OG-N 3.16Å
307	G	90.9	Very high	95.2	Very high	20 Å²	20	57.9 Å²	57.9	21%	0.206	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	96	-145.8	-171.3	0	0	0	0	0	112	S304 W305	S304-G307 PolarHBondContact N-O 3.41Å; S304-G307 PolarHBondContact O-N 2.95Å; S304-G307 PolarHBondContact OG-O 2.95Å; W305-G307 PolarHBondContact O-N 2.69Å
308	G	90.7	Very high	95.1	Very high	29 Å²	29	57.8 Å²	57.8	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	-76.9	-175.7	-178.1	0	0	0	0	0	114	N310	G308-N310 PolarHBondContact O-N 3.16Å; G308-N310 VanDerWaalsContact O-N 3.17Å
309	R	92.4	Very high	95.1	Very high	125 Å²	125	61.5 Å²	61.5	47%	0.472	32%	0.317	S	S	.	.			trans	-65.9	112.6	179.4	-173.6	171.7	-179	153.1	-0.5	111.2	V61	V61-R309 HydrophobicContact CB-CB 4.07Å; V61-R309 HydrophobicContact CG1-CB 3.99Å
310	N	93.7	Very high	95.1	Very high	91 Å²	91	67.1 Å²	67.1	49%	0.487	35%	0.345	S	S	.	.			trans	-151.4	97.8	172.9	-175	-5.9	0	0	0	110.6	S58 G308 T312	S58-N310 WeakPolarHBondContact OG-CA 3.5Å; S58-N310 PolarHBondContact OG-N 2.51Å; S58-N310 PolarHBondContact OG-O 2.71Å; G308-N310 PolarHBondContact O-N 3.16Å; G308-N310 VanDerWaalsContact O-N 3.17Å; N310-T312 PolarHBondContact O-N 3.44Å; N310-T312 WeakPolarHBondContact OD1-CB 3.36Å; N310-T312 PolarHBondContact OD1-N 2.82Å; N310-T312 VanDerWaalsContact OD1-N 3.16Å; N310-T312 PolarHBondContact OD1-OG1 3.31Å
311	P	95	Very high	95.1	Very high	47 Å²	47	67.1 Å²	67.1	31%	0.305	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.4	-175.6	30.6	-35.7	0	0	0	112.8	L55 L313 G314 I315	L55-P311 HydrophobicContact CD1-CB 3.66Å; P311-L313 VanDerWaalsContact C-N 3.29Å; P311-L313 PolarHBondContact O-N 3.44Å; P311-G314 PolarHBondContact O-N 3.49Å; P311-G314 VanDerWaalsContact O-N 3.13Å; P311-I315 HydrophobicContact CB-CD1 3.97Å; P311-I315 HydrophobicContact CG-CD1 4.42Å; P311-I315 WeakPolarHBondContact O-CG1 3.23Å; P311-I315 PolarHBondContact O-N 3.39Å
312	T	96.1	Very high	95.1	Very high	93 Å²	93	69.3 Å²	69.3	57%	0.571	36%	0.36	S	S	*	.	H	α-helix	trans	-55.5	-42.1	-172.1	-48.4	0	0	0	0	112.5	N310 S316	N310-T312 PolarHBondContact O-N 3.44Å; N310-T312 WeakPolarHBondContact OD1-CB 3.36Å; N310-T312 PolarHBondContact OD1-N 2.82Å; N310-T312 VanDerWaalsContact OD1-N 3.16Å; N310-T312 PolarHBondContact OD1-OG1 3.31Å; T312-S316 WeakPolarHBondContact O-CB 3.18Å; T312-S316 PolarHBondContact O-N 3.38Å; T312-S316 PolarHBondContact O-OG 2.97Å
313	L	95	Very high	95.1	Very high	84 Å²	84	72 Å²	72	44%	0.44	38%	0.376	S	S	.	.	H	α-helix	trans	-68.8	-43.1	-179.6	-169.8	69	0	0	0	111.6	L54 P311 S316 Y317	L54-L313 HydrophobicContact CD1-CD2 4.01Å; L54-L313 HydrophobicContact CD1-CG 3.98Å; L54-L313 HydrophobicContact CD2-CD2 4.46Å; P311-L313 VanDerWaalsContact C-N 3.29Å; P311-L313 PolarHBondContact O-N 3.44Å; L313-S316 PolarHBondContact O-N 2.99Å; L313-S316 PolarHBondContact O-OG 2.81Å; L313-Y317 HydrophobicContact CD1-CD2 4.2Å; L313-Y317 HydrophobicContact CD1-CE2 3.88Å; L313-Y317 HydrophobicContact CG-CD2 4.27Å; L313-Y317 HydrophobicContact CG-CE2 4.2Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.21Å; L313-Y317 PolarHBondContact O-N 3.07Å
314	G	96.8	Very high	95.2	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-46.3	175.1	0	0	0	0	0	111.9	G51 P311 S316 Y317 I318	G51-G314 WeakPolarHBondContact O-CA 3.45Å; P311-G314 PolarHBondContact O-N 3.49Å; P311-G314 VanDerWaalsContact O-N 3.13Å; G314-S316 PolarHBondContact O-N 3.12Å; G314-Y317 PolarHBondContact O-N 2.91Å; G314-I318 WeakPolarHBondContact O-CG1 3.45Å; G314-I318 PolarHBondContact O-N 3.07Å; G314-I318 VanDerWaalsContact O-N 3.08Å
315	I	97.8	Very high	95.5	Very high	86 Å²	86	69.2 Å²	69.2	44%	0.441	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-43.3	177.7	-66.1	168.6	0	0	0	111.1	L55 P311 Y317 I318 V319	L55-I315 HydrophobicContact CD1-CG1 4.44Å; P311-I315 HydrophobicContact CB-CD1 3.97Å; P311-I315 HydrophobicContact CG-CD1 4.42Å; P311-I315 WeakPolarHBondContact O-CG1 3.23Å; P311-I315 PolarHBondContact O-N 3.39Å; I315-Y317 PolarHBondContact O-N 3.29Å; I315-I318 PolarHBondContact O-N 3.04Å; I315-V319 HydrophobicContact CG2-CG2 4.15Å; I315-V319 VanDerWaalsContact O-CG2 3.29Å; I315-V319 WeakPolarHBondContact O-CG2 3.42Å; I315-V319 PolarHBondContact O-N 3.46Å
316	S	97.7	Very high	95.9	Very high	49 Å²	49	62.2 Å²	62.2	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-41	-179	68.4	0	0	0	0	112.1	T312 L313 G314 V319 M320	T312-S316 WeakPolarHBondContact O-CB 3.18Å; T312-S316 PolarHBondContact O-N 3.38Å; T312-S316 PolarHBondContact O-OG 2.97Å; L313-S316 PolarHBondContact O-N 2.99Å; L313-S316 PolarHBondContact O-OG 2.81Å; G314-S316 PolarHBondContact O-N 3.12Å; S316-V319 PolarHBondContact O-N 3.17Å; S316-M320 WeakPolarHBondContact O-CB 3.43Å; S316-M320 VanDerWaalsContact O-CG 3.32Å; S316-M320 WeakPolarHBondContact O-CG 3.34Å; S316-M320 PolarHBondContact O-N 3.48Å
317	Y	98.1	Very high	96.2	Very high	93 Å²	93	61.3 Å²	61.3	37%	0.365	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-40.9	174	-91	-101.4	0	0	0	112.4	V50 G51 L54 L313 G314 I315 G321	V50-Y317 HydrophobicContact CB-CD1 4.11Å; V50-Y317 HydrophobicContact CB-CE1 4.43Å; V50-Y317 HydrophobicContact CG1-CD1 3.69Å; V50-Y317 HydrophobicContact CG1-CE1 3.7Å; V50-Y317 HydrophobicContact CG1-CG 4.39Å; G51-Y317 VanDerWaalsContact CA-CB 3.46Å; L54-Y317 HydrophobicContact CD1-CD2 3.88Å; L54-Y317 HydrophobicContact CD1-CE2 4.06Å; L54-Y317 HydrophobicContact CD1-CG 4.19Å; L313-Y317 HydrophobicContact CD1-CD2 4.2Å; L313-Y317 HydrophobicContact CD1-CE2 3.88Å; L313-Y317 HydrophobicContact CG-CD2 4.27Å; L313-Y317 HydrophobicContact CG-CE2 4.2Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.21Å; L313-Y317 PolarHBondContact O-N 3.07Å; G314-Y317 PolarHBondContact O-N 2.91Å; I315-Y317 PolarHBondContact O-N 3.29Å; Y317-G321 PolarHBondContact O-N 3.05Å
318	I	98.2	Very high	96.4	Very high	45 Å²	45	60.4 Å²	60.4	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-44.9	176.6	-66.9	167.4	0	0	0	110.8	I52 L55 G314 I315 G321 S322	I52-I318 HydrophobicContact CG1-CD1 4.27Å; L55-I318 HydrophobicContact CD2-CD1 4.03Å; G314-I318 WeakPolarHBondContact O-CG1 3.45Å; G314-I318 PolarHBondContact O-N 3.07Å; G314-I318 VanDerWaalsContact O-N 3.08Å; I315-I318 PolarHBondContact O-N 3.04Å; I318-G321 PolarHBondContact O-N 3.35Å; I318-S322 VanDerWaalsContact O-CB 3.3Å; I318-S322 WeakPolarHBondContact O-CB 3.36Å; I318-S322 PolarHBondContact O-N 2.93Å; I318-S322 PolarHBondContact O-OG 3.18Å
319	V	98.1	Very high	96.7	Very high	78 Å²	78	63.6 Å²	63.6	47%	0.473	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-50.7	178.7	171.1	0	0	0	0	110.5	I315 S316 G321 S322 V323	I315-V319 HydrophobicContact CG2-CG2 4.15Å; I315-V319 VanDerWaalsContact O-CG2 3.29Å; I315-V319 WeakPolarHBondContact O-CG2 3.42Å; I315-V319 PolarHBondContact O-N 3.46Å; S316-V319 PolarHBondContact O-N 3.17Å; V319-G321 VanDerWaalsContact C-N 3.3Å; V319-G321 PolarHBondContact O-N 3.45Å; V319-S322 PolarHBondContact O-N 3.36Å; V319-V323 HydrophobicContact CG1-CG2 4.47Å; V319-V323 WeakPolarHBondContact O-CG2 3.16Å; V319-V323 PolarHBondContact O-N 2.63Å
320	M	97.3	Very high	96.9	Very high	119 Å²	119	61.3 Å²	61.3	59%	0.586	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-39.6	178.3	-72.3	-52	-52.7	0	0	112	S316 G324	S316-M320 WeakPolarHBondContact O-CB 3.43Å; S316-M320 VanDerWaalsContact O-CG 3.32Å; S316-M320 WeakPolarHBondContact O-CG 3.34Å; S316-M320 PolarHBondContact O-N 3.48Å; M320-G324 PolarHBondContact O-N 2.84Å
321	G	98.1	Very high	97	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-42.8	175.4	0	0	0	0	0	112.6	G44 Y317 I318 V319 G324 L325	G44-G321 VanDerWaalsContact CA-O 3.24Å; G44-G321 WeakPolarHBondContact CA-O 3.31Å; Y317-G321 PolarHBondContact O-N 3.05Å; I318-G321 PolarHBondContact O-N 3.35Å; V319-G321 VanDerWaalsContact C-N 3.3Å; V319-G321 PolarHBondContact O-N 3.45Å; G321-G324 PolarHBondContact O-N 3.1Å; G321-L325 WeakPolarHBondContact O-CG 3.47Å; G321-L325 PolarHBondContact O-N 3.06Å
322	S	98	Very high	97	Very high	46 Å²	46	62.2 Å²	62.2	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-45.7	178.2	-57.4	0	0	0	0	111.9	I318 V319 G324 L325 I326	I318-S322 VanDerWaalsContact O-CB 3.3Å; I318-S322 WeakPolarHBondContact O-CB 3.36Å; I318-S322 PolarHBondContact O-N 2.93Å; I318-S322 PolarHBondContact O-OG 3.18Å; V319-S322 PolarHBondContact O-N 3.36Å; S322-G324 VanDerWaalsContact C-N 3.3Å; S322-G324 PolarHBondContact O-N 3.34Å; S322-L325 PolarHBondContact O-N 3.39Å; S322-I326 VanDerWaalsContact O-CG1 3.31Å; S322-I326 WeakPolarHBondContact O-CG1 3.23Å; S322-I326 PolarHBondContact O-N 3.05Å
323	V	97.7	Very high	96.9	Very high	67 Å²	67	62.1 Å²	62.1	41%	0.406	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-42.7	173.9	172.9	0	0	0	0	110.3	V319 I326 L327	V319-V323 HydrophobicContact CG1-CG2 4.47Å; V319-V323 WeakPolarHBondContact O-CG2 3.16Å; V319-V323 PolarHBondContact O-N 2.63Å; V323-I326 PolarHBondContact O-N 3.06Å; V323-L327 HydrophobicContact CG1-CD1 3.96Å; V323-L327 HydrophobicContact CG1-CG 4.39Å; V323-L327 WeakPolarHBondContact O-CB 3.32Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 3.4Å
324	G	96.9	Very high	96.8	Very high	6 Å²	6	62.4 Å²	62.4	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175	0	0	0	0	0	113	M320 G321 S322 L327 G328	M320-G324 PolarHBondContact O-N 2.84Å; G321-G324 PolarHBondContact O-N 3.1Å; S322-G324 VanDerWaalsContact C-N 3.3Å; S322-G324 PolarHBondContact O-N 3.34Å; G324-L327 PolarHBondContact O-N 2.97Å; G324-G328 PolarHBondContact O-N 3.5Å
325	L	97.1	Very high	96.6	Very high	42 Å²	42	64.2 Å²	64.2	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-45.7	175.8	-73.7	-174.4	0	0	0	112.3	L41 L45 I48 G321 S322 L327 G328 L329	L41-L325 HydrophobicContact CD2-CD2 4.12Å; L45-L325 HydrophobicContact CD2-CD2 4.07Å; L45-L325 HydrophobicContact CG-CD2 3.92Å; I48-L325 HydrophobicContact CD1-CD1 3.42Å; I48-L325 VanDerWaalsContact CD1-CD1 3.42Å; I48-L325 HydrophobicContact CD1-CG 4.18Å; G321-L325 WeakPolarHBondContact O-CG 3.47Å; G321-L325 PolarHBondContact O-N 3.06Å; S322-L325 PolarHBondContact O-N 3.39Å; L325-L327 PolarHBondContact O-N 3.12Å; L325-G328 PolarHBondContact O-N 3.12Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.14Å
326	I	97.5	Very high	96.3	Very high	101 Å²	101	66.3 Å²	66.3	52%	0.518	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-48.2	179	-68	165.9	0	0	0	110.3	S322 V323 G328 L329 I330	S322-I326 VanDerWaalsContact O-CG1 3.31Å; S322-I326 WeakPolarHBondContact O-CG1 3.23Å; S322-I326 PolarHBondContact O-N 3.05Å; V323-I326 PolarHBondContact O-N 3.06Å; I326-G328 VanDerWaalsContact C-N 3.34Å; I326-G328 PolarHBondContact O-N 3.14Å; I326-L329 PolarHBondContact O-N 3.36Å; I326-I330 HydrophobicContact CG2-CD1 3.87Å; I326-I330 VanDerWaalsContact O-CG1 3.3Å; I326-I330 WeakPolarHBondContact O-CG1 3.46Å; I326-I330 PolarHBondContact O-N 2.84Å
327	L	96.6	Very high	96.1	Very high	66 Å²	66	68.8 Å²	68.8	35%	0.346	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.5	-69.8	175.2	0	0	0	112.1	F40 V323 G324 L325 I330 F331	F40-L327 HydrophobicContact CD1-CB 4.24Å; F40-L327 HydrophobicContact CD1-CD1 4.42Å; F40-L327 HydrophobicContact CE1-CD1 4.14Å; F40-L327 HydrophobicContact CG-CB 4.39Å; V323-L327 HydrophobicContact CG1-CD1 3.96Å; V323-L327 HydrophobicContact CG1-CG 4.39Å; V323-L327 WeakPolarHBondContact O-CB 3.32Å; V323-L327 WeakPolarHBondContact O-CG 3.44Å; V323-L327 PolarHBondContact O-N 3.4Å; G324-L327 PolarHBondContact O-N 2.97Å; L325-L327 PolarHBondContact O-N 3.12Å; L327-I330 PolarHBondContact O-N 2.84Å; L327-F331 HydrophobicContact CB-CE2 4.46Å; L327-F331 WeakPolarHBondContact O-CD2 3.38Å; L327-F331 PolarHBondContact O-N 2.83Å
328	G	96.6	Very high	95.7	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.4	0	0	0	0	0	112.5	G324 L325 I326 F331 F332	G324-G328 PolarHBondContact O-N 3.5Å; L325-G328 PolarHBondContact O-N 3.12Å; I326-G328 VanDerWaalsContact C-N 3.34Å; I326-G328 PolarHBondContact O-N 3.14Å; G328-F331 PolarHBondContact O-N 2.79Å; G328-F332 WeakPolarHBondContact O-CB 3.1Å; G328-F332 PolarHBondContact O-N 3.21Å
329	L	96.2	Very high	95.1	Very high	96 Å²	96	70.9 Å²	70.9	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-42.2	175.5	-69.7	173.7	0	0	0	112	L41 L325 I326 F332 I333	L41-L329 HydrophobicContact CD2-CD2 4.4Å; L41-L329 HydrophobicContact CD2-CG 4.39Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.14Å; I326-L329 PolarHBondContact O-N 3.36Å; L329-F332 WeakPolarHBondContact O-CB 3.09Å; L329-F332 PolarHBondContact O-N 3.35Å; L329-I333 VanDerWaalsContact O-CG1 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.29Å
330	I	95.8	Very high	94.3	Very high	78 Å²	78	74.8 Å²	74.8	40%	0.4	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-48.7	175.6	-69.3	166.2	0	0	0	110.5	I326 L327 F332 I333 L334	I326-I330 HydrophobicContact CG2-CD1 3.87Å; I326-I330 VanDerWaalsContact O-CG1 3.3Å; I326-I330 WeakPolarHBondContact O-CG1 3.46Å; I326-I330 PolarHBondContact O-N 2.84Å; L327-I330 PolarHBondContact O-N 2.84Å; I330-F332 VanDerWaalsContact C-N 3.31Å; I330-F332 PolarHBondContact O-N 3.44Å; I330-I333 PolarHBondContact O-N 3.05Å; I330-L334 HydrophobicContact CG2-CD1 3.91Å; I330-L334 HydrophobicContact CG2-CG 4.35Å; I330-L334 WeakPolarHBondContact O-CB 3.45Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.02Å
331	F	95.5	Very high	93.2	Very high	60 Å²	60	76.9 Å²	76.9	26%	0.263	38%	0.384	S	S	.	.	H	α-helix	trans	-65.4	-33.7	178	-71.3	-48.9	0	0	0	112.9	A36 F37 F40 L327 G328 L334 H335	A36-F331 HydrophobicContact CB-CD2 4.16Å; A36-F331 HydrophobicContact CB-CE2 4.43Å; A36-F331 HydrophobicContact CB-CG 4.44Å; F37-F331 HydrophobicContact CB-CB 3.64Å; F40-F331 AromaticContact CD2-CD2 3.69Å; F40-F331 HydrophobicContact CD2-CD2 3.69Å; F40-F331 AromaticContact CD2-CE2 3.64Å; F40-F331 HydrophobicContact CD2-CE2 3.64Å; F40-F331 HydrophobicContact CE2-CD2 4Å; F40-F331 AromaticContact CE2-CE2 3.46Å; F40-F331 HydrophobicContact CE2-CE2 3.46Å; F40-F331 VanDerWaalsContact CE2-CE2 3.46Å; F40-F331 HydrophobicContact CE2-CZ 4.48Å; F40-F331 HydrophobicContact CZ-CE2 4.24Å; L327-F331 HydrophobicContact CB-CE2 4.46Å; L327-F331 WeakPolarHBondContact O-CD2 3.38Å; L327-F331 PolarHBondContact O-N 2.83Å; G328-F331 PolarHBondContact O-N 2.79Å; F331-L334 HydrophobicContact CD1-CD1 4.26Å; F331-H335 VanDerWaalsContact O-CB 3.26Å; F331-H335 WeakPolarHBondContact O-CB 3.48Å; F331-H335 PolarHBondContact O-N 3.29Å
332	F	95	Very high	91.7	Very high	97 Å²	97	89.5 Å²	89.5	43%	0.425	43%	0.431	S	S	.	.	H	α-helix	trans	-63.4	-47.8	173.2	177.8	-101.9	0	0	0	111.5	F37 G328 L329 I330 H335 F336	F37-F332 HydrophobicContact CB-CB 4.29Å; F37-F332 HydrophobicContact CD2-CB 4.11Å; F37-F332 AromaticContact CD2-CD2 3.91Å; F37-F332 HydrophobicContact CD2-CD2 3.91Å; F37-F332 HydrophobicContact CD2-CG 4.48Å; F37-F332 AromaticContact CE2-CD2 3.8Å; F37-F332 HydrophobicContact CE2-CD2 3.8Å; F37-F332 HydrophobicContact CE2-CE2 4.47Å; F37-F332 HydrophobicContact CG-CB 4.22Å; F37-F332 HydrophobicContact CG-CD2 4.41Å; F37-F332 HydrophobicContact CZ-CD2 4.2Å; G328-F332 WeakPolarHBondContact O-CB 3.1Å; G328-F332 PolarHBondContact O-N 3.21Å; L329-F332 WeakPolarHBondContact O-CB 3.09Å; L329-F332 PolarHBondContact O-N 3.35Å; I330-F332 VanDerWaalsContact C-N 3.31Å; I330-F332 PolarHBondContact O-N 3.44Å; F332-H335 PolarHBondContact O-N 3.19Å; F332-F336 WeakPolarHBondContact O-CB 3.2Å; F332-F336 PolarHBondContact O-N 2.05Å
333	I	94.6	Very high	91.4	Very high	91 Å²	91	91.7 Å²	91.7	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-49.1	176.2	-68.6	165.8	0	0	0	110.3	L329 I330 H335 F336 H337	L329-I333 VanDerWaalsContact O-CG1 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.29Å; I330-I333 PolarHBondContact O-N 3.05Å; I333-H335 VanDerWaalsContact C-N 3.33Å; I333-H335 PolarHBondContact O-N 3.04Å; I333-F336 PolarHBondContact O-N 3.29Å; I333-H337 PolarHBondContact O-CD2 2.76Å; I333-H337 VanDerWaalsContact O-CD2 3.28Å; I333-H337 PolarHBondContact O-N 3.09Å
334	L	92.9	Very high	91	Very high	89 Å²	89	92.9 Å²	92.9	47%	0.466	44%	0.438	S	S	.	.	H	α-helix	trans	-58.7	-44.7	177.2	-72.5	173.5	0	0	0	111.6	I330 F331 F336 H337 T338	I330-L334 HydrophobicContact CG2-CD1 3.91Å; I330-L334 HydrophobicContact CG2-CG 4.35Å; I330-L334 WeakPolarHBondContact O-CB 3.45Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.02Å; F331-L334 HydrophobicContact CD1-CD1 4.26Å; L334-F336 PolarHBondContact O-N 2.75Å; L334-H337 PolarHBondContact O-N 2.71Å; L334-T338 VanDerWaalsContact O-CG2 3.3Å; L334-T338 WeakPolarHBondContact O-CG2 3.43Å; L334-T338 PolarHBondContact O-N 3.03Å; L334-T338 PolarHBondContact O-OG1 2.85Å
335	H	92.3	Very high	90.7	Very high	40 Å²	40	97.8 Å²	97.8	19%	0.185	46%	0.459	C	S	.	.	H	α-helix	trans	-59.7	-47.5	176.4	-178.4	42.6	0	0	0	111.1	A33 F331 F332 I333 H337 T338 M339	A33-H335 HydrophobicContact CB-CB 4.04Å; F331-H335 VanDerWaalsContact O-CB 3.26Å; F331-H335 WeakPolarHBondContact O-CB 3.48Å; F331-H335 PolarHBondContact O-N 3.29Å; F332-H335 PolarHBondContact O-N 3.19Å; I333-H335 VanDerWaalsContact C-N 3.33Å; I333-H335 PolarHBondContact O-N 3.04Å; H335-H337 PolarHBondContact O-N 2.97Å; H335-T338 WeakPolarHBondContact CA-OG1 3.26Å; H335-T338 PolarHBondContact O-N 2.75Å; H335-T338 PolarHBondContact O-OG1 2.88Å; H335-M339 VanDerWaalsContact CE1-CG 3.5Å; H335-M339 WeakPolarHBondContact CE1-CG 3.47Å; H335-M339 VanDerWaalsContact O-CG 3.28Å; H335-M339 WeakPolarHBondContact O-CG 3.23Å; H335-M339 PolarHBondContact O-N 3.38Å
336	F	92.8	Very high	90.3	Very high	130 Å²	130	101.1 Å²	101.1	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-60.6	-45	178.4	-172.3	-96.1	0	0	0	112.5	F332 I333 L334 T338 M339 K340	F332-F336 WeakPolarHBondContact O-CB 3.2Å; F332-F336 PolarHBondContact O-N 2.05Å; I333-F336 PolarHBondContact O-N 3.29Å; L334-F336 PolarHBondContact O-N 2.75Å; F336-T338 PolarHBondContact O-N 2.93Å; F336-M339 PolarHBondContact O-N 3.35Å; F336-K340 PolarHBondContact O-N 3.27Å
337	H	92.4	Very high	89.9	Confident	101 Å²	101	101.1 Å²	101.1	47%	0.468	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-45	175	-86.1	-82.8	0	0	0	112.2	I333 L334 H335 M339 K340 H341	I333-H337 PolarHBondContact O-CD2 2.76Å; I333-H337 VanDerWaalsContact O-CD2 3.28Å; I333-H337 PolarHBondContact O-N 3.09Å; L334-H337 PolarHBondContact O-N 2.71Å; H335-H337 PolarHBondContact O-N 2.97Å; H337-M339 VanDerWaalsContact C-N 3.25Å; H337-M339 PolarHBondContact O-N 3.42Å; H337-K340 PolarHBondContact O-N 2.69Å; H337-H341 PolarHBondContact O-CD2 3.09Å; H337-H341 VanDerWaalsContact O-CD2 3.29Å; H337-H341 PolarHBondContact O-N 3Å
338	T	89.1	Confident	89.4	Confident	80 Å²	80	103.4 Å²	103.4	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-65.8	-27.6	177.8	59.2	0	0	0	0	113.4	L334 H335 F336	L334-T338 VanDerWaalsContact O-CG2 3.3Å; L334-T338 WeakPolarHBondContact O-CG2 3.43Å; L334-T338 PolarHBondContact O-N 3.03Å; L334-T338 PolarHBondContact O-OG1 2.85Å; H335-T338 WeakPolarHBondContact CA-OG1 3.26Å; H335-T338 PolarHBondContact O-N 2.75Å; H335-T338 PolarHBondContact O-OG1 2.88Å; F336-T338 PolarHBondContact O-N 2.93Å
339	M	87	Confident	88.9	Confident	102 Å²	102	110.8 Å²	110.8	50%	0.502	51%	0.513	S	S	.	.	H	α-helix	trans	-76.8	-34	175	-71.3	-68.3	-65.4	0	0	112.1	H335 F336 H337 H341 R342	H335-M339 VanDerWaalsContact CE1-CG 3.5Å; H335-M339 WeakPolarHBondContact CE1-CG 3.47Å; H335-M339 VanDerWaalsContact O-CG 3.28Å; H335-M339 WeakPolarHBondContact O-CG 3.23Å; H335-M339 PolarHBondContact O-N 3.38Å; F336-M339 PolarHBondContact O-N 3.35Å; H337-M339 VanDerWaalsContact C-N 3.25Å; H337-M339 PolarHBondContact O-N 3.42Å; M339-H341 VanDerWaalsContact C-N 3.32Å; M339-R342 PolarHBondContact O-N 2.73Å
340	K	81.1	Confident	88.3	Confident	160 Å²	160	111.9 Å²	111.9	70%	0.696	51%	0.514	S	S	*	.	H	α-helix	trans	-70	-28	177.8	-174.1	177.3	178.3	-177.9	0	113.3	F336 H337	F336-K340 PolarHBondContact O-N 3.27Å; H337-K340 PolarHBondContact O-N 2.69Å
341	H	73.5	Confident	87.7	Confident	162 Å²	162	114.8 Å²	114.8	75%	0.75	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	4.2	178.3	-75.1	-73.4	0	0	0	113.9	H337 M339	H337-H341 PolarHBondContact O-CD2 3.09Å; H337-H341 VanDerWaalsContact O-CD2 3.29Å; H337-H341 PolarHBondContact O-N 3Å; M339-H341 VanDerWaalsContact C-N 3.32Å
342	R	66.4	Low	87	Confident	265 Å²	265	119.7 Å²	119.7	100%	1	55%	0.547	S	S	*	.			trans	-103.6	0	167.3	-77.8	-178.2	176.2	-171.6	-1.7	109	M339	M339-R342 PolarHBondContact O-N 2.73Å

Retrieved 342 of 342 residues in 134.2 ms (Link to these results)

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